NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
39169 |
1spy   |
cing | recoord | 2-parsed | STAR | dihedral angle | 82 |
data_1spy_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1spy
_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_1spy 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1spy
_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 1spy "Master copy" parsed_1spy
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1spy
_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 1spy.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1spy 1
1 1spy.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 82 parsed_1spy 1
1 1spy.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1spy 1
1 1spy.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_1spy 1
1 1spy.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1spy 1
1 1spy.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_1spy 1
1 1spy.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1spy 1
1 1spy.mr . . XPLOR/CNS 8 distance NOE simple 0 parsed_1spy 1
1 1spy.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1spy 1
1 1spy.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_1spy 1
1 1spy.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1spy 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1spy
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1spy 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1spy 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1spy 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1spy 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -52.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1spy 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.5 -32.5 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1spy 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1spy 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1spy 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.5 -41.5 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1spy 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1spy 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_1spy 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.5 -36.5 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1spy 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -38.0 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_1spy 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.5 -24.5 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_1spy 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1spy 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -87.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1spy 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -107.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1spy 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -94.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1spy 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -51.5 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1spy 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.5 -40.5 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1spy 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1spy 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.5 -80.5 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1spy 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -31.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1spy 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1spy 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1spy 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1spy 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1spy 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -82.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1spy 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -88.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1spy 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1spy 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1spy 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1spy 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.5 -36.5 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1spy 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.5 -41.5 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1spy 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.5 -33.5 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1spy 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -84.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1spy 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -39.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1spy 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -111.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1spy 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -91.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1spy 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -109.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1spy 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -28.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1spy 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_1spy 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 75 . C . 76 . N . 76 . CA . 76 . C parsed_1spy 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -38.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1spy 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1spy 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1spy 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -39.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1spy 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_1spy 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_1spy 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1spy 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_1spy 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_1spy 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1spy 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_1spy 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_1spy 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_1spy 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_1spy 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1spy 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1spy 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1spy 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1spy 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_1spy 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1spy 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_1spy 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_1spy 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_1spy 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_1spy 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_1spy 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 220.0 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_1spy 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_1spy 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 80.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_1spy 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_1spy 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1spy 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 13 . N . 13 . CA . 13 . CB . 13 . OG1 parsed_1spy 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 27 . N . 27 . CA . 27 . CB . 27 . CG parsed_1spy 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG1 parsed_1spy 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 45 . N . 45 . CA . 45 . CB . 45 . CG parsed_1spy 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_1spy 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG parsed_1spy 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1spy 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 80 . N . 80 . CA . 80 . CB . 80 . CG parsed_1spy 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG parsed_1spy 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 DIHEDRAL RESTRAINTS" 1 1 2 2 parsed_1spy 1
2 "NOE RESTRAINTS" 167 1 169 2 parsed_1spy 1
stop_
save_
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