NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
620663 |
5gwm   |
36021 | cing | 2-parsed | STAR | dihedral angle | 182 |
data_5gwm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5gwm
_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_5gwm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5gwm
_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 5gwm "Master copy" parsed_5gwm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5gwm
_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 5gwm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5gwm 1
1 5gwm.mr . . XPLOR/CNS 2 distance NOE ambi 1322 parsed_5gwm 1
1 5gwm.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 69 parsed_5gwm 1
1 5gwm.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 182 parsed_5gwm 1
1 5gwm.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_5gwm 1
1 5gwm.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5gwm 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5gwm
_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 -33.18 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_5gwm 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 11.84 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_5gwm 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -34.26 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_5gwm 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 26.16 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_5gwm 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -31.52 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_5gwm 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 180.68 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_5gwm 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -59.94 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_5gwm 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.00 190.00 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_5gwm 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -32.28 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_5gwm 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.88 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_5gwm 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.90 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_5gwm 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.30 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_5gwm 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.56 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_5gwm 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -15.54 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_5gwm 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.74 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_5gwm 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.80 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_5gwm 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.24 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_5gwm 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.14 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_5gwm 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.56 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_5gwm 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -6.84 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_5gwm 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.78 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_5gwm 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.32 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_5gwm 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -33.98 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_5gwm 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.58 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_5gwm 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.46 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_5gwm 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -24.22 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_5gwm 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.44 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_5gwm 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.72 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_5gwm 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.62 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_5gwm 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.78 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_5gwm 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.94 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_5gwm 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -25.88 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_5gwm 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -34.58 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_5gwm 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.78 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_5gwm 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.92 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_5gwm 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -14.34 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_5gwm 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.72 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_5gwm 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.40 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_5gwm 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.74 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_5gwm 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.24 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_5gwm 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.08 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_5gwm 