NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
532180 |
2lk3   |
17972 | cing | 2-parsed | STAR | dihedral angle | 32 |
data_2lk3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lk3
_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_2lk3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lk3
_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 2lk3 "Master copy" parsed_2lk3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lk3
_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 2lk3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lk3 1
1 2lk3.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 47 parsed_2lk3 1
1 2lk3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 92 parsed_2lk3 1
1 2lk3.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 17 parsed_2lk3 1
1 2lk3.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_2lk3 1
1 2lk3.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_2lk3 1
1 2lk3.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lk3 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lk3
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 55.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_2lk3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_2lk3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_2lk3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_2lk3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_2lk3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_2lk3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_2lk3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_2lk3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 40.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_2lk3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -20.0 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_2lk3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_2lk3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_2lk3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_2lk3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_2lk3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_2lk3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_2lk3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_2lk3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_2lk3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 55.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_2lk3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -5.0 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_2lk3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 17 . O4' . 17 . C1' . 17 . C2' . 17 . C3' parsed_2lk3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 17 . C1' . 17 . C2' . 17 . C3' . 17 . C4' parsed_2lk3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 18 . O4' . 18 . C1' . 18 . C2' . 18 . C3' parsed_2lk3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 18 . C1' . 18 . C2' . 18 . C3' . 18 . C4' parsed_2lk3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 19 . O4' . 19 . C1' . 19 . C2' . 19 . C3' parsed_2lk3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 19 . C1' . 19 . C2' . 19 . C3' . 19 . C4' parsed_2lk3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 21 . O4' . 21 . C1' . 21 . C2' . 21 . C3' parsed_2lk3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 60.0 . . 21 . C1' . 21 . C2' . 21 . C3' . 21 . C4' parsed_2lk3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 22 . O4' . 22 . C1' . 22 . C2' . 22 . C3' parsed_2lk3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 22 . C1' . 22 . C2' . 22 . C3' . 22 . C4' parsed_2lk3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -10.0 . . 23 . O4' . 23 . C1' . 23 . C2' . 23 . C3' parsed_2lk3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 52.0 . . 23 . C1' . 23 . C2' . 23 . C3' . 23 . C4' parsed_2lk3 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "*dihedral angles v1 and v2 indicating North or South sugar*" 1 1 1 1 parsed_2lk3 1
2 "*conformation - taken from 1'-2' couplings in VSI RNA*" 2 1 2 1 parsed_2lk3 1
3 *South* 12 61 12 61 parsed_2lk3 1
4 *North* 22 60 22 60 parsed_2lk3 1
5 *North* 32 60 32 60 parsed_2lk3 1
6
;
assign (resi 4 and name O4' )
(resi 4 and name C1' )
(resi 4 and name C2' )
(resi 4 and name C3' ) 1.0 25.0 15.0 2
assign (resi 4 and name C1' )
(resi 4 and name C2' )
(resi 4 and name C3' )
(resi 4 and name C4' ) 1.0 -35.0 15.0 2 {*South*}
;
34 1 42 78 parsed_2lk3 1
7 *South* 52 60 52 60 parsed_2lk3 1
8 *South* 62 61 62 61 parsed_2lk3 1
9
;
assign (resi 7 and name O4' )
(resi 7 and name C1' )
(resi 7 and name C2' )
(resi 7 and name C3' ) 1.0 25.0 30.0 2
assign (resi 7 and name C1' )
(resi 7 and name C2' )
(resi 7 and name C3' )
(resi 7 and name C4' ) 1.0 -35.0 30.0 2 {*South*}
;
64 1 72 70 parsed_2lk3 1
10 *North* 82 59 82 59 parsed_2lk3 1
11 *North* 92 59 92 59 parsed_2lk3 1
12 *North* 102 59 102 59 parsed_2lk3 1
13 *North* 112 59 112 59 parsed_2lk3 1
14 *South* 122 56 122 56 parsed_2lk3 1
15 *North* 132 61 132 61 parsed_2lk3 1
16 *North* 142 61 142 61 parsed_2lk3 1
17 *North* 152 61 152 61 parsed_2lk3 1
18 *Either* 162 58 162 58 parsed_2lk3 1
19 *North* 172 59 172 59 parsed_2lk3 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C8 )
( resid 2 and name H8 ) 2.177 1.2000 1.2000
;
185 1 190 54 parsed_2lk3 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C1' )
( resid 2 and name H1' ) -10.542 1.2000 1.2000
;
192 1 197 57 parsed_2lk3 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name C2' )
( resid 2 and name H2' ) 5.533 1.2000 1.2000
;
