NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
600536 |
2naa   |
25933 | cing | 2-parsed | STAR | dihedral angle | 114 |
data_2naa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2naa
_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_2naa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2naa
_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 2naa "Master copy" parsed_2naa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2naa
_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 2naa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 2 distance NOE ambi 1332 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 23 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_2naa 1
1 2naa.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2naa 1
1 2naa.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2naa 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2naa
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.00 -61.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2naa 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -87.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2naa 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.00 -67.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2naa 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.50 -49.50 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2naa 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.00 -90.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2naa 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.00 -65.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2naa 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.00 -62.00 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2naa 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.50 -84.50 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2naa 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.00 -103.00 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2naa 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.00 -71.00 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2naa 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.00 -53.00 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2naa 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.50 -53.50 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2naa 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.50 -45.50 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2naa 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.50 -81.50 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2naa 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.50 -79.50 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2naa 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.00 -122.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2naa 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.50 -99.50 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2naa 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.00 -50.00 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2naa 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.50 -56.50 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2naa 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -55.00 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2naa 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.50 -82.50 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2naa 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.50 72.50 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2naa 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.00 -67.00 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2naa 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -186.50 -57.50 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2naa 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.50 -42.50 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2naa 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -51.00 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2naa 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -58.00 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2naa 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.50 -50.50 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2naa 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.50 -49.50 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2naa 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.50 -51.50 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2naa 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.50 -51.50 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2naa 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.00 -67.00 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_2naa 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.50 -62.50 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_2naa 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.50 -50.50 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2naa 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -47.00 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_2naa 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.50 -44.50 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_2naa 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.00 -93.00 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_2naa 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.00 -84.00 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2naa 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.50 -110.50 