NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
522205 |
2lgi   |
17810 | cing | 2-parsed | STAR | dihedral angle | 102 |
data_2lgi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lgi
_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_2lgi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lgi
_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 2lgi "Master copy" parsed_2lgi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lgi
_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 2lgi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 2 distance "general distance" simple 1211 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 3 distance "general distance" simple 5455 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 4 distance "general distance" simple 459 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 60 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 6 distance NOE simple 1159 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 7 distance "general distance" simple 746 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 8 peak "Not applicable" "Not applicable" 0 parsed_2lgi 1
1 2lgi.mr . . unknown 9 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 10 peak "Not applicable" "Not applicable" 0 parsed_2lgi 1
1 2lgi.mr . . unknown 11 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2lgi 1
1 2lgi.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 102 parsed_2lgi 1
1 2lgi.mr . . unknown 13 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2lgi 1
1 2lgi.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lgi 1
stop_
save_
save_CNS/XPLOR_dihedral_12
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lgi
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 12
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.00 -75.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lgi 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -116.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lgi 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.00 -120.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lgi 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.00 -99.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lgi 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.00 -102.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lgi 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.00 -94.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lgi 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.00 -66.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lgi 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -15.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2lgi 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -15.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2lgi 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.00 -60.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lgi 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.00 -88.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lgi 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -124.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lgi 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.00 -105.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lgi 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -104.00 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lgi 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -124.00 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lgi 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -105.00 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lgi 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -97.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2lgi 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -96.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2lgi 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -15.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2lgi 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -15.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2lgi 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -43.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2lgi 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -41.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2lgi 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -48.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2lgi 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -52.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2lgi 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.00 -50.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2lgi 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.00 -55.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2lgi 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -59.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2lgi 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -62.00 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2lgi 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -59.00 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2lgi 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -59.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2lgi 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -62.00 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2lgi 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -61.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2lgi 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -57.00 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2lgi 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -56.00 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2lgi 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -73.00 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2lgi 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.00 104.00 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2lgi 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -61.00 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2lgi 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -61.00 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2lgi 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -231.00 -129.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2lgi 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -76.00 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2lgi 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.00 -90.00 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2lgi 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.00 -110.00 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2lgi 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -94.00 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2lgi 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -87.00 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2lgi 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -15.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2lgi 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -53.00 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2lgi 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -74.00 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2lgi 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.00 -19.00 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2lgi 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.00 -108.00 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2lgi 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -111.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2lgi 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.00 -115.00 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2lgi 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.00 -62.00 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2lgi 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 149.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2lgi 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.00 168.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lgi 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.00 143.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lgi 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 138.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lgi 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 132.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lgi 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.00 130.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lgi 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 195.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2lgi 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 195.0 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2lgi 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.00 22.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lgi 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.00 151.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lgi 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 172.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lgi 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.00 163.00 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lgi 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 176.00 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lgi 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.00 172.00 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lgi 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 151.00 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2lgi 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.00 138.00 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2lgi 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.00 176.00 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2lgi 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 195.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2lgi 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 195.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2lgi 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.00 -13.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2lgi 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -24.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2lgi 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -22.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2lgi 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2lgi 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.00 -20.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2lgi 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2lgi 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -41.00 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2lgi 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.00 -28.00 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2lgi 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -31.00 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2lgi 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.00 -34.00 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2lgi 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.00 -19.00 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2lgi 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -37.00 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2lgi 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.00 -26.00 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2lgi 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -15.00 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2lgi 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.00 40.00 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2lgi 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.00 46.00 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2lgi 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 140.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2lgi 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 167.00 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2lgi 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -211.00 -135.00 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2lgi 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.00 149.00 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2lgi 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 180.00 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2lgi 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.00 169.00 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2lgi 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.00 174.00 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2lgi 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.00 166.00 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2lgi 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.00 -6.00 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2lgi 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.00 36.00 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2lgi 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.00 166.00 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2lgi 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.00 166.00 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2lgi 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 178.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2lgi 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 153.00 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2lgi 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 152.00 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2lgi 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 "## DIHEs" 1 8 1 17 parsed_2lgi 1
2 "message=off echo=off" 3 1 3 28 parsed_2lgi 1
3
;
!
