NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
41417 |
1x37   |
6615 | cing | 2-parsed | STAR | dihedral angle | 121 |
data_1x37_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1x37
_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_1x37 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1x37
_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 1x37 "Master copy" parsed_1x37
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1x37
_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 1x37.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1x37 1
1 1x37.mr . . XPLOR/CNS 2 distance NOE simple 1036 parsed_1x37 1
1 1x37.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 121 parsed_1x37 1
1 1x37.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1x37 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1x37
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -75.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1x37 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1x37 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1x37 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1x37 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1x37 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1x37 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1x37 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1x37 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1x37 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1x37 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1x37 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1x37 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1x37 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1x37 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1x37 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1x37 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1x37 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1x37 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1x37 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1x37 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1x37 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1x37 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1x37 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1x37 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1x37 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1x37 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1x37 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1x37 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1x37 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1x37 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1x37 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1x37 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1x37 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1x37 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1x37 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1x37 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1x37 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1x37 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1x37 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1x37 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1x37 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1x37 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1x37 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1x37 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1x37 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1x37 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1x37 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1x37 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1x37 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1x37 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1x37 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1x37 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1x37 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1x37 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1x37 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1x37 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1x37 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -65.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1x37 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_1x37 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1x37 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_1x37 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_1x37 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1x37 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_1x37 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -65.0 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_1x37 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_1x37 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_1x37 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_1x37 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_1x37 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_1x37 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_1x37 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_1x37 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_1x37 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_1x37 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_1x37 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_1x37 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_1x37 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_1x37 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_1x37 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_1x37 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_1x37 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_1x37 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_1x37 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1x37 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_1x37 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_1x37 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1x37 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_1x37 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_1x37 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_1x37 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1x37 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1x37 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_1x37 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1x37 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1x37 