Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
42175 | 1y6u RC | 6479 | cing | 2-parsed | STAR | dihedral angle | 111 |
data_1y6u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1y6u
_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_1y6u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1y6u
_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 1y6u "Master copy" parsed_1y6u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1y6u
_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 1y6u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1y6u 1
1 1y6u.mr . . XPLOR/CNS 2 distance NOE simple 932 parsed_1y6u 1
1 1y6u.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 111 parsed_1y6u 1
1 1y6u.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1y6u 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1y6u
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.4 -28.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1y6u 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.1 225.9 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1y6u 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.8 -7.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1y6u 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.2 178.6 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1y6u 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -29.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1y6u 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 12.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_1y6u 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -26.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1y6u 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_1y6u 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1y6u 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.9 -7.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1y6u 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.6 184.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1y6u 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1y6u 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.1 -53.5 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1y6u 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.3 185.3 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1y6u 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.1 -72.1 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1y6u 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.7 180.7 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1y6u 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.0 -45.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1y6u 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.0 194.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1y6u 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.4 -31.4 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1y6u 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.9 -5.9 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_1y6u 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.6 -34.6 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_1y6u 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -12.6 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_1y6u 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -34.7 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1y6u 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 0.4 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1y6u 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.9 -34.9 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1y6u 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.2 -11.2 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_1y6u 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.2 -33.2 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1y6u 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.3 -10.3 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1y6u 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.7 -35.7 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1y6u 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.4 -7.4 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_1y6u 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.3 -32.3 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1y6u 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 3.1 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_1y6u 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.9 -44.1 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_1y6u 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 64.9 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_1y6u 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_1y6u 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1y6u 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.7 -59.5 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1y6u 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.7 177.9 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1y6u 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.9 -33.9 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1y6u 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.3 -1.7 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1y6u 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.6 -34.6 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1y6u 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.9 -8.9 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_1y6u 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.8 -35.8 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1y6u 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.6 -8.6 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1y6u 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.1 -33.1 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1y6u 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.7 -11.7 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_1y6u 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.9 -36.9 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1y6u 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 -8.8 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_1y6u 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.7 -35.7 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_1y6u 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.4 -9.4 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_1y6u 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.9 -31.9 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1y6u 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -9.6 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_1y6u 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.0 -33.