! TaLOS, only good + positive phi for bad residues
1. Q 2 Phi -109.00 +/- 17.00 (-126.00 to -92.00)
;
4 1 8 51 parsed_2lgi 1
4 "2. Y 3 Phi -130.00 +/- 14.00 (-144.00 to -116.00)" 13 1 13 52 parsed_2lgi 1
5 "3. K 4 Phi -137.00 +/- 17.00 (-154.00 to -120.00)" 18 1 18 52 parsed_2lgi 1
6 "4. L 5 Phi -115.00 +/- 16.00 (-131.00 to -99.00)" 23 1 23 51 parsed_2lgi 1
7 "5. I 6 Phi -108.00 +/- 6.00 (-114.00 to -102.00)" 28 1 28 51 parsed_2lgi 1
8 "6. L 7 Phi -103.00 +/- 9.00 (-112.00 to -94.00)" 33 1 33 50 parsed_2lgi 1
9
;
7. N 8 Phi -100.00 +/- 17.00 (-117.00 to -83.00)
9 out of 10 good hits; beware
;
38 1 39 32 parsed_2lgi 1
10 "! 9" 43 2 43 10 parsed_2lgi 1
11
;
8. T 11 Phi -94.00 +/- 17.00 (-111.00 to -77.00)
9 out of 10 good hits; beware
;
51 1 52 31 parsed_2lgi 1
12 "9. L 12 Phi -113.00 +/- 25.00 (-138.00 to -88.00)" 56 1 56 52 parsed_2lgi 1
13 "10. K 13 Phi -134.00 +/- 10.00 (-144.00 to -124.00)" 61 1 61 54 parsed_2lgi 1
14 "12. E 15 Phi -129.00 +/- 12.00 (-141.00 to -117.00)" 67 1 67 54 parsed_2lgi 1
15 "13. T 16 Phi -125.00 +/- 21.00 (-146.00 to -104.00)" 72 1 72 54 parsed_2lgi 1
16 "14. T 17 Phi -134.00 +/- 10.00 (-144.00 to -124.00)" 77 1 77 54 parsed_2lgi 1
17 "15. T 18 Phi -130.00 +/- 25.00 (-155.00 to -105.00)" 82 1 82 54 parsed_2lgi 1
18 "16. E 19 Phi -117.00 +/- 10.00 (-127.00 to -107.00)" 87 1 87 54 parsed_2lgi 1
19 "17. A 20 Phi -124.00 +/- 28.00 (-152.00 to -96.00)" 92 1 92 53 parsed_2lgi 1
20 "18. A 23 Phi -63.00 +/- 10.00 (-73.00 to -53.00)" 103 1 103 51 parsed_2lgi 1
21 "19. A 24 Phi -65.00 +/- 6.00 (-71.00 to -59.00)" 108 1 108 50 parsed_2lgi 1
22
;
changed 07/22/09
20. T 25 Phi -66.00 +/- 9.00 (-75.00 to -57.00)
;
111 82 113 50 parsed_2lgi 1
23 "21. A 26 Phi -62.00 +/- 5.00 (-67.00 to -57.00)" 118 1 118 50 parsed_2lgi 1
24 "22. E 27 Phi -66.00 +/- 8.00 (-74.00 to -58.00)" 123 1 123 50 parsed_2lgi 1
25
;
changed 07/22/09
23. K 28 Phi -65.00 +/- 4.00 (-69.00 to -61.00)
;
125 81 127 50 parsed_2lgi 1
26 "24. V 29 Phi -64.00 +/- 4.00 (-68.00 to -60.00)" 132 1 132 50 parsed_2lgi 1
27
;
min error bar 5 deg.
25. F 30 Phi -67.00 +/- 4.00 (-71.00 to -63.00)
;
135 81 137 50 parsed_2lgi 1
28
;
min error bar 5 deg.
26. K 31 Phi -66.00 +/- 7.00 (-73.00 to -59.00)
;
140 81 142 50 parsed_2lgi 1
29 "27. Q 32 Phi -66.00 +/- 7.00 (-73.00 to -59.00)" 147 1 147 50 parsed_2lgi 1
30 "28. Y 33 Phi -67.00 +/- 5.00 (-72.00 to -62.00)" 152 1 152 50 parsed_2lgi 1
31 "29. A 34 Phi -66.00 +/- 5.00 (-71.00 to -61.00)" 157 1 157 50 parsed_2lgi 1
32 "30. N 35 Phi -64.00 +/- 7.00 (-71.00 to -57.00)" 162 1 162 50 parsed_2lgi 1
33 "31. D 36 Phi -61.00 +/- 5.00 (-66.00 to -56.00)" 167 1 167 50 parsed_2lgi 1
34
;
32. N 37 Phi -102.00 +/- 16.00 (-118.00 to -86.00)
9 out of 10 hits, beware
;
172 1 173 26 parsed_2lgi 1
35
;
double error 16.00 2
33. G 38 Phi 83.00 +/- 11.00 (72.00 to 94.00)
8 out of 10 hits, beware !remove
;
175 80 178 34 parsed_2lgi 1
