NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
519523 |
2ldt   |
17682 | cing | 2-parsed | STAR | dihedral angle | 79 |
data_2ldt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ldt
_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_2ldt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ldt
_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 2ldt "Master copy" parsed_2ldt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ldt
_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 2ldt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 4 protocol "structure calculation" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 147 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 79 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2ldt 1
1 2ldt.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ldt 1
stop_
save_
save_CNS/XPLOR_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ldt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_2ldt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2ldt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 3 . O4' . 3 . C1' . 3 . N1 . 3 . C2 parsed_2ldt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_2ldt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2ldt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 6 . O4' . 6 . C1' . 6 . N1 . 6 . C2 parsed_2ldt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_2ldt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 8 . O4' . 8 . C1' . 8 . N1 . 8 . C2 parsed_2ldt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_2ldt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2ldt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2ldt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 12 . O4' . 12 . C1' . 12 . N1 . 12 . C2 parsed_2ldt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 13 . O4' . 13 . C1' . 13 . N1 . 13 . C2 parsed_2ldt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_2ldt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_2ldt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_2ldt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_2ldt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 18 . O4' . 18 . C1' . 18 . N9 . 18 . C4 parsed_2ldt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_2ldt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 20 . O4' . 20 . C1' . 20 . N1 . 20 . C2 parsed_2ldt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 21 . O4' . 21 . C1' . 21 . N1 . 21 . C2 parsed_2ldt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 22 . O4' . 22 . C1' . 22 . N1 . 22 . C2 parsed_2ldt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 23 . O4' . 23 . C1' . 23 . N1 . 23 . C2 parsed_2ldt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 24 . O4' . 24 . C1' . 24 . N1 . 24 . C2 parsed_2ldt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 25 . O4' . 25 . C1' . 25 . N9 . 25 . C4 parsed_2ldt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 26 . O4' . 26 . C1' . 26 . N9 . 26 . C4 parsed_2ldt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 28 . O4' . 28 . C1' . 28 . N9 . 28 . C4 parsed_2ldt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 29 . O4' . 29 . C1' . 29 . N9 . 29 . C4 parsed_2ldt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 30 . O4' . 30 . C1' . 30 . N1 . 30 . C2 parsed_2ldt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 31 . O4' . 31 . C1' . 31 . N9 . 31 . C4 parsed_2ldt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 32 . O4' . 32 . C1' . 32 . N1 . 32 . C2 parsed_2ldt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 33 . O4' . 33 . C1' . 33 . N1 . 33 . C2 parsed_2ldt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 27 . O4' . 27 . C1' . 27 . N1 . 27 . C2 parsed_2ldt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 1 . c4' . 1 . c3' . 1 . o3' . 2 . p parsed_2ldt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 1 . c3' . 1 . o3' . 2 . p . 2 . o5' parsed_2ldt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 1 . o3' . 2 . p . 2 . o5' . 2 . c5' parsed_2ldt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 2 . p . 2 . o5' . 2 . c5' . 2 . c4' parsed_2ldt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 2 . c4' . 2 . c3' . 2 . o3' . 3 . p parsed_2ldt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 2 . c3' . 2 . o3' . 3 . p . 3 . o5' parsed_2ldt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 2 . o3' . 3 . p . 3 . o5' . 3 . c5' parsed_2ldt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 3 . p . 3 . o5' . 3 . c5' . 3 . c4' parsed_2ldt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 3 . c4' . 3 . c3' . 3 . o3' . 4 . p parsed_2ldt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 3 . c3' . 3 . o3' . 4 . p . 4 . o5' parsed_2ldt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 3 . o3' . 4 . p . 4 . o5' . 4 . c5' parsed_2ldt 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 4 . p . 4 . o5' . 4 . c5' . 