NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
570888 |
2mer   |
18974 | cing | 2-parsed | STAR | dihedral angle | 127 |
data_2mer_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mer
_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_2mer 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mer
_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 2mer "Master copy" parsed_2mer
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mer
_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 2mer.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mer 1
1 2mer.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 127 parsed_2mer 1
1 2mer.mr . . XPLOR/CNS 3 distance "general distance" simple 0 parsed_2mer 1
1 2mer.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2mer 1
1 2mer.mr . . XPLOR/CNS 5 distance "general distance" simple 0 parsed_2mer 1
1 2mer.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2mer 1
1 2mer.mr . . XPLOR/CNS 7 planarity "Not applicable" "Not applicable" 0 parsed_2mer 1
1 2mer.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mer 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mer
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 1 . c5' . 1 . c4' . 1 . c3' . 1 . o3' parsed_2mer 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 2 . c5' . 2 . c4' . 2 . c3' . 2 . o3' parsed_2mer 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 3 . c5' . 3 . c4' . 3 . c3' . 3 . o3' parsed_2mer 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 4 . c5' . 4 . c4' . 4 . c3' . 4 . o3' parsed_2mer 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 5 . c5' . 5 . c4' . 5 . c3' . 5 . o3' parsed_2mer 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 6 . c5' . 6 . c4' . 6 . c3' . 6 . o3' parsed_2mer 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.00 104.00 . . 7 . c5' . 7 . c4' . 7 . c3' . 7 . o3' parsed_2mer 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.00 104.00 . . 8 . c5' . 8 . c4' . 8 . c3' . 8 . o3' parsed_2mer 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.00 104.00 . . 9 . c5' . 9 . c4' . 9 . c3' . 9 . o3' parsed_2mer 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.00 104.00 . . 13 . c5' . 13 . c4' . 13 . c3' . 13 . o3' parsed_2mer 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 14 . c5' . 14 . c4' . 14 . c3' . 14 . o3' parsed_2mer 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 15 . c5' . 15 . c4' . 15 . c3' . 15 . o3' parsed_2mer 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 16 . c5' . 16 . c4' . 16 . c3' . 16 . o3' parsed_2mer 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 17 . c5' . 17 . c4' . 17 . c3' . 17 . o3' parsed_2mer 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 18 . c5' . 18 . c4' . 18 . c3' . 18 . o3' parsed_2mer 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.00 94.00 . . 19 . c5' . 19 . c4' . 19 . c3' . 19 . o3' parsed_2mer 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 1 . c3' . 1 . o3' . 2 . p . 2 . o5' parsed_2mer 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 1 . o3' . 2 . p . 2 . o5' . 2 . c5' parsed_2mer 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 2 . c3' . 2 . o3' . 3 . p . 3 . o5' parsed_2mer 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 2 . o3' . 3 . p . 3 . o5' . 3 . c5' parsed_2mer 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 3 . c3' . 3 . o3' . 4 . p . 4 . o5' parsed_2mer 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 3 . o3' . 4 . p . 4 . o5' . 4 . c5' parsed_2mer 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 4 . c3' . 4 . o3' . 5 . p . 5 . o5' parsed_2mer 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 4 . o3' . 5 . p . 5 . o5' . 5 . c5' parsed_2mer 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 5 . c3' . 5 . o3' . 6 . p . 6 . o5' parsed_2mer 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 5 . o3' . 6 . p . 6 . o5' . 6 . c5' parsed_2mer 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 6 . c3' . 6 . o3' . 7 . p . 7 . o5' parsed_2mer 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 6 . o3' . 7 . p . 7 . o5' . 7 . c5' parsed_2mer 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 7 . c3' . 7 . o3' . 8 . p . 