NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
649430 |
6pk9   |
30622 | cing | 2-parsed | STAR | entry | full | 138 |
data_6pk9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6pk9
_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_6pk9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6pk9
_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 6pk9 "Master copy" parsed_6pk9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6pk9
_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 6pk9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pk9 1
1 6pk9.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 34 parsed_6pk9 1
1 6pk9.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_6pk9 1
1 6pk9.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 104 parsed_6pk9 1
1 6pk9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pk9 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_6pk9
_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 REPLICATION 28-JUN-19 6PK9
*TITLE SOLUTION STRUCTURE OF LNCRNA (LINK-A) 20-NT HEXALOOP HAIRPIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: RNA (5'-
*COMPND 3 R(*GP*GP*AP*GP*GP*GP*UP*AP*GP*AP*CP*UP*CP*GP*CP*UP*CP*UP*CP*C)-3');
*COMPND 4 CHAIN: A;
*COMPND 5 SYNONYM: LINK-A;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_COMMON: HUMAN;
*SOURCE 5 ORGANISM_TAXID: 9606
*KEYWDS RNA, LINK-A, LNCRNA, HAIRPIN, REPLICATION
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR A.Y.AMADO,M.WALKER,G.VARANI
*REVDAT 1 01-JUL-20 6PK9 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6pk9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6pk9 1
2 1 . . . parsed_6pk9 1
3 1 . . . parsed_6pk9 1
4 1 . . . parsed_6pk9 1
5 1 . . . parsed_6pk9 1
6 1 . . . parsed_6pk9 1
7 1 . . . parsed_6pk9 1
8 1 . . . parsed_6pk9 1
9 1 . . . parsed_6pk9 1
10 1 . . . parsed_6pk9 1
11 1 . . . parsed_6pk9 1
12 1 . . . parsed_6pk9 1
13 1 . . . parsed_6pk9 1
14 1 . . . parsed_6pk9 1
15 1 . . . parsed_6pk9 1
16 1 . . . parsed_6pk9 1
17 1 . . . parsed_6pk9 1
18 1 . . . parsed_6pk9 1
19 1 . . . parsed_6pk9 1
20 1 . . . parsed_6pk9 1
21 1 . . . parsed_6pk9 1
22 1 . . . parsed_6pk9 1
23 1 . . . parsed_6pk9 1
24 1 . . . parsed_6pk9 1
25 1 . . . parsed_6pk9 1
26 1 . . . parsed_6pk9 1
27 1 . . . parsed_6pk9 1
28 1 . . . parsed_6pk9 1
29 1 . . . parsed_6pk9 1
30 1 . . . parsed_6pk9 1
31 1 . . . parsed_6pk9 1
32 1 . . . parsed_6pk9 1
33 1 . . . parsed_6pk9 1
34 1 . . . parsed_6pk9 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . N1 parsed_6pk9 1
1 1 2 . . . . . . . . . 20 . N3 parsed_6pk9 1
2 1 1 . . . . . . . . . 1 . O6 parsed_6pk9 1
2 1 2 . . . . . . . . . 20 . N4 parsed_6pk9 1
3 1 1 . . . . . . . . . 1 . N2 parsed_6pk9 1
3 1 2 . . . . . . . . . 20 . O2 parsed_6pk9 1
4 1 1 . . . . . . . . . 1 . H1 parsed_6pk9 1
4 1 2 . . . . . . . . . 20 . N3 parsed_6pk9 1
5 1 1 . . . . . . . . . 1 . O6 parsed_6pk9 1
5 1 2 . . . . . . . . . 20 . H41 parsed_6pk9 1
6 1 1 . . . . . . . . . 1 . H21 parsed_6pk9 1
6 1 2 . . . . . . . . . 20 . O2 parsed_6pk9 1
7 1 1 . . . . . . . . . 2 . N1 parsed_6pk9 1
7 1 2 . . . . . . . . . 19 . N3 parsed_6pk9 1
8 1 1 . . . . . . . . . 2 . O6 parsed_6pk9 1
8 1 2 . . . . . . . . . 19 . N4 parsed_6pk9 1
9 1 1 . . . . . . . . . 2 . N2 parsed_6pk9 1
9 1 2 . . . . . . . . . 19 . O2 parsed_6pk9 1
10 1 1 . . . . . . . . . 2 . H1 parsed_6pk9 1
10 1 2 . . . . . . . . . 19 . N3 parsed_6pk9 1
11 1 1 . . . . . . . . . 2 . O6 parsed_6pk9 1
11 1 2 . . . . . . . . . 19 . H41 parsed_6pk9 1
12 1 1 . . . . . . . . . 2 . H21 parsed_6pk9 1
12 1 2 . . . . . . . . . 19 . O2 parsed_6pk9 1
13 1 1 . . . . . . . . . 3 . N1 parsed_6pk9 1
13 1 2 . . . . . . . . . 18 . N3 parsed_6pk9 1
14 1 1 . . . . . . . . . 3 . N6 parsed_6pk9 1
14 1 2 . . . . . . . . . 18 . O4 parsed_6pk9 1
15 1 1 . . . . . . . . . 3 . N1 parsed_6pk9 1
15 1 2 . . . . . . . . . 18 . H3 parsed_6pk9 1
16 1 1 . . . . . . . . . 3 . H61 parsed_6pk9 1
16 1 2 . . . . . . . . . 18 . O4 parsed_6pk9 1
17 1 1 . . . . . . . . . 4 . N1 parsed_6pk9 1
17 1 2 . . . . . . . . . 17 . N3 parsed_6pk9 1
18 1 1 . . . . . . . . . 4 . O6 parsed_6pk9 1
18 1 2 . . . . . . . . . 17 . N4 parsed_6pk9 1
