NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
36219 |
1n7t   |
5631 | cing | 2-parsed | STAR | dihedral angle | 130 |
data_1n7t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1n7t
_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_1n7t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1n7t
_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 1n7t "Master copy" parsed_1n7t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1n7t
_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 1n7t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 2 distance NOE simple 1499 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 3 distance NOE simple 218 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 36 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 130 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1n7t 1
1 1n7t.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1n7t 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1n7t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 1 . c A 2 . n A 2 . ca A 2 . c parsed_1n7t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.3 -32.3 . A 2 . c A 3 . n A 3 . ca A 3 . c parsed_1n7t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.8 176.8 . A 3 . n A 3 . ca A 3 . c A 4 . n parsed_1n7t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 3 . c A 4 . n A 4 . ca A 4 . c parsed_1n7t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 5 . c A 6 . n A 6 . ca A 6 . c parsed_1n7t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 6 . c A 7 . n A 7 . ca A 7 . c parsed_1n7t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 7 . c A 8 . n A 8 . ca A 8 . c parsed_1n7t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 8 . c A 9 . n A 9 . ca A 9 . c parsed_1n7t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 9 . c A 10 . n A 10 . ca A 10 . c parsed_1n7t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 10 . c A 11 . n A 11 . ca A 11 . c parsed_1n7t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.8 196.6 . A 11 . n A 11 . ca A 11 . c A 12 . n parsed_1n7t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -66.9 . A 11 . c A 12 . n A 12 . ca A 12 . c parsed_1n7t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.1 166.1 . A 12 . n A 12 . ca A 12 . c A 13 . n parsed_1n7t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 12 . c A 13 . n A 13 . ca A 13 . c parsed_1n7t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.8 180.2 . A 13 . n A 13 . ca A 13 . c A 14 . n parsed_1n7t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 13 . c A 14 . n A 14 . ca A 14 . c parsed_1n7t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.9 167.9 . A 14 . n A 14 . ca A 14 . c A 15 . n parsed_1n7t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 14 . c A 15 . n A 15 . ca A 15 . c parsed_1n7t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.9 197.1 . A 15 . n A 15 . ca A 15 . c A 16 . n parsed_1n7t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.5 -70.5 . A 15 . c A 16 . n A 16 . ca A 16 . c parsed_1n7t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.7 170.7 . A 16 . n A 16 . ca A 16 . c A 17 . n parsed_1n7t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 16 . c A 17 . n A 17 . ca A 17 . c parsed_1n7t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -46.0 . A 17 . c A 18 . n A 18 . ca A 18 . c parsed_1n7t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.8 185.8 . A 18 . n A 18 . ca A 18 . c A 19 . n parsed_1n7t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 18 . c A 19 . n A 19 . ca A 19 . c parsed_1n7t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 19 . c A 20 . n A 20 . ca A 20 . c parsed_1n7t 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.6 -47.8 . A 21 . c A 22 . n A 22 . ca A 22 . c parsed_1n7t 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.4 234.6 . A 22 . n A 22 . ca A 22 . c A 23 . n parsed_1n7t 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -42.8 . A 24 . c A 25 . n A 25 . ca A 25 . c parsed_1n7t 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.2 198.8 . A 25 . n A 25 . ca A 25 . c A 26 . n parsed_1n7t 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 25 . c A 26 . n A 26 . ca A 26 . c parsed_1n7t 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.6 188.8 . A 26 . n A 26 . ca A 26 . c A 27 . n parsed_1n7t 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 26 . c A 27 . n A 27 . ca A 27 . c parsed_1n7t 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 198.4 . A 27 . n A 27 . ca A 27 . c A 28 . n parsed_1n7t 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 27 . c A 28 . n A 28 . ca A 28 . c parsed_1n7t 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.4 209.8 . A 28 . n A 28 . ca A 28 . c A 29 . n parsed_1n7t 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 30 . c A 31 . n A 31 . ca A 31 . c parsed_1n7t 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 33 . c A 34 . n A 34 . ca A 34 . c parsed_1n7t 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.1 -45.9 . A 35 . c A 36 . n A 36 . ca A 36 . c parsed_1n7t 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.1 197.9 . A 36 . n A 36 . ca A 36 . c A 37 . n parsed_1n7t 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 37 . c A 38 . n A 38 . ca A 38 . c parsed_1n7t 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 38 . c A 39 . n A 39 . ca A 39 . c parsed_1n7t 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.0 241.8 . A 39 . n A 39 . ca A 39 . c A 40 . n parsed_1n7t 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 40 . c A 41 . n A 41 . ca A 41 . c parsed_1n7t 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 41 . c A 42 . n A 42 . ca A 42 . c parsed_1n7t 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.1 173.5 . A 42 . n A 42 . ca A 42 . c A 43 . n parsed_1n7t 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 42 . c A 43 . n A 43 . ca A 43 . c parsed_1n7t 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 44 . c A 45 . n A 45 . ca A 45 . c parsed_1n7t 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.0 176.0 . A 45 . n A 45 . ca A 45 . c A 46 . n parsed_1n7t 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 45 . c A 46 . n A 46 . ca A 46 . c parsed_1n7t 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.9 187.7 . A 46 . n A 46 . ca A 46 . c A 47 . n parsed_1n7t 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -11.4 . A 46 . c A 47 . n A 47 . ca A 47 . c parsed_1n7t 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 48 . c A 49 . n A 49 . ca A 49 . c parsed_1n7t 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.7 -72.7 . A 49 . c A 50 . n A 50 . ca A 50 . c parsed_1n7t 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.1 168.1 . A 50 . n A 50 . ca A 50 . c A 51 . n parsed_1n7t 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . A 50 . c A 51 . n A 51 . ca A 51 . c parsed_1n7t 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.6 -57.4 . A 52 . c A 53 . n A 53 . ca A 53 . c parsed_1n7t 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 55 . c A 56 . n A 56 . ca A 56 . c parsed_1n7t 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 56 . c A 57 . n A 57 . ca A 57 . c parsed_1n7t 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.4 -32.0 . A 57 . c A 58 . n A 58 . ca A 58 . c parsed_1n7t 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 56.0 . A 58 . n A 58 . ca A 58 . c A 59 . n parsed_1n7t 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 58 . c A 59 . n A 59 . ca A 59 . c parsed_1n7t 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 59 . c A 60 . n A 60 . ca A 60 . c parsed_1n7t 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.5 186.5 . A 60 . n A 60 . ca A 60 . c A 61 . n parsed_1n7t 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 60 . c A 61 . n A 61 . ca A 61 . c parsed_1n7t 