8 . o5' parsed_2mer 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 7 . o3' . 8 . p . 8 . o5' . 8 . c5' parsed_2mer 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 8 . c3' . 8 . o3' . 9 . p . 9 . o5' parsed_2mer 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 8 . o3' . 9 . p . 9 . o5' . 9 . c5' parsed_2mer 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 9 . c3' . 9 . o3' . 10 . p . 10 . o5' parsed_2mer 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 9 . o3' . 10 . p . 10 . o5' . 10 . c5' parsed_2mer 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 10 . c3' . 10 . o3' . 11 . p . 11 . o5' parsed_2mer 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 10 . o3' . 11 . p . 11 . o5' . 11 . c5' parsed_2mer 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 11 . c3' . 11 . o3' . 12 . p . 12 . o5' parsed_2mer 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 11 . o3' . 12 . p . 12 . o5' . 12 . c5' parsed_2mer 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 12 . c3' . 12 . o3' . 13 . p . 13 . o5' parsed_2mer 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 12 . o3' . 13 . p . 13 . o5' . 13 . c5' parsed_2mer 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 13 . c3' . 13 . o3' . 14 . p . 14 . o5' parsed_2mer 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 13 . o3' . 14 . p . 14 . o5' . 14 . c5' parsed_2mer 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 14 . c3' . 14 . o3' . 15 . p . 15 . o5' parsed_2mer 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 14 . o3' . 15 . p . 15 . o5' . 15 . c5' parsed_2mer 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 15 . c3' . 15 . o3' . 16 . p . 16 . o5' parsed_2mer 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 15 . o3' . 16 . p . 16 . o5' . 16 . c5' parsed_2mer 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 16 . c3' . 16 . o3' . 17 . p . 17 . o5' parsed_2mer 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 16 . o3' . 17 . p . 17 . o5' . 17 . c5' parsed_2mer 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 17 . c3' . 17 . o3' . 18 . p . 18 . o5' parsed_2mer 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 17 . o3' . 18 . p . 18 . o5' . 18 . c5' parsed_2mer 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -61.0 . . 18 . c3' . 18 . o3' . 19 . p . 19 . o5' parsed_2mer 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 18 . o3' . 19 . p . 19 . o5' . 19 . c5' parsed_2mer 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_2mer 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_2mer 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 4 . p . 4 . o5' . 4 . c5' . 4 . c4' parsed_2mer 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_2mer 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 6 . p . 6 . o5' . 6 . c5' . 6 . c4' parsed_2mer 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 7 . p . 7 . o5' . 7 . c5' . 7 . c4' parsed_2mer 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 8 . p . 8 . o5' . 8 . c5' . 8 . c4' parsed_2mer 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 9 . p . 9 . o5' . 9 . c5' . 9 . c4' parsed_2mer 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 10 . p . 10 . o5' . 10 . c5' . 10 . c4' parsed_2mer 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 11 . p . 11 . o5' . 11 . c5' . 11 . c4' parsed_2mer 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 12 . p . 12 . o5' . 12 . c5' . 12 . c4' parsed_2mer 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -90.0 . . 13 . p . 13 . o5' . 13 . c5' . 13 . c4' parsed_2mer 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 14 . p . 14 . o5' . 14 . c5' . 14 . c4' parsed_2mer 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 15 . p . 15 . o5' . 15 . c5' . 15 . c4' parsed_2mer 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 16 . p . 16 . o5' . 16 . c5' . 16 . c4' parsed_2mer 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 17 . p . 17 . o5' . 17 . c5' . 17 . c4' parsed_2mer 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 18 . p . 18 . o5' . 18 . c5' . 18 . c4' parsed_2mer 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 162.0 182.0 . . 19 . p . 19 . o5' . 19 . c5' . 