19 1 1 . . . . . . . . . 4 . N2 parsed_6pk9 1
19 1 2 . . . . . . . . . 17 . O2 parsed_6pk9 1
20 1 1 . . . . . . . . . 4 . H1 parsed_6pk9 1
20 1 2 . . . . . . . . . 17 . N3 parsed_6pk9 1
21 1 1 . . . . . . . . . 4 . O6 parsed_6pk9 1
21 1 2 . . . . . . . . . 17 . H41 parsed_6pk9 1
22 1 1 . . . . . . . . . 4 . H21 parsed_6pk9 1
22 1 2 . . . . . . . . . 17 . O2 parsed_6pk9 1
23 1 1 . . . . . . . . . 6 . N1 parsed_6pk9 1
23 1 2 . . . . . . . . . 15 . N3 parsed_6pk9 1
24 1 1 . . . . . . . . . 6 . O6 parsed_6pk9 1
24 1 2 . . . . . . . . . 15 . N4 parsed_6pk9 1
25 1 1 . . . . . . . . . 6 . N2 parsed_6pk9 1
25 1 2 . . . . . . . . . 15 . O2 parsed_6pk9 1
26 1 1 . . . . . . . . . 6 . H1 parsed_6pk9 1
26 1 2 . . . . . . . . . 15 . N3 parsed_6pk9 1
27 1 1 . . . . . . . . . 6 . O6 parsed_6pk9 1
27 1 2 . . . . . . . . . 15 . H41 parsed_6pk9 1
28 1 1 . . . . . . . . . 6 . H21 parsed_6pk9 1
28 1 2 . . . . . . . . . 15 . O2 parsed_6pk9 1
29 1 1 . . . . . . . . . 5 . O6 parsed_6pk9 1
29 1 2 . . . . . . . . . 16 . H3 parsed_6pk9 1
30 1 1 . . . . . . . . . 5 . O6 parsed_6pk9 1
30 1 2 . . . . . . . . . 16 . N3 parsed_6pk9 1
31 1 1 . . . . . . . . . 5 . H1 parsed_6pk9 1
31 1 2 . . . . . . . . . 16 . O2 parsed_6pk9 1
32 1 1 . . . . . . . . . 5 . N1 parsed_6pk9 1
32 1 2 . . . . . . . . . 16 . O2 parsed_6pk9 1
33 1 1 . . . . . . . . . 7 . N3 parsed_6pk9 1
33 1 2 . . . . . . . . . 14 . O6 parsed_6pk9 1
34 1 1 . . . . . . . . . 7 . O2 parsed_6pk9 1
34 1 2 . . . . . . . . . 14 . N1 parsed_6pk9 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
2 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
3 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
4 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
5 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
6 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
7 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
8 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
9 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
10 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
11 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
12 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
13 1 . . . . . 2.73 2.53 2.93 parsed_6pk9 1
14 1 . . . . . 2.92 2.72 3.12 parsed_6pk9 1
15 1 . . . . . 1.73 1.53 1.93 parsed_6pk9 1
16 1 . . . . . 1.92 1.72 2.12 parsed_6pk9 1
17 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
18 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
19 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
20 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
21 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
22 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
23 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
24 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
25 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
26 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
27 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
28 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
29 1 . . . . . 1.9 1.80 2.20 parsed_6pk9 1
30 1 . . . . . 3.0 2.72 3.08 parsed_6pk9 1
31 1 . . . . . 1.9 1.80 2.20 parsed_6pk9 1
32 1 . . . . . 3.0 2.72 3.08 parsed_6pk9 1
33 1 . . . . . 2.95 2.64 3.17 parsed_6pk9 1
34 1 . . . . . 2.95 2.64 3.17 parsed_6pk9 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
Hydrogen bond restraints
for G1/ C20 base pair
;
2 1 4 26 parsed_6pk9 1
2 "for G2/ C19 base pair" 11 1 11 26 parsed_6pk9 1
3 "for A3/ U18 base pair" 18 1 18 24 parsed_6pk9 1
4 "for G4/ C17 base pair" 23 1 23 26 parsed_6pk9 1
5 "for G6/ C15 base pair" 30 1 30 26 parsed_6pk9 1
6
;
U-G basepair Hydrogen Bonds
for G5/ U16 base pair
;
38 1 40 24 parsed_6pk9 1
7
;
for U7/ G14 base pair
assign (resid 14 and name O6) (resid 7 and name H3) 1.9 0.1 0.30
assign (resid 14 and name O6) (resid 7 and name N3) 3.0 0.28 0.08
assign (resid 14 and name H1) (resid 7 and name O2) 1.9 0.1 0.30
assign (resid 14 and name N1) (resid 7 and name O2) 3.0 0.28 0.08
;
46 1 50 68 parsed_6pk9 1
8 UG516 51 71 51 77 parsed_6pk9 1
