NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
31581 |
1el2   |
4692 | cing | 2-parsed | STAR | dihedral angle | 59 |
data_1el2_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1el2
_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_1el2 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1el2
_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 1el2 "Master copy" parsed_1el2
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1el2
_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 1el2.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1el2 1
1 1el2.mr . . XPLOR/CNS 2 distance NOE simple 544 parsed_1el2 1
1 1el2.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1el2 1
1 1el2.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1el2 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1el2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 1 . C5 A 1 . C4 A 1 . N4 A 1 . H42 parsed_1el2 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 1 . C5 A 1 . C4 A 1 . N4 A 1 . H41 parsed_1el2 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 2 . C5 A 2 . C4 A 2 . N4 A 2 . H42 parsed_1el2 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 2 . C5 A 2 . C4 A 2 . N4 A 2 . H41 parsed_1el2 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 3 . C5 A 3 . C4 A 3 . N4 A 3 . H42 parsed_1el2 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 3 . C5 A 3 . C4 A 3 . N4 A 3 . H41 parsed_1el2 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 9 . C5 A 9 . C4 A 9 . N4 A 9 . H42 parsed_1el2 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 9 . C5 A 9 . C4 A 9 . N4 A 9 . H41 parsed_1el2 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 7 . C5 A 7 . C4 A 7 . N4 A 7 . H42 parsed_1el2 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 7 . C5 A 7 . C4 A 7 . N4 A 7 . H41 parsed_1el2 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 8 . C5 A 8 . C4 A 8 . N4 A 8 . H42 parsed_1el2 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 8 . C5 A 8 . C4 A 8 . N4 A 8 . H41 parsed_1el2 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 13 . C5 A 13 . C4 A 13 . N4 A 13 . H42 parsed_1el2 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 13 . C5 A 13 . C4 A 13 . N4 A 13 . H41 parsed_1el2 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 15 . C5 A 15 . C4 A 15 . N4 A 15 . H42 parsed_1el2 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 15 . C5 A 15 . C4 A 15 . N4 A 15 . H41 parsed_1el2 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 14 . C5 A 14 . C4 A 14 . N4 A 14 . H42 parsed_1el2 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 14 . C5 A 14 . C4 A 14 . N4 A 14 . H41 parsed_1el2 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 19 . C5 A 19 . C4 A 19 . N4 A 19 . H42 parsed_1el2 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 19 . C5 A 19 . C4 A 19 . N4 A 19 . H41 parsed_1el2 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 21 . C5 A 21 . C4 A 21 . N4 A 21 . H42 parsed_1el2 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 21 . C5 A 21 . C4 A 21 . N4 A 21 . H41 parsed_1el2 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1 1 . A 20 . C5 A 20 . C4 A 20 . N4 A 20 . H42 parsed_1el2 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 179 181 . A 20 . C5 A 20 . C4 A 20 . N4 A 20 . H41 parsed_1el2 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 340 . A 18 . O4' A 18 . C1' A 18 . N1 A 18 . C2 parsed_1el2 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 1 . C4' A 1 . C3' A 1 . O3' A 2 . P parsed_1el2 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 2 . C4' A 2 . C3' A 2 . O3' A 3 . P parsed_1el2 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 3 . C4' A 3 . C3' A 3 . O3' A 4 . P parsed_1el2 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 4 . C4' A 4 . C3' A 4 . O3' A 5 . P parsed_1el2 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 5 . C4' A 5 . C3' A 5 . O3' A 6 . P parsed_1el2 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 6 . C4' A 6 . C3' A 6 . O3' A 7 . P parsed_1el2 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 7 . C4' A 7 . C3' A 7 . O3' A 8 . P parsed_1el2 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 8 . C4' A 8 . C3' A 8 . O3' A 9 . P parsed_1el2 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 9 . C4' A 9 . C3' A 9 . O3' A 10 . P parsed_1el2 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 10 . C4' A 10 . C3' A 10 . O3' A 11 . P parsed_1el2 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 11 . C4' A 11 . C3' A 11 . O3' A 12 . P parsed_1el2 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 12 . C4' A 12 . C3' A 12 . O3' A 13 . P parsed_1el2 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 13 . C4' A 13 . C3' A 13 . O3' A 14 . P parsed_1el2 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 14 . C4' A 14 . C3' A 14 . O3' A 15 . P parsed_1el2 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 15 . C4' A 15 . C3' A 15 . O3' A 16 . P parsed_1el2 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 16 . C4' A 16 . C3' A 16 . O3' A 17 . P parsed_1el2 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 17 . C4' A 17 . C3' A 17 . O3' A 18 . P parsed_1el2 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 18 . C4' A 18 . C3' A 18 . O3' A 19 . P parsed_1el2 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 19 . C4' A 19 . C3' A 19 . O3' A 20 . P parsed_1el2 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 20 . C4' A 20 . C3' A 20 . O3' A 21 . P parsed_1el2 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 380 . A 21 . C4' A 21 . C3' A 21 . O3' A 22 . P parsed_1el2 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 300 . A 10 . C4' A 10 . C3' A 10 . O3' A 11 . P parsed_1el2 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 300 . A 11 . C4' A 11 . C3' A 11 . O3' A 12 . P parsed_1el2 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 300 . A 12 . C4' A 12 . C3' A 12 . O3' A 13 . P parsed_1el2 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 300 . A 19 . C4' A 19 . C3' A 19 . O3' A 20 . P parsed_1el2 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 300 . A 21 . C4' A 21 . C3' A 21 . O3' A 22 . P parsed_1el2 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 140 . A 10 . C4' A 10 . C3' A 10 . O3' A 11 . P parsed_1el2 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 140 . A 11 . C4' A 11 . C3' A 11 . O3' A 12 . P parsed_1el2 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 140 . A 12 . C4' A 12 . C3' A 12 . O3' A 13 . P parsed_1el2 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 140 . A 19 . C4' A 19 . C3' A 19 . O3' A 20 . P parsed_1el2 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 140 . A 21 . C4' A 21 . C3' A 21 . O3' A 22 . P parsed_1el2 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20 100 . A 4 . O4' A 4 . C1' A 4 . N1 A 4 . C2 parsed_1el2 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10 10 . A 17 . C6 A 17 . N7 A 6 . H62 A 6 . N6 parsed_1el2 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170 190 . A 17 . C8 A 17 . N7 A 6 . H62 A 6 . N6 parsed_1el2 1
stop_
save_
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