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.3 204.3 . A 61 . n A 61 . ca A 61 . c A 62 . n parsed_1n7t 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 63 . c A 64 . n A 64 . ca A 64 . c parsed_1n7t 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.1 -46.7 . A 64 . c A 65 . n A 65 . ca A 65 . c parsed_1n7t 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.3 204.7 . A 65 . n A 65 . ca A 65 . c A 66 . n parsed_1n7t 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 65 . c A 66 . n A 66 . ca A 66 . c parsed_1n7t 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 66 . c A 67 . n A 67 . ca A 67 . c parsed_1n7t 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.5 -94.5 . A 67 . c A 68 . n A 68 . ca A 68 . c parsed_1n7t 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.0 202.2 . A 68 . n A 68 . ca A 68 . c A 69 . n parsed_1n7t 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.4 -57.0 . A 68 . c A 69 . n A 69 . ca A 69 . c parsed_1n7t 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.9 170.9 . A 69 . n A 69 . ca A 69 . c A 70 . n parsed_1n7t 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 69 . c A 70 . n A 70 . ca A 70 . c parsed_1n7t 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 71 . c A 72 . n A 72 . ca A 72 . c parsed_1n7t 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.2 -16.2 . A 72 . c A 73 . n A 73 . ca A 73 . c parsed_1n7t 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.3 169.3 . A 73 . n A 73 . ca A 73 . c A 74 . n parsed_1n7t 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 73 . c A 74 . n A 74 . ca A 74 . c parsed_1n7t 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 74 . c A 75 . n A 75 . ca A 75 . c parsed_1n7t 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 75 . c A 76 . n A 76 . ca A 76 . c parsed_1n7t 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 76 . c A 77 . n A 77 . ca A 77 . c parsed_1n7t 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.8 190.4 . A 77 . n A 77 . ca A 77 . c A 78 . n parsed_1n7t 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 77 . c A 78 . n A 78 . ca A 78 . c parsed_1n7t 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.2 246.0 . A 78 . n A 78 . ca A 78 . c A 79 . n parsed_1n7t 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.9 -29.9 . A 78 . c A 79 . n A 79 . ca A 79 . c parsed_1n7t 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.8 0.2 . A 79 . n A 79 . ca A 79 . c A 80 . n parsed_1n7t 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.5 -37.5 . A 79 . c A 80 . n A 80 . ca A 80 . c parsed_1n7t 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.7 7.3 . A 80 . n A 80 . ca A 80 . c A 81 . n parsed_1n7t 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.2 -37.2 . A 80 . c A 81 . n A 81 . ca A 81 . c parsed_1n7t 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.7 1.3 . A 81 . n A 81 . ca A 81 . c A 82 . n parsed_1n7t 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 81 . c A 82 . n A 82 . ca A 82 . c parsed_1n7t 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.6 -4.6 . A 82 . n A 82 . ca A 82 . c A 83 . n parsed_1n7t 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 82 . c A 83 . n A 83 . ca A 83 . c parsed_1n7t 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.4 2.6 . A 83 . n A 83 . ca A 83 . c A 84 . n parsed_1n7t 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 83 . c A 84 . n A 84 . ca A 84 . c parsed_1n7t 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.4 2.6 . A 84 . n A 84 . ca A 84 . c A 85 . n parsed_1n7t 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 84 . c A 85 . n A 85 . ca A 85 . c parsed_1n7t 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.1 1.9 . A 85 . n A 85 . ca A 85 . c A 86 . n parsed_1n7t 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 85 . c A 86 . n A 86 . ca A 86 . c parsed_1n7t 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 13.6 . A 86 . n A 86 . ca A 86 . c A 87 . n parsed_1n7t 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 86 . c A 87 . n A 87 . ca A 87 . c parsed_1n7t 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . A 88 . c A 89 . n A 89 . ca A 89 . c parsed_1n7t 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 89 . c A 90 . n A 90 . ca A 90 . c parsed_1n7t 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 90 . c A 91 . n A 91 . ca A 91 . c parsed_1n7t 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.5 -44.7 . A 91 . c A 92 . n A 92 . ca A 92 . c parsed_1n7t 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.4 194.4 . A 92 . n A 92 . ca A 92 . c A 93 . n parsed_1n7t 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 92 . c A 93 . n A 93 . ca A 93 . c parsed_1n7t 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.6 167.6 . A 93 . n A 93 . ca A 93 . c A 94 . n parsed_1n7t 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 93 . c A 94 . n A 94 . ca A 94 . c parsed_1n7t 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.5 164.5 . A 94 . n A 94 . ca A 94 . c A 95 . n parsed_1n7t 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 94 . c A 95 . n A 95 . ca A 95 . c parsed_1n7t 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.5 178.5 . A 95 . n A 95 . ca A 95 . c A 96 . n parsed_1n7t 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 95 . c A 96 . n A 96 . ca A 96 . c parsed_1n7t 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.7 169.7 . A 96 . n A 96 . ca A 96 . c A 97 . n parsed_1n7t 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 96 . c A 97 . n A 97 . ca A 97 . c parsed_1n7t 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 97 . c A 98 . n A 98 . ca A 98 . c parsed_1n7t 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.4 170.8 . A 98 . n A 98 . ca A 98 . c A 99 . n parsed_1n7t 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 98 . c A 99 . n A 99 . ca A 99 . c parsed_1n7t 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.1 -54.9 . A 99 . c A 100 . n A 100 . ca A 100 . c parsed_1n7t 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.2 177.8 . A 100 . n A 100 . ca A 100 . c A 101 . n parsed_1n7t 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . A 100 . c A 101 . n A 101 . ca A 101 . c parsed_1n7t 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.8 197.6 . A 101 . n A 101 . ca A 101 . c A 102 . n parsed_1n7t 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 101 . c A 102 . n A 102 . ca A 102 . c parsed_1n7t 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -5.0 . A 102 . c A 103 . n A 103 . ca A 103 . c parsed_1n7t 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -10.0 . B 302 . c B 303 . n B 303 . ca B 303 . c parsed_1n7t 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -10.0 . B 303 . c B 304 . n B 304 . ca B 304 . c parsed_1n7t 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -10.0 . B 304 . c B 305 . n B 305 . ca B 305 . c parsed_1n7t 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -10.0 . B 305 . c B 306 . n B 306 . ca B 306 . c parsed_1n7t 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
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!! CDIH restraints start here !!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
phi -psi
2 S
;
1 1 10 10 parsed_1n7t 1
2 "3 H" 13 1 14 10 parsed_1n7t 1
3 "4 S" 19 1 20 10 parsed_1n7t 1
4 "6 H" 23 1 24 10 parsed_1n7t 1
5 "7 E" 27 1 28 10 parsed_1n7t 1
6 "8 L" 31 1 32 10 parsed_1n7t 1
7 "9 A" 35 1 36 10 parsed_1n7t 1
8 "10 K" 39 1 40 10 parsed_1n7t 1
9 "11 Q hnha" 43 1 44 16 parsed_1n7t 1
10 "12 E" 49 1 50 10 parsed_1n7t 1
11 "13 I hnha" 55 1 56 15 parsed_1n7t 1
12 "14 R hnha" 61 1 62 15 parsed_1n7t 1
13 "15 V hnha" 67 1 68 15 parsed_1n7t 1
14 "16 R" 73 1 74 10 parsed_1n7t 1
15 "17 V hnha" 79 1 80 14 parsed_1n7t 1
16 "18 E" 83 1 84 10 parsed_1n7t 1
17 "19 K manual" 89 1 90 17 parsed_1n7t 1
18 "20 D manual" 93 1 94 17 parsed_1n7t 1
19
;
21 P
