NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
614269 |
1st7   |
6188 | cing | 2-parsed | STAR | dihedral angle | 131 |
data_1st7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1st7
_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_1st7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1st7
_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 1st7 "Master copy" parsed_1st7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1st7
_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 1st7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1st7 1
1 1st7.mr . . XPLOR/CNS 2 distance NOE simple 1040 parsed_1st7 1
1 1st7.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 13 parsed_1st7 1
1 1st7.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 131 parsed_1st7 1
1 1st7.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1st7 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1st7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1st7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -38.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1st7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_1st7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -44.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1st7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -18.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_1st7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -38.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1st7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1st7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -42.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1st7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -13.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1st7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -44.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1st7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -13.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1st7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1st7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_1st7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1st7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -16.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_1st7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1st7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1st7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1st7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -5.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1st7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1st7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1st7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1st7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1st7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1st7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -32.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1st7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -34.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1st7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_1st7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1st7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -13.0 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_1st7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -42.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1st7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -18.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_1st7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1st7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1st7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1st7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1st7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1st7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1st7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1st7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1st7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1st7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -16.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_1st7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1st7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1st7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1st7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_1st7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1st7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_1st7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -42.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1st7 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_1st7 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -45.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1st7 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -11.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_1st7 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.0 -54.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1st7 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 0.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_1st7 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1st7 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1st7 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1st7 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -26.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1st7 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.0 183.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1st7 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1st7 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -32.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1st7 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.0 202.0 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_1st7 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -26.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1st7 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -40.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1st7 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1st7 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -37.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1st7 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 3.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1st7 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 3.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1st7 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1st7 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1st7 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1st7 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1st7 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -11.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1st7 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -42.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1st7 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -18.0 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_1st7 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1st7 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -10.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_1st7 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1st7 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_1st7 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -45.