NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
28789 |
171d   |
cing | 2-parsed | STAR | entry | full | 120 |
data_171d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_171d
_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_171d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_171d
_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 171d "Master copy" parsed_171d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_171d
_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 171d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_171d 1
1 171d.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 120 parsed_171d 1
1 171d.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_171d 1
1 171d.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_171d 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_171d
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER DEOXYRIBONUCLEIC ACID 14-MAR-94 171D 171D 2
*COMPND DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') 171D 3
*COMPND 2 SELF-COMPLEMENTARY CONTROL DODECAMER DUPLEX 171D 4
*COMPND 3 (NMR, MINIMIZED AVERAGE STRUCTURE) 171D 5
*SOURCE SYNTHETIC 171D 6
*EXPDTA NMR 171D 7
*AUTHOR B.I.SCHWEITZER,T.MIKITA,G.W.KELLOGG,K.H.GARDNER, 171D 8
*AUTHOR 2 G.P.BEARDSLEY 171D 9
*REVDAT 1 31-JUL-94 171D 0 171D 10
remarks X-PLOR sugar dihedral restraint file for cytosine arabinoside
substituted DNA
remarks 5'-d(*CP*GP*CP*GP*AP*AP*TP*TP*)ara(CP*)d(GP*CP*G)-3'
set message=off echo=off end
!C1, G12: P = 72-100
!C3,C11: P = 110-144
!A5,A6,T7,T8: P = 120-162
!G2,G4,G10: P = 144-162
!ARA9: P = 0-70
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_171d
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_171d 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' parsed_171d 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_171d 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_171d 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_171d 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_171d 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_171d 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_171d 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.6 9.4 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_171d 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_171d 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' parsed_171d 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_171d 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_171d 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_171d 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_171d 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_171d 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_171d 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_171d 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_171d 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_171d 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.8 2.2 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_171d 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_171d 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_171d 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_171d 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_171d 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_171d 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_171d 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_171d 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_171d 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_171d 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_171d 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_171d 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.6 40.6 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_171d 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_171d 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_171d 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_171d 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_171d 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' parsed_171d 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_171d 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_171d 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_171d 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_171d 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_171d 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_171d 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.3 -34.3 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_171d 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_171d 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' parsed_171d 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_171d 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_171d 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 2 . C3' . 2 . C4' . 2 . O4' . 2 . C1' parsed_171d 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_171d 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_171d 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_171d 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_171d 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_171d 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_171d 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.1 39.1 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_171d 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_171d 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 11 . C3' . 11 . C4' . 11 . O4' . 11 . C1' parsed_171d 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_171d 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_171d 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 14 . C4' . 14 . O4' . 14 . C1' . 14 . C2' parsed_171d 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 15 . C4' . 15 . O4' . 15 . C1' . 15 . C2' parsed_171d 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 16 . C4' . 16 . O4' . 16 . C1' . 16 . C2' parsed_171d 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 17 . C4' . 17 . O4' . 17 . C1' . 17 . C2' parsed_171d 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 18 . C4' . 18 . O4' . 18 . C1' . 18 . C2' parsed_171d 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 19 . C4' . 19 . O4' . 19 . C1' . 19 . C2' parsed_171d 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -22.5 . . 20 . C4' . 20 . O4' . 20 . C1' . 20 . C2' parsed_171d 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.6 9.4 . . 21 . C4' . 21 . O4' . 21 . C1' . 21 . C2' parsed_171d 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.8 -21.8 . . 22 . C4' . 22 . O4' . 22 . C1' . 22 . C2' parsed_171d 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -30.5 . . 23 . C4' . 23 . O4' . 23 . C1' . 23 . C2' parsed_171d 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.8 -30.8 . . 24 . C4' . 24 . O4' . 