19 . c4' parsed_2mer 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 1 . o5' . 1 . c5' . 1 . c4' . 1 . c3' parsed_2mer 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_2mer 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_2mer 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 4 . o5' . 4 . c5' . 4 . c4' . 4 . c3' parsed_2mer 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_2mer 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 6 . o5' . 6 . c5' . 6 . c4' . 6 . c3' parsed_2mer 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 7 . o5' . 7 . c5' . 7 . c4' . 7 . c3' parsed_2mer 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 8 . o5' . 8 . c5' . 8 . c4' . 8 . c3' parsed_2mer 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 9 . o5' . 9 . c5' . 9 . c4' . 9 . c3' parsed_2mer 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 10 . o5' . 10 . c5' . 10 . c4' . 10 . c3' parsed_2mer 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 11 . o5' . 11 . c5' . 11 . c4' . 11 . c3' parsed_2mer 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 12 . o5' . 12 . c5' . 12 . c4' . 12 . c3' parsed_2mer 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 240 . . 13 . o5' . 13 . c5' . 13 . c4' . 13 . c3' parsed_2mer 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 14 . o5' . 14 . c5' . 14 . c4' . 14 . c3' parsed_2mer 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 15 . o5' . 15 . c5' . 15 . c4' . 15 . c3' parsed_2mer 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 16 . o5' . 16 . c5' . 16 . c4' . 16 . c3' parsed_2mer 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 17 . o5' . 17 . c5' . 17 . c4' . 17 . c3' parsed_2mer 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 18 . o5' . 18 . c5' . 18 . c4' . 18 . c3' parsed_2mer 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . . 19 . o5' . 19 . c5' . 19 . c4' . 19 . c3' parsed_2mer 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_2mer 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_2mer 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_2mer 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_2mer 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 5 . c4' . 5 . c3' . 5 . o3' . 6 . p parsed_2mer 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 6 . c4' . 6 . c3' . 6 . o3' . 7 . p parsed_2mer 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 7 . c4' . 7 . c3' . 7 . o3' . 8 . p parsed_2mer 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 8 . c4' . 8 . c3' . 8 . o3' . 9 . p parsed_2mer 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 9 . c4' . 9 . c3' . 9 . o3' . 10 . p parsed_2mer 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 10 . c4' . 10 . c3' . 10 . o3' . 11 . p parsed_2mer 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 11 . c4' . 11 . c3' . 11 . o3' . 12 . p parsed_2mer 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 12 . c4' . 12 . c3' . 12 . o3' . 13 . p parsed_2mer 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 13 . c4' . 13 . c3' . 13 . o3' . 14 . p parsed_2mer 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 14 . c4' . 14 . c3' . 14 . o3' . 15 . p parsed_2mer 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 15 . c4' . 15 . c3' . 15 . o3' . 16 . p parsed_2mer 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 16 . c4' . 16 . c3' . 16 . o3' . 17 . p parsed_2mer 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 17 . c4' . 17 . c3' . 17 . o3' . 18 . p parsed_2mer 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -150.0 . . 18 . c4' . 18 . c3' . 18 . o3' . 19 . p parsed_2mer 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_2mer 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2mer 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 parsed_2mer 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_2mer 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2mer 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_2mer 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_2mer 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_2mer 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_2mer 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_2mer 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 225 . . 