22 E
;
97 1 100 10 parsed_1n7t 1
20
;
23 L
24 G
25 F
;
105 1 110 10 parsed_1n7t 1
21 "26 S hnha" 115 1 116 15 parsed_1n7t 1
22 "27 I hnha" 121 1 122 15 parsed_1n7t 1
23 "28 S hnha" 127 1 128 15 parsed_1n7t 1
24
;
29 G
30 G
31 V hnha
;
133 1 138 12 parsed_1n7t 1
25
;
32 G
33 G
34 R negative phi
;
141 1 146 20 parsed_1n7t 1
26
;
35 G
36 N
;
149 1 152 10 parsed_1n7t 1
27
;
37 P
38 F hnha
;
157 1 160 12 parsed_1n7t 1
28 "39 R hnha + new talos" 163 1 164 24 parsed_1n7t 1
29
;
40 P
41 D hnha
;
169 1 172 15 parsed_1n7t 1
30 "42 D hnha" 175 1 176 15 parsed_1n7t 1
31 "43 D" 181 1 182 8 parsed_1n7t 1
32
;
44 G
45 I hnha
;
185 1 188 15 parsed_1n7t 1
33 "46 F hnha" 193 1 194 15 parsed_1n7t 1
34 "47 V" 199 1 200 10 parsed_1n7t 1
35
;
assign (resid 47 and name n and segid A )(resid 47 and name ca and segid A )
(resid 47 and name c and segid A )(resid 48 and name n and segid A ) 1.0 127.0 40.0 2
48 T
49 R hnha
;
203 1 208 15 parsed_1n7t 1
36
;
assign (resid 49 and name n and segid A )(resid 49 and name ca and segid A )
(resid 49 and name c and segid A )(resid 50 and name n and segid A ) 1.0 153.2 40.0 2
50 V
;
211 1 214 10 parsed_1n7t 1
37 "51 Q hnha" 219 1 220 15 parsed_1n7t 1
38
;
52 P
53 E
;
223 1 226 10 parsed_1n7t 1
39
;
d1 assign (resid 53 and name n and segid A )(resid 53 and name ca and segid A )
d1 (resid 53 and name c and segid A )(resid 54 and name n and segid A ) 1.0 1.4 40.0 2
54 G
55 P
56 A manual neg phi
;
229 1 236 22 parsed_1n7t 1
40 "57 S hnha" 239 1 240 12 parsed_1n7t 1
41 "58 K" 243 1 244 10 parsed_1n7t 1
42 "59 L hnha" 249 1 250 12 parsed_1n7t 1
43 "60 L hnha" 253 1 254 12 parsed_1n7t 1
44 "61 Q hnha" 259 1 260 15 parsed_1n7t 1
45
;
62 P
63 G
64 D hnha
;
265 1 270 12 parsed_1n7t 1
46 "65 K" 273 1 274 10 parsed_1n7t 1
47 "66 I hnha" 279 1 280 12 parsed_1n7t 1
48 "67 I hnha" 283 1 284 12 parsed_1n7t 1
49 "68 Q new talos" 287 1 288 18 parsed_1n7t 1
50 "69 A" 293 1 294 10 parsed_1n7t 1
51 "70 N manual positive" 299 1 300 28 parsed_1n7t 1
52
;
71 G
72 Y hnha
;
303 1 306 12 parsed_1n7t 1
53 "73 S" 309 1 310 10 parsed_1n7t 1
54 "74 F hnha" 315 1 316 12 parsed_1n7t 1
55 "75 I manual neg phi" 319 1 320 23 parsed_1n7t 1
56 "76 N manual positive phi" 323 1 324 28 parsed_1n7t 1
57 "77 I hnha" 327 1 328 15 parsed_1n7t 1
58 "78 E hnha" 333 1 334 15 parsed_1n7t 1
59 "79 H" 339 1 340 10 parsed_1n7t 1
60 "80 G" 345 1 346 10 parsed_1n7t 1
61 "81 Q" 351 1 352 10 parsed_1n7t 1
62 "82 A hnha" 357 1 358 15 parsed_1n7t 1
63 "83 V hnha" 363 1 364 15 parsed_1n7t 1
64 "84 S hnha" 369 1 370 15 parsed_1n7t 1
65 "85 L hnha" 375 1 376 15 parsed_1n7t 1
66 "86 L hnha" 381 1 382 15 parsed_1n7t 1
67 "87 K hnha" 387 1 388 12 parsed_1n7t 1
68 "89 F hnha" 391 1 392 12 parsed_1n7t 1
69 "90 Q manual neg phi" 395 1 396 23 parsed_1n7t 1
70
;
91 N manual positive
a assign (resid 90 and name c and segid A )(resid 91 and name n and segid A )
a (resid 91 and name ca and segid A )(resid 91 and name c and segid A ) 1.0 60.0 30.0 2
manual negative phi
;
399 1 403 22 parsed_1n7t 1
71
;
assign (resid 91 and name n and segid A )(resid 91 and name ca and segid A )
(resid 91 and name c and segid A )(resid 92 and name n and segid A ) 1.0 60.0 60.0 2
92 T
;
406 1 409 10 parsed_1n7t 1
72 "93 V hnha" 414 1 415 15 parsed_1n7t 1
73 "94 E hnha" 420 1 421 15 parsed_1n7t 1
74 "95 L hnha" 426 1 427 15 parsed_1n7t 1
75 "96 I hnha" 432 1 433 15 parsed_1n7t 1
76 "97 I hnha" 438 1 438 12 parsed_1n7t 1
77 "98 V hnha" 441 1 442 15 parsed_1n7t 1
78 "99 R hnha" 447 1 448 12 parsed_1n7t 1
79 "100 E" 451 1 452 10 parsed_1n7t 1
80 "101 V hnha" 457 1 458 15 parsed_1n7t 1
81 "102 S manual negative phi" 463 1 464 32 parsed_1n7t 1
82 "103 S manual negative phi" 467 1 468 32 parsed_1n7t 1
83
;
peptide negative phi restraints
303 W
;
471 1 475 8 parsed_1n7t 1
84 "304 E" 478 1 480 8 parsed_1n7t 1
85 "305 T" 483 1 485 8 parsed_1n7t 1
86 "306 W" 488 1 490 8 parsed_1n7t 1
stop_
save_
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