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_1y6u 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 -8.8 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_1y6u 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1y6u 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1y6u 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -63.6 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1y6u 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.6 57.2 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1y6u 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1y6u 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 31.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1y6u 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.2 -65.2 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1y6u 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 46.4 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_1y6u 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.1 -32.9 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1y6u 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 17.1 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_1y6u 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1y6u 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -197.7 -23.9 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1y6u 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.7 184.9 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1y6u 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.0 -89.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1y6u 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 173.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_1y6u 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.1 -64.7 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1y6u 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.2 181.6 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_1y6u 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.1 -12.3 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1y6u 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 187.4 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_1y6u 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1y6u 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.6 -57.4 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1y6u 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.4 200.8 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_1y6u 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.7 -59.9 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1y6u 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.8 166.8 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1y6u 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.8 -50.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1y6u 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.7 183.5 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1y6u 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1y6u 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.1 -25.9 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1y6u 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.8 207.4 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_1y6u 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.2 -24.6 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1y6u 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -3.6 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_1y6u 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -36.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1y6u 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_1y6u 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.9 -34.9 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1y6u 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.3 -11.3 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_1y6u 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.3 -33.3 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1y6u 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.2 -9.2 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_1y6u 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -41.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1y6u 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -1.0 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_1y6u 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -49.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1y6u 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 33.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1y6u 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -37.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1y6u 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -6.0 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_1y6u 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -31.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1y6u 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -3.0 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_1y6u 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -44.