NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
476729 |
2krz   |
16655 | cing | 2-parsed | STAR | dihedral angle | 99 |
data_2krz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2krz
_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_2krz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2krz
_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 2krz "Master copy" parsed_2krz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2krz
_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 2krz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2krz 1
1 2krz.mr . . XPLOR/CNS 2 distance NOE simple 314 parsed_2krz 1
1 2krz.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 24 parsed_2krz 1
1 2krz.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 99 parsed_2krz 1
1 2krz.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2krz 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2krz
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 1 . O3' A 2 . P A 2 . O5' A 2 . C5' parsed_2krz 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 2 . O3' A 3 . P A 3 . O5' A 3 . C5' parsed_2krz 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 3 . O3' A 4 . P A 4 . O5' A 4 . C5' parsed_2krz 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 4 . O3' A 5 . P A 5 . O5' A 5 . C5' parsed_2krz 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 5 . O3' A 6 . P A 6 . O5' A 6 . C5' parsed_2krz 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 6 . O3' A 7 . P A 7 . O5' A 7 . C5' parsed_2krz 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 8 . O3' A 9 . P A 9 . O5' A 9 . C5' parsed_2krz 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 10 . O3' A 11 . P A 11 . O5' A 11 . C5' parsed_2krz 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 11 . O3' A 12 . P A 12 . O5' A 12 . C5' parsed_2krz 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98 -38 . A 12 . O3' A 13 . P A 13 . O5' A 13 . C5' parsed_2krz 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 13 . O3' A 14 . P A 14 . O5' A 14 . C5' parsed_2krz 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 14 . O3' A 15 . P A 15 . O5' A 15 . C5' parsed_2krz 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 15 . O3' A 16 . P A 16 . O5' A 16 . C5' parsed_2krz 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . A 16 . O3' A 17 . P A 17 . O5' A 17 . C5' parsed_2krz 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 1 . C3' A 1 . O3' A 2 . P A 2 . O5' parsed_2krz 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 2 . C3' A 2 . O3' A 3 . P A 3 . O5' parsed_2krz 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 3 . C3' A 3 . O3' A 4 . P A 4 . O5' parsed_2krz 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 4 . C3' A 4 . O3' A 5 . P A 5 . O5' parsed_2krz 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 5 . C3' A 5 . O3' A 6 . P A 6 . O5' parsed_2krz 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 6 . C3' A 6 . O3' A 7 . P A 7 . O5' parsed_2krz 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 8 . C3' A 8 . O3' A 9 . P A 9 . O5' parsed_2krz 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 10 . C3' A 10 . O3' A 11 . P A 11 . O5' parsed_2krz 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -41 . A 11 . C3' A 11 . O3' A 12 . P A 12 . O5' parsed_2krz 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 12 . C3' A 12 . O3' A 13 . P A 13 . O5' parsed_2krz 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 13 . C3' A 13 . O3' A 14 . P A 14 . O5' parsed_2krz 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 14 . C3' A 14 . O3' A 15 . P A 15 . O5' parsed_2krz 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 15 . C3' A 15 . O3' A 16 . P A 16 . O5' parsed_2krz 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -51 . A 16 . C3' A 16 . O3' A 17 . P A 17 . O5' parsed_2krz 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 2 . P A 2 . O5' A 2 . C5' A 2 . C4' parsed_2krz 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 3 . P A 3 . O5' A 3 . C5' A 3 . C4' parsed_2krz 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 4 . P A 4 . O5' A 4 . C5' A 4 . C4' parsed_2krz 