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 |
|
|
29376 |
1at4   |
cing | 2-parsed | STAR | dihedral angle | 48 |
data_1at4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1at4
_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_1at4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1at4
_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 1at4 "Master copy" parsed_1at4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1at4
_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 1at4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1at4 1
1 1at4.mr . . DISCOVER 2 distance "hydrogen bond" simple 27 parsed_1at4 1
1 1at4.mr . . DISCOVER 3 distance NOE simple 252 parsed_1at4 1
1 1at4.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_1at4 1
1 1at4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1at4 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1at4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 150 . 1 1 G C5' 1 1 G C4' 1 1 G C3' 1 1 G O3' parsed_1at4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 150 . 1 2 A C5' 1 2 A C4' 1 2 A C3' 1 2 A O3' parsed_1at4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 150 . 1 3 G C5' 1 3 G C4' 1 3 G C3' 1 3 G O3' parsed_1at4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125 155 . 1 4 A C5' 1 4 A C4' 1 4 A C3' 1 4 A O3' parsed_1at4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125 150 . 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' parsed_1at4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 155 . 1 6 A C5' 1 6 A C4' 1 6 A C3' 1 6 A O3' parsed_1at4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 155 . B 1 T C5' B 1 T C4' B 1 T C3' B 1 T O3' parsed_1at4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 160 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1at4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 150 . B 3 T C5' B 3 T C4' B 3 T C3' B 3 T O3' parsed_1at4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 140 . B 4 C C5' B 4 C C4' B 4 C C3' B 4 C O3' parsed_1at4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 150 . B 5 T C5' B 5 T C4' B 5 T C3' B 5 T O3' parsed_1at4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 150 . B 6 C C5' B 6 C C4' B 6 C C3' B 6 C O3' parsed_1at4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 160 . C 1 C C5' C 1 C C4' C 1 C C3' C 1 C O3' parsed_1at4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 150 . C 2 T C5' C 2 T C4' C 2 T C3' C 2 T O3' parsed_1at4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 140 . C 3 CH C5' C 3 CH C4' C 3 CH C3' C 3 CH O3' parsed_1at4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 155 . C 4 T C5' C 4 T C4' C 4 T C3' C 4 T O3' parsed_1at4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 140 . C 5 C C5' C 5 C C4' C 5 C C3' C 5 C O3' parsed_1at4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 150 . C 6 T C5' C 6 T C4' C 6 T C3' C 6 T O3' parsed_1at4 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -100 . 1 1 G O4' 1 1 G C1' 1 1 G N9 1 1 G C4 parsed_1at4 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -115 . 1 2 A O4' 1 2 A C1' 1 2 A N9 1 2 A C4 parsed_1at4 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -100 . 1 3 G O4' 1 3 G C1' 1 3 G N9 1 3 G C4 parsed_1at4 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -123 . 1 4 A O4' 1 4 A C1' 1 4 A N9 1 4 A C4 parsed_1at4 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -99 . 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 parsed_1at4 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -100 . 1 6 A O4' 1 6 A C1' 1 6 A N9 1 6 A C4 parsed_1at4 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -100 . B 1 T O4' B 1 T C1' B 1 T N1 B 1 T C2 parsed_1at4 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -105 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 parsed_1at4 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -100 . B 3 T O4' B 3 T C1' B 3 T N1 B 3 T C2 parsed_1at4 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -110 . B 4 C O4' B 4 C C1' B 4 C N1 B 4 C C2 parsed_1at4 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -99 . B 5 T O4' B 5 T C1' B 5 T N1 B 5 T C2 parsed_1at4 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -99 . B 6 C O4' B 6 C C1' B 6 C N1 B 6 C C2 parsed_1at4 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -100 . C 1 C O4' C 1 C C1' C 1 C N1 C 1 C C2 parsed_1at4 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -95 . C 2 T O4' C 2 T C1' C 2 T N1 C 2 T C2 parsed_1at4 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -110 . C 3 CH O4' C 3 CH C1' C 3 CH N1 C 3 CH C2 parsed_1at4 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125 -100 . C 4 T O4' C 4 T C1' C 4 T N1 C 4 T C2 parsed_1at4 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135 -110 . C 5 C O4' C 5 C C1' C 5 C N1 C 5 C C2 parsed_1at4 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130 -110 . C 6 T O4' C 6 T C1' C 6 T N1 C 6 T C2 parsed_1at4 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . 1 1 G O5' 1 1 G C5' 1 1 G C4' 1 1 G C3' parsed_1at4 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . 1 2 A O5' 1 2 A C5' 1 2 A C4' 1 2 A C3' parsed_1at4 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . 1 3 G O5' 1 3 G C5' 1 3 G C4' 1 3 G C3' parsed_1at4 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . 1 4 A O5' 1 4 A C5' 1 4 A C4' 1 4 A C3' parsed_1at4 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1at4 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' parsed_1at4 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . B 3 T O5' B 3 T C5' B 3 T C4' B 3 T C3' parsed_1at4 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . B 4 C O5' B 4 C C5' B 4 C C4' B 4 C C3' parsed_1at4 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . B 6 C O5' B 6 C C5' B 6 C C4' B 6 C C3' parsed_1at4 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . C 1 C O5' C 1 C C5' C 1 C C4' C 1 C C3' parsed_1at4 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . C 2 T O5' C 2 T C5' C 2 T C4' C 2 T C3' parsed_1at4 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 100 . C 5 C O5' C 5 C C5' C 5 C C4' C 5 C C3' parsed_1at4 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 3 64 parsed_1at4 1
2 CHI 24 1 25 64 parsed_1at4 1
3 Gamma 46 1 47 7 parsed_1at4 1
stop_
save_
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