9 "UG516# Restraints file 2: D_1000241105_mr_P2.xplor-nih.V1" 52 71 52 129 parsed_6pk9 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: hydrogenbond_LINKA.tbl" 1 1 1 43 parsed_6pk9 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6pk9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_6pk9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_6pk9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 2 . c5' . 2 . c4' . 2 . c3' . 2 . o3' parsed_6pk9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_6pk9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 2 . P . 2 . O5' . 2 . C5' . 2 . C4' parsed_6pk9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 2 . O5' . 2 . C5' . 2 . C4' . 2 . C3' parsed_6pk9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_6pk9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 2 . C3' . 2 . O3' . 3 . P . 3 . O5' parsed_6pk9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_6pk9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_6pk9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 3 . c5' . 3 . c4' . 3 . c3' . 3 . o3' parsed_6pk9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_6pk9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 2 . O3' . 3 . P . 3 . O5' . 3 . C5' parsed_6pk9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 3 . P . 3 . O5' . 3 . C5' . 3 . C4' parsed_6pk9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 3 . O5' . 3 . C5' . 3 . C4' . 3 . C3' parsed_6pk9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_6pk9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 3 . C3' . 3 . O3' . 4 . P . 4 . O5' parsed_6pk9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_6pk9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_6pk9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 4 . c5' . 4 . c4' . 4 . c3' . 4 . o3' parsed_6pk9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_6pk9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 3 . O3' . 4 . P . 4 . O5' . 4 . C5' parsed_6pk9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 4 . P . 4 . O5' . 4 . C5' . 4 . C4' parsed_6pk9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 4 . O5' . 4 . C5' . 4 . C4' . 4 . C3' parsed_6pk9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_6pk9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 4 . C3' . 4 . O3' . 5 . P . 5 . O5' parsed_6pk9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_6pk9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_6pk9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 5 . c5' . 5 . c4' . 5 . c3' . 5 . o3' parsed_6pk9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_6pk9 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 4 . O3' . 5 . P . 5 . O5' . 5 . C5' parsed_6pk9 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 5 . P . 5 . O5' . 5 . C5' . 5 . C4' parsed_6pk9 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 5 . O5' . 5 . C5' . 5 . C4' . 5 . C3' parsed_6pk9 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_6pk9 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 5 . C3' . 5 . O3' . 6 . P . 6 . O5' parsed_6pk9 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_6pk9 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_6pk9 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 6 . c5' . 6 . c4' . 6 . c3' . 6 . o3' parsed_6pk9 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_6pk9 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 5 . O3' . 6 . P . 6 . O5' . 6 . C5' parsed_6pk9 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 6 . P . 6 . O5' . 6 . C5' . 6 . C4' parsed_6pk9 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 6 . O5' . 6 . C5' . 6 . C4' . 6 . C3' parsed_6pk9 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_6pk9 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 6 . C3' . 6 . O3' . 7 . P . 7 . O5' parsed_6pk9 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_6pk9 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_6pk9 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 7 . c5' . 7 . c4' . 7 . c3' . 7 . o3' parsed_6pk9 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 7 . O4' . 7 . C1' . 7 . N1 . 