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_2naa 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.50 -63.50 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_2naa 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -42.00 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_2naa 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.00 -60.00 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_2naa 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.50 -76.50 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_2naa 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.50 -45.50 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_2naa 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.00 106.00 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_2naa 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.00 -109.00 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2naa 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.00 -112.00 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2naa 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.50 -64.50 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2naa 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.50 -35.50 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2naa 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.50 -51.50 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2naa 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.00 -61.00 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2naa 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.50 -72.50 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2naa 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.00 -57.00 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2naa 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.00 -65.00 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2naa 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -110.00 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_2naa 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.50 -63.50 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2naa 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.50 -54.50 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_2naa 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 171.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2naa 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 140.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2naa 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 0.00 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2naa 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.00 -16.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2naa 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.00 9.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2naa 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.50 179.50 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2naa 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.50 155.50 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2naa 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.50 152.50 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2naa 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.50 168.50 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2naa 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.50 162.50 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2naa 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.50 158.50 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2naa 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.50 165.50 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2naa 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.00 161.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2naa 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.50 157.50 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2naa 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 160.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2naa 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.00 189.00 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2naa 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.50 166.50 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2naa 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.50 -32.50 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2naa 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.50 -25.50 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2naa 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.50 -11.50 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2naa 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.00 18.00 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2naa 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.50 52.50 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2naa 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.50 26.50 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2naa 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.00 175.00 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2naa 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.50 159.50 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2naa 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.50 166.50 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2naa 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 158.00 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2naa 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.50 166.50 