10 . H1' . 10 . C1' . 10 . C5 . 10 . C6 parsed_2mer 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2mer 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 12 . O4' . 12 . C1' . 12 . N1 . 12 . C2 parsed_2mer 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220 0 . . 13 . O4' . 13 . C1' . 13 . N9 . 13 . C4 parsed_2mer 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_2mer 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_2mer 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_2mer 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_2mer 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 18 . O4' . 18 . C1' . 18 . N1 . 18 . C2 parsed_2mer 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -150 . . 19 . O4' . 19 . C1' . 19 . N1 . 19 . C2 parsed_2mer 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
Delta (Assuming A form through out_from Sam's GAAA paper)
;
1 1 3 59 parsed_2mer 1
2
;
assign (resid 10 and name c5') (resid 10 and name c4')
(resid 10 and name c3') (resid 10 and name o3') 1.0 84.00 20.0 2
assign (resid 11 and name c5') (resid 11 and name c4')
(resid 11 and name c3') (resid 11 and name o3') 1.0 157.00 45.0 2
assign (resid 12 and name c5') (resid 12 and name c4')
(resid 12 and name c3') (resid 12 and name o3') 1.0 84.00 20.0 2
;
23 1 28 74 parsed_2mer 1
3
;
zeta and alpha Derived from P chemical shifts, where a downfield shifted P
implies a trans conformation, otherwise constrain to exclude a trans conformation (0+/-120)
;
45 1 46 93 parsed_2mer 1
4 *Zeta* 49 67 49 67 parsed_2mer 1
5 *alpha* 51 70 51 70 parsed_2mer 1
6 *Zeta* 54 67 54 67 parsed_2mer 1
7 *alpha* 56 69 56 69 parsed_2mer 1
8 *Zeta* 59 67 59 67 parsed_2mer 1
9 *alpha* 61 69 61 69 parsed_2mer 1
10 *Zeta* 64 67 64 67 parsed_2mer 1
11 *alpha* 66 69 66 69 parsed_2mer 1
12 *Zeta* 69 67 69 67 parsed_2mer 1
13 *alpha* 71 69 71 69 parsed_2mer 1
14 *Zeta* 74 64 74 64 parsed_2mer 1
15 *alpha* 76 66 76 66 parsed_2mer 1
16 *Zeta* 79 65 79 65 parsed_2mer 1
17 *alpha* 81 66 81 66 parsed_2mer 1
18 *Zeta* 84 64 84 64 parsed_2mer 1
19 *alpha* 86 66 86 66 parsed_2mer 1
20 *Zeta* 89 66 89 66 parsed_2mer 1
21 *alpha* 91 68 91 68 parsed_2mer 1
22 *Zeta* 94 66 94 66 parsed_2mer 1
23 *alpha* 96 68 96 68 parsed_2mer 1
24 *Zeta* 99 66 99 66 parsed_2mer 1
25 *alpha* 101 68 101 68 parsed_2mer 1
26 *Zeta* 104 66 104 66 parsed_2mer 1
27 *alpha* 106 68 106 68 parsed_2mer 1
28 *Zeta* 109 66 109 66 parsed_2mer 1
29 *alpha* 111 68 111 68 parsed_2mer 1
30 *Zeta* 114 69 114 69 parsed_2mer 1
31 *alpha* 116 71 116 71 parsed_2mer 1
32 *Zeta* 119 69 119 69 parsed_2mer 1
33 *alpha* 121 71 121 71 parsed_2mer 1
34 *Zeta* 124 69 124 69 parsed_2mer 1
35 *alpha* 126 71 126 71 parsed_2mer 1
36 *Zeta* 129 69 129 69 parsed_2mer 1
37 *alpha* 131 71 131 71 parsed_2mer 1
38 *Zeta* 134 69 134 69 parsed_2mer 1
39 *alpha* 136 71 136 71 parsed_2mer 1
40
;
beta constraint to trans (180+/-40)if P-H5'/H5'' from 31P Hetcor are absent ,
implies couplings <5Hz, if observed leave it unconstrained(Nucleic acids res, 2005, vol 33, No 22)
;
138 1 139 101 parsed_2mer 1
41 *beta* 142 69 142 69 parsed_2mer 1
42 *beta* 144 69 144 69 parsed_2mer 1
43 *beta* 146 69 146 69 parsed_2mer 1
44 *beta* 148 69 148 69 parsed_2mer 1
45 *beta* 150 69 150 69 parsed_2mer 1
46 *beta* 152 70 152 70 parsed_2mer 1
47 *beta* 154 70 154 70 parsed_2mer 1
48 *beta* 156 70 156 70 parsed_2mer 1
49 *beta* 158 72 158 72 parsed_2mer 1
50 *beta* 160 72 160 72 parsed_2mer 1
51 *beta* 162 72 162 72 parsed_2mer 1
52 *beta* 164 72 164 72 parsed_2mer 1
53 *beta* 166 71 166 71 parsed_2mer 1
54 *beta* 168 71 168 71 parsed_2mer 1
55 *beta* 170 71 170 71 parsed_2mer 1
56 *beta* 172 71 172 71 parsed_2mer 1
57 *beta* 174 71 174 71 parsed_2mer 1
58 *beta* 176 71 176 71 parsed_2mer 1
59
;
Gamma ,in DQF COSY if H4'-H5'/H5'' peaks were absent implies <5Hz,
restrain gamma to gauche+ (60+/-20), if H4'-H5'or H4'-H5'' present and equal intesity then,
couplings >5Hz constraint to include both the trans and gauche- (-120+/-120),
if weak, unobservable, and unequal H4'-H5'or H4'-H5'' NOE intensities,
implies conformational averaging, dont constrain
We used 120+/-120 for the unseen gammas to exclude gauche- which is very rare.