7 . C2 parsed_6pk9 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 6 . O3' . 7 . P . 7 . O5' . 7 . C5' parsed_6pk9 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 7 . P . 7 . O5' . 7 . C5' . 7 . C4' parsed_6pk9 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 7 . O5' . 7 . C5' . 7 . C4' . 7 . C3' parsed_6pk9 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_6pk9 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 14 . O4' . 14 . C1' . 14 . C2' . 14 . C3' parsed_6pk9 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 14 . C1' . 14 . C2' . 14 . C3' . 14 . C4' parsed_6pk9 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 14 . c5' . 14 . c4' . 14 . c3' . 14 . o3' parsed_6pk9 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_6pk9 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 14 . P . 14 . O5' . 14 . C5' . 14 . C4' parsed_6pk9 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 14 . O5' . 14 . C5' . 14 . C4' . 14 . C3' parsed_6pk9 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_6pk9 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 14 . C3' . 14 . O3' . 15 . P . 15 . O5' parsed_6pk9 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 15 . O4' . 15 . C1' . 15 . C2' . 15 . C3' parsed_6pk9 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 15 . C1' . 15 . C2' . 15 . C3' . 15 . C4' parsed_6pk9 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 15 . c5' . 15 . c4' . 15 . c3' . 15 . o3' parsed_6pk9 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 15 . O4' . 15 . C1' . 15 . N1 . 15 . C2 parsed_6pk9 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 14 . O3' . 15 . P . 15 . O5' . 15 . C5' parsed_6pk9 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 15 . P . 15 . O5' . 15 . C5' . 15 . C4' parsed_6pk9 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 15 . O5' . 15 . C5' . 15 . C4' . 15 . C3' parsed_6pk9 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_6pk9 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_6pk9 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 16 . O4' . 16 . C1' . 16 . C2' . 16 . C3' parsed_6pk9 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 16 . C1' . 16 . C2' . 16 . C3' . 16 . C4' parsed_6pk9 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 16 . c5' . 16 . c4' . 16 . c3' . 16 . o3' parsed_6pk9 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_6pk9 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_6pk9 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 16 . P . 16 . O5' . 16 . C5' . 16 . C4' parsed_6pk9 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 16 . O5' . 16 . C5' . 16 . C4' . 16 . C3' parsed_6pk9 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_6pk9 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_6pk9 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_6pk9 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_6pk9 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 17 . c5' . 17 . c4' . 17 . c3' . 17 . o3' parsed_6pk9 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_6pk9 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_6pk9 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 17 . P . 17 . O5' . 17 . C5' . 17 . C4' parsed_6pk9 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 17 . O5' . 17 . C5' . 17 . C4' . 17 . C3' parsed_6pk9 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_6pk9 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 17 . C3' . 17 . O3' . 18 . P . 18 . O5' parsed_6pk9 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_6pk9 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_6pk9 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 18 . c5' . 18 . c4' . 18 . c3' . 18 . o3' parsed_6pk9 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 18 . O4' . 18 . C1' . 18 . N1 . 18 . C2 parsed_6pk9 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 17 . O3' . 18 . P . 18 . O5' . 18 . C5' parsed_6pk9 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 18 . P . 18 . O5' . 18 . C5' . 18 . C4' parsed_6pk9 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_6pk9 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_6pk9 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -20.0 . . 