NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
37551 |
1ps2   |
4933 | cing | 2-parsed | STAR | dihedral angle | 137 |
data_1ps2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ps2
_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_1ps2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ps2
_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 1ps2 "Master copy" parsed_1ps2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ps2
_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 1ps2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ps2 1
1 1ps2.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1ps2 1
1 1ps2.mr . . XPLOR/CNS 3 distance NOE simple 237 parsed_1ps2 1
1 1ps2.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1ps2 1
1 1ps2.mr . . XPLOR/CNS 5 distance NOE simple 345 parsed_1ps2 1
1 1ps2.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1ps2 1
1 1ps2.mr . . XPLOR/CNS 7 distance NOE ambi 41 parsed_1ps2 1
1 1ps2.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1ps2 1
1 1ps2.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 16 parsed_1ps2 1
1 1ps2.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 137 parsed_1ps2 1
1 1ps2.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ps2 1
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ps2
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1ps2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1ps2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1ps2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1ps2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1ps2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1ps2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1ps2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1ps2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 0.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1ps2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1ps2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1ps2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1ps2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1ps2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -45.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1ps2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1ps2 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1ps2 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1ps2 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1ps2 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1ps2 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1ps2 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1ps2 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -50.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1ps2 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -50.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1ps2 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -50.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1ps2 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1ps2 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -90.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1ps2 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1ps2 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -40.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1ps2 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1ps2 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1ps2 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1ps2 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -35.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1ps2 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -60.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1ps2 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1ps2 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -30.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1ps2 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -120.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1ps2 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1ps2 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1ps2 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -75.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1ps2 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1ps2 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1ps2 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1ps2 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1ps2 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1ps2 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1ps2 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1ps2 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 185.0 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_1ps2 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 200.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_1ps2 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 185.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_1ps2 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_1ps2 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 45.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_1ps2 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 210.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_1ps2 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 190.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_1ps2 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_1ps2 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -15.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_1ps2 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_1ps2 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 60.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_1ps2 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 170.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_1ps2 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_1ps2 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 150.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_1ps2 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 40.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_1ps2 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 190.