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 |
|
|
29456 |
1aw6   |
cing | 2-parsed | STAR | dihedral angle | 45 |
data_1aw6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aw6
_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_1aw6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aw6
_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 1aw6 "Master copy" parsed_1aw6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aw6
_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 1aw6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aw6 1
1 1aw6.mr . . DISCOVER 2 distance "general distance" simple 761 parsed_1aw6 1
1 1aw6.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1aw6 1
1 1aw6.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 45 parsed_1aw6 1
1 1aw6.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aw6 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1aw6
_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 9 GLN HN 1 9 GLN N 1 9 GLN CA 1 9 GLN HA parsed_1aw6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 11 CYSH HN 1 11 CYSH N 1 11 CYSH CA 1 11 CYSH HA parsed_1aw6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 12 ASP- HN 1 12 ASP- N 1 12 ASP- CA 1 12 ASP- HA parsed_1aw6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 13 ILE HN 1 13 ILE N 1 13 ILE CA 1 13 ILE HA parsed_1aw6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 14 CYSH HN 1 14 CYSH N 1 14 CYSH CA 1 14 CYSH HA parsed_1aw6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 15 ARG+ HN 1 15 ARG+ N 1 15 ARG+ CA 1 15 ARG+ HA parsed_1aw6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 16 LEU HN 1 16 LEU N 1 16 LEU CA 1 16 LEU HA parsed_1aw6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 17 LYS+ HN 1 17 LYS+ N 1 17 LYS+ CA 1 17 LYS+ HA parsed_1aw6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . 1 18 LYS+ HN 1 18 LYS+ N 1 18 LYS+ CA 1 18 LYS+ HA parsed_1aw6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 19 LEU HN 1 19 LEU N 1 19 LEU CA 1 19 LEU HA parsed_1aw6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . 1 20 LYS+ HN 1 20 LYS+ N 1 20 LYS+ CA 1 20 LYS+ HA parsed_1aw6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 22 SER HN 1 22 SER N 1 22 SER CA 1 22 SER HA parsed_1aw6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . 1 23 LYS+ HN 1 23 LYS+ N 1 23 LYS+ CA 1 23 LYS+ HA parsed_1aw6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 25 LYS+ HN 1 25 LYS+ N 1 25 LYS+ CA 1 25 LYS+ HA parsed_1aw6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 27 LYS+ HN 1 27 LYS+ N 1 27 LYS+ CA 1 27 LYS+ HA parsed_1aw6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . 1 28 CYSH HN 1 28 CYSH N 1 28 CYSH CA 1 28 CYSH HA parsed_1aw6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 29 ALA HN 1 29 ALA N 1 29 ALA CA 1 29 ALA HA parsed_1aw6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 30 LYS+ HN 1 30 LYS+ N 1 30 LYS+ CA 1 30 LYS+ HA parsed_1aw6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 31 CYSH HN 1 31 CYSH N 1 31 CYSH CA 1 31 CYSH HA parsed_1aw6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 32 LEU HN 1 32 LEU N 1 32 LEU CA 1 32 LEU HA parsed_1aw6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . 1 33 LYS+ HN 1 33 LYS+ N 1 33 LYS+ CA 1 33 LYS+ HA parsed_1aw6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 34 ASN HN 1 34 ASN N 1 34 ASN CA 1 34 ASN HA parsed_1aw6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . 1 35 ASN HN 1 35 ASN N 1 35 ASN CA 1 35 ASN HA parsed_1aw6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 36 TRP HN 1 36 TRP N 1 36 TRP CA 1 36 TRP HA parsed_1aw6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 39 ARG+ HN 1 39 ARG+ N 1 39 ARG+ CA 1 39 ARG+ HA parsed_1aw6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 -160.0 . 1 40 TYR HN 1 40 TYR N 1 40 TYR CA 1 40 TYR HA parsed_1aw6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 11 CYSH N 1 11 CYSH CA 1 11 CYSH CB 1 11 CYSH SG parsed_1aw6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 14 CYSH N 1 14 CYSH CA 1 14 CYSH CB 1 14 CYSH SG parsed_1aw6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 18 LYS+ N 1 18 LYS+ CA 1 18 LYS+ CB 1 18 LYS+ CG parsed_1aw6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 30.0 . 1 19 LEU N 1 19 LEU CA 1 19 LEU CB 1 19 LEU CG parsed_1aw6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 30.0 . 1 20 LYS+ N 1 20 LYS+ CA 1 20 LYS+ CB 1 20 LYS+ CG parsed_1aw6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 30.0 . 1 21 CYSH N 1 21 CYSH CA 1 21 CYSH CB 1 21 CYSH SG parsed_1aw6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 22 SER N 1 22 SER CA 1 22 SER CB 1 22 SER OG parsed_1aw6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 30.0 . 1 23 LYS+ N 1 23 LYS+ CA 1 23 LYS+ CB 1 23 LYS+ CG parsed_1aw6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 24 GLU- N 1 24 GLU- CA 1 24 GLU- CB 1 24 GLU- CG parsed_1aw6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 25 LYS+ N 1 25 LYS+ CA 1 25 LYS+ CB 1 25 LYS+ CG parsed_1aw6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 26 PRO N 1 26 PRO CA 1 26 PRO CB 1 26 PRO CG parsed_1aw6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . 1 28 CYSH N 1 28 CYSH CA 1 28 CYSH CB 1 28 CYSH SG parsed_1aw6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 31 CYSH N 1 31 CYSH CA 1 31 CYSH CB 1 31 CYSH SG parsed_1aw6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 32 LEU N 1 32 LEU CA 1 32 LEU CB 1 32 LEU CG parsed_1aw6 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 33 LYS+ N 1 33 LYS+ CA 1 33 LYS+ CB 1 33 LYS+ CG parsed_1aw6 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 34 ASN N 1 34 ASN CA 1 34 ASN CB 1 34 ASN CG parsed_1aw6 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . 1 36 TRP N 1 36 TRP CA 1 36 TRP CB 1 36 TRP CG parsed_1aw6 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 37 GLU- N 1 37 GLU- CA 1 37 GLU- CB 1 37 GLU- CG parsed_1aw6 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 -150.0 . 1 38 CYSH N 1 38 CYSH CA 1 38 CYSH CB 1 38 CYSH SG parsed_1aw6 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 3J_dihedral 1 1 1 12 parsed_1aw6 1
stop_
save_
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