18 . C3' . 18 . O3' . 19 . P . 19 . O5' parsed_6pk9 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 -10.0 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_6pk9 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 40.0 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_6pk9 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 105.0 . . 19 . c5' . 19 . c4' . 19 . c3' . 19 . o3' parsed_6pk9 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 -60.0 . . 19 . O4' . 19 . C1' . 19 . N1 . 19 . C2 parsed_6pk9 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 18 . O3' . 19 . P . 19 . O5' . 19 . C5' parsed_6pk9 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 19 . P . 19 . O5' . 19 . C5' . 19 . C4' parsed_6pk9 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -110.0 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_6pk9 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 19 . O5' . 19 . C5' . 20 . C4' . 20 . C3' parsed_6pk9 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 G2 1 1 1 11 parsed_6pk9 1
2 "backbone beta" 14 1 14 15 parsed_6pk9 1
3 "backbone gama" 17 1 17 15 parsed_6pk9 1
4 "backbone epsilon" 20 1 20 18 parsed_6pk9 1
5 "backbone zeta" 23 1 23 15 parsed_6pk9 1
6 A3 27 1 27 11 parsed_6pk9 1
7 "backbone alpha" 40 1 40 16 parsed_6pk9 1
8 "backbone beta" 43 1 43 15 parsed_6pk9 1
9 "backbone gama" 46 1 46 15 parsed_6pk9 1
10 "backbone epsilon" 49 1 49 18 parsed_6pk9 1
11 "backbone zeta" 52 1 52 15 parsed_6pk9 1
12 G4 56 1 56 11 parsed_6pk9 1
13 "backbone alpha" 69 1 69 16 parsed_6pk9 1
14 "backbone beta" 72 1 72 15 parsed_6pk9 1
15 "backbone gama" 75 1 75 15 parsed_6pk9 1
16 "backbone epsilon" 78 1 78 18 parsed_6pk9 1
17 "backbone zeta" 81 1 81 15 parsed_6pk9 1
18 G5 85 1 85 11 parsed_6pk9 1
19 "backbone alpha" 98 1 98 16 parsed_6pk9 1
20 "backbone beta" 101 1 101 15 parsed_6pk9 1
21 "backbone gama" 104 1 104 15 parsed_6pk9 1
22 "backbone epsilon" 107 1 107 18 parsed_6pk9 1
23 "backbone zeta" 110 1 110 15 parsed_6pk9 1
24 G6 115 1 115 11 parsed_6pk9 1
25 "backbone alpha" 128 1 128 16 parsed_6pk9 1
26 "backbone beta" 131 1 131 15 parsed_6pk9 1
27 "backbone gama" 134 1 134 15 parsed_6pk9 1
28 "backbone epsilon" 137 1 137 18 parsed_6pk9 1
29 "backbone zeta" 140 1 140 15 parsed_6pk9 1
30 U7 144 1 144 11 parsed_6pk9 1
31 "backbone alpha" 157 1 157 16 parsed_6pk9 1
32 "backbone beta" 160 1 160 15 parsed_6pk9 1
33 "backbone gama" 163 1 163 15 parsed_6pk9 1
34 "backbone epsilon" 166 1 166 18 parsed_6pk9 1
35 G14 170 1 170 12 parsed_6pk9 1
36 "backbone beta" 183 1 183 15 parsed_6pk9 1
37 "backbone gama" 186 1 186 15 parsed_6pk9 1
38 "backbone epsilon" 189 1 189 18 parsed_6pk9 1
39 "backbone zeta" 192 1 192 15 parsed_6pk9 1
40 C15 196 1 196 12 parsed_6pk9 1
41 "backbone alpha" 209 1 209 16 parsed_6pk9 1
42 "backbone beta" 212 1 212 15 parsed_6pk9 1
43 "backbone gama" 215 1 215 15 parsed_6pk9 1
44 "backbone epsilon" 218 1 218 18 parsed_6pk9 1
45 "backbone zeta" 221 1 221 15 parsed_6pk9 1
46 U16 225 1 225 12 parsed_6pk9 1
47 "backbone alpha" 238 1 238 16 parsed_6pk9 1
48 "backbone beta" 241 1 241 15 parsed_6pk9 1
49 "backbone gama" 244 1 244 15 parsed_6pk9 1
50 "backbone epsilon" 247 1 247 18 parsed_6pk9 1
51 "backbone zeta" 250 1 250 15 parsed_6pk9 1
52 C17 254 1 254 12 parsed_6pk9 1
53 "backbone alpha" 267 1 267 16 parsed_6pk9 1
54 "backbone beta" 270 1 270 15 parsed_6pk9 1
55 "backbone gama" 273 1 273 15 parsed_6pk9 1
56 "backbone epsilon" 276 1 276 18 parsed_6pk9 1
57 "backbone zeta" 279 1 279 15 parsed_6pk9 1
58 U18 283 1 283 12 parsed_6pk9 1
59 "backbone alpha" 296 1 296 16 parsed_6pk9 1
60 "backbone beta" 299 1 299 15 parsed_6pk9 1
61 "backbone gama" 302 1 302 15 parsed_6pk9 1
62 "backbone epsilon" 305 1 305 18 parsed_6pk9 1
63 "backbone zeta" 308 1 308 15 parsed_6pk9 1
64 C19 312 1 312 12 parsed_6pk9 1
65 "backbone alpha" 325 1 325 16 parsed_6pk9 1
66 "backbone beta" 328 1 328 15 parsed_6pk9 1
67 "backbone epsilon" 331 1 331 18 parsed_6pk9 1
68 "backbone gama" 334 1 334 15 parsed_6pk9 1
stop_
save_
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