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 5 . P A 5 . O5' A 5 . C5' A 5 . C4' parsed_2krz 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 148 208 . A 6 . P A 6 . O5' A 6 . C5' A 6 . C4' parsed_2krz 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 12 . P A 12 . O5' A 12 . C5' A 12 . C4' parsed_2krz 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 13 . P A 13 . O5' A 13 . C5' A 13 . C4' parsed_2krz 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 14 . P A 14 . O5' A 14 . C5' A 14 . C4' parsed_2krz 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 15 . P A 15 . O5' A 15 . C5' A 15 . C4' parsed_2krz 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 16 . P A 16 . O5' A 16 . C5' A 16 . C4' parsed_2krz 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 198 . A 17 . P A 17 . O5' A 17 . C5' A 17 . C4' parsed_2krz 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 1 . O5' A 1 . C5' A 1 . C4' A 1 . C3' parsed_2krz 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 2 . O5' A 2 . C5' A 2 . C4' A 2 . C3' parsed_2krz 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 3 . O5' A 3 . C5' A 3 . C4' A 3 . C3' parsed_2krz 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 4 . O5' A 4 . C5' A 4 . C4' A 4 . C3' parsed_2krz 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 5 . O5' A 5 . C5' A 5 . C4' A 5 . C3' parsed_2krz 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . A 6 . O5' A 6 . C5' A 6 . C4' A 6 . C3' parsed_2krz 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24 84 . A 12 . O5' A 12 . C5' A 12 . C4' A 12 . C3' parsed_2krz 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 13 . O5' A 13 . C5' A 13 . C4' A 13 . C3' parsed_2krz 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 14 . O5' A 14 . C5' A 14 . C4' A 14 . C3' parsed_2krz 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 15 . O5' A 15 . C5' A 15 . C4' A 15 . C3' parsed_2krz 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 16 . O5' A 16 . C5' A 16 . C4' A 16 . C3' parsed_2krz 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34 74 . A 17 . O5' A 17 . C5' A 17 . C4' A 17 . C3' parsed_2krz 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 190 . A 10 . C5' A 10 . C4' A 10 . C3' A 10 . O3' parsed_2krz 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 1 . C5' A 1 . C4' A 1 . C3' A 1 . O3' parsed_2krz 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 2 . C5' A 2 . C4' A 2 . C3' A 2 . O3' parsed_2krz 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 3 . C5' A 3 . C4' A 3 . C3' A 3 . O3' parsed_2krz 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 4 . C5' A 4 . C4' A 4 . C3' A 4 . O3' parsed_2krz 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 5 . C5' A 5 . C4' A 5 . C3' A 5 . O3' parsed_2krz 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . A 6 . C5' A 6 . C4' A 6 . C3' A 6 . O3' parsed_2krz 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . A 7 . C5' A 7 . C4' A 7 . C3' A 7 . O3' parsed_2krz 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . A 8 . C5' A 8 . C4' A 8 . C3' A 8 . O3' parsed_2krz 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . A 9 . C5' A 9 . C4' A 9 . C3' A 9 . O3' parsed_2krz 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . A 11 . C5' A 11 . C4' A 11 . C3' A 11 . O3' parsed_2krz 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55 115 . A 12 . C5' A 12 . C4' A 12 . C3' A 12 . O3' parsed_2krz 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 13 . C5' A 13 . C4' A 13 . C3' A 13 . O3' parsed_2krz 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 14 . C5' A 14 . C4' A 14 . C3' A 14 . O3' parsed_2krz 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 15 . C5' A 15 . C4' A 15 . C3' A 15 . O3' parsed_2krz 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65 105 . A 16 . C5' A 16 . C4' A 16 . C3' A 16 . O3' parsed_2krz 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 2 . O4' A 2 . C1' A 2 . N1 A 2 . C2 parsed_2krz 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 3 . O4' A 3 . C1' A 3 . N9 A 3 . C4 parsed_2krz 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 4 . O4' A 4 . C1' A 4 . N9 A 4 . C4 