NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
644433 |
6qeu   |
34350 | cing | 2-parsed | STAR | dihedral angle | 129 |
data_6qeu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6qeu
_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_6qeu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6qeu
_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 6qeu "Master copy" parsed_6qeu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6qeu
_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 6qeu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6qeu 1
1 6qeu.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 26 parsed_6qeu 1
1 6qeu.mr . . XPLOR/CNS 3 distance "general distance" simple 0 parsed_6qeu 1
1 6qeu.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 129 parsed_6qeu 1
1 6qeu.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_6qeu 1
1 6qeu.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6qeu 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6qeu
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -36.82 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_6qeu 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 19.94 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_6qeu 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -43.46 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_6qeu 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 19.02 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_6qeu 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.88 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_6qeu 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.46 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_6qeu 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.48 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_6qeu 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -11.94 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_6qeu 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.98 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_6qeu 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -11.82 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_6qeu 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -31.12 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_6qeu 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -11.90 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_6qeu 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -47.64 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_6qeu 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 4.14 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_6qeu 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -22.36 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_6qeu 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -11.10 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_6qeu 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.82 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_6qeu 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -2.52 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_6qeu 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -50.42 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_6qeu 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 30.46 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_6qeu 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 98.36 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_6qeu 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 22.02 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_6qeu 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 203.34 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_6qeu 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -13.50 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_6qeu 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 178.84 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_6qeu 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.68 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_6qeu 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -43.40 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_6qeu 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 21.14 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_6qeu 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -69.58 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_6qeu 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 30.26 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_6qeu 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -38.46 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_6qeu 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 206.74 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_6qeu 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -34.24 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_6qeu 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 183.22 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_6qeu 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -36.52 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_6qeu 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 178.72 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_6qeu 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -80.30 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_6qeu 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 166.26 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_6qeu 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -6.80 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_6qeu 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 175.86 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_6qeu 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 33.00 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_6qeu 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 185.56 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_6qeu 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 4.10 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_6qeu 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 206.58 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_6qeu 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -25.68 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_6qeu 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.08 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_6qeu 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -39.62 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_6qeu 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -8.02 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_6qeu 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -24.12 . " A" 32 . C " A" 33 . N " A" 33 . CA " A" 33 . C parsed_6qeu 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -13.56 . " A" 34 . N " A" 34 . CA " A" 34 . C " A" 35 . N parsed_6qeu 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -20.86 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_6qeu 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -6.26 . " A" 35 . N " A" 35 . CA " A" 35 . C " A" 36 . N parsed_6qeu 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -81.28 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_6qeu 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 211.94 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_6qeu 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -79.26 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_6qeu 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 161.78 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_6qeu 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -83.58 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_6qeu 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 155.94 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_6qeu 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -48.26 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_6qeu 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 189.46 . " A" 39 . N " A" 39 . CA " A" 39 . C " A" 40 . N parsed_6qeu 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -79.96 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_6qeu 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 161.36 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_6qeu 