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.44 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_5gwm 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.62 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_5gwm 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -13.92 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_5gwm 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.50 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_5gwm 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -11.16 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_5gwm 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.64 . " A" 25 . C " A" 26 . N " A" 26 . CA " A" 26 . C parsed_5gwm 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.18 . " A" 26 . N " A" 26 . CA " A" 26 . C " A" 27 . N parsed_5gwm 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.52 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_5gwm 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.48 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_5gwm 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.90 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_5gwm 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.16 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_5gwm 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.70 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_5gwm 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.38 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_5gwm 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.50 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_5gwm 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.56 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_5gwm 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -47.26 . " A" 30 . C " A" 31 . N " A" 31 . CA " A" 31 . C parsed_5gwm 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.32 . " A" 31 . N " A" 31 . CA " A" 31 . C " A" 32 . N parsed_5gwm 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -37.16 . " A" 31 . C " A" 32 . N " A" 32 . CA " A" 32 . C parsed_5gwm 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.54 . " A" 32 . N " A" 32 . CA " A" 32 . C " A" 33 . N parsed_5gwm 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.58 . " A" 32 . C " A" 33 . N " A" 33 . CA " A" 33 . C parsed_5gwm 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -13.38 . " A" 33 . N " A" 33 . CA " A" 33 . C " A" 34 . N parsed_5gwm 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.02 . " A" 33 . C " A" 34 . N " A" 34 . CA " A" 34 . C parsed_5gwm 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.92 . " A" 34 . N " A" 34 . CA " A" 34 . C " A" 35 . N parsed_5gwm 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -34.06 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_5gwm 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.42 . " A" 35 . N " A" 35 . CA " A" 35 . C " A" 36 . N parsed_5gwm 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.88 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_5gwm 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.84 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_5gwm 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -44.70 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_5gwm 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.20 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_5gwm 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -33.94 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_5gwm 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.84 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_5gwm 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -37.44 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_5gwm 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -9.86 . " A" 39 . N " A" 39 . CA " A" 39 . C " A" 40 . N parsed_5gwm 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -29.96 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_5gwm 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.38 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_5gwm 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.70 . " A" 40 . C " A" 41 . N " A" 41 . CA " A" 41 . C parsed_5gwm 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.22 . " A" 41 . N " A" 41 . CA " A" 41 . C " A" 42 . N parsed_5gwm 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.40 . " A" 41 . C " A" 42 . N " A" 42 . CA " A" 42 . C parsed_5gwm 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.44 . " A" 42 . N " A" 42 . CA " A" 42 . C " A" 43 . N parsed_5gwm 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -33.62 . " A" 42 . C " A" 43 . N " A" 43 . CA " A" 43 . C parsed_5gwm 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.30 . " A" 43 . N " A" 43 . CA " A" 43 . C " A" 44 . N parsed_5gwm 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -52.92 . " A" 43 . C " A" 44 . N " A" 44 . CA " A" 44 . C parsed_5gwm 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 28.32 . " A" 44 . N " A" 44 . CA " A" 44 . C " A" 45 . N parsed_5gwm 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -60.00 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_5gwm 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 0.00 . " A" 46 . N " A" 46 . CA " A" 46 . C " A" 47 . N parsed_5gwm 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -35.18 . " A" 46 . C " A" 47 . N " A" 47 . CA " A" 47 . C parsed_5gwm 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 13.28 . " A" 47 . N " A" 47 . CA " A" 47 . C " A" 48 . N parsed_5gwm 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -14.60 . " A" 47 . C " A" 48 . N " A" 48 . CA " A" 48 . C parsed_5gwm 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 6.52 . " A" 48 . N " A" 48 . CA " A" 48 . C " A" 49 . N parsed_5gwm 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 10.30 . " A" 49 . C " A" 50 . N " A" 50 . CA " A" 50 . C parsed_5gwm 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.54 . " A" 50 . N " A" 50 . CA " A" 50 . C " A" 51 . N parsed_5gwm 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 33.82 . " A" 50 . C " A" 51 . N " A" 51 . CA " A" 51 . C parsed_5gwm 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 193.46 . " A" 51 . N " A" 51 . CA " A" 51 . C " A" 52 . N parsed_5gwm 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.48 . " B" 84 . C " B" 85 . N " B" 85 . CA " B" 85 . C parsed_5gwm 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 185.50 . " B" 85 . N " B" 85 . CA " B" 85 . C " B" 86 . N parsed_5gwm 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -23.64 . " B" 85 . C " B" 86 . N " B" 86 . CA " B" 86 . C parsed_5gwm 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 179.36 . " B" 86 . N " B" 86 . CA " B" 86 . C " B" 87 . N parsed_5gwm 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -37.08 . " B" 86 . C " B" 87 . N " B" 87 . CA " B" 87 . C parsed_5gwm 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 14.20 . " B" 87 . N " B" 87 . CA " B" 87 . C " B" 88 . N parsed_5gwm 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -38.76 . " B" 87 . C " B" 88 . N " B" 88 . CA " B" 88 . C parsed_5gwm 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 17.96 . " B" 88 . N " B" 88 . CA " B" 88 . C " B" 89 . N parsed_5gwm 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -26.74 . " B" 88 . C " B" 89 . N " B" 89 . CA " B" 89 . C parsed_5gwm 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 5.84 . " B" 89 . N " B" 89 . CA " B" 89 . C " B" 90 . N parsed_5gwm 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -14.68 . " B" 92 . C " B" 93 . N " B" 93 . CA " B" 93 . C parsed_5gwm 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 5.36 . " B" 93 . N " B" 93 . CA " B" 93 . C " B" 94 . N parsed_5gwm 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -20.56 . " B" 93 . C " B" 94 . N " B" 94 . CA " B" 94 . C parsed_5gwm 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -0.52 . " B" 94 . N " B" 94 . CA " B" 94 . C " B" 95 . N parsed_5gwm 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -37.70 . " B" 94 . C " B" 95 . N " B" 95 . CA " B" 95 . C parsed_5gwm 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -4.52 . " B" 95 . N " B" 95 . CA " B" 95 . C " B" 96 . N parsed_5gwm 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.86 . " B" 95 . C " B" 96 . N " B" 96 . CA " B" 96 . C parsed_5gwm 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.96 . " B" 96 . N " B" 96 . CA " B" 96 . C " B" 97 . N parsed_5gwm 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.62 . " B" 96 . C " B" 97 . N " B" 97 . CA " B" 97 . C parsed_5gwm 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -23.66 . " B" 97 . N " B" 97 . CA " B" 97 . C " B" 98 . N parsed_5gwm 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.30 . " B" 97 . C " B" 98 . N " B" 98 . CA " B" 98 . C parsed_5gwm 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.66 . " B" 98 . N " B" 98 . CA " B" 98 . C " B" 99 . N parsed_5gwm 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -37.98 . " B" 98 . C " B" 99 . N " B" 99 . CA " B" 99 . C parsed_5gwm 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -8.96 . " B" 99 . N " B" 99 . CA " B" 99 . C " B" 100 . N parsed_5gwm 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -26.12 . " B" 99 . C " B" 100 . N " B" 100 . CA " B" 100 . C parsed_5gwm 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.06 . " B" 100 . N " B" 100 . CA " B" 100 . C " B" 101 . N parsed_5gwm 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -43.32 . " B" 100 . C " B" 101 . N " B" 101 . CA " B" 101 . C parsed_5gwm 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -25.28 . " B" 101 . N " B" 101 . CA " B" 101 . C " B" 102 . N parsed_5gwm 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -24.18 . " B" 101 . C " B" 102 . N " B" 102 . CA " B" 102 . C parsed_5gwm 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -22.50 . " B" 102 . N " B" 102 . CA " B" 102 . C " B" 103 . N parsed_5gwm 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.90 . " B" 102 . C " B" 103 . N " B" 103 . CA " B" 103 . C parsed_5gwm 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -21.76 . " B" 103 . N " B" 103 . CA " B" 103 . C " B" 104 . N parsed_5gwm 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.88 . " B" 103 . C " B" 104 . N " B" 104 . CA " B" 104 . C parsed_5gwm 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.38 . " B" 104 . N " B" 104 . CA " B" 104 . C " B" 105 . N parsed_5gwm 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.86 . " B" 104 . C " B" 105 . N " B" 105 . CA " B" 105 . C parsed_5gwm 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.12 . " B" 105 . N " B" 105 . CA " B" 105 . C " B" 106 . N parsed_5gwm 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.56 . " B" 105 . C " B" 106 . N " B" 106 . CA " B" 106 . C parsed_5gwm 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -27.12 . " B" 106 . N " B" 106 . CA " B" 106 . C " B" 107 . N parsed_5gwm 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -42.80 . " B" 106 . C " B" 107 . N " B" 107 . CA " B" 107 . C parsed_5gwm 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.98 . " B" 107 . N " B" 107 . CA " B" 107 . C " B" 108 . N parsed_5gwm 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.52 . " B" 107 . C " B" 108 . N " B" 108 . CA " B" 108 . C parsed_5gwm 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.48 . " B" 108 . N " B" 108 . CA " B" 108 . C " B" 109 . N parsed_5gwm 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.98 . " B" 108 . C " B" 109 . N " B" 109 . CA " B" 109 . C