4 . c4' parsed_2ldt 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 4 . c4' . 4 . c3' . 4 . o3' . 5 . p parsed_2ldt 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 4 . c3' . 4 . o3' . 5 . p . 5 . o5' parsed_2ldt 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 4 . o3' . 5 . p . 5 . o5' . 5 . c5' parsed_2ldt 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 5 . p . 5 . o5' . 5 . c5' . 5 . c4' parsed_2ldt 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 5 . c4' . 5 . c3' . 5 . o3' . 6 . p parsed_2ldt 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 5 . c3' . 5 . o3' . 6 . p . 6 . o5' parsed_2ldt 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 28 . o3' . 29 . p . 29 . o5' . 29 . c5' parsed_2ldt 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 29 . p . 29 . o5' . 29 . c5' . 29 . c4' parsed_2ldt 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 29 . c4' . 29 . c3' . 29 . o3' . 30 . p parsed_2ldt 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 29 . c3' . 29 . o3' . 30 . p . 30 . o5' parsed_2ldt 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 29 . o3' . 30 . p . 30 . o5' . 30 . c5' parsed_2ldt 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 30 . p . 30 . o5' . 30 . c5' . 30 . c4' parsed_2ldt 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 30 . c4' . 30 . c3' . 30 . o3' . 31 . p parsed_2ldt 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 30 . c3' . 30 . o3' . 31 . p . 31 . o5' parsed_2ldt 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 30 . o3' . 31 . p . 31 . o5' . 31 . c5' parsed_2ldt 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 31 . p . 31 . o5' . 31 . c5' . 31 . c4' parsed_2ldt 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 31 . c4' . 31 . c3' . 31 . o3' . 32 . p parsed_2ldt 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 31 . c3' . 31 . o3' . 32 . p . 32 . o5' parsed_2ldt 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 31 . o3' . 32 . p . 32 . o5' . 32 . c5' parsed_2ldt 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 32 . p . 32 . o5' . 32 . c5' . 32 . c4' parsed_2ldt 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 32 . c4' . 32 . c3' . 32 . o3' . 33 . p parsed_2ldt 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 32 . c3' . 32 . o3' . 33 . p . 33 . o5' parsed_2ldt 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 32 . o3' . 33 . p . 33 . o5' . 33 . c5' parsed_2ldt 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 33 . p . 33 . o5' . 33 . c5' . 33 . c4' parsed_2ldt 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 1 . o5' . 1 . c5' . 1 . c4' . 1 . c3' parsed_2ldt 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 2 . o5' . 2 . c5' . 2 . c4' . 2 . c3' parsed_2ldt 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . o5' . 3 . c5' . 3 . c4' . 3 . c3' parsed_2ldt 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 . o5' . 4 . c5' . 4 . c4' . 4 . c3' parsed_2ldt 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 5 . o5' . 5 . c5' . 5 . c4' . 5 . c3' parsed_2ldt 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 33 . o5' . 33 . c5' . 33 . c4' . 33 . c3' parsed_2ldt 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 32 . o5' . 32 . c5' . 32 . c4' . 32 . c3' parsed_2ldt 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 31 . o5' . 31 . c5' . 31 . c4' . 31 . c3' parsed_2ldt 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 30 . o5' . 30 . c5' . 30 . c4' . 30 . c3' parsed_2ldt 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 29 . o5' . 29 . c5' . 29 . c4' . 29 . c3' parsed_2ldt 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
;
Torsion angle restraints for the xhi torsion angle in the
GZ33 - Theophylline RNA complex.
Xhi is defined as follows...
Purines = O4'-C1'-N9-C4
Pyrimidines = O4'-C1'-N1-C2
Anti:
Xhi = 180.0 +/- 90.0
including high-anti and excluding high-syn:
Xhi = -150.0 +/- 90.0
Syn:
Xhi = 0.0 +/- 90.0
See Saenger page 22.
There are no syn bases in the GZ33-Theophylline complex.
No large H1'-Haro nOes were observed, and large H3'-Haro
(or H2'-Haro) were observed for all nucleotides.
;
1 1 20 2 parsed_2ldt 1
2 "Cyt 27 left unrestrained ( likely averaged )." 99 1 99 49 parsed_2ldt 1
3
;
DNA
dihedral restraints on epsilon, zeta, alpha, beta
!1
;
129 1 132 4 parsed_2ldt 1
4 !2 138 1 138 4 parsed_2ldt 1
5 !3 148 1 148 4 parsed_2ldt 1
6 !4 158 1 158 4 parsed_2ldt 1
7 !5 168 1 168 4 parsed_2ldt 1
8 !29 180 1 180 5 parsed_2ldt 1
9 !30 191 1 191 5 parsed_2ldt 1
10 !31 201 1 201 5 parsed_2ldt 1
11 !32 211 1 211 5 parsed_2ldt 1
12 !33 221 1 221 5 parsed_2ldt 1
13 gamma 230 1 230 7 parsed_2ldt 1
14
;
Meredith's 888 dip_30_888.tbl
modified from dip2rand.nawk Table; Output File: dip_70.tbl
FractRand: 0.70; NO-Overlap
SEED: 54001124
Mean ABS(Measure): 13.4789 Mean SumSquare: 225.0152 Count: 71
Date: Mon Jun 24 11:00:54 EDT 2002
Path: /net/octave1/clore/RNA_THEO/PAIRS/TEST
;
253 1 260 2 parsed_2ldt 1
stop_
save_
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