24 . C1' . 24 . C2' parsed_171d 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_171d 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_171d 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 15 . O4' . 15 . C1' . 15 . C2' . 15 . C3' parsed_171d 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_171d 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_171d 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_171d 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_171d 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.5 37.5 . . 20 . O4' . 20 . C1' . 20 . C2' . 20 . C3' parsed_171d 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.8 2.2 . . 21 . O4' . 21 . C1' . 21 . C2' . 21 . C3' parsed_171d 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 37.0 . . 22 . O4' . 22 . C1' . 22 . C2' . 22 . C3' parsed_171d 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 37.9 . . 23 . O4' . 23 . C1' . 23 . C2' . 23 . C3' parsed_171d 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.3 26.3 . . 24 . O4' . 24 . C1' . 24 . C2' . 24 . C3' parsed_171d 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_171d 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_171d 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 15 . C1' . 15 . C2' . 15 . C3' . 15 . C4' parsed_171d 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_171d 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_171d 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_171d 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_171d 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -21.5 . . 20 . C1' . 20 . C2' . 20 . C3' . 20 . C4' parsed_171d 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.6 40.6 . . 21 . C1' . 21 . C2' . 21 . C3' . 21 . C4' parsed_171d 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.5 -29.5 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_171d 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -14.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_171d 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -6.45 11.55 . . 24 . C1' . 24 . C2' . 24 . C3' . 24 . C4' parsed_171d 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_171d 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 14 . C2' . 14 . C3' . 14 . C4' . 14 . O4' parsed_171d 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 15 . C2' . 15 . C3' . 15 . C4' . 15 . O4' parsed_171d 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 16 . C2' . 16 . C3' . 16 . C4' . 16 . O4' parsed_171d 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 17 . C2' . 17 . C3' . 17 . C4' . 17 . O4' parsed_171d 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 18 . C2' . 18 . C3' . 18 . C4' . 18 . O4' parsed_171d 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 19 . C2' . 19 . C3' . 19 . C4' . 19 . O4' parsed_171d 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3.3 19.3 . . 20 . C2' . 20 . C3' . 20 . C4' . 20 . O4' parsed_171d 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.3 -34.3 . . 21 . C2' . 21 . C3' . 21 . C4' . 21 . O4' parsed_171d 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11.5 21.5 . . 22 . C2' . 22 . C3' . 22 . C4' . 22 . O4' parsed_171d 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -9.40 10.60 . . 23 . C2' . 23 . C3' . 23 . C4' . 23 . O4' parsed_171d 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.5 -17.5 . . 24 . C2' . 24 . C3' . 24 . C4' . 24 . O4' parsed_171d 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_171d 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 14 . C3' . 14 . C4' . 14 . O4' . 14 . C1' parsed_171d 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 15 . C3' . 15 . C4' . 15 . O4' . 15 . C1' parsed_171d 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 16 . C3' . 16 . C4' . 16 . O4' . 16 . C1' parsed_171d 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 17 . C3' . 17 . C4' . 17 . O4' . 17 . C1' parsed_171d 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 18 . C3' . 18 . C4' . 18 . O4' . 18 . C1' parsed_171d 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 19 . C3' . 19 . C4' . 19 . O4' . 19 . C1' parsed_171d 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.7 23.3 . . 20 . C3' . 20 . C4' . 20 . O4' . 20 . C1' parsed_171d 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.1 39.1 . . 21 . C3' . 21 . C4' . 21 . O4' . 21 . C1' parsed_171d 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.30 11.70 . . 22 . C3' . 22 . C4' . 22 . O4' . 22 . C1' parsed_171d 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 30.0 . . 23 . C3' . 23 . C4' . 23 . O4' . 23 . C1' parsed_171d 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.4 37.4 . . 24 . C3' . 24 . C4' . 24 . O4' . 24 . C1' parsed_171d 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
;
--------------------------------------------------------------------
SUGAR pucker restraints
Determined by E.COSY analysis
--------------------------------------------------------------------
nu zero
--------------------------------------------------------------------
;
1 1 6 70 parsed_171d 1
2
;
--------------------------------------------------------------------
nu one
--------------------------------------------------------------------
;
31 1 33 70 parsed_171d 1
3
;
-------------------------------------------------------------------
nu two
-------------------------------------------------------------------
;
59 1 61 69 parsed_171d 1
4
;
-------------------------------------------------------------------
nu three
-------------------------------------------------------------------
;
88 1 90 69 parsed_171d 1
5
;
-------------------------------------------------------------------
nu four
-------------------------------------------------------------------
;
116 1 118 69 parsed_171d 1
6
;
STRAND 2-----------------------------------------------------------
nu zero
--------------------------------------------------------------------
;
144 1 146 70 parsed_171d 1
7
;
--------------------------------------------------------------------
nu one
--------------------------------------------------------------------
;
171 1 173 70 parsed_171d 1
8
;
-------------------------------------------------------------------
nu two
-------------------------------------------------------------------
;
199 1 201 69 parsed_171d 1
9
;
-------------------------------------------------------------------
nu three
-------------------------------------------------------------------
;
228 1 230 69 parsed_171d 1
10
;
-------------------------------------------------------------------
nu four
-------------------------------------------------------------------
;
256 1 258 69 parsed_171d 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_171d
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=on echo=on end
;
save_
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