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_1ps2 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -10.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_1ps2 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 190.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_1ps2 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 195.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1ps2 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -10.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_1ps2 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1ps2 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 10.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_1ps2 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 0.0 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_1ps2 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -5.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_1ps2 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 120.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_1ps2 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 200.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_1ps2 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 155.0 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_1ps2 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_1ps2 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_1ps2 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -5.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_1ps2 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 175.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1ps2 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 200.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1ps2 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 190.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1ps2 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 180.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1ps2 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1ps2 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.0 165.0 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1ps2 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 190.0 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1ps2 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 215.0 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1ps2 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 215.0 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1ps2 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 180.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1ps2 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1ps2 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 170.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_1ps2 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 195.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_1ps2 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_1ps2 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_1ps2 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_1ps2 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1ps2 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1ps2 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 180.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_1ps2 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1ps2 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.0 85.0 . . 4 . n . 4 . ca . 4 . cb . 4 . og1 parsed_1ps2 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_1ps2 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -20.0 . . 6 . n . 6 . ca . 6 . cb . 6 . og1 parsed_1ps2 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 7 . n . 7 . ca . 7 . cb . 7 . sg parsed_1ps2 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 8 . n . 8 . ca . 8 . cb . 8 . og1 parsed_1ps2 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg1 parsed_1ps2 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1ps2 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1ps2 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -30.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_1ps2 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 220.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_1ps2 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 17 . n . 17 . ca . 17 . cb . 17 . sg parsed_1ps2 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 80.0 . . 19 . n . 19 . ca . 19 . cb . 19 . cg parsed_1ps2 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 75.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1ps2 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg1 parsed_1ps2 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 80.0 . . 23 . n . 23 . ca . 23 . cb . 23 . og1 parsed_1ps2 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 65.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1ps2 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -30.0 . . 26 . n . 26 . ca . 26 . cb . 26 . cg parsed_1ps2 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.0 -135.0 . . 27 . n . 27 . ca . 27 . cb . 27 . sg parsed_1ps2 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_1ps2 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 32 . n . 32 . ca . 32 . cb . 32 . sg parsed_1ps2 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . n . 33 . ca . 33 . cb . 33 . sg parsed_1ps2 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 34 . n . 34 . ca . 34 . cb . 34 . cg parsed_1ps2 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 200.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_1ps2 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1ps2 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 85.0 . . 37 . n . 37 . ca . 37 . cb . 37 . og1 parsed_1ps2 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.0 215.0 . . 38 . n . 38 . ca . 38 . cb . 38 . cg1 parsed_1ps2 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg1 parsed_1ps2 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 75.0 . . 42 . n . 42 . ca . 42 . cb . 42 . cg parsed_1ps2 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1ps2 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 44 . n . 44 . ca . 44 . cb . 