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2naa 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 140.00 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2naa 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.00 35.00 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2naa 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.50 14.50 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2naa 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.00 28.00 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_2naa 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.50 173.50 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_2naa 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.50 134.50 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2naa 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.00 -3.00 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_2naa 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -17.00 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_2naa 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.50 1.50 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_2naa 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.50 164.50 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2naa 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.00 164.00 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_2naa 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 152.00 188.00 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_2naa 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.50 -25.50 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_2naa 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.50 -12.50 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_2naa 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.00 22.00 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_2naa 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.50 139.50 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_2naa 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.00 32.00 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_2naa 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.00 168.00 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2naa 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.50 165.50 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2naa 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.50 148.50 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2naa 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 154.00 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2naa 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.00 -4.00 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2naa 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.50 -4.50 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2naa 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.50 31.50 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2naa 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 153.00 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2naa 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.50 152.50 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2naa 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.00 134.00 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_2naa 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.50 28.50 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2naa 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51.50 168.50 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_2naa 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 "8 E TALOS PHI = -115.00 +/- 36.00" 1 1 1 42 parsed_2naa 1
2 "9 C TALOS PHI = -111.00 +/- 16.00" 5 1 5 42 parsed_2naa 1
3 "10 F TALOS PHI = -82.00 +/- 10.00" 9 1 9 41 parsed_2naa 1
4 "11 S TALOS PHI = -63.00 +/- 9.00" 13 1 13 41 parsed_2naa 1
5 "12 C TALOS PHI = -111.00 +/- 14.00" 17 1 17 42 parsed_2naa 1
6 "14 D TALOS PHI = -98.00 +/- 22.00" 21 1 21 41 parsed_2naa 1
7 "15 A TALOS PHI = -107.00 +/- 30.00" 25 1 25 42 parsed_2naa 1
8 "18 L TALOS PHI = -104.00 +/- 13.00" 29 1 29 42 parsed_2naa 1
9 "19 V TALOS PHI = -121.00 +/- 12.00" 33 1 33 42 parsed_2naa 1
10 "20 S TALOS PHI = -113.00 +/- 28.00" 37 1 37 42 parsed_2naa 1
11 "21 C TALOS PHI = -101.00 +/- 32.00" 41 1 41 42 parsed_2naa 1
12 "23 K TALOS PHI = -85.00 +/- 21.00" 45 1 45 41 parsed_2naa 1
13 "24 P TALOS PHI = -65.00 +/- 13.00" 49 1 49 41 parsed_2naa 1
14 "26 C TALOS PHI = -122.00 +/- 27.00" 53 1 53 42 parsed_2naa 1
15 "28 K TALOS PHI = -93.00 +/- 9.00" 57 1 57 41 parsed_2naa 1
16 "29 V TALOS PHI = -134.00 +/- 8.00" 61 1 61 42 parsed_2naa 1
17 "30 Y TALOS PHI = -134.00 +/- 23.00" 65 1 65 42 parsed_2naa 1
18 "32 A TALOS PHI = -62.00 +/- 8.00" 69 1 69 41 parsed_2naa 1
19 "33 D TALOS PHI = -61.00 +/- 3.00" 73 1 73 41 parsed_2naa 1
20 "34 C TALOS PHI = -70.00 +/- 10.00" 77 1 77 41 parsed_2naa 1
21 "35 L TALOS PHI = -99.00 +/- 11.00" 81 1 81 41 parsed_2naa 1
22 "36 N TALOS PHI = 56.00 +/- 11.00" 85 1 85 40 parsed_2naa 1
23 "38 T TALOS PHI = -97.00 +/- 20.00" 89 1 89 41 parsed_2naa 1
24 "39 K TALOS PHI = -122.00 +/- 43.00" 93 1 93 42 parsed_2naa 1
25 "40 R TALOS PHI = -71.00 +/- 19.00" 97 1 97 41 parsed_2naa 1
26 "41 P TALOS PHI = -66.00 +/- 10.00" 101 1 101 41 parsed_2naa 1
27 "42 A TALOS PHI = -97.00 +/- 26.00" 105 1 105 41 parsed_2naa 1
28 "44 K TALOS PHI = -94.00 +/- 29.00" 109 1 109 41 parsed_2naa 1
29 "45 W TALOS PHI = -81.00 +/- 21.00" 113 1 113 41 parsed_2naa 1
30 "48 P TALOS PHI = -62.00 +/- 7.00" 117 1 117 41 parsed_2naa 1
31 "49 W TALOS PHI = -83.00 +/- 21.00" 121 1 121 41 parsed_2naa 1
