NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
31850 |
1f5g   |
4614 | cing | 2-parsed | STAR | dihedral angle | 114 |
data_1f5g_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1f5g
_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_1f5g 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1f5g
_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 1f5g "Master copy" parsed_1f5g
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1f5g
_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 1f5g.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1f5g 1
1 1f5g.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1f5g 1
1 1f5g.mr . . DISCOVER 3 distance "hydrogen bond" simple 22 parsed_1f5g 1
1 1f5g.mr . . DISCOVER 4 distance NOE simple 184 parsed_1f5g 1
1 1f5g.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_1f5g 1
1 1f5g.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1f5g 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1f5g
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 1 G5' O3' 1 2 C P 1 2 C O5' 1 2 C C5' parsed_1f5g 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 C O3' 1 3 A P 1 3 A O5' 1 3 A C5' parsed_1f5g 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 3 A O3' 1 4 G P 1 4 G O5' 1 4 G C5' parsed_1f5g 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 G O3' 1 5 G P 1 5 G O5' 1 5 G C5' parsed_1f5g 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G O3' 1 6 C P 1 6 C O5' 1 6 C C5' parsed_1f5g 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 C O3' 1 7 G P 1 7 G O5' 1 7 G C5' parsed_1f5g 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 7 G O3' 1 8 U P 1 8 U O5' 1 8 U C5' parsed_1f5g 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 U O3' 1 9 G P 1 9 G O5' 1 9 G C5' parsed_1f5g 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G O3' 1 10 C3' P 1 10 C3' O5' 1 10 C3' C5' parsed_1f5g 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 1 G5' O3' B 2 C P B 2 C O5' B 2 C C5' parsed_1f5g 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 2 C O3' B 3 A P B 3 A O5' B 3 A C5' parsed_1f5g 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 3 A O3' B 4 G P B 4 G O5' B 4 G C5' parsed_1f5g 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 4 G O3' B 5 G P B 5 G O5' B 5 G C5' parsed_1f5g 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 5 G O3' B 6 C P B 6 C O5' B 6 C C5' parsed_1f5g 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 6 C O3' B 7 G P B 7 G O5' B 7 G C5' parsed_1f5g 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 7 G O3' B 8 U P B 8 U O5' B 8 U C5' parsed_1f5g 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 8 U O3' B 9 G P B 9 G O5' B 9 G C5' parsed_1f5g 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 9 G O3' B 10 C3' P B 10 C3' O5' B 10 C3' C5' parsed_1f5g 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 C P 1 2 C O5' 1 2 C C5' 1 2 C C4' parsed_1f5g 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A P 1 3 A O5' 1 3 A C5' 1 3 A C4' parsed_1f5g 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G P 1 5 G O5' 1 5 G C5' 1 5 G C4' parsed_1f5g 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 C P 1 6 C O5' 1 6 C C5' 1 6 C C4' parsed_1f5g 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 U P 1 8 U O5' 1 8 U C5' 1 8 U C4' parsed_1f5g 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G P 1 9 G O5' 1 9 G C5' 1 9 G C4' parsed_1f5g 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 C3' P 1 10 C3' O5' 1 10 C3' C5' 1 10 C3' C4' parsed_1f5g 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 2 C P B 2 C O5' B 2 C C5' B 2 C C4' parsed_1f5g 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 3 A P B 3 A O5' B 3 A C5' B 3 A C4' parsed_1f5g 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 5 G P B 5 G O5' B 5 G C5' B 5 G C4' parsed_1f5g 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 6 C P B 6 C O5' B 6 C C5' B 6 C C4' parsed_1f5g 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 8 U P B 8 U O5' B 8 U C5' B 8 U C4' parsed_1f5g 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 9 G P B 9 G O5' B 9 G C5' B 9 G C4' parsed_1f5g 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 10 C3' P B 10 C3' O5' B 10 C3' C5' B 10 C3' C4' parsed_1f5g 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 1 G5' O5' 1 1 G5' C5' 1 1 G5' C4' 1 1 G5' C3' parsed_1f5g 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 2 C O5' 1 2 C C5' 1 2 C C4' 1 2 C C3' parsed_1f5g 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 3 A O5' 1 3 A C5' 1 3 A C4' 1 3 A C3' parsed_1f5g 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 5 G O5' 1 5 G C5' 1 5 G