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1y6u 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 16.0 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_1y6u 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -29.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1y6u 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 67.0 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_1y6u 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_1y6u 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_1y6u 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 17 . N . 17 . CA . 17 . CB . 17 . CG parsed_1y6u 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_1y6u 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG parsed_1y6u 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . N . 39 . CA . 39 . CB . 39 . CG parsed_1y6u 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_1y6u 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 64 . N . 64 . CA . 64 . CB . 64 . CG parsed_1y6u 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 constraints
I6 (TALOS: Phi -100.1 +/- 23.8 , TALOS: Psi 137.0 +/- 29.6 )
;
3 1 6 64 parsed_1y6u 1
2 "P7 (TALOS: Phi -88.8 +/- 27.0 , TALOS: Psi 126.9 +/- 17.2 )" 11 1 11 62 parsed_1y6u 1
3 "I8 (TALOS: Phi -59.0 +/- 5.0 , TALOS: Psi -24.0 +/- 12.0 ) new 6/10/2004 (9/10)" 16 1 16 84 parsed_1y6u 1
4 "W9 (TALOS: Phi -83.0 +/- 19.0 , TALOS: Psi 0.0 +/- 9.0 ) new 6/10/2004 (9/10)" 21 1 21 83 parsed_1y6u 1
5 E10 26 1 26 6 parsed_1y6u 1
6 "R11 (TALOS: Phi -77.9 +/- 23.3 , TALOS: Psi 125.7 +/- 19.7 )" 29 1 29 63 parsed_1y6u 1
7 "Y12 (Restricted to -PHI 2/5)" 34 1 34 30 parsed_1y6u 1
8 "T13 (TALOS: Phi -126.8 +/- 24.4 , TALOS: Psi 140.3 +/- 15.0 )" 37 1 37 64 parsed_1y6u 1
9 "L14 (TALOS: Phi -120.6 +/- 16.2 , TALOS: Psi 138.2 +/- 14.2 )" 42 1 42 64 parsed_1y6u 1
10 "T15 (TALOS: Phi -81.0 +/- 12.0 , TALOS: Psi 164.0 +/- 7.0 )" 47 1 47 63 parsed_1y6u 1
11 "I16 (TALOS: Phi -61.4 +/- 6.1 , TALOS: Psi -35.9 +/- 7.5 )" 52 1 52 63 parsed_1y6u 1
12 "E17 (TALOS: Phi -64.6 +/- 5.7 , TALOS: Psi -42.6 +/- 7.9 )" 57 1 57 63 parsed_1y6u 1
13 "E18 (TALOS: Phi -64.7 +/- 7.0 , TALOS: Psi -36.8 +/- 12.4 )" 62 1 62 63 parsed_1y6u 1
14 "A19 (TALOS: Phi -64.9 +/- 8.7 , TALOS: Psi -41.2 +/- 8.8 )" 67 1 67 63 parsed_1y6u 1
15 "S20 (TALOS: Phi -63.2 +/- 7.3 , TALOS: Psi -40.3 +/- 2.9 )" 72 1 72 63 parsed_1y6u 1
16 "K21 (TALOS: Phi -65.7 +/- 6.2 , TALOS: Psi -37.4 +/- 8.4 )" 77 1 77 63 parsed_1y6u 1
17 "Y22 (TALOS: Phi -62.3 +/- 4.7 , TALOS: Psi -26.9 +/- 8.5 )" 82 1 82 63 parsed_1y6u 1
18 "F23 (TALOS: Phi -91.5 +/- 15.8 , TALOS: Psi 1.8 +/- 21.1 )" 87 1 87 62 parsed_1y6u 1
19 "R24 -PHI RES" 92 1 92 14 parsed_1y6u 1
20 "I25 (TALOS: Phi -117.1 +/- 19.2 , TALOS: Psi 131.3 +/- 15.5 )" 97 1 97 64 parsed_1y6u 1
21 "E27 (TALOS: Phi -63.9 +/- 6.5 , TALOS: Psi -41.5 +/- 13.2 )" 102 1 102 63 parsed_1y6u 1
22 "N28 (TALOS: Phi -64.6 +/- 4.6 , TALOS: Psi -38.9 +/- 3.9 )" 107 1 107 63 parsed_1y6u 1
23 "K29 (TALOS: Phi -65.8 +/- 7.1 , TALOS: Psi -38.6 +/- 7.8 )" 112 1 112 63 parsed_1y6u 1
24 "L30 (TALOS: Phi -63.1 +/- 7.0 , TALOS: Psi -41.7 +/- 4.8 )" 117 1 117 63 parsed_1y6u 1
25 "R31 (TALOS: Phi -66.9 +/- 5.1 , TALOS: Psi -38.8 +/- 7.1 )" 122 1 122 63 parsed_1y6u 1
26 "R32 (TALOS: Phi -65.7 +/- 6.3 , TALOS: Psi -39.4 +/- 8.0 )" 127 1 127 63 parsed_1y6u 1
27 "L33 (TALOS: Phi -61.9 +/- 6.2 , TALOS: Psi -40.7 +/- 10.3 )" 132 1 132 63 parsed_1y6u 1
28 "A34 (TALOS: Phi -63.0 +/- 5.2 , TALOS: Psi -38.8 +/- 9.9 )" 137 1 137 63 parsed_1y6u 1
29 "E35 (TALOS: Phi -66.0 +/- 7.0 , TALOS: Psi -35.0 +/- 7.0 )" 142 1 142 65 parsed_1y6u 1
30 E36 147 1 147 5 parsed_1y6u 1
31 K38 152 1 152 6 parsed_1y6u 1
32 "N39 (TALOS: Phi -95.2 +/- 6.8 , TALOS: Psi -8.9 +/- 18.4 )" 157 1 157 63 parsed_1y6u 1
33 "N41 (TALOS: Phi -73.5 +/- 13.5 , TALOS: Psi -19.9 +/- 12.3 )" 162 1 162 63 parsed_1y6u 1
34 W42 167 1 167 5 parsed_1y6u 1
35 "L43 (TALOS: Phi -110.8 +/- 29.0 , TALOS: Psi 134.8 +/- 16.7 )" 170 1 170 64 parsed_1y6u 1
36 "I44 (TALOS: Phi -128.0 +/- 13.0 , TALOS: Psi 131.0 +/- 14.0 )" 175 1 175 65 parsed_1y6u 1
37 "M45 (TALOS: Phi -107.4 +/- 14.2 , TALOS: Psi 126.9 +/- 18.2 )" 180 1 180 64 parsed_1y6u 1
38 "N46 (TALOS: Phi -82.7 +/- 23.5 , TALOS: Psi 131.7 +/- 18.6 )" 185 1 185 63 parsed_1y6u 1
39 N48 190 1 190 6 parsed_1y6u 1
40 "R49 (TALOS: Phi -109.0 +/- 17.2 , TALOS: Psi 126.6 +/- 24.8 )" 193 1 193 64 parsed_1y6u 1
41 "I50 (TALOS: Phi -106.8 +/- 15.6 , TALOS: Psi 130.3 +/- 12.2 )" 198 1 198 64 parsed_1y6u 1
42 "Q51 (TALOS: Phi -116.4 +/- 22.1 , TALOS: Psi 140.1 +/- 14.5 )" 203 1 203 64 parsed_1y6u 1
43 I52 208 1 208 6 parsed_1y6u 1
44 "K53 (TALOS: Phi -83.5 +/- 19.2 , TALOS: Psi 118.6 +/- 29.6 )" 211 1 211 63 parsed_1y6u 1
45 "R54 (TALOS: Phi -63.9 +/- 13.1 , TALOS: Psi -43.4 +/- 13.2 )" 216 1 216 63 parsed_1y6u 1
46 "K55 (TALOS: Phi -66.0 +/- 6.2 , TALOS: Psi -35.0 +/- 7.1 )" 221 1 221 63 parsed_1y6u 1
47 "F57 (TALOS: Phi -64.9 +/- 7.0 , TALOS: Psi -41.3 +/- 4.6 )" 226 1 226 63 parsed_1y6u 1
48 "E58 (TALOS: Phi -63.3 +/- 4.1 , TALOS: Psi -39.2 +/- 8.3 )" 231 1 231 63 parsed_1y6u 1
49 "K59 (TALOS: Phi -71.0 +/- 10.0 , TALOS: Psi -31.0 +/- 9.0 )" 236 1 236 63 parsed_1y6u 1
50 "I60 (TALOS: Phi -91.0 +/- 14.0 , TALOS: Psi -15.0 +/- 16.0 )" 241 1 241 63 parsed_1y6u 1
51 "I61 (TALOS: Phi -61.0 +/- 8.0 , TALOS: Psi -36.0 +/- 10.0 ) 8/10" 246 1 246 69 parsed_1y6u 1
52 "D62 (TALOS: Phi -64.0 +/- 11.0 , TALOS: Psi -33.0 +/- 10.0 )" 251 1 251 65 parsed_1y6u 1
53 "T63 (TALOS: Phi -80.0 +/- 12.0 , TALOS: Psi -17.0 +/- 11.0 )" 256 1 256 63 parsed_1y6u 1
54 "L64 (TALOS: Phi -77.0 +/- 16.0 , TALOS: Psi -23.0 +/- 30.0 )" 261 1 261 63 parsed_1y6u 1
55
;
CHI angle restraints
!R11 (+60)
;
270 1 272 12 parsed_1y6u 1
56 "!L14 (-60)" 276 1 276 12 parsed_1y6u 1
57 "!E17 (60)" 279 1 279 11 parsed_1y6u 1
58 "!F23 (-60)" 282 1 282 12 parsed_1y6u 1
59 "!R24 (-60)" 285 1 285 12 parsed_1y6u 1
60
;
(resid 30 and name CB) (resid 30 and name CG) 1.0 60.0 30.0 2
!N39 (-60)
;
288 1 289 12 parsed_1y6u 1
61 "!N46 (-60)" 292 1 292 12 parsed_1y6u 1
62 "!L64 (-60)" 295 1 295 12 parsed_1y6u 1
stop_
save_