NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
43383 |
2apn   |
5963 | cing | 2-parsed | STAR | dihedral angle | 107 |
data_2apn_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2apn
_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_2apn 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2apn
_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 2apn "Master copy" parsed_2apn
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2apn
_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 2apn.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2apn 1
1 2apn.mr . . XPLOR/CNS 2 distance NOE simple 1748 parsed_2apn 1
1 2apn.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 107 parsed_2apn 1
1 2apn.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2apn 1
1 2apn.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2apn 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2apn
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2apn 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2apn 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2apn 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2apn 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2apn 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2apn 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2apn 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2apn 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2apn 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2apn 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2apn 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2apn 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2apn 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2apn 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2apn 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2apn 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2apn 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2apn 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2apn 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2apn 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2apn 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2apn 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2apn 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2apn 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2apn 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2apn 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2apn 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2apn 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_2apn 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_2apn 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2apn 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2apn 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2apn 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2apn 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2apn 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2apn 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_2apn 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_2apn 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2apn 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2apn 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_2apn 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_2apn 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2apn 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2apn 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2apn 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2apn 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2apn 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2apn 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2apn 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2apn 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_2apn 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_2apn 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2apn 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2apn 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2apn 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2apn 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2apn 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2apn 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2apn 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2apn 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2apn 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2apn 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2apn 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2apn 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2apn 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2apn 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2apn 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2apn 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2apn 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2apn 