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1st7 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_1st7 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1st7 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_1st7 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1st7 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -51.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1st7 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -5.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_1st7 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1st7 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -50.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1st7 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 31.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1st7 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 3.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1st7 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1st7 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 3.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1st7 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1st7 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1st7 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -11.0 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_1st7 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1st7 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_1st7 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1st7 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_1st7 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1st7 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_1st7 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1st7 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -18.0 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_1st7 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -38.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1st7 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -13.0 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_1st7 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1st7 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -16.0 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_1st7 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -50.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1st7 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_1st7 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1st7 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -18.0 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_1st7 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1st7 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_1st7 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_1st7 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -17.0 . . 76 . N . 76 . CA . 76 . C . 77 . N parsed_1st7 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -43.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1st7 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_1st7 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -39.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1st7 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_1st7 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -45.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1st7 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -13.0 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_1st7 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1st7 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -15.0 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_1st7 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -41.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1st7 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -14.0 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_1st7 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -38.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_1st7 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -16.0 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_1st7 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_1st7 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.0 -62.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_1st7 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 13.0 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_1st7 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -18.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_1st7 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_1st7 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
;
Phi and psi dihedral angles for yACBP
Experimental and predicted values (TALOS)
;
1 1 4 43 parsed_1st7 1
2 2 6 1 6 3 parsed_1st7 1
3 3 9 1 9 3 parsed_1st7 1
4 5 14 1 14 3 parsed_1st7 1
5 6 19 1 19 3 parsed_1st7 1
6 7 24 1 24 3 parsed_1st7 1
7 8 29 1 29 3 parsed_1st7 1
8 9 34 1 34 3 parsed_1st7 1
9 10 39 1 39 4 parsed_1st7 1
10 11 44 1 44 4 parsed_1st7 1
11 12 49 1 49 4 parsed_1st7 1
12 13 54 1 54 4 parsed_1st7 1
13 "14 3J=7.9 Hz" 57 1 57 14 parsed_1st7 1
14 15 60 1 60 4 parsed_1st7 1
15 "17 3J=7.8 Hz" 63 1 63 14 parsed_1st7 1
16 18 66 1 66 4 parsed_1st7 1
17 20 69 1 69 4 parsed_1st7 1
18 21 72 1 72 4 parsed_1st7 1
19 22 77 1 77 4 parsed_1st7 1
20 23 82 1 82 4 parsed_1st7 1
21 24 87 1 87 4 parsed_1st7 1
22 25 92 1 92 4 parsed_1st7 1
23 26 97 1 97 4 parsed_1st7 1
24 27 102 1 102 4 parsed_1st7 1
25 28 107 1 107 4 parsed_1st7 1
26 29 112 1 112 4 parsed_1st7 1
27 30 117 1 117 4 parsed_1st7 1
28 31 122 1 122 4 parsed_1st7 1
29 32 127 1 127 4 parsed_1st7 1
30 33 132 1 132 4 parsed_1st7 1
31 34 137 1 137 4 parsed_1st7 1
32 "35 3J=7.4 Hz" 142 1 142 14 parsed_1st7 1
33 "36 3J=7.8 Hz" 145 1 145 14 parsed_1st7 1
34 37 148 1 148 4 parsed_1st7 1
35 38 151 1 151 4 parsed_1st7 1
36 "40 3J=8.4 Hz" 156 1 156 14 parsed_1st7 1
37 "41 3J>6 Hz but TALOS OK" 159 1 159 25 parsed_1st7 1
38 42 164 1 164 5 parsed_1st7 1
39 43 167 1 167 4 parsed_1st7 1
40 45 172 1 172 4 parsed_1st7 1
41 46 175 1 175 4 parsed_1st7 1
42 47 178 1 178 4 parsed_1st7 1
43 "49 negativ phi vinkel antaget" 181 1 181 31 parsed_1st7 1
44 50 184 1 184 4 parsed_1st7 1
45 51 189 1 189 4 parsed_1st7 1
46 52 194 1 194 4 parsed_1st7 1
47 53 199 1 199 4 parsed_1st7 1
48 54 204 1 204 4 parsed_1st7 1
49 55 209 1 209 4 parsed_1st7 1
50 56 214 1 214 4 parsed_1st7 1
51 57 219 1 219 4 parsed_1st7 1
52 58 222 1 222 4 parsed_1st7 1
53 59 227 1 227 4 parsed_1st7 1
54 60 230 1 230 4 parsed_1st7 1
55 61 235 1 235 4 parsed_1st7 1
56
;
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 5.0 124 35.0 2
62
;
238 1 240 4 parsed_1st7 1
57
;
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 5.0 136 30.0 2
64
;
243 1 245 4 parsed_1st7 1
58 65 248 1 248 4 parsed_1st7 1
59 66 251 1 251 4 parsed_1st7 1
60 67 256 1 256 4 parsed_1st7 1
61 68 261 1 261 4 parsed_1st7 1
62 69 266 1 266 4 parsed_1st7 1
63 70 271 1 271 4 parsed_1st7 1
64 71 276 1 276 4 parsed_1st7 1
65 72 281 1 281 4 parsed_1st7 1
66 73 286 1 286 4 parsed_1st7 1
67 74 291 1 291 4 parsed_1st7 1
68 75 296 1 296 4 parsed_1st7 1
69 76 301 1 301 4 parsed_1st7 1
70 77 306 1 306 4 parsed_1st7 1
71 78 311 1 311 4 parsed_1st7 1
72 79 316 1 316 4 parsed_1st7 1
73 80 321 1 321 4 parsed_1st7 1
74 81 326 1 326 4 parsed_1st7 1
75 82 331 1 331 4 parsed_1st7 1
76 83 336 1 336 4 parsed_1st7 1
77 84 339 1 339 4 parsed_1st7 1
78 85 344 1 344 4 parsed_1st7 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 DIhed" 5 1 5 16 parsed_1st7 1
2 end 349 1 349 3 parsed_1st7 1
stop_
save_
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