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1x37 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1x37 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_1x37 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_1x37 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_1x37 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_1x37 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_1x37 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_1x37 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1x37 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1x37 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_1x37 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_1x37 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_1x37 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_1x37 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_1x37 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_1x37 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_1x37 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_1x37 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_1x37 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_1x37 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_1x37 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 84 . n . 84 . ca . 84 . c . 85 . n parsed_1x37 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_1x37 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_1x37 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_1x37 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 88 . n . 88 . ca . 88 . c . 89 . n parsed_1x37 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 restraints (generated on 04/22/05 by I.Wang)
for BsSSD domain
;
3 1 4 58 parsed_1x37 1
2 "! Y3" 5 1 5 83 parsed_1x37 1
3 "! E5" 8 1 8 7 parsed_1x37 1
4 "! I6" 11 1 11 7 parsed_1x37 1
5 "! E7" 14 1 14 7 parsed_1x37 1
6 "! K8" 17 1 17 8 parsed_1x37 1
7 "! L9" 20 1 20 8 parsed_1x37 1
8 "! E10" 23 1 23 8 parsed_1x37 1
9 "! I11" 26 1 26 8 parsed_1x37 1
10 "! V12" 29 1 29 8 parsed_1x37 1
11 "! K13" 32 1 32 8 parsed_1x37 1
12 "! D14" 35 1 35 8 parsed_1x37 1
13 "! H15" 38 1 38 8 parsed_1x37 1
14 "! L16" 41 1 41 8 parsed_1x37 1
15 "! L17" 44 1 44 8 parsed_1x37 1
16 "! P18" 47 1 47 8 parsed_1x37 1
17 "! K19" 50 1 50 8 parsed_1x37 1
18 "! Q20" 53 1 53 8 parsed_1x37 1
19 "! I21" 56 1 56 8 parsed_1x37 1
20 "! K22" 59 1 59 8 parsed_1x37 1
21 "! E23" 62 1 62 8 parsed_1x37 1
22 "! H24" 65 1 65 8 parsed_1x37 1
23 "! G25" 68 1 68 8 parsed_1x37 1
24 "! L26" 71 1 71 8 parsed_1x37 1
25 "! K28" 74 1 74 84 parsed_1x37 1
26 "! N30 [4/25]" 77 1 77 79 parsed_1x37 1
27 "! L31 [4/22]" 80 1 80 84 parsed_1x37 1
28 "! Q32 [4/22]" 83 1 83 84 parsed_1x37 1
29 "! D35" 86 1 86 8 parsed_1x37 1
30 "! Q36" 89 1 89 8 parsed_1x37 1
31 "! A37" 92 1 92 8 parsed_1x37 1
32 "! I38" 95 1 95 8 parsed_1x37 1
33 "! L39" 98 1 98 8 parsed_1x37 1
34 "! D40" 101 1 101 8 parsed_1x37 1
35 "! I41" 104 1 104 8 parsed_1x37 1
36 "! I42" 107 1 107 8 parsed_1x37 1
37 "! R43" 110 1 110 8 parsed_1x37 1
38 "! Y44" 113 1 113 8 parsed_1x37 1
39 "! V51" 116 1 116 8 parsed_1x37 1
40 "! R52" 119 1 119 8 parsed_1x37 1
41 "! S53" 122 1 122 8 parsed_1x37 1
42 "! L54" 125 1 125 8 parsed_1x37 1
43 "! E55" 128 1 128 8 parsed_1x37 1
44 "! R56" 131 1 131 8 parsed_1x37 1
45 "! Q57" 134 1 134 8 parsed_1x37 1
46 "! L58" 137 1 137 8 parsed_1x37 1
47 "! A59" 140 1 140 8 parsed_1x37 1
48 "! A60" 143 1 143 8 parsed_1x37 1
49 "! I61" 146 1 146 8 parsed_1x37 1
50 "! C62" 149 1 149 8 parsed_1x37 1
51 "! R63" 152 1 152 8 parsed_1x37 1
52 "! K64" 155 1 155 9 parsed_1x37 1
53 "! A65" 158 1 158 8 parsed_1x37 1
54 "! A66" 161 1 161 8 parsed_1x37 1
55 "! K67" 164 1 164 8 parsed_1x37 1
56 "! I69" 167 1 167 83 parsed_1x37 1
57 "! V70" 170 1 170 70 parsed_1x37 1
58 "! A71" 173 1 173 79 parsed_1x37 1
59 "! I77" 176 1 176 80 parsed_1x37 1
60 "! N83" 179 1 179 8 parsed_1x37 1
61 "! L84" 182 1 182 8 parsed_1x37 1
62 "! Q85" 185 1 185 8 parsed_1x37 1
63 "! D86" 188 1 188 8 parsed_1x37 1
64 "! F87" 191 1 191 8 parsed_1x37 1
65 "! I88" 194 1 194 8 parsed_1x37 1
66 "! R94" 197 1 197 83 parsed_1x37 1
67
;
! Psi dihedral angles
! E5
;
202 1 203 7 parsed_1x37 1
68 "! I6" 206 1 206 7 parsed_1x37 1
69 "! E7" 209 1 209 7 parsed_1x37 1
70 "! K8" 212 1 212 8 parsed_1x37 1
71 "! L9" 215 1 215 8 parsed_1x37 1
72 "! E10" 218 1 218 8 parsed_1x37 1
73 "! I11" 221 1 221 8 parsed_1x37 1
74 "! V12" 224 1 224 8 parsed_1x37 1
75 "! K13" 227 1 227 8 parsed_1x37 1
76 "! D14" 230 1 230 8 parsed_1x37 1
77 "! H15" 233 1 233 8 parsed_1x37 1
78 "! L16" 236 1 236 8 parsed_1x37 1
79 "! L17" 239 1 239 8 parsed_1x37 1
80 "! P18" 242 1 242 8 parsed_1x37 1
81 "! K19" 245 1 245 8 parsed_1x37 1
82 "! Q20" 248 1 248 8 parsed_1x37 1
83 "! I21" 251 1 251 8 parsed_1x37 1
84 "! K22" 254 1 254 8 parsed_1x37 1
85 "! E23" 257 1 257 8 parsed_1x37 1
86 "! H24" 260 1 260 8 parsed_1x37 1
87 "! G25" 263 1 263 8 parsed_1x37 1
88 "! L26" 266 1 266 8 parsed_1x37 1
89
;
! L31
assign (resid 30 and name n ) (resid 31 and name ca)
(resid 31 and name c ) (resid 31 and name n ) 1.0 130.0 30.0 2
! Q32
assign (resid 31 and name n ) (resid 32 and name ca)
(resid 32 and name c ) (resid 32 and name n ) 1.0 130.0 30.0 2
! D35
;
269 1 275 8 parsed_1x37 1
90 "! Q36" 278 1 278 8 parsed_1x37 1
91 "! A37" 281 1 281 8 parsed_1x37 1
92 "! I38" 284 1 284 8 parsed_1x37 1
93 "! L39" 287 1 287 8 parsed_1x37 1
94 "! D40" 290 1 290 8 parsed_1x37 1
95 "! I41" 293 1 293 8 parsed_1x37 1
96 "! I42" 296 1 296 8 parsed_1x37 1
97 "! R43" 299 1 299 8 parsed_1x37 1
98 "! Y44" 302 1 302 8 parsed_1x37 1
99 "! V51" 305 1 305 8 parsed_1x37 1
100 "! R52" 308 1 308 8 parsed_1x37 1
101 "! S53" 311 1 311 8 parsed_1x37 1
102 "! L54" 314 1 314 8 parsed_1x37 1
103 "! E55" 317 1 317 8 parsed_1x37 1
104 "! R56" 320 1 320 8 parsed_1x37 1
105 "! Q57" 323 1 323 8 parsed_1x37 1
106 "! L58" 326 1 326 8 parsed_1x37 1
107 "! A59" 329 1 329 8 parsed_1x37 1
108 "! A60" 332 1 332 8 parsed_1x37 1
109 "! I61" 335 1 335 8 parsed_1x37 1
110 "! C62" 338 1 338 8 parsed_1x37 1
111 "! R63" 341 1 341 8 parsed_1x37 1
112 "! K64" 344 1 344 9 parsed_1x37 1
113 "! A65" 347 1 347 8 parsed_1x37 1
114 "! A66" 350 1 350 8 parsed_1x37 1
115 "! K67" 353 1 353 8 parsed_1x37 1
116 "! I77" 356 1 356 68 parsed_1x37 1
117 "! N83" 359 1 359 8 parsed_1x37 1
118 "! L84" 362 1 362 8 parsed_1x37 1
119 "! Q85" 365 1 365 8 parsed_1x37 1
120 "! D86" 368 1 368 8 parsed_1x37 1
121 "! F87" 371 1 371 8 parsed_1x37 1
122 "! I88" 374 1 374 8 parsed_1x37 1
stop_
save_
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