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -0.72 . " A" 40 . C " A" 41 . N " A" 41 . CA " A" 41 . C parsed_6qeu 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 172.44 . " A" 41 . N " A" 41 . CA " A" 41 . C " A" 42 . N parsed_6qeu 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 21.90 . " A" 41 . C " A" 42 . N " A" 42 . CA " A" 42 . C parsed_6qeu 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 186.86 . " A" 42 . N " A" 42 . CA " A" 42 . C " A" 43 . N parsed_6qeu 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -39.74 . " A" 42 . C " A" 43 . N " A" 43 . CA " A" 43 . C parsed_6qeu 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -6.18 . " A" 43 . N " A" 43 . CA " A" 43 . C " A" 44 . N parsed_6qeu 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.76 . " A" 43 . C " A" 44 . N " A" 44 . CA " A" 44 . C parsed_6qeu 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 11.74 . " A" 44 . N " A" 44 . CA " A" 44 . C " A" 45 . N parsed_6qeu 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.86 . " A" 44 . C " A" 45 . N " A" 45 . CA " A" 45 . C parsed_6qeu 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.30 . " A" 45 . N " A" 45 . CA " A" 45 . C " A" 46 . N parsed_6qeu 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -44.98 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_6qeu 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -4.18 . " A" 46 . N " A" 46 . CA " A" 46 . C " A" 47 . N parsed_6qeu 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -46.54 . " A" 46 . C " A" 47 . N " A" 47 . CA " A" 47 . C parsed_6qeu 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -6.20 . " A" 47 . N " A" 47 . CA " A" 47 . C " A" 48 . N parsed_6qeu 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -49.76 . " A" 47 . C " A" 48 . N " A" 48 . CA " A" 48 . C parsed_6qeu 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 1.16 . " A" 48 . N " A" 48 . CA " A" 48 . C " A" 49 . N parsed_6qeu 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.14 . " A" 48 . C " A" 49 . N " A" 49 . CA " A" 49 . C parsed_6qeu 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -12.28 . " A" 49 . N " A" 49 . CA " A" 49 . C " A" 50 . N parsed_6qeu 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.90 . " A" 49 . C " A" 50 . N " A" 50 . CA " A" 50 . C parsed_6qeu 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.14 . " A" 50 . N " A" 50 . CA " A" 50 . C " A" 51 . N parsed_6qeu 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -44.72 . " A" 50 . C " A" 51 . N " A" 51 . CA " A" 51 . C parsed_6qeu 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 3.64 . " A" 51 . N " A" 51 . CA " A" 51 . C " A" 52 . N parsed_6qeu 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -69.50 . " A" 51 . C " A" 52 . N " A" 52 . CA " A" 52 . C parsed_6qeu 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 29.80 . " A" 52 . N " A" 52 . CA " A" 52 . C " A" 53 . N parsed_6qeu 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -25.24 . " A" 53 . C " A" 54 . N " A" 54 . CA " A" 54 . C parsed_6qeu 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 198.20 . " A" 54 . N " A" 54 . CA " A" 54 . C " A" 55 . N parsed_6qeu 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -44.10 . " A" 54 . C " A" 55 . N " A" 55 . CA " A" 55 . C parsed_6qeu 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 181.86 . " A" 55 . N " A" 55 . CA " A" 55 . C " A" 56 . N parsed_6qeu 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -15.48 . " A" 55 . C " A" 56 . N " A" 56 . CA " A" 56 . C parsed_6qeu 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 191.00 . " A" 56 . N " A" 56 . CA " A" 56 . C " A" 57 . N parsed_6qeu 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -94.56 . " A" 56 . C " A" 57 . N " A" 57 . CA " A" 57 . C parsed_6qeu 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 197.68 . " A" 57 . N " A" 57 . CA " A" 57 . C " A" 58 . N parsed_6qeu 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 9.74 . " A" 57 . C " A" 58 . N " A" 58 . CA " A" 58 . C parsed_6qeu 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 203.18 . " A" 58 . N " A" 58 . CA " A" 58 . C " A" 59 . N parsed_6qeu 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -29.98 . " A" 58 . C " A" 59 . N " A" 59 . CA " A" 59 . C parsed_6qeu 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -2.60 . " A" 59 . N " A" 59 . CA " A" 59 . C " A" 60 . N parsed_6qeu 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -32.64 . " A" 59 . C " A" 60 . N " A" 60 . CA " A" 60 . C parsed_6qeu 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 11.40 . " A" 60 . N " A" 60 . CA " A" 60 . C " A" 61 . N parsed_6qeu 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -82.64 . " A" 60 . C " A" 61 . N " A" 61 . CA " A" 61 . C parsed_6qeu 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 175.74 . " A" 61 . N " A" 61 . CA " A" 61 . C " A" 62 . N parsed_6qeu 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -65.88 . " A" 61 . C " A" 62 . N " A" 62 . CA " A" 62 . C parsed_6qeu 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 158.24 . " A" 62 . N " A" 62 . CA " A" 62 . C " A" 63 . N parsed_6qeu 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -33.26 . " A" 62 . C " A" 63 . N " A" 63 . CA " A" 63 . C parsed_6qeu 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 155.70 . " A" 63 . N " A" 63 . CA " A" 63 . C " A" 64 . N parsed_6qeu 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -20.08 . " A" 63 . C " A" 64 . N " A" 64 . CA " A" 64 . C parsed_6qeu 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.28 . " A" 64 . N " A" 64 . CA " A" 64 . C " A" 65 . N parsed_6qeu 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -82.70 . " A" 64 . C " A" 65 . N " A" 65 . CA " A" 65 . C parsed_6qeu 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 168.06 . " A" 65 . N " A" 65 . CA " A" 65 . C " A" 66 . N parsed_6qeu 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -28.40 . " A" 69 . C " A" 70 . N " A" 70 . CA " A" 70 . C parsed_6qeu 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 175.76 . " A" 70 . N " A" 70 . CA " A" 70 . C " A" 71 . N parsed_6qeu 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.66 . " A" 70 . C " A" 71 . N " A" 71 . CA " A" 71 . C parsed_6qeu 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 159.90 . " A" 71 . N " A" 71 . CA " A" 71 . C " A" 72 . N parsed_6qeu 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -30.00 . " A" 71 . C " A" 72 . N " A" 72 . CA " A" 72 . C parsed_6qeu 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -9.76 . " A" 72 . N " A" 72 . CA " A" 72 . C " A" 73 . N parsed_6qeu 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -42.26 . " A" 72 . C " A" 73 . N " A" 73 . CA " A" 73 . C parsed_6qeu 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -2.50 . " A" 74 . N " A" 74 . CA " A" 74 . C " A" 75 . N parsed_6qeu 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -34.10 . " A" 74 . C " A" 75 . N " A" 75 . CA " A" 75 . C parsed_6qeu 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 11.24 . " A" 75 . N " A" 75 . CA " A" 75 . C " A" 76 . N parsed_6qeu 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 215.04 . " A" 76 . N " A" 76 . CA " A" 76 . C " A" 77 . N parsed_6qeu 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -14.88 . " A" 76 . C " A" 77 . N " A" 77 . CA " A" 77 . C parsed_6qeu 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 169.58 . " A" 77 . N " A" 77 . CA " A" 77 . C " A" 78 . N parsed_6qeu 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -32.88 . " A" 77 . C " A" 78 . N " A" 78 . CA " A" 78 . C parsed_6qeu 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 140.26 . " A" 78 . N " A" 78 . CA " A" 78 . C " A" 79 . N parsed_6qeu 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -22.06 . " A" 78 . C " A" 79 . N " A" 79 . CA " A" 79 . C parsed_6qeu 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 171.86 . " A" 79 . N " A" 79 . CA " A" 79 . C " A" 80 . N parsed_6qeu 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -12.34 . " A" 79 . C " A" 80 . N " A" 80 . CA " A" 80 . C parsed_6qeu 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 177.88 . " A" 80 . N " A" 80 . CA " A" 80 . C " A" 81 . N parsed_6qeu 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: 1_1.tbl" 1 1 1 28 parsed_6qeu 1
stop_
save_
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