NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
620292 |
5szw   |
30155 | cing | 2-parsed | STAR | dihedral angle | 112 |
data_5szw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5szw
_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_5szw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5szw
_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 5szw "Master copy" parsed_5szw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5szw
_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 5szw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5szw 1
1 5szw.mr . . XPLOR/CNS 2 distance NOE ambi 1644 parsed_5szw 1
1 5szw.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 112 parsed_5szw 1
1 5szw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5szw 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5szw
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -41.02 . " A" 20 . C " A" 21 . N " A" 21 . CA " A" 21 . C parsed_5szw 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 170.30 . " A" 21 . N " A" 21 . CA " A" 21 . C " A" 22 . N parsed_5szw 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -89.34 . " A" 21 . C " A" 22 . N " A" 22 . CA " A" 22 . C parsed_5szw 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 153.40 . " A" 22 . N " A" 22 . CA " A" 22 . C " A" 23 . N parsed_5szw 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.24 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_5szw 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 162.00 . " A" 23 . N " A" 23 . CA " A" 23 . C " A" 24 . N parsed_5szw 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -90.00 . " A" 23 . C " A" 24 . N " A" 24 . CA " A" 24 . C parsed_5szw 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 150.00 . " A" 24 . N " A" 24 . CA " A" 24 . C " A" 25 . N parsed_5szw 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -84.36 . " A" 24 . C " A" 25 . N " A" 25 . CA " A" 25 . C parsed_5szw 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 188.76 . " A" 25 . N " A" 25 . CA " A" 25 . C " A" 26 . N parsed_5szw 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -59.70 . " A" 26 . C " A" 27 . N " A" 27 . CA " A" 27 . C parsed_5szw 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 179.12 . " A" 27 . N " A" 27 . CA " A" 27 . C " A" 28 . N parsed_5szw 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -32.08 . " A" 27 . C " A" 28 . N " A" 28 . CA " A" 28 . C parsed_5szw 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 186.36 . " A" 28 . N " A" 28 . CA " A" 28 . C " A" 29 . N parsed_5szw 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.86 . " A" 28 . C " A" 29 . N " A" 29 . CA " A" 29 . C parsed_5szw 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 17.74 . " A" 29 . N " A" 29 . CA " A" 29 . C " A" 30 . N parsed_5szw 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -50.22 . " A" 29 . C " A" 30 . N " A" 30 . CA " A" 30 . C parsed_5szw 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 19.92 . " A" 30 . N " A" 30 . CA " A" 30 . C " A" 31 . N parsed_5szw 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -45.24 . " A" 32 . C " A" 33 . N " A" 33 . CA " A" 33 . C parsed_5szw 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -13.64 . " A" 33 . N " A" 33 . CA " A" 33 . C " A" 34 . N parsed_5szw 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.86 . " A" 33 . C " A" 34 . N " A" 34 . CA " A" 34 . C parsed_5szw 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.90 . " A" 34 . N " A" 34 . CA " A" 34 . C " A" 35 . N parsed_5szw 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.18 . " A" 34 . C " A" 35 . N " A" 35 . CA " A" 35 . C parsed_5szw 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -27.34 . " A" 35 . N " A" 35 . CA " A" 35 . C " A" 36 . N parsed_5szw 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.74 . " A" 35 . C " A" 36 . N " A" 36 . CA " A" 36 . C parsed_5szw 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.82 . " A" 36 . N " A" 36 . CA " A" 36 . C " A" 37 . N parsed_5szw 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.86 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_5szw 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.56 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_5szw 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.92 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_5szw 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -28.02 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_5szw 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.22 . " A" 38 . C " A" 39 . N " A" 39 . CA " A" 39 . C parsed_5szw 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.74 . " A" 39 . N " A" 39 . CA " A" 39 . C " A" 40 . N parsed_5szw 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.42 . " A" 39 . C " A" 40 . N " A" 40 . CA " A" 40 . C parsed_5szw 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -13.02 