44 . sg parsed_1ps2 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1ps2 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg parsed_1ps2 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 75.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg parsed_1ps2 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1ps2 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 95.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_1ps2 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 50 . n . 50 . ca . 50 . cb . 50 . cg1 parsed_1ps2 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 52 . n . 52 . ca . 52 . cb . 52 . cg1 parsed_1ps2 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 14 . ca . 14 . cb . 14 . cg . 14 . cd parsed_1ps2 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 50 . ca . 50 . cb . 50 . cg1 . 50 . cd1 parsed_1ps2 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 14 . cb . 14 . cg . 14 . cd . 14 . ne parsed_1ps2 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 14 . cg . 14 . cd . 14 . ne . 14 . cz parsed_1ps2 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 constraints for pS2 structure calulation - XPLOR format
PHI angles
Ala-2
;
1 1 7 9 parsed_1ps2 1
2 Gln-3 10 1 10 9 parsed_1ps2 1
3 Thr-4 13 1 13 9 parsed_1ps2 1
4 Glu-5 16 1 16 9 parsed_1ps2 1
5 Thr-6 19 1 19 9 parsed_1ps2 1
6 Cys-7 22 1 22 9 parsed_1ps2 1
7 Thr-8 25 1 25 10 parsed_1ps2 1
8 Val-9 28 1 28 10 parsed_1ps2 1
9 Ala-10 31 1 31 9 parsed_1ps2 1
10 Arg-12 34 1 34 9 parsed_1ps2 1
11 Gln-15 37 1 37 9 parsed_1ps2 1
12 Asn-16 40 1 40 9 parsed_1ps2 1
13 Cys-17 43 1 43 9 parsed_1ps2 1
14 Phe-19 46 1 46 9 parsed_1ps2 1
15 Val-22 49 1 49 9 parsed_1ps2 1
16 Thr-23 52 1 52 9 parsed_1ps2 1
17 Ser-25 55 1 55 9 parsed_1ps2 1
18 Gln-26 58 1 58 9 parsed_1ps2 1
19 Cys-27 61 1 61 9 parsed_1ps2 1
20 Ala-28 64 1 64 9 parsed_1ps2 1
21 Asn-29 67 1 67 9 parsed_1ps2 1
22 Lys-30 70 1 70 9 parsed_1ps2 1
23 Cys-32 73 1 73 9 parsed_1ps2 1
24 Cys-33 76 1 76 9 parsed_1ps2 1
25 Phe-34 79 1 79 9 parsed_1ps2 1
26 Asp-35 82 1 82 10 parsed_1ps2 1
27 Asp-36 85 1 85 10 parsed_1ps2 1
28 Thr-37 88 1 88 10 parsed_1ps2 1
29 Val-38 91 1 91 10 parsed_1ps2 1
30 Arg-39 94 1 94 10 parsed_1ps2 1
31 Val-41 97 1 97 10 parsed_1ps2 1
32 Trp-43 100 1 100 10 parsed_1ps2 1
33 Cys-44 103 1 103 10 parsed_1ps2 1
34 Phe-45 106 1 106 10 parsed_1ps2 1
35 Tyr-46 109 1 109 10 parsed_1ps2 1
36 Asn-48 112 1 112 10 parsed_1ps2 1
37 Thr-49 115 1 115 10 parsed_1ps2 1
38 Ile-50 118 1 118 10 parsed_1ps2 1
39 Asp-51 121 1 121 10 parsed_1ps2 1
40 Val-52 124 1 124 10 parsed_1ps2 1
41 Glu-55 127 1 127 10 parsed_1ps2 1
42 Glu-56 130 1 130 10 parsed_1ps2 1
43 Glu-57 133 1 133 10 parsed_1ps2 1
44 Ser-58 136 1 136 10 parsed_1ps2 1
45 Glu-59 139 1 139 10 parsed_1ps2 1
46 Phe-60 142 1 142 10 parsed_1ps2 1
47
;
PSI angles
Gln-3
;
145 1 149 8 parsed_1ps2 1
48 Thr-4 152 1 152 8 parsed_1ps2 1
49 Glu-5 155 1 155 8 parsed_1ps2 1
50 Thr-6 158 1 158 8 parsed_1ps2 1
51 Cys-7 161 1 161 8 parsed_1ps2 1
52 Thr-8 164 1 164 8 parsed_1ps2 1
53 Val-9 167 1 167 8 parsed_1ps2 1
54 Ala-10 170 1 170 9 parsed_1ps2 1
55 Pro-11 173 1 173 9 parsed_1ps2 1
56 Arg-12 176 1 176 9 parsed_1ps2 1
57 Glu-13 179 1 179 9 parsed_1ps2 1
58 Arg-14 182 1 182 9 parsed_1ps2 1
59 Gln-15 185 1 185 9 parsed_1ps2 1
60 Asn-16 188 1 188 9 parsed_1ps2 1
61 Cys-17 191 1 191 9 parsed_1ps2 1
62 Phe-19 194 1 194 9 parsed_1ps2 1
63 Pro-20 197 1 197 9 parsed_1ps2 1
64 Val-22 200 1 200 9 parsed_1ps2 1
65 Thr-23 203 1 203 9 parsed_1ps2 1
66 Ser-25 206 1 206 9 parsed_1ps2 1
67 Gln-26 209 1 209 9 parsed_1ps2 1
68 Cys-27 212 1 212 9 parsed_1ps2 1
69 Ala-28 215 1 215 9 parsed_1ps2 1
70 Asn-29 218 1 218 9 parsed_1ps2 1
71 Lys-30 221 1 221 9 parsed_1ps2 1
72 Cys-32 224 1 224 9 parsed_1ps2 1
73 Cys-33 227 1 227 9 parsed_1ps2 1
74 Phe-34 230 1 230 9 parsed_1ps2 1
75 Asp-35 233 1 233 9 parsed_1ps2 1
76 Thr-37 236 1 236 9 parsed_1ps2 1
77 Val-38 239 1 239 9 parsed_1ps2 1
78 Arg-39 242 1 242 9 parsed_1ps2 1
79 Val-41 245 1 245 9 parsed_1ps2 1
80 Pro-42 248 1 248 9 parsed_1ps2 1
81 Trp-43 251 1 251 9 parsed_1ps2 1
82 Cys-44 254 1 254 9 parsed_1ps2 1
83 Phe-45 257 1 257 9 parsed_1ps2 1
84 Tyr-46 260 1 260 10 parsed_1ps2 1
85 Pro-47 263 1 263 9 parsed_1ps2 1
86 Asn-48 266 1 266 9 parsed_1ps2 1
87 Thr-49 269 1 269 9 parsed_1ps2 1
88 Ile-50 272 1 272 9 parsed_1ps2 1
89 Asp-51 275 1 275 9 parsed_1ps2 1
90 Val-52 278 1 278 9 parsed_1ps2 1
91 Glu-55 281 1 281 9 parsed_1ps2 1
92 Glu-56 284 1 284 9 parsed_1ps2 1
93 Glu-57 287 1 287 9 parsed_1ps2 1
94 Ser-58 290 1 290 9 parsed_1ps2 1
95 Glu-59 293 1 293 9 parsed_1ps2 1
96
;
CHI-1 angles
Gln-3
;
296 1 301 8 parsed_1ps2 1
97 Thr-4 304 1 304 8 parsed_1ps2 1
98 Glu-5 307 1 307 8 parsed_1ps2 1
99 Thr-6 310 1 310 8 parsed_1ps2 1
100 Cys-7 313 1 313 8 parsed_1ps2 1
101 Thr-8 316 1 316 8 parsed_1ps2 1
102 Val-9 319 1 319 8 parsed_1ps2 1
103 Pro-11 322 1 322 9 parsed_1ps2 1
104 Glu-13 325 1 325 9 parsed_1ps2 1
105 Arg-14 328 1 328 9 parsed_1ps2 1
106 Glu-16 331 1 331 9 parsed_1ps2 1
107 Cys-17 334 1 334 9 parsed_1ps2 1
108 Phe-19 337 1 337 9 parsed_1ps2 1
109 Pro-20 340 1 340 9 parsed_1ps2 1
110 Val-22 343 1 343 9 parsed_1ps2 1
111 Thr-23 346 1 346 9 parsed_1ps2 1
112 Pro-24 349 1 349 9 parsed_1ps2 1
113 Gln-26 352 1 352 9 parsed_1ps2 1
114 Cys-27 355 1 355 9 parsed_1ps2 1
115 Asn-29 358 1 358 9 parsed_1ps2 1
116 Cys-32 361 1 361 9 parsed_1ps2 1
117 Cys-33 364 1 364 9 parsed_1ps2 1
118 Phe-34 367 1 367 9 parsed_1ps2 1
119 Asp-35 370 1 370 9 parsed_1ps2 1
120 Asp-36 373 1 373 9 parsed_1ps2 1
121 Thr-37 376 1 376 9 parsed_1ps2 1
122 Val-38 379 1 379 9 parsed_1ps2 1
123 Val-41 382 1 382 9 parsed_1ps2 1
124 Pro-42 385 1 385 9 parsed_1ps2 1
125 Trp-43 388 1 388 9 parsed_1ps2 1
126 Cys-44 391 1 391 9 parsed_1ps2 1
127 Phe-45 394 1 394 9 parsed_1ps2 1
128 Tyr-46 397 1 397 9 parsed_1ps2 1
129 Pro-47 400 1 400 9 parsed_1ps2 1
130 Asn-48 403 1 403 9 parsed_1ps2 1
131 Thr-49 406 1 406 9 parsed_1ps2 1
132 Ile-50 409 1 409 9 parsed_1ps2 1
133 Val-52 412 1 412 9 parsed_1ps2 1
134
;
CHI-2 angles
Arg-14
;
415 1 420 9 parsed_1ps2 1
135 Ile-50 423 1 423 9 parsed_1ps2 1
136
;
CHI-3 angles
Arg-14
;
426 1 430 9 parsed_1ps2 1
137
;
CHI-4 angles
Arg-14
;
433 1 437 9 parsed_1ps2 1
stop_
save_
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