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2apn 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2apn 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2apn 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2apn 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2apn 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2apn 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2apn 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2apn 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2apn 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2apn 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2apn 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2apn 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2apn 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2apn 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2apn 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2apn 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2apn 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2apn 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2apn 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2apn 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2apn 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2apn 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_2apn 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_2apn 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_2apn 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_2apn 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2apn 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2apn 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2apn 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2apn 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -223 -31 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2apn 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 184 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2apn 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200 -50 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2apn 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2apn 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2apn 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -60.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2apn 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2apn 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 "PHI restraint" 3 57 3 71 parsed_2apn 1
2
;
TALOS restraints
ASP13
;
1 1 2 7 parsed_2apn 1
3 "PSI restraint" 5 58 5 72 parsed_2apn 1
4 "PHI restraint" 8 57 8 71 parsed_2apn 1
5 ALA14 7 1 7 7 parsed_2apn 1
6 "PSI restraint" 10 58 10 72 parsed_2apn 1
7 "PHI restraint" 13 57 13 71 parsed_2apn 1
8 ALA15 12 1 12 7 parsed_2apn 1
9 "PSI restraint" 15 58 15 72 parsed_2apn 1
10 "PHI restraint" 18 57 18 71 parsed_2apn 1
11 ALA16 17 1 17 7 parsed_2apn 1
12 "PSI restraint" 20 58 20 72 parsed_2apn 1
13 "PHI restraint" 23 57 23 71 parsed_2apn 1
14 ASN17 22 1 22 7 parsed_2apn 1
15 "PSI restraint" 25 58 25 72 parsed_2apn 1
16 "PHI restraint" 28 57 28 71 parsed_2apn 1
17 LYS18 27 1 27 7 parsed_2apn 1
18 "PSI restraint" 30 58 30 72 parsed_2apn 1
19 "PHI restraint" 33 57 33 71 parsed_2apn 1
20 VAL19 32 1 32 7 parsed_2apn 1
21 "PSI restraint" 35 58 35 72 parsed_2apn 1
22 "PHI restraint" 38 57 38 71 parsed_2apn 1
23 LYS20 37 1 37 7 parsed_2apn 1
24 "PSI restraint" 40 58 40 72 parsed_2apn 1
25 "PHI restraint" 43 57 43 71 parsed_2apn 1
26 SER21 42 1 42 7 parsed_2apn 1
27 "PSI restraint" 45 58 45 72 parsed_2apn 1
28 "PHI restraint" 48 57 48 71 parsed_2apn 1
29 LEU22 47 1 47 7 parsed_2apn 1
30 "PSI restraint" 50 58 50 72 parsed_2apn 1
31 "PHI restraint" 53 57 53 71 parsed_2apn 1
32 ILE23 52 1 52 7 parsed_2apn 1
33 "PSI restraint" 55 58 55 72 parsed_2apn 1
34 "PHI restraint" 58 57 58 71 parsed_2apn 1
35 SER24 57 1 57 7 parsed_2apn 1
36 "PSI restraint" 60 58 60 72 parsed_2apn 1
37 "PHI restraint" 63 57 63 71 parsed_2apn 1
38 GLU25 62 1 62 7 parsed_2apn 1
39 "PSI restraint" 65 58 65 72 parsed_2apn 1
40 "PHI restraint" 68 57 68 71 parsed_2apn 1
41 GLU26 67 1 67 7 parsed_2apn 1
42 "PSI restraint" 70 58 70 72 parsed_2apn 1
43 "PHI restraint" 73 57 73 71 parsed_2apn 1
44 MET74 72 1 72 7 parsed_2apn 1
45 "PSI restraint" 75 58 75 72 parsed_2apn 1
46 "PHI restraint" 78 57 78 71 parsed_2apn 1
47 SER75 77 1 77 7 parsed_2apn 1
48 "PSI restraint" 80 58 80 72 parsed_2apn 1
49 "PHI restraint" 83 57 83 71 parsed_2apn 1
50 LEU76 82 1 82 7 parsed_2apn 1
51 "PSI restraint" 85 58 85 72 parsed_2apn 1
52 "PHI restraint" 88 57 88 71 parsed_2apn 1
53 GLN77 87 1 87 7 parsed_2apn 1
54 "PSI restraint" 90 58 90 72 parsed_2apn 1
55 "PHI restraint" 93 57 93 71 parsed_2apn 1
56 TYR78 92 1 92 7 parsed_2apn 1
57 "PSI restraint" 95 58 95 72 parsed_2apn 1
58 "PHI restraint" 98 57 98 71 parsed_2apn 1
59 LEU79 97 1 97 7 parsed_2apn 1
60 "PSI restraint" 100 58 100 72 parsed_2apn 1
61 "PHI restraint" 103 57 103 71 parsed_2apn 1
62 LEU60 102 1 102 7 parsed_2apn 1
63 "PSI restraint" 105 58 105 72 parsed_2apn 1