32 "50 H TALOS PHI = -94.00 +/- 18.00" 125 1 125 41 parsed_2naa 1
33 "51 Q TALOS PHI = -115.00 +/- 35.00" 129 1 129 42 parsed_2naa 1
34 "52 C TALOS PHI = -70.00 +/- 13.00" 133 1 133 41 parsed_2naa 1
35 "53 D TALOS PHI = -59.00 +/- 8.00" 137 1 137 41 parsed_2naa 1
36 "54 V TALOS PHI = -79.00 +/- 23.00" 141 1 141 41 parsed_2naa 1
37 "55 C TALOS PHI = -114.00 +/- 14.00" 145 1 145 42 parsed_2naa 1
38 "61 S TALOS PHI = -123.00 +/- 26.00" 149 1 149 42 parsed_2naa 1
39 "70 F TALOS PHI = -127.00 +/- 11.00" 153 1 153 42 parsed_2naa 1
40 "71 C TALOS PHI = -83.00 +/- 13.00" 157 1 157 41 parsed_2naa 1
41 "72 K TALOS PHI = -57.00 +/- 10.00" 161 1 161 41 parsed_2naa 1
42 "73 Q TALOS PHI = -72.00 +/- 8.00" 165 1 165 41 parsed_2naa 1
43 "75 R TALOS PHI = -96.00 +/- 13.00" 169 1 169 41 parsed_2naa 1
44 "76 E TALOS PHI = -56.00 +/- 7.00" 173 1 173 41 parsed_2naa 1
45 "77 G TALOS PHI = 82.00 +/- 16.00" 177 1 177 40 parsed_2naa 1
46 "79 L TALOS PHI = -133.00 +/- 16.00" 181 1 181 42 parsed_2naa 1
47 "80 F TALOS PHI = -130.00 +/- 12.00" 185 1 185 42 parsed_2naa 1
48 "81 I TALOS PHI = -96.00 +/- 21.00" 189 1 189 41 parsed_2naa 1
49 "82 S TALOS PHI = -79.00 +/- 29.00" 193 1 193 41 parsed_2naa 1
50 "83 K TALOS PHI = -62.00 +/- 7.00" 197 1 197 41 parsed_2naa 1
51 "84 L TALOS PHI = -73.00 +/- 8.00" 201 1 201 41 parsed_2naa 1
52 "85 D TALOS PHI = -104.00 +/- 21.00" 205 1 205 42 parsed_2naa 1
53 "87 R TALOS PHI = -75.00 +/- 12.00" 209 1 209 41 parsed_2naa 1
54 "88 L TALOS PHI = -89.00 +/- 16.00" 213 1 213 41 parsed_2naa 1
55 "89 S TALOS PHI = -125.00 +/- 10.00" 217 1 217 42 parsed_2naa 1
56 "92 E TALOS PHI = -89.00 +/- 17.00" 221 1 221 41 parsed_2naa 1
57 "93 H TALOS PHI = -110.00 +/- 37.00" 225 1 225 42 parsed_2naa 1
58
;
using 1.5 times the talos error!
8 E TALOS PSI = 138.00 +/- 22.00
;
229 1 231 41 parsed_2naa 1
59 "9 C TALOS PSI = 125.00 +/- 10.00" 235 1 235 41 parsed_2naa 1
60 "10 F TALOS PSI = -30.00 +/- 20.00" 239 1 239 41 parsed_2naa 1
61 "11 S TALOS PSI = -31.00 +/- 10.00" 243 1 243 41 parsed_2naa 1
62 "12 C TALOS PSI = -9.00 +/- 12.00" 247 1 247 40 parsed_2naa 1
63 "14 D TALOS PSI = 148.00 +/- 21.00" 251 1 251 41 parsed_2naa 1
64 "15 A TALOS PSI = 133.00 +/- 15.00" 255 1 255 41 parsed_2naa 1
65 "18 L TALOS PSI = 136.00 +/- 11.00" 259 1 259 41 parsed_2naa 1
66 "19 V TALOS PSI = 149.00 +/- 13.00" 263 1 263 41 parsed_2naa 1
67 "20 S TALOS PSI = 134.00 +/- 19.00" 267 1 267 41 parsed_2naa 1
68 "21 C TALOS PSI = 136.00 +/- 15.00" 271 1 271 41 parsed_2naa 1
69 "23 K TALOS PSI = 137.00 +/- 19.00" 275 1 275 41 parsed_2naa 1
70 "24 P TALOS PSI = 146.00 +/- 10.00" 279 1 279 41 parsed_2naa 1
71 "26 C TALOS PSI = 132.00 +/- 17.00" 283 1 283 41 parsed_2naa 1
72 "28 K TALOS PSI = 140.00 +/- 20.00" 287 1 287 41 parsed_2naa 1
73 "29 V TALOS PSI = 165.00 +/- 16.00" 291 1 291 41 parsed_2naa 1
74 "30 Y TALOS PSI = 156.00 +/- 7.00" 295 1 295 41 parsed_2naa 1
75 "32 A TALOS PSI = -43.00 +/- 7.00" 299 1 299 41 parsed_2naa 1
76 "33 D TALOS PSI = -39.00 +/- 9.00" 303 1 303 41 parsed_2naa 1
77 "34 C TALOS PSI = -34.00 +/- 15.00" 307 1 307 41 parsed_2naa 1
78 "35 L TALOS PSI = 6.00 +/- 8.00" 311 1 311 40 parsed_2naa 1
79 "36 N TALOS PSI = 42.00 +/- 7.00" 315 1 315 40 parsed_2naa 1
80 "38 T TALOS PSI = -11.00 +/- 25.00" 319 1 319 41 parsed_2naa 1
81 "39 K TALOS PSI = 142.00 +/- 22.00" 323 1 323 41 parsed_2naa 1
82 "40 R TALOS PSI = 137.00 +/- 15.00" 327 1 327 41 parsed_2naa 1
83 "41 P TALOS PSI = 150.00 +/- 11.00" 331 1 331 41 parsed_2naa 1
84 "42 A TALOS PSI = 131.00 +/- 18.00" 335 1 335 41 parsed_2naa 1
85 "44 K TALOS PSI = 138.00 +/- 19.00" 339 1 339 41 parsed_2naa 1
86 "45 W TALOS PSI = 125.00 +/- 10.00" 343 1 343 41 parsed_2naa 1
87 "48 P TALOS PSI = 15.00 +/- 20.00" 347 1 347 41 parsed_2naa 1
88 "49 W TALOS PSI = -20.00 +/- 23.00" 351 1 351 41 parsed_2naa 1
89 "50 H TALOS PSI = -2.00 +/- 20.00" 355 1 355 40 parsed_2naa 1
90 "51 Q TALOS PSI = 124.00 +/- 33.00" 359 1 359 41 parsed_2naa 1
91 "52 C TALOS PSI = 124.00 +/- 7.00" 363 1 363 41 parsed_2naa 1
92 "53 D TALOS PSI = -27.00 +/- 16.00" 367 1 367 41 parsed_2naa 1
93 "54 V TALOS PSI = -38.00 +/- 14.00" 371 1 371 41 parsed_2naa 1
94 "55 C TALOS PSI = -15.00 +/- 11.00" 375 1 375 41 parsed_2naa 1
95 "61 S TALOS PSI = 142.00 +/- 15.00" 379 1 379 41 parsed_2naa 1
96 "70 F TALOS PSI = 155.00 +/- 6.00" 383 1 383 41 parsed_2naa 1
97 "71 C TALOS PSI = 170.00 +/- 12.00" 387 1 387 41 parsed_2naa 1
98 "72 K TALOS PSI = -39.00 +/- 9.00" 391 1 391 41 parsed_2naa 1
99 "73 Q TALOS PSI = -32.00 +/- 13.00" 395 1 395 41 parsed_2naa 1
100 "75 R TALOS PSI = -5.00 +/- 18.00" 399 1 399 40 parsed_2naa 1
101 "76 E TALOS PSI = 132.00 +/- 5.00" 403 1 403 41 parsed_2naa 1
102 "77 G TALOS PSI = 2.00 +/- 20.00" 407 1 407 40 parsed_2naa 1
103 "79 L TALOS PSI = 156.00 +/- 8.00" 411 1 411 41 parsed_2naa 1
104 "80 F TALOS PSI = 146.00 +/- 13.00" 415 1 415 41 parsed_2naa 1
105 "81 I TALOS PSI = 126.00 +/- 15.00" 419 1 419 41 parsed_2naa 1
106 "82 S TALOS PSI = 127.00 +/- 18.00" 423 1 423 41 parsed_2naa 1
107 "83 K TALOS PSI = -25.00 +/- 14.00" 427 1 427 41 parsed_2naa 1
108 "84 L TALOS PSI = -30.00 +/- 17.00" 431 1 431 41 parsed_2naa 1
109 "85 D TALOS PSI = 3.00 +/- 19.00" 435 1 435 40 parsed_2naa 1
110 "87 R TALOS PSI = 138.00 +/- 10.00" 439 1 439 41 parsed_2naa 1
111 "88 L TALOS PSI = 130.00 +/- 15.00" 443 1 443 41 parsed_2naa 1
112 "89 S TALOS PSI = 125.00 +/- 6.00" 447 1 447 41 parsed_2naa 1
113 "92 E TALOS PSI = -6.00 +/- 23.00" 451 1 451 40 parsed_2naa 1
114 "93 H TALOS PSI = 110.00 +/- 39.00" 455 1 455 41 parsed_2naa 1
stop_
save_
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