(Nucleic acids res, 2005, vol 33, No 22)
;
178 1 184 43 parsed_2mer 1
60 *gamma 187 68 187 68 parsed_2mer 1
61 *gamma 189 68 189 68 parsed_2mer 1
62 *gamma 191 68 191 68 parsed_2mer 1
63 *gamma 193 68 193 68 parsed_2mer 1
64 *gamma 195 68 195 68 parsed_2mer 1
65 *gamma 197 68 197 68 parsed_2mer 1
66 *gamma 199 68 199 68 parsed_2mer 1
67 *gamma 201 68 201 68 parsed_2mer 1
68 *gamma 203 68 203 68 parsed_2mer 1
69 *gamma 205 70 205 70 parsed_2mer 1
70 *gamma 207 70 207 70 parsed_2mer 1
71 *gamma 209 70 209 70 parsed_2mer 1
72 *gamma 211 70 211 70 parsed_2mer 1
73 *gamma 213 70 213 70 parsed_2mer 1
74 *gamma 215 70 215 70 parsed_2mer 1
75 *gamma 217 70 217 70 parsed_2mer 1
76 *gamma 219 70 219 70 parsed_2mer 1
77 *gamma 221 70 221 70 parsed_2mer 1
78 *gamma 223 70 223 70 parsed_2mer 1
79
;
Epsilon, these values include both trans and gauche minus since P-H3' were >5Hz
in 31P Hetcor (Nucleic acids res, 2005, vol 33, No 22),
you can constrain to (-120+/-120 to exclude gauche+)
;
225 1 227 55 parsed_2mer 1
80 *epsilon 230 68 230 68 parsed_2mer 1
81 *epsilon 232 68 232 68 parsed_2mer 1
82 *epsilon 234 68 234 68 parsed_2mer 1
83 *epsilon 236 68 236 68 parsed_2mer 1
84 *epsilon 238 68 238 68 parsed_2mer 1
85 *epsilon 240 69 240 69 parsed_2mer 1
86 *epsilon 242 69 242 69 parsed_2mer 1
87 *epsilon 244 69 244 69 parsed_2mer 1
88 *epsilon 246 70 246 70 parsed_2mer 1
89 *epsilon 248 71 248 71 parsed_2mer 1
90 *epsilon 250 71 250 71 parsed_2mer 1
91 *epsilon 252 71 252 71 parsed_2mer 1
92 *epsilon 254 71 254 71 parsed_2mer 1
93 *epsilon 256 70 256 70 parsed_2mer 1
94 *epsilon 258 70 258 70 parsed_2mer 1
95 *epsilon 260 70 260 70 parsed_2mer 1
96 *epsilon 262 70 262 70 parsed_2mer 1
97 *epsilon 264 70 264 70 parsed_2mer 1
98
;
From H1'-H8/H6 peak volume in NOESY ,All uniform imply anti conformation,
(j.mol.biol (2005)351,371-382)
G1 chi
;
266 1 269 8 parsed_2mer 1
99 "G2 chi" 272 1 272 8 parsed_2mer 1
100 "C3 chi" 275 1 275 9 parsed_2mer 1
101 "C4 chi" 278 1 278 9 parsed_2mer 1
102 "G5 chi" 281 1 281 8 parsed_2mer 1
103 "P6 chi" 284 1 284 9 parsed_2mer 1
104
;
assign (resid 6 and name H1') (resid 6 and name C1')
(resid 6 and name N1 ) (resid 6 and name C6 ) 1 180 60 2
A7 chi
;
287 1 290 9 parsed_2mer 1
105 "A8 chi" 293 1 293 9 parsed_2mer 1
106 "C9 chi" 296 1 296 9 parsed_2mer 1
107 "P10 chi" 299 1 299 10 parsed_2mer 1
108 "A11 chi" 305 1 305 10 parsed_2mer 1
109 "P12 chi" 308 1 308 10 parsed_2mer 1
110 "A13 chi" 311 1 311 10 parsed_2mer 1
111 "A14 chi" 314 1 314 10 parsed_2mer 1
112 "C15 chi" 317 1 317 10 parsed_2mer 1
113 "G16 chi" 320 1 320 9 parsed_2mer 1
114 "G17 chi" 323 1 323 9 parsed_2mer 1
115 "U18 chi" 326 1 326 10 parsed_2mer 1
116 "C19 chi" 329 1 329 10 parsed_2mer 1
117 "H69PPP NOE Assignments at 37C (Jun Jiang)" 332 1 332 43 parsed_2mer 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 1, 2024 1:17:52 PM GMT (wattos1)