64 "PHI restraint" 108 57 108 71 parsed_2apn 1
65 THR61 107 1 107 7 parsed_2apn 1
66 "PSI restraint" 110 58 110 72 parsed_2apn 1
67 "PHI restraint" 113 57 113 71 parsed_2apn 1
68 ILE62 112 1 112 7 parsed_2apn 1
69 "PSI restraint" 115 58 115 72 parsed_2apn 1
70 "PHI restraint" 118 57 118 71 parsed_2apn 1
71 GLU63 117 1 117 7 parsed_2apn 1
72 "PSI restraint" 120 58 120 72 parsed_2apn 1
73 "PHI restraint" 123 57 123 71 parsed_2apn 1
74 GLN68 122 1 122 7 parsed_2apn 1
75 "PSI restraint" 125 58 125 72 parsed_2apn 1
76 "PHI restraint" 128 57 128 71 parsed_2apn 1
77 LEU69 127 1 127 7 parsed_2apn 1
78 "PSI restraint" 130 58 130 72 parsed_2apn 1
79 "PHI restraint" 133 57 133 71 parsed_2apn 1
80 VAL70 132 1 132 7 parsed_2apn 1
81 "PSI restraint" 135 58 135 72 parsed_2apn 1
82 "PHI restraint" 138 57 138 71 parsed_2apn 1
83 ILE71 137 1 137 7 parsed_2apn 1
84 "PSI restraint" 140 58 140 72 parsed_2apn 1
85 "PHI restraint" 143 57 143 71 parsed_2apn 1
86 LEU33 142 1 142 7 parsed_2apn 1
87 "PSI restraint" 145 58 145 72 parsed_2apn 1
88 "PHI restraint" 148 57 148 71 parsed_2apn 1
89 ARG34 147 1 147 7 parsed_2apn 1
90 "PSI restraint" 150 58 150 72 parsed_2apn 1
91 "PHI restraint" 153 57 153 71 parsed_2apn 1
92 VAL35 152 1 152 7 parsed_2apn 1
93 "PSI restraint" 155 58 155 72 parsed_2apn 1
94 "PHI restraint" 158 57 158 71 parsed_2apn 1
95 TYR36 157 1 157 7 parsed_2apn 1
96 "PSI restraint" 160 58 160 72 parsed_2apn 1
97 "PHI restraint" 163 57 163 71 parsed_2apn 1
98 ILE37 162 1 162 7 parsed_2apn 1
99 "PSI restraint" 165 58 165 72 parsed_2apn 1
100 "PHI restraint" 168 57 168 71 parsed_2apn 1
101 GLY48 167 1 167 7 parsed_2apn 1
102 "PSI restraint" 170 58 170 72 parsed_2apn 1
103 "PHI restraint" 173 57 173 71 parsed_2apn 1
104 PHE49 172 1 172 7 parsed_2apn 1
105 "PSI restraint" 175 58 175 72 parsed_2apn 1
106 "PHI restraint" 178 57 178 71 parsed_2apn 1
107 THR50 177 1 177 7 parsed_2apn 1
108 "PSI restraint" 180 58 180 72 parsed_2apn 1
109 "PHI restraint" 183 57 183 71 parsed_2apn 1
110 PHE51 182 1 182 7 parsed_2apn 1
111 "PSI restraint" 185 58 185 72 parsed_2apn 1
112 "PHI restraint" 188 57 188 71 parsed_2apn 1
113 LEU9 187 1 187 6 parsed_2apn 1
114 "PSI restraint" 190 58 190 72 parsed_2apn 1
115 "PHI restraint" 193 57 193 71 parsed_2apn 1
116 THR10 192 1 192 7 parsed_2apn 1
117 "PSI restraint" 195 58 195 72 parsed_2apn 1
118 "PHI restraint" 198 57 198 71 parsed_2apn 1
119 PHE11 197 1 197 7 parsed_2apn 1
120 "PSI restraint" 200 58 200 72 parsed_2apn 1
121 "PHI restraint" 203 57 203 71 parsed_2apn 1
122 THR83 202 1 202 7 parsed_2apn 1
123 "PSI restraint" 205 58 205 72 parsed_2apn 1
124 "PHI restraint" 208 57 208 71 parsed_2apn 1
125 VAL84 207 1 207 7 parsed_2apn 1
126 "PSI restraint" 210 58 210 72 parsed_2apn 1
127 "PHI restraint" 213 57 213 71 parsed_2apn 1
128 ASP85 212 1 212 7 parsed_2apn 1
129 "PSI restraint" 215 58 215 72 parsed_2apn 1
130 "PHI restraint" 218 57 218 71 parsed_2apn 1
131 TYR86 217 1 217 7 parsed_2apn 1
132 "PSI restraint" 220 58 220 72 parsed_2apn 1
133 "PHI restraint" 223 57 223 71 parsed_2apn 1
134 THR87 222 1 222 7 parsed_2apn 1
135 "PSI restraint" 225 58 225 72 parsed_2apn 1
136 "PHI restraint" 228 57 228 71 parsed_2apn 1
137 SER93 227 1 227 7 parsed_2apn 1
138 "PSI restraint" 230 58 230 72 parsed_2apn 1
139 "PHI restraint" 233 57 233 71 parsed_2apn 1
140 ARG94 232 1 232 7 parsed_2apn 1
141 "PSI restraint" 235 58 235 72 parsed_2apn 1
142 "PHI restraint" 238 57 238 71 parsed_2apn 1
143 PHE95 237 1 237 7 parsed_2apn 1
144 "PSI restraint" 240 58 240 72 parsed_2apn 1
145 "PHI restraint" 243 57 243 71 parsed_2apn 1
146 THR96 242 1 242 7 parsed_2apn 1
147 "PSI restraint" 245 58 245 72 parsed_2apn 1
148 "PHI restraint" 248 57 248 71 parsed_2apn 1
149 VAL97 247 1 247 7 parsed_2apn 1
150 "PSI restraint" 250 58 250 72 parsed_2apn 1
151
;
added061505
assign ( resid 29 and name n ) ( resid 29 and name ca )
( resid 29 and name c ) ( resid 30 and name n ) 1.0 -12 78 2
assign ( resid 31 and name c ) ( resid 32 and name n )
( resid 32 and name ca ) ( resid 32 and name c ) 1.0 -116 45 2
;
252 1 256 72 parsed_2apn 1
152
;
assign ( resid 55 and name c ) ( resid 56 and name n )
( resid 56 and name ca ) ( resid 56 and name c ) 1.0 -118 63 2
;
259 1 260 72 parsed_2apn 1
153 "PHI restraint" 268 57 268 71 parsed_2apn 1
154
;
assign ( resid 80 and name c ) ( resid 81 and name n )
( resid 81 and name ca ) ( resid 81 and name c ) 1.0 -130 54 2
change 80 as turn 2
;
265 1 267 21 parsed_2apn 1
155 "PSI restraint" 270 58 270 72 parsed_2apn 1
156 "PHI restraint" 278 57 278 71 parsed_2apn 1
157
;
add 31 as turn
assign (resid 30 and name C) (resid 31 and name N) !PHI restraint
(resid 31 and name CA) (resid 31 and name C) 1.0 -65.0 55.0 2
assign (resid 31 and name N) (resid 31 and name CA) !PSI restraint
(resid 31 and name C) (resid 32 and name N) 1.0 0.0 30.0 2
add 31 as beta
;
272 1 277 16 parsed_2apn 1
158 "PSI restraint" 280 58 280 72 parsed_2apn 1
stop_
save_
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