parsed_2krz 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 5 . O4' A 5 . C1' A 5 . N9 A 5 . C4 parsed_2krz 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 6 . O4' A 6 . C1' A 6 . N1 A 6 . C2 parsed_2krz 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 7 . O4' A 7 . C1' A 7 . N1 A 7 . C2 parsed_2krz 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 8 . O4' A 8 . C1' A 8 . N1 A 8 . C2 parsed_2krz 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 9 . O4' A 9 . C1' A 9 . N9 A 9 . C4 parsed_2krz 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 10 . O4' A 10 . C1' A 10 . N1 A 10 . C2 parsed_2krz 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 11 . O4' A 11 . C1' A 11 . N9 A 11 . C4 parsed_2krz 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 12 . O4' A 12 . C1' A 12 . N1 A 12 . C2 parsed_2krz 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188 -128 . A 13 . O4' A 13 . C1' A 13 . N1 A 13 . C2 parsed_2krz 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 14 . O4' A 14 . C1' A 14 . N1 A 14 . C2 parsed_2krz 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 15 . O4' A 15 . C1' A 15 . N1 A 15 . C2 parsed_2krz 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 16 . O4' A 16 . C1' A 16 . N9 A 16 . C4 parsed_2krz 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178 -138 . A 17 . O4' A 17 . C1' A 17 . N9 A 17 . C4 parsed_2krz 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 1 . C4' A 1 . C3' A 1 . O3' A 2 . P parsed_2krz 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 2 . C4' A 2 . C3' A 2 . O3' A 3 . P parsed_2krz 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 3 . C4' A 3 . C3' A 3 . O3' A 4 . P parsed_2krz 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 4 . C4' A 4 . C3' A 4 . O3' A 5 . P parsed_2krz 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 5 . C4' A 5 . C3' A 5 . O3' A 6 . P parsed_2krz 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 6 . C4' A 6 . C3' A 6 . O3' A 7 . P parsed_2krz 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 7 . C4' A 7 . C3' A 7 . O3' A 8 . P parsed_2krz 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 8 . C4' A 8 . C3' A 8 . O3' A 9 . P parsed_2krz 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 9 . C4' A 9 . C3' A 9 . O3' A 10 . P parsed_2krz 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 10 . C4' A 10 . C3' A 10 . O3' A 11 . P parsed_2krz 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 11 . C4' A 11 . C3' A 11 . O3' A 12 . P parsed_2krz 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 12 . C4' A 12 . C3' A 12 . O3' A 13 . P parsed_2krz 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 13 . C4' A 13 . C3' A 13 . O3' A 14 . P parsed_2krz 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 14 . C4' A 14 . C3' A 14 . O3' A 15 . P parsed_2krz 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 15 . C4' A 15 . C3' A 15 . O3' A 16 . P parsed_2krz 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240 0 . A 16 . C4' A 16 . C3' A 16 . O3' A 17 . P parsed_2krz 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 "alpha o3'-p-o5'-c5' -> 31P all phosphat together, no important downfield" 1 1 1 74 parsed_2krz 1
2 "ZETA C3'-O3'-P-O5' 31P all together +- 0.7ppm" 30 1 30 47 parsed_2krz 1
3
;
beta P-O5'-C5'-C4' stem standard A-form, no restraints for loop (see cosy for restraints: small 3JH4'-H5' and 3JH4'-H5'' -> gauche+),
important 3JH4'-H5' and 3JH4'-H5'' => trans or gauche (-))
;
59 1 60 61 parsed_2krz 1
4 "gamma O5'-C5'-C4'-C3' (gauche (+) 60+-30) stem A-form (31P heterotocsy -> 4JPH4' coupling)" 83 1 83 92 parsed_2krz 1
5 "DELTA SUGAR PUCKER C5'-C4'-C3'-O3' 85+-15 c3'-endo; 160+-30 c2'-endo cosy 3JH1'-H2'" 108 1 108 85 parsed_2krz 1
6
;
sugar pucker G36 U33, G43 => unrestrained
CHI PURINE O4'-C1'-N9-C4 -158 Chi angle for C2'-endo residue -130+-40 (C35, U34 and A37)
PYRIMIDINE O4'-C1'-N1-C2 based on intra-noe H8/H6-H1'
;
142 1 144 56 parsed_2krz 1
7 "EPSILON C4'-C3'-O3'-P stem A form -153; loop residues constraint to avoid gauche+ conformation (steric clashes)" 177 1 177 114 parsed_2krz 1
stop_
save_
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