36 "34. V 39 Phi -101.00 +/- 20.00 (-121.00 to -81.00)" 182 1 182 53 parsed_2lgi 1
37
;
changed 07/22/09
35. D 40 Phi -98.00 +/- 27.00 (-125.00 to -71.00)
;
185 81 187 52 parsed_2lgi 1
38
;
061107 insert G41 -180?51
8 out of 10 hits, beware
;
192 1 193 27 parsed_2lgi 1
39 "36. E 42 Phi -98.00 +/- 22.00 (-120.00 to -76.00)" 197 1 197 52 parsed_2lgi 1
40
;
37. W 43 Phi -122.00 +/- 16.00 (-138.00 to -106.00)
9 out of 10 hits, beware
;
202 1 203 27 parsed_2lgi 1
41
;
double error 16.00 2
38. T 44 Phi -133.00 +/- 23.00 (-156.00 to -110.00)
;
205 80 207 54 parsed_2lgi 1
42
;
39. Y 45 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
9 out of 10, beware
;
212 1 213 21 parsed_2lgi 1
43 "40. D 46 Phi -105.00 +/- 18.00 (-123.00 to -87.00)" 217 1 217 53 parsed_2lgi 1
44 "41. A 48 Phi -66.00 +/- 13.00 (-79.00 to -53.00)" 226 1 226 51 parsed_2lgi 1
45 "42. T 49 Phi -110.00 +/- 9.00 (-119.00 to -101.00)" 231 1 231 53 parsed_2lgi 1
46
;
061407 9.00 2
K50, 5 out of 10, 58?4
43. T 51 Phi -105.00 +/- 43.00 (-148.00 to -62.00)
9 out of 10, beware
;
234 78 239 23 parsed_2lgi 1
47 "44. F 52 Phi -121.00 +/- 13.00 (-134.00 to -108.00)" 243 1 243 54 parsed_2lgi 1
48
;
45. T 53 Phi -133.00 +/- 11.00 (-144.00 to -122.00)
9 out of 10, beware
;
248 1 249 22 parsed_2lgi 1
49 "46. V 54 Phi -131.00 +/- 16.00 (-147.00 to -115.00)" 253 1 253 54 parsed_2lgi 1
50 "47. T 55 Phi -110.00 +/- 14.00 (-124.00 to -96.00)" 258 1 258 53 parsed_2lgi 1
51
;
!!!!!!!!!!!!
48. Q 2 Psi 136.00 +/- 13.00 (123.00 to 149.00)
;
263 1 264 50 parsed_2lgi 1
52 "49. Y 3 Psi 153.00 +/- 15.00 (138.00 to 168.00)" 269 1 269 50 parsed_2lgi 1
53 "50. K 4 Psi 136.00 +/- 7.00 (129.00 to 143.00)" 274 1 274 49 parsed_2lgi 1
54 "51. L 5 Psi 122.00 +/- 16.00 (106.00 to 138.00)" 279 1 279 50 parsed_2lgi 1
55 "52. I 6 Psi 120.00 +/- 12.00 (108.00 to 132.00)" 284 1 284 50 parsed_2lgi 1
56 "53. L 7 Psi 119.00 +/- 11.00 (108.00 to 130.00)" 289 1 289 50 parsed_2lgi 1
57
;
54. N 8 Psi 142.00 +/- 26.00 (116.00 to 168.00)
beware, 9 out of 10
;
294 1 295 21 parsed_2lgi 1
58 !10 299 1 299 5 parsed_2lgi 1
59
;
55. T 11 Psi -6.00 +/- 14.00 (-20.00 to 8.00)
beware, 9 out of 10
;
303 1 304 21 parsed_2lgi 1
60
;
14.00 2
56. L 12 Psi 124.00 +/- 27.00 (97.00 to 151.00)
;
306 79 308 50 parsed_2lgi 1
61 "57. K 13 Psi 156.00 +/- 16.00 (140.00 to 172.00)" 313 1 313 51 parsed_2lgi 1
62 "59. E 15 Psi 151.00 +/- 12.00 (139.00 to 163.00)" 319 1 319 51 parsed_2lgi 1
63 "60. T 16 Psi 153.00 +/- 23.00 (130.00 to 176.00)" 324 1 324 51 parsed_2lgi 1
64 "61. T 17 Psi 152.00 +/- 20.00 (132.00 to 172.00)" 329 1 329 51 parsed_2lgi 1
65 "62. T 18 Psi 137.00 +/- 14.00 (123.00 to 151.00)" 334 1 334 51 parsed_2lgi 1
66 "63. E 19 Psi 122.00 +/- 16.00 (106.00 to 138.00)" 339 1 339 51 parsed_2lgi 1
67 "64. A 20 Psi 160.00 +/- 16.00 (144.00 to 176.00)" 344 1 344 51 parsed_2lgi 1
68 "65. A 23 Psi -35.00 +/- 11.00 (-46.00 to -24.00)" 355 1 355 51 parsed_2lgi 1
69 "66. A 24 Psi -38.00 +/- 7.00 (-45.00 to -31.00)" 360 1 360 50 parsed_2lgi 1