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_5szw 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.32 . " A" 40 . C " A" 41 . N " A" 41 . CA " A" 41 . C parsed_5szw 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -10.70 . " A" 41 . N " A" 41 . CA " A" 41 . C " A" 42 . N parsed_5szw 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.00 . " A" 41 . C " A" 42 . N " A" 42 . CA " A" 42 . C parsed_5szw 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 0.66 . " A" 42 . N " A" 42 . CA " A" 42 . C " A" 43 . N parsed_5szw 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -78.74 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_5szw 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 164.12 . " A" 46 . N " A" 46 . CA " A" 46 . C " A" 47 . N parsed_5szw 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -50.04 . " A" 46 . C " A" 47 . N " A" 47 . CA " A" 47 . C parsed_5szw 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.70 . " A" 47 . N " A" 47 . CA " A" 47 . C " A" 48 . N parsed_5szw 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 -497.44 . " A" 47 . C " A" 48 . N " A" 48 . CA " A" 48 . C parsed_5szw 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.00 197.38 . " A" 48 . N " A" 48 . CA " A" 48 . C " A" 49 . N parsed_5szw 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -71.10 . " A" 48 . C " A" 49 . N " A" 49 . CA " A" 49 . C parsed_5szw 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 160.48 . " A" 49 . N " A" 49 . CA " A" 49 . C " A" 50 . N parsed_5szw 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -98.74 . " A" 49 . C " A" 50 . N " A" 50 . CA " A" 50 . C parsed_5szw 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 157.90 . " A" 50 . N " A" 50 . CA " A" 50 . C " A" 51 . N parsed_5szw 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -79.86 . " A" 50 . C " A" 51 . N " A" 51 . CA " A" 51 . C parsed_5szw 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 149.56 . " A" 51 . N " A" 51 . CA " A" 51 . C " A" 52 . N parsed_5szw 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -87.62 . " A" 51 . C " A" 52 . N " A" 52 . CA " A" 52 . C parsed_5szw 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 159.86 . " A" 52 . N " A" 52 . CA " A" 52 . C " A" 53 . N parsed_5szw 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -79.30 . " A" 52 . C " A" 53 . N " A" 53 . CA " A" 53 . C parsed_5szw 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 168.12 . " A" 53 . N " A" 53 . CA " A" 53 . C " A" 54 . N parsed_5szw 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -40.56 . " A" 53 . C " A" 54 . N " A" 54 . CA " A" 54 . C parsed_5szw 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 177.90 . " A" 54 . N " A" 54 . CA " A" 54 . C " A" 55 . N parsed_5szw 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -138.76 . " A" 62 . C " A" 63 . N " A" 63 . CA " A" 63 . C parsed_5szw 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 208.72 . " A" 63 . N " A" 63 . CA " A" 63 . C " A" 64 . N parsed_5szw 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 -487.48 . " A" 63 . C " A" 64 . N " A" 64 . CA " A" 64 . C parsed_5szw 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 206.58 . " A" 64 . N " A" 64 . CA " A" 64 . C " A" 65 . N parsed_5szw 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -101.28 . " A" 64 . C " A" 65 . N " A" 65 . CA " A" 65 . C parsed_5szw 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 199.54 . " A" 65 . N " A" 65 . CA " A" 65 . C " A" 66 . N parsed_5szw 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -73.12 . " A" 65 . C " A" 66 . N " A" 66 . CA " A" 66 . C parsed_5szw 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 165.90 . " A" 66 . N " A" 66 . CA " A" 66 . C " A" 67 . N parsed_5szw 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -32.92 . " A" 66 . C " A" 67 . N " A" 67 . CA " A" 67 . C parsed_5szw 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 152.20 . " A" 67 . N " A" 67 . CA " A" 67 . C " A" 68 . N parsed_5szw 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -33.40 . " A" 70 . C " A" 71 . N " A" 71 . CA " A" 71 . C parsed_5szw 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -0.06 . " A" 71 . N " A" 71 . CA " A" 71 . C " A" 72 . N parsed_5szw 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.06 . " A" 71 . C " A" 72 . N " A" 72 . CA " A" 72 . C parsed_5szw 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -11.18 . " A" 72 . N " A" 72 . CA " A" 72 . C " A" 73 . N parsed_5szw 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.92 . " A" 72 . C " A" 73 . N " A" 73 . CA " A" 73 . C parsed_5szw 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.38 . " A" 73 . N " A" 73 . CA " A" 73 . C " A" 74 . N parsed_5szw 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.80 . " A" 73 . C " A" 74 . N " A" 74 . CA " A" 74 . C parsed_5szw 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -14.22 . " A" 74 . N " A" 74 . CA " A" 74 . C " A" 75 . N parsed_5szw 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.68 . " A" 74 . C " A" 75 . N " A" 75 . CA " A" 75 . C parsed_5szw 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.90 . " A" 75 . N " A" 75 . CA " A" 75 . C " A" 76 . N parsed_5szw 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -46.52 . " A" 75 . C " A" 76 . N " A" 76 . CA " A" 76 . C parsed_5szw 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -16.00 . " A" 76 . N " A" 76 . CA " A" 76 . C " A" 77 . N parsed_5szw 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.32 . " A" 76 . C " A" 77 . N " A" 77 . CA " A" 77 . C parsed_5szw 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.58 . " A" 77 . N " A" 77 . CA " A" 77 . C " A" 78 . N parsed_5szw 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.34 . " A" 77 . C " A" 78 . N " A" 78 . CA " A" 78 . C parsed_5szw 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.52 . " A" 78 . N " A" 78 . CA " A" 78 . C " A" 79 . N parsed_5szw 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.76 . " A" 78 . C " A" 79 . N " A" 79 . CA " A" 79 . C parsed_5szw 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 6.78 . " A" 79 . N " A" 79 . CA " A" 79 . C " A" 80 . N parsed_5szw 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -46.54 . " A" 79 . C " A" 80 . N " A" 80 . CA " A" 80 . C parsed_5szw 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -4.98 . " A" 80 . N " A" 80 . CA " A" 80 . C " A" 81 . N parsed_5szw 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -45.90 . " A" 80 . C " A" 81 . N " A" 81 . CA " A" 81 . C parsed_5szw 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 36.84 . " A" 81 . N " A" 81 . CA " A" 81 . C " A" 82 . N parsed_5szw 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -30.20 . " A" 81 . C " A" 82 . N " A" 82 . CA " A" 82 . C parsed_5szw 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 160.00 . " A" 82 . N " A" 82 . CA " A" 82 . C " A" 83 . N parsed_5szw 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 116.10 . " A" 82 . C " A" 83 . N " A" 83 . CA " A" 83 . C parsed_5szw 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 27.04 . " A" 83 . N " A" 83 . CA " A" 83 . C " A" 84 . N parsed_5szw 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -44.06 . " A" 83 . C " A" 84 . N " A" 84 . CA " A" 84 . C parsed_5szw 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 185.80 . " A" 84 . N " A" 84 . CA " A" 84 . C " A" 85 . N parsed_5szw 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -65.70 . " A" 84 . C " A" 85 . N " A" 85 . CA " A" 85 . C parsed_5szw 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 147.60 . " A" 85 . N " A" 85 . CA " A" 85 . C " A" 86 . N parsed_5szw 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -42.26 . " A" 85 . C " A" 86 . N " A" 86 . CA " A" 86 . C parsed_5szw 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 170.80 . " A" 86 . N " A" 86 . CA " A" 86 . C " A" 87 . N parsed_5szw 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 70.00 . " A" 86 . C " A" 87 . N " A" 87 . CA " A" 87 . C parsed_5szw 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 69.78 . " A" 87 . N " A" 87 . CA " A" 87 . C " A" 88 . N parsed_5szw 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -92.78 . " A" 88 . C " A" 89 . N " A" 89 . CA " A" 89 . C parsed_5szw 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 188.60 . " A" 89 . N " A" 89 . CA " A" 89 . C " A" 90 . N parsed_5szw 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -9.44 . " A" 89 . C " A" 90 . N " A" 90 . CA " A" 90 . C parsed_5szw 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 177.50 . " A" 90 . N " A" 90 . CA " A" 90 . C " A" 91 . N parsed_5szw 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -88.04 . " A" 90 . C " A" 91 . N " A" 91 . CA " A" 91 . C parsed_5szw 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 163.16 . " A" 91 . N " A" 91 . CA " A" 91 . C " A" 92 . N parsed_5szw 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -81.88 . " A" 91 . C " A" 92 . N " A" 92 . CA " A" 92 . C parsed_5szw 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 166.48 . " A" 92 . N " A" 92 . CA " A" 92 . C " A" 93 . N parsed_5szw 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -80.88 . " A" 92 . C " A" 93 . N " A" 93 . CA " A" 93 . C parsed_5szw 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 151.60 . " A" 93 . N " A" 93 . CA " A" 93 . C " A" 94 . N parsed_5szw 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.04 . " A" 96 . C " A" 97 . N " A" 97 . CA " A" 97 . C parsed_5szw 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 156.84 . " A" 97 . N " A" 97 . CA " A" 97 . C " A" 98 . N parsed_5szw 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 2: dihedrals.tbl" 1 1 1 34 parsed_5szw 1
stop_
save_
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