C4' 1 5 G C3' parsed_1f5g 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 6 C O5' 1 6 C C5' 1 6 C C4' 1 6 C C3' parsed_1f5g 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 8 U O5' 1 8 U C5' 1 8 U C4' 1 8 U C3' parsed_1f5g 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 9 G O5' 1 9 G C5' 1 9 G C4' 1 9 G C3' parsed_1f5g 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 10 C3' O5' 1 10 C3' C5' 1 10 C3' C4' 1 10 C3' C3' parsed_1f5g 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 1 G5' O5' B 1 G5' C5' B 1 G5' C4' B 1 G5' C3' parsed_1f5g 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 2 C O5' B 2 C C5' B 2 C C4' B 2 C C3' parsed_1f5g 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 3 A O5' B 3 A C5' B 3 A C4' B 3 A C3' parsed_1f5g 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 5 G O5' B 5 G C5' B 5 G C4' B 5 G C3' parsed_1f5g 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 6 C O5' B 6 C C5' B 6 C C4' B 6 C C3' parsed_1f5g 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 8 U O5' B 8 U C5' B 8 U C4' B 8 U C3' parsed_1f5g 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 9 G O5' B 9 G C5' B 9 G C4' B 9 G C3' parsed_1f5g 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . B 10 C3' O5' B 10 C3' C5' B 10 C3' C4' B 10 C3' C3' parsed_1f5g 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 1 G5' C5' 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' parsed_1f5g 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 2 C C5' 1 2 C C4' 1 2 C C3' 1 2 C O3' parsed_1f5g 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 3 A C5' 1 3 A C4' 1 3 A C3' 1 3 A O3' parsed_1f5g 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 5 G C5' 1 5 G C4' 1 5 G C3' 1 5 G O3' parsed_1f5g 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 6 C C5' 1 6 C C4' 1 6 C C3' 1 6 C O3' parsed_1f5g 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 8 U C5' 1 8 U C4' 1 8 U C3' 1 8 U O3' parsed_1f5g 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 9 G C5' 1 9 G C4' 1 9 G C3' 1 9 G O3' parsed_1f5g 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . 1 10 C3' C5' 1 10 C3' C4' 1 10 C3' C3' 1 10 C3' O3' parsed_1f5g 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 1 G5' C5' B 1 G5' C4' B 1 G5' C3' B 1 G5' O3' parsed_1f5g 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 2 C C5' B 2 C C4' B 2 C C3' B 2 C O3' parsed_1f5g 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 3 A C5' B 3 A C4' B 3 A C3' B 3 A O3' parsed_1f5g 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 5 G C5' B 5 G C4' B 5 G C3' B 5 G O3' parsed_1f5g 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 6 C C5' B 6 C C4' B 6 C C3' B 6 C O3' parsed_1f5g 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 8 U C5' B 8 U C4' B 8 U C3' B 8 U O3' parsed_1f5g 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 9 G C5' B 9 G C4' B 9 G C3' B 9 G O3' parsed_1f5g 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.000 110.000 . B 10 C3' C5' B 10 C3' C4' B 10 C3' C3' B 10 C3' O3' parsed_1f5g 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 1 G5' C4' 1 1 G5' C3' 1 1 G5' O3' 1 2 C P parsed_1f5g 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 2 C C4' 1 2 C C3' 1 2 C O3' 1 3 A P parsed_1f5g 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 G P parsed_1f5g 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 C P parsed_1f5g 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 6 C C4' 1 6 C C3' 1 6 C O3' 1 7 G P parsed_1f5g 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 8 U C4' 1 8 U C3' 1 8 U O3' 1 9 G P parsed_1f5g 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . 1 9 G C4' 1 9 G C3' 1 9 G O3' 1 10 C3' P parsed_1f5g 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 1 G5' C4' B 1 G5' C3' B 1 G5' O3' B 2 C P parsed_1f5g 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 2 C C4' B 2 C C3' B 2 C O3' B 3 A P parsed_1f5g 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 3 A C4' B 3 A C3' B 3 A O3' B 4 G P parsed_1f5g 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 5 G C4' B 5 G C3' B 5 G O3' B 6 C P parsed_1f5g 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 6 C C4' B 6 C C3' B 6 C O3' B 7 G P parsed_1f5g 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 8 U C4' B 8 U C3' B 8 U O3' B 9 G P parsed_1f5g 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.000 -100.000 . B 9 G C4' B 9 G C3' B 9 G O3' B 10 C3' P parsed_1f5g 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 1 G5' C3' 1 1 G5' O3' 1 2 C P 1 2 C O5' parsed_1f5g 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 2 C C3' 1 2 C O3' 1 3 A P 1 3 A O5' parsed_1f5g 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 4 G C3' 1 4 G O3' 1 5 G P 1 5 G O5' parsed_1f5g 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 5 G C3' 1 5 G O3' 1 6 C P 1 6 C O5' parsed_1f5g 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 6 C C3' 1 6 C O3' 1 7 G P 1 7 G O5' parsed_1f5g 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 8 U C3' 1 8 U O3' 1 9 G P 1 9 G O5' parsed_1f5g 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . 1 9 G C3' 1 9 G O3' 1 10 C3' P 1 10 C3' O5' parsed_1f5g 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 1 G5' C3' B 1 G5' O3' B 2 C P B 2 C O5' parsed_1f5g 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 2 C C3' B 2 C O3' B 3 A P B 3 A O5' parsed_1f5g 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 3 A C3' B 3 A O3' B 4 G P B 4 G O5' parsed_1f5g 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 4 G C3' B 4 G O3' B 5 G P B 5 G O5' parsed_1f5g 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 5 G C3' B 5 G O3' B 6 C P B 6 C O5' parsed_1f5g 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 6 C C3' B 6 C O3' B 7 G P B 7 G O5' parsed_1f5g 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 7 G C3' B 7 G O3' B 8 U P B 8 U O5' parsed_1f5g 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 8 U C3' B 8 U O3' B 9 G P B 9 G O5' parsed_1f5g 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 150.000 . B 9 G C3' B 9 G O3' B 10 C3' P B 10 C3' O5' parsed_1f5g 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 1 G5' O4' 1 1 G5' C1' 1 1 G5' N9 1 1 G5' C4 parsed_1f5g 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 C O4' 1 2 C C1' 1 2 C N1 1 2 C C2 parsed_1f5g 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 3 A O4' 1 3 A C1' 1 3 A N9 1 3 A C4 parsed_1f5g 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 4 G O4' 1 4 G C1' 1 4 G N9 1 4 G C4 parsed_1f5g 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 5 G O4' 1 5 G C1' 1 5 G N9 1 5 G C4 parsed_1f5g 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 6 C O4' 1 6 C C1' 1 6 C N1 1 6 C C2 parsed_1f5g 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 50.000 . 1 7 G O4' 1 7 G C1' 1 7 G N9 1 7 G C4 parsed_1f5g 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 8 U O4' 1 8 U C1' 1 8 U N1 1 8 U C2 parsed_1f5g 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 9 G O4' 1 9 G C1' 1 9 G N9 1 9 G C4 parsed_1f5g 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 10 C3' O4' 1 10 C3' C1' 1 10 C3' N1 1 10 C3' C2 parsed_1f5g 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 1 G5' O4' B 1 G5' C1' B 1 G5' N9 B 1 G5' C4 parsed_1f5g 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 2 C O4' B 2 C C1' B 2 C N1 B 2 C C2 parsed_1f5g 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 3 A O4' B 3 A C1' B 3 A N9 B 3 A C4 parsed_1f5g 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 4 G O4' B 4 G C1' B 4 G N9 B 4 G C4 parsed_1f5g 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 5 G O4' B 5 G C1' B 5 G N9 B 5 G C4 parsed_1f5g 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 6 C O4' B 6 C C1' B 6 C N1 B 6 C C2 parsed_1f5g 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.000 50.000 . B 7 G O4' B 7 G C1' B 7 G N9 B 7 G C4 parsed_1f5g 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 8 U O4' B 8 U C1' B 8 U N1 B 8 U C2 parsed_1f5g 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 9 G O4' B 9 G C1' B 9 G N9 B 9 G C4 parsed_1f5g 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . B 10 C3' O4' B 10 C3' C1' B 10 C3' N1 B 10 C3' C2 parsed_1f5g 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
;
**********************************************
DIHEDRAL RESTRAINTS
**********************************************
(FROM CHEN)
NMR_dihedral
alpha P-O5'; first strand
;
1 1 7 29 parsed_1f5g 1
2 "alpha P-O5'; second strand" 17 1 17 31 parsed_1f5g 1
3 "beta O5'-C5'; first strand" 27 1 27 32 parsed_1f5g 1
4 "beta O5'-C5'; second strand" 35 1 35 33 parsed_1f5g 1
5 "gamma C5'-C4'; first strand" 43 1 43 32 parsed_1f5g 1
6 "gamma C5'-C4'; second strand" 52 1 52 33 parsed_1f5g 1
7 "delta C4'-C3'; first strand" 61 1 61 32 parsed_1f5g 1
8 "delta C4'-C3'; second strand" 70 1 70 33 parsed_1f5g 1
9 "epsilon C3'-O3'; first strand" 79 1 79 32 parsed_1f5g 1
10 "epsilon C3'-O3'; second strand" 87 1 87 33 parsed_1f5g 1
11 "zeta O3'-P; first strand" 95 1 95 30 parsed_1f5g 1
12 "zeta O3'-P; second strand" 103 1 103 32 parsed_1f5g 1
13 "chi Glycosidic torsions; strand 1" 113 1 113 41 parsed_1f5g 1
14 "chi Glycosidic torsions; strand 2" 124 1 124 42 parsed_1f5g 1
stop_
save_
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