70 "67. T 25 Psi -38.00 +/- 8.00 (-46.00 to -30.00)" 365 1 365 50 parsed_2lgi 1
71 "68. A 26 Psi -41.00 +/- 3.00 (-44.00 to -38.00)" 370 1 370 50 parsed_2lgi 1
72
;
min. 5 deg. error
69. E 27 Psi -37.00 +/- 17.00 (-54.00 to -20.00)
;
373 80 375 51 parsed_2lgi 1
73 "70. K 28 Psi -41.00 +/- 5.00 (-46.00 to -36.00)" 379 1 379 50 parsed_2lgi 1
74
;
doubled
71. V 29 Psi -46.00 +/- 4.00 (-50.00 to -42.00)
;
382 79 384 50 parsed_2lgi 1
75
;
min 5 deg. error
72. F 30 Psi -35.00 +/- 7.00 (-42.00 to -28.00)
;
387 78 389 50 parsed_2lgi 1
76 "73. K 31 Psi -41.00 +/- 10.00 (-51.00 to -31.00)" 394 1 394 51 parsed_2lgi 1
77 "74. Q 32 Psi -43.00 +/- 9.00 (-52.00 to -34.00)" 399 1 399 50 parsed_2lgi 1
78 "75. Y 33 Psi -37.00 +/- 9.00 (-46.00 to -28.00)" 404 1 404 50 parsed_2lgi 1
79
;
changed 07/22/09
76. A 34 Psi -42.00 +/- 4.00 (-46.00 to -38.00)
;
407 82 409 50 parsed_2lgi 1
80
;
min 5 deg. error
77. N 35 Psi -37.00 +/- 11.00 (-48.00 to -26.00)
;
412 78 414 51 parsed_2lgi 1
81 "78. D 36 Psi -31.00 +/- 8.00 (-39.00 to -23.00)" 419 1 419 50 parsed_2lgi 1
82
;
08/03/09
79. N 37 Psi 8.00 +/- 16.00 (-8.00 to 24.00)
beware, 9 out of 10
;
422 82 425 21 parsed_2lgi 1
83
;
double 16.00 2
80. G 38 Psi 14.00 +/- 9.00 (5.00 to 23.00)
beware, 8 out of 10
;
427 79 430 21 parsed_2lgi 1
84
;
!changed 07/22/09 ! 08/03/09
81. V 39 Psi 125.00 +/- 15.00 (110.00 to 140.00)
;
432 80 434 51 parsed_2lgi 1
85 "82. D 40 Psi 139.00 +/- 28.00 (111.00 to 167.00)" 439 1 439 51 parsed_2lgi 1
86
;
061107 insert G41 -173?14
8 out of 10 hits, beware
;
444 1 445 27 parsed_2lgi 1
87
;
changed 07/22/09
83. E 42 Psi 133.00 +/- 16.00 (117.00 to 149.00)
;
447 81 449 51 parsed_2lgi 1
88
;
84. W 43 Psi 160.00 +/- 10.00 (150.00 to 170.00)
beware, 9 out of 10
;
454 1 455 21 parsed_2lgi 1
89
;
double 10.00 2
85. T 44 Psi 152.00 +/- 17.00 (135.00 to 169.00)
;
457 79 459 51 parsed_2lgi 1
90
;
86. Y 45 Psi 126.00 +/- 24.00 (102.00 to 150.00)
9 out of 10, beware
;
464 1 465 21 parsed_2lgi 1
91
;
double 24.00 2
87. D 46 Psi 140.00 +/- 26.00 (114.00 to 166.00)
;
467 79 469 51 parsed_2lgi 1
92 "88. A 48 Psi -21.00 +/- 15.00 (-36.00 to -6.00)" 475 1 475 50 parsed_2lgi 1
93 "89. T 49 Psi 10.00 +/- 13.00 (-3.00 to 23.00)" 480 1 480 48 parsed_2lgi 1
94
;
doubled
K50 psi 37?12, but 5 out of 10 bad
90. T 51 Psi 134.00 +/- 16.00 (118.00 to 150.00)
9 out of 10, beware
;
483 80 488 23 parsed_2lgi 1
95
;
double error bars 16.00 2
91. F 52 Psi 150.00 +/- 16.00 (134.00 to 166.00)
;
490 80 492 51 parsed_2lgi 1
96
;
92. T 53 Psi 144.00 +/- 17.00 (127.00 to 161.00)
9 out of 10, beware
;
497 1 498 23 parsed_2lgi 1
97
;
double error bars 17.00 2
93. V 54 Psi 139.00 +/- 14.00 (125.00 to 153.00)
;
500 80 502 51 parsed_2lgi 1
98 "94. T 55 Psi 128.00 +/- 12.00 (116.00 to 140.00)" 507 1 507 51 parsed_2lgi 1
99 doubled 510 80 510 88 parsed_2lgi 1
stop_
save_
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