parsed_5gwm 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.66 . " B" 109 . N " B" 109 . CA " B" 109 . C " B" 110 . N parsed_5gwm 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.54 . " B" 109 . C " B" 110 . N " B" 110 . CA " B" 110 . C parsed_5gwm 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.64 . " B" 110 . N " B" 110 . CA " B" 110 . C " B" 111 . N parsed_5gwm 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -33.82 . " B" 110 . C " B" 111 . N " B" 111 . CA " B" 111 . C parsed_5gwm 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.20 . " B" 111 . N " B" 111 . CA " B" 111 . C " B" 112 . N parsed_5gwm 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.84 . " B" 111 . C " B" 112 . N " B" 112 . CA " B" 112 . C parsed_5gwm 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.02 . " B" 112 . N " B" 112 . CA " B" 112 . C " B" 113 . N parsed_5gwm 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.86 . " B" 112 . C " B" 113 . N " B" 113 . CA " B" 113 . C parsed_5gwm 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.92 . " B" 113 . N " B" 113 . CA " B" 113 . C " B" 114 . N parsed_5gwm 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.96 . " B" 113 . C " B" 114 . N " B" 114 . CA " B" 114 . C parsed_5gwm 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.76 . " B" 114 . N " B" 114 . CA " B" 114 . C " B" 115 . N parsed_5gwm 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -41.90 . " B" 114 . C " B" 115 . N " B" 115 . CA " B" 115 . C parsed_5gwm 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.66 . " B" 115 . N " B" 115 . CA " B" 115 . C " B" 116 . N parsed_5gwm 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.94 . " B" 115 . C " B" 116 . N " B" 116 . CA " B" 116 . C parsed_5gwm 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.86 . " B" 116 . N " B" 116 . CA " B" 116 . C " B" 117 . N parsed_5gwm 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.96 . " B" 116 . C " B" 117 . N " B" 117 . CA " B" 117 . C parsed_5gwm 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.84 . " B" 117 . N " B" 117 . CA " B" 117 . C " B" 118 . N parsed_5gwm 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.90 . " B" 117 . C " B" 118 . N " B" 118 . CA " B" 118 . C parsed_5gwm 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.62 . " B" 118 . N " B" 118 . CA " B" 118 . C " B" 119 . N parsed_5gwm 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.48 . " B" 118 . C " B" 119 . N " B" 119 . CA " B" 119 . C parsed_5gwm 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -24.84 . " B" 119 . N " B" 119 . CA " B" 119 . C " B" 120 . N parsed_5gwm 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.16 . " B" 119 . C " B" 120 . N " B" 120 . CA " B" 120 . C parsed_5gwm 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.84 . " B" 120 . N " B" 120 . CA " B" 120 . C " B" 121 . N parsed_5gwm 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.96 . " B" 120 . C " B" 121 . N " B" 121 . CA " B" 121 . C parsed_5gwm 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.66 . " B" 121 . N " B" 121 . CA " B" 121 . C " B" 122 . N parsed_5gwm 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -40.44 . " B" 121 . C " B" 122 . N " B" 122 . CA " B" 122 . C parsed_5gwm 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.20 . " B" 122 . N " B" 122 . CA " B" 122 . C " B" 123 . N parsed_5gwm 1
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.84 . " B" 122 . C " B" 123 . N " B" 123 . CA " B" 123 . C parsed_5gwm 1
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.00 . " B" 123 . N " B" 123 . CA " B" 123 . C " B" 124 . N parsed_5gwm 1
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.04 . " B" 123 . C " B" 124 . N " B" 124 . CA " B" 124 . C parsed_5gwm 1
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -9.22 . " B" 124 . N " B" 124 . CA " B" 124 . C " B" 125 . N parsed_5gwm 1
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.82 . " B" 124 . C " B" 125 . N " B" 125 . CA " B" 125 . C parsed_5gwm 1
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.32 . " B" 125 . N " B" 125 . CA " B" 125 . C " B" 126 . N parsed_5gwm 1
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.82 . " B" 125 . C " B" 126 . N " B" 126 . CA " B" 126 . C parsed_5gwm 1
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.70 . " B" 126 . N " B" 126 . CA " B" 126 . C " B" 127 . N parsed_5gwm 1
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.52 . " B" 126 . C " B" 127 . N " B" 127 . CA " B" 127 . C parsed_5gwm 1
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.60 . " B" 127 . N " B" 127 . CA " B" 127 . C " B" 128 . N parsed_5gwm 1
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.70 . " B" 127 . C " B" 128 . N " B" 128 . CA " B" 128 . C parsed_5gwm 1
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.10 . " B" 128 . N " B" 128 . CA " B" 128 . C " B" 129 . N parsed_5gwm 1
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -42.46 . " B" 128 . C " B" 129 . N " B" 129 . CA " B" 129 . C parsed_5gwm 1
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 14.28 . " B" 129 . N " B" 129 . CA " B" 129 . C " B" 130 . N parsed_5gwm 1
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -39.50 . " B" 129 . C " B" 130 . N " B" 130 . CA " B" 130 . C parsed_5gwm 1
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 20.26 . " B" 130 . N " B" 130 . CA " B" 130 . C " B" 131 . N parsed_5gwm 1
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.00 116.00 . " B" 130 . C " B" 131 . N " B" 131 . CA " B" 131 . C parsed_5gwm 1
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 28.66 . " B" 131 . N " B" 131 . CA " B" 131 . C " B" 132 . N parsed_5gwm 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: 6_1.tbl" 1 1 1 28 parsed_5gwm 1
stop_
save_
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