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 |
|
|
31025 |
1drr   |
cing | 2-parsed | STAR | dihedral angle | 48 |
data_1drr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1drr
_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_1drr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1drr
_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 1drr "Master copy" parsed_1drr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1drr
_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 1drr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 2 distance "general distance" simple 183 parsed_1drr 1
1 1drr.mr . . DISCOVER 3 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_1drr 1
1 1drr.mr . . DISCOVER 4 distance NOE simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 6 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 8 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 10 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 12 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 14 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 16 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 17 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 18 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 19 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 20 distance "general distance" simple 0 parsed_1drr 1
1 1drr.mr . . DISCOVER 21 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . n/a 22 comment "Not applicable" "Not applicable" 0 parsed_1drr 1
1 1drr.mr . . "MR format" 23 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1drr 1
stop_
save_
save_Discover_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1drr
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.600 137.500 . 1 1 G C5' 1 1 G C4' 1 1 G C3' 1 1 G O3' parsed_1drr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.000 150.000 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' parsed_1drr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.900 122.900 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1drr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.000 90.000 . 1 4 G C5' 1 4 G C4' 1 4 G C3' 1 4 G O3' parsed_1drr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.900 140.600 . 1 5 A C5' 1 5 A C4' 1 5 A C3' 1 5 A O3' parsed_1drr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.500 137.500 . 1 6 G C5' 1 6 G C4' 1 6 G C3' 1 6 G O3' parsed_1drr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.000 90.000 . 1 7 A C5' 1 7 A C4' 1 7 A C3' 1 7 A O3' parsed_1drr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.000 90.000 . 1 8 A C5' 1 8 A C4' 1 8 A C3' 1 8 A O3' parsed_1drr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.000 90.000 . 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' parsed_1drr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.220 138.150 . 1 10 C C5' 1 10 C C4' 1 10 C C3' 1 10 C O3' parsed_1drr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.000 90.000 . B 1 G C5' B 1 G C4' B 1 G C3' B 1 G O3' parsed_1drr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1drr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 3 U C5' B 3 U C4' B 3 U C3' B 3 U O3' parsed_1drr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 4 U C5' B 4 U C4' B 4 U C3' B 4 U O3' parsed_1drr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 5 C C5' B 5 C C4' B 5 C C3' B 5 C O3' parsed_1drr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 6 U C5' B 6 U C4' B 6 U C3' B 6 U O3' parsed_1drr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 7 C C5' B 7 C C4' B 7 C C3' B 7 C O3' parsed_1drr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 8 U C5' B 8 U C4' B 8 U C3' B 8 U O3' parsed_1drr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 9 U C5' B 9 U C4' B 9 U C3' B 9 U O3' parsed_1drr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.000 90.000 . B 10 C C5' B 10 C C4' B 10 C C3' B 10 C O3' parsed_1drr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.000 -23.000 . 1 4 G O4' 1 4 G C1' 1 4 G C2' 1 4 G C3' parsed_1drr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.000 -23.000 . 1 7 A O4' 1 7 A C1' 1 7 A C2' 1 7 A C3' parsed_1drr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.000 -23.000 . 1 8 A O4' 1 8 A C1' 1 8 A C2' 1 8 A C3' parsed_1drr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.000 -23.000 . 1 9 G O4' 1 9 G C1' 1 9 G C2' 1 9 G C3' parsed_1drr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.000 41.000 . 1 4 G C1' 1 4 G C2' 1 4 G C3' 1 4 G C4' parsed_1drr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.000 41.000 . 1 7 A C1' 1 7 A C2' 1 7 A C3' 1 7 A C4' parsed_1drr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.000 41.000 . 1 8 A C1' 1 8 A C2' 1 8 A C3' 1 8 A C4' parsed_1drr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.000 41.000 . 1 9 G C1' 1 9 G C2' 1 9 G C3' 1 9 G C4' parsed_1drr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -120.000 . 1 1 G O4' 1 1 G C1' 1 1 G N9 1 1 G C4 parsed_1drr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -120.000 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 parsed_1drr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -120.000 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 parsed_1drr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . 1 4 G O4' 1 4 G C1' 1 4 G N9 1 4 G C4 parsed_1drr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -120.000 . 1 5 A O4' 1 5 A C1' 1 5 A N9 1 5 A C4 parsed_1drr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.000 -120.000 . 1 6 G O4' 1 6 G C1' 1 6 G N9 1 6 G C4 parsed_1drr 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . 1 7 A O4' 1 7 A C1' 1 7 A N9 1 7 A C4 parsed_1drr 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . 1 8 A O4' 1 8 A C1' 1 8 A N9 1 8 A C4 parsed_1drr 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 parsed_1drr 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.000 -120.000 . 1 10 C O4' 1 10 C C1' 1 10 C N1 1 10 C C2 parsed_1drr 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 1 G O4' B 1 G C1' B 1 G N9 B 1 G C4 parsed_1drr 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 parsed_1drr 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 3 U O4' B 3 U C1' B 3 U N1 B 3 U C2 parsed_1drr 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 4 U O4' B 4 U C1' B 4 U N1 B 4 U C2 parsed_1drr 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 5 C O4' B 5 C C1' B 5 C N1 B 5 C C2 parsed_1drr 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 6 U O4' B 6 U C1' B 6 U N1 B 6 U C2 parsed_1drr 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 7 C O4' B 7 C C1' B 7 C N1 B 7 C C2 parsed_1drr 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 8 U O4' B 8 U C1' B 8 U N1 B 8 U C2 parsed_1drr 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 9 U O4' B 9 U C1' B 9 U N1 B 9 U C2 parsed_1drr 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -150.000 . B 10 C O4' B 10 C C1' B 10 C N1 B 10 C C2 parsed_1drr 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
delta
;
1 1 2 6 parsed_1drr 1
2 V1 23 1 27 3 parsed_1drr 1
3 V2 32 1 33 3 parsed_1drr 1
4 CHI 38 1 39 4 parsed_1drr 1
stop_
save_
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