NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
36134 |
1n0a   |
cing | 2-parsed | STAR | dihedral angle | 39 |
data_1n0a_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1n0a
_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_1n0a 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1n0a
_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 1n0a "Master copy" parsed_1n0a
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1n0a
_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 1n0a.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1n0a 1
1 1n0a.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1n0a 1
1 1n0a.mr . . DISCOVER 3 distance NOE simple 67 parsed_1n0a 1
1 1n0a.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_1n0a 1
1 1n0a.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1n0a 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1n0a
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . 1 0 ACE C 1 1 CYS N 1 1 CYS CA 1 1 CYS C parsed_1n0a 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 1 CYS C 1 2 THR N 1 2 THR CA 1 2 THR C parsed_1n0a 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -32.0 . 1 2 THR C 1 3 TRP N 1 3 TRP CA 1 3 TRP C parsed_1n0a 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . 1 3 TRP C 1 4 GLU N 1 4 GLU CA 1 4 GLU C parsed_1n0a 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -59.0 . 1 5 PRO C 1 6 ASP N 1 6 ASP CA 1 6 ASP C parsed_1n0a 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 119.0 . 1 6 ASP C 1 7 GLY N 1 7 GLY CA 1 7 GLY C parsed_1n0a 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -1.0 . 1 7 GLY C 1 8 LYS N 1 8 LYS CA 1 8 LYS C parsed_1n0a 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -51.0 . 1 8 LYS C 1 9 LEU N 1 9 LEU CA 1 9 LEU C parsed_1n0a 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 9 LEU C 1 10 THR N 1 10 THR CA 1 10 THR C parsed_1n0a 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 10 THR C 1 11 CYS N 1 11 CYS CA 1 11 CYS C parsed_1n0a 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 166.0 . 1 2 THR N 1 2 THR CA 1 2 THR C 1 3 TRP N parsed_1n0a 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 163.0 . 1 3 TRP N 1 3 TRP CA 1 3 TRP C 1 4 GLU N parsed_1n0a 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54.0 174.0 . 1 4 GLU N 1 4 GLU CA 1 4 GLU C 1 5 PRO N parsed_1n0a 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 34.0 . 1 6 ASP N 1 6 ASP CA 1 6 ASP C 1 7 GLY N parsed_1n0a 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 59.0 . 1 7 GLY N 1 7 GLY CA 1 7 GLY C 1 8 LYS N parsed_1n0a 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.0 188.0 . 1 9 LEU N 1 9 LEU CA 1 9 LEU C 1 10 THR N parsed_1n0a 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.0 175.0 . 1 10 THR N 1 10 THR CA 1 10 THR C 1 11 CYS N parsed_1n0a 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 1 CYS N 1 1 CYS CA 1 1 CYS CB 1 1 CYS SG parsed_1n0a 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 -150.0 . 1 2 THR N 1 2 THR CA 1 2 THR CB 1 2 THR OG1 parsed_1n0a 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 6 ASP N 1 6 ASP CA 1 6 ASP CB 1 6 ASP CG parsed_1n0a 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -30.0 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG parsed_1n0a 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 1 CYS CA 1 1 CYS C 1 2 THR N 1 2 THR CA parsed_1n0a 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 1 CYS O 1 1 CYS C 1 2 THR N 1 2 THR HN parsed_1n0a 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 2 THR CA 1 2 THR C 1 3 TRP N 1 3 TRP CA parsed_1n0a 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 2 THR O 1 2 THR C 1 3 TRP N 1 3 TRP HN parsed_1n0a 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 3 TRP CA 1 3 TRP C 1 4 GLU N 1 4 GLU CA parsed_1n0a 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 3 TRP O 1 3 TRP C 1 4 GLU N 1 4 GLU HN parsed_1n0a 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 4 GLU CA 1 4 GLU C 1 5 PRO N 1 5 PRO CA parsed_1n0a 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 5 PRO CA 1 5 PRO C 1 6 ASP N 1 6 ASP CA parsed_1n0a 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 5 PRO O 1 5 PRO C 1 6 ASP N 1 6 ASP HN parsed_1n0a 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 6 ASP CA 1 6 ASP C 1 7 GLY N 1 7 GLY CA parsed_1n0a 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 6 ASP O 1 6 ASP C 1 7 GLY N 1 7 GLY HN parsed_1n0a 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 7 GLY CA 1 7 GLY C 1 8 LYS N 1 8 LYS CA parsed_1n0a 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 7 GLY O 1 7 GLY C 1 8 LYS N 1 8 LYS HN parsed_1n0a 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 8 LYS CA 1 8 LYS C 1 9 LEU N 1 9 LEU CA parsed_1n0a 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 8 LYS O 1 8 LYS C 1 9 LEU N 1 9 LEU HN parsed_1n0a 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 9 LEU CA 1 9 LEU C 1 10 THR N 1 10 THR CA parsed_1n0a 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 9 LEU O 1 9 LEU C 1 10 THR N 1 10 THR HN parsed_1n0a 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 -170.0 . 1 10 THR O 1 10 THR C 1 11 CYS N 1 11 CYS HN parsed_1n0a 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 NMR_dihedral 1 1 1 13 parsed_1n0a 1
stop_
save_
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