199 1 204 55 parsed_2lk3 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C1' )
( resid 3 and name H1' ) -5.767 1.2000 1.2000
;
206 1 211 56 parsed_2lk3 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name C2' )
( resid 3 and name H2' ) 10.015 1.2000 1.2000
;
213 1 218 56 parsed_2lk3 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name C6 )
( resid 4 and name H6 ) 13.993 1.2000 1.2000
;
220 1 225 55 parsed_2lk3 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name C1' )
( resid 4 and name H1' ) 4.441 1.2000 1.2000
;
227 1 232 55 parsed_2lk3 1
8
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name C2' )
( resid 4 and name H2' ) -5.853 1.2000 1.2000
;
234 1 239 56 parsed_2lk3 1
9
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name C8 )
( resid 7 and name H8 ) 19.297 1.2000 1.2000
;
241 1 246 55 parsed_2lk3 1
10
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 8 and name C2 )
( resid 8 and name H2 ) 20.565 1.2000 1.2000
;
248 1 253 55 parsed_2lk3 1
11
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 8 and name C2' )
( resid 8 and name H2' ) 6.779 1.2000 1.2000
;
255 1 260 55 parsed_2lk3 1
12
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C3' )
( resid 9 and name H3' ) 17.206 1.2000 1.2000
;
262 1 267 56 parsed_2lk3 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C6 )
( resid 10 and name H6 ) 14.950 1.2000 1.2000
;
269 1 274 56 parsed_2lk3 1
14
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 10 and name C3' )
( resid 10 and name H3' ) 9.753 1.2000 1.2000
;
276 1 281 56 parsed_2lk3 1
15
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C8 )
( resid 11 and name H8 ) 14.182 1.2000 1.2000
;
283 1 288 56 parsed_2lk3 1
16
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C3' )
( resid 11 and name H3' ) 18.983 1.2000 1.2000
;
290 1 295 57 parsed_2lk3 1
17
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 11 and name C2 )
( resid 11 and name H2 ) 15.301 1.2000 1.2000
;
297 1 302 56 parsed_2lk3 1
18
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C8 )
( resid 17 and name H8 ) 16.014 1.2000 1.2000
;
304 1 309 56 parsed_2lk3 1
19
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C1' )
( resid 17 and name H1' ) -18.791 1.2000 1.2000
;
311 1 316 58 parsed_2lk3 1
20
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C2' )
( resid 17 and name H2' ) -0.309 1.2000 1.2000
;
318 1 323 56 parsed_2lk3 1
21
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name C3' )
( resid 17 and name H3' ) -0.105 1.2000 1.2000
;
325 1 330 56 parsed_2lk3 1
22
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C8 )
( resid 18 and name H8 ) 15.492 1.2000 1.2000
;
332 1 337 56 parsed_2lk3 1
23
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C2 )
( resid 18 and name H2 ) 15.502 1.2000 1.2000
;
339 1 344 56 parsed_2lk3 1
24
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name C3' )
( resid 18 and name H3' ) 3.755 1.2000 1.2000
;
346 1 351 55 parsed_2lk3 1
25
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name C6 )
( resid 19 and name H6 ) 17.143 1.2000 1.2000
;
353 1 358 56 parsed_2lk3 1
26
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C6 )
( resid 20 and name H6 ) 20.649 1.2000 1.2000
;
360 1 365 56 parsed_2lk3 1
27
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C1' )
( resid 20 and name H1' ) -4.287 1.2000 1.2000
;
367 1 372 57 parsed_2lk3 1
28
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C2' )
( resid 20 and name H2' ) -1.146 1.2000 1.2000
;
374 1 379 57 parsed_2lk3 1
29
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name C8 )
( resid 21 and name H8 ) 17.143 1.2000 1.2000
;
381 1 386 56 parsed_2lk3 1
30
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name C1' )
( resid 21 and name H1' ) -0.269 1.2000 1.2000
;
388 1 393 57 parsed_2lk3 1
31
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 21 and name C2 )
( resid 21 and name H2 ) 16.715 1.2000 1.2000
;
395 1 400 56 parsed_2lk3 1
32
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name C8 )
( resid 22 and name H8 ) 8.066 1.2000 1.2000
;
402 1 407 55 parsed_2lk3 1
33
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 23 and name C1' )
( resid 23 and name H1' ) -1.825 1.2000 1.2000
;
409 1 414 57 parsed_2lk3 1
34
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C6 )
( resid 24 and name H6 ) 3.999 1.2000 1.2000
;
416 1 421 55 parsed_2lk3 1
35
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C1' )
( resid 24 and name H1' ) 7.511 1.2000 1.2000
;
423 1 428 56 parsed_2lk3 1
36
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C2' )
( resid 24 and name H2' ) 8.537 1.2000 1.2000
;
430 1 435 56 parsed_2lk3 1
37
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name N1 )
( resid 2 and name H1 ) 2.300 1.2000 1.2000
;
437 1 442 53 parsed_2lk3 1
38
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name N1 )
( resid 7 and name H1 ) 10.460 1.2000 1.2000
;
444 1 449 54 parsed_2lk3 1
39
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name N3 )
( resid 9 and name H3 ) 9.180 1.2000 1.2000
;
451 1 456 54 parsed_2lk3 1
40
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 17 and name N1 )
( resid 17 and name H1 ) 11.620 1.2000 1.2000
;
458 1 463 56 parsed_2lk3 1
41
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 19 and name N3 )
( resid 19 and name H3 ) 10.020 1.2000 1.2000
;
465 1 470 56 parsed_2lk3 1
42
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 22 and name N1 )
( resid 22 and name H1 ) 3.680 1.2000 1.2000
;
472 1 477 55 parsed_2lk3 1
stop_
save_
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