NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
519522 |
2ldt   |
17682 | cing | 2-parsed | STAR | dihedral angle | 31 |
data_2ldt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ldt
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2ldt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ldt
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2ldt "Master copy" parsed_2ldt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ldt
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2ldt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 4 protocol "structure calculation" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 147 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_2ldt 1
1 2ldt.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_2ldt 1
1 2ldt.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ldt 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ldt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 7 . c5' . 7 . c4' . 7 . c3' . 7 . o3' parsed_2ldt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 22 . c5' . 22 . c4' . 22 . c3' . 22 . o3' parsed_2ldt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 23 . c5' . 23 . c4' . 23 . c3' . 23 . o3' parsed_2ldt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 26 . c5' . 26 . c4' . 26 . c3' . 26 . o3' parsed_2ldt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 1 . c5' . 1 . c4' . 1 . c3' . 1 . o3' parsed_2ldt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 2 . c5' . 2 . c4' . 2 . c3' . 2 . o3' parsed_2ldt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 3 . c5' . 3 . c4' . 3 . c3' . 3 . o3' parsed_2ldt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 4 . c5' . 4 . c4' . 4 . c3' . 4 . o3' parsed_2ldt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 5 . c5' . 5 . c4' . 5 . c3' . 5 . o3' parsed_2ldt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 6 . c5' . 6 . c4' . 6 . c3' . 6 . o3' parsed_2ldt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 8 . c5' . 8 . c4' . 8 . c3' . 8 . o3' parsed_2ldt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 9 . c5' . 9 . c4' . 9 . c3' . 9 . o3' parsed_2ldt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 10 . c5' . 10 . c4' . 10 . c3' . 10 . o3' parsed_2ldt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 11 . c5' . 11 . c4' . 11 . c3' . 11 . o3' parsed_2ldt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 12 . c5' . 12 . c4' . 12 . c3' . 12 . o3' parsed_2ldt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 13 . c5' . 13 . c4' . 13 . c3' . 13 . o3' parsed_2ldt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 14 . c5' . 14 . c4' . 14 . c3' . 14 . o3' parsed_2ldt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 15 . c5' . 15 . c4' . 15 . c3' . 15 . o3' parsed_2ldt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 16 . c5' . 16 . c4' . 16 . c3' . 16 . o3' parsed_2ldt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 17 . c5' . 17 . c4' . 17 . c3' . 17 . o3' parsed_2ldt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 18 . c5' . 18 . c4' . 18 . c3' . 18 . o3' parsed_2ldt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 19 . c5' . 19 . c4' . 19 . c3' . 19 . o3' parsed_2ldt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 20 . c5' . 20 . c4' . 20 . c3' . 20 . o3' parsed_2ldt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 21 . c5' . 21 . c4' . 21 . c3' . 21 . o3' parsed_2ldt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 25 . c5' . 25 . c4' . 25 . c3' . 25 . o3' parsed_2ldt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 28 . c5' . 28 . c4' . 28 . c3' . 28 . o3' parsed_2ldt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 29 . c5' . 29 . c4' . 29 . c3' . 29 . o3' parsed_2ldt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 30 . c5' . 30 . c4' . 30 . c3' . 30 . o3' parsed_2ldt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 31 . c5' . 31 . c4' . 31 . c3' . 31 . o3' parsed_2ldt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 32 . c5' . 32 . c4' . 32 . c3' . 32 . o3' parsed_2ldt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 33 . c5' . 33 . c4' . 33 . c3' . 33 . o3' parsed_2ldt 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Torsion angle restraints for sugar pucker in the
GZ33 - Theophylline RNA complex
GRZ 09/17/96
Pucker is defined with ribose torsion angles nu1 and nu2.
nu1 = O4'-C1'-C2'-C3'
nu2 = C1'-C2'-C3'-C4'
"N" C3' endo:
nu1 = -20 +/- 10
nu2 = +35 +/- 5
"S" C2' endo:
nu1 = +35 +/- 5
nu2 = -35 +/- 5
See Saenger page 20.
C2' endo nucleotides:
Ade 7
;
1 1 19 8 parsed_2ldt 1
2
;
assign (resid 7 and name O4')
(resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3') 1.0 35.0 5.0 2
assign (resid 7 and name C1')
(resid 7 and name C2')
(resid 7 and name C3')
(resid 7 and name C4') 1.0 -35.0 5.0 2
;
23 1 23 1 parsed_2ldt 1
3 "Cyt 22" 33 1 33 9 parsed_2ldt 1
4
;
assign (resid 22 and name O4')
(resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3') 1.0 35.0 5.0 2
assign (resid 22 and name C1')
(resid 22 and name C2')
(resid 22 and name C3')
(resid 22 and name C4') 1.0 -35.0 5.0 2
;
34 1 34 1 parsed_2ldt 1
5 "Uri 23" 47 1 48 9 parsed_2ldt 1
6
;
assign (resid 23 and name O4')
(resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3') 1.0 35.0 5.0 2
assign (resid 23 and name C1')
(resid 23 and name C2')
(resid 23 and name C3')
(resid 23 and name C4') 1.0 -35.0 5.0 2
;
52 1 52 1 parsed_2ldt 1
7 "Uri 24 let this one float" 62 1 63 28 parsed_2ldt 1
8
;
assign (resid 24 and name O4')
(resid 24 and name C1')
(resid 24 and name C2')
(resid 24 and name C3') 1.0 35.0 5.0 2
assign (resid 24 and name C1')
(resid 24 and name C2')
(resid 24 and name C3')
(resid 24 and name C4') 1.0 -35.0 5.0 2
;
64 1 64 1 parsed_2ldt 1
9
;
assign (resid 24 and name c5') (resid 24 and name c4')
(resid 24 and name c3') (resid 24 and name o3') 1.0 145.0 20.0 2
Gua 26
;
74 1 78 9 parsed_2ldt 1
10
;
assign (resid 26 and name O4')
(resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3') 1.0 35.0 5.0 2
assign (resid 26 and name C1')
(resid 26 and name C2')
(resid 26 and name C3')
(resid 26 and name C4') 1.0 -35.0 5.0 2
;
79 1 79 1 parsed_2ldt 1
11
;
C3' endo nucleotides: ( everybody else )
Gua 1
;
92 1 95 9 parsed_2ldt 1
12
;
assign (resid 1 and name O4')
(resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name C3') 1.0 -20.0 10.0 2
assign (resid 1 and name C1')
(resid 1 and name C2')
(resid 1 and name C3')
(resid 1 and name C4') 1.0 35.0 5.0 2
;
96 1 96 1 parsed_2ldt 1
13 "Gua 2" 108 1 109 9 parsed_2ldt 1
14
;
assign (resid 2 and name O4')
(resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3') 1.0 -20.0 10.0 2
assign (resid 2 and name C1')
(resid 2 and name C2')
(resid 2 and name C3')
(resid 2 and name C4') 1.0 35.0 5.0 2
;
110 1 110 1 parsed_2ldt 1
15 "Cyt 3" 123 1 124 9 parsed_2ldt 1
16
;
assign (resid 3 and name O4')
(resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3') 1.0 -20.0 10.0 2
assign (resid 3 and name C1')
(resid 3 and name C2')
(resid 3 and name C3')
(resid 3 and name C4') 1.0 35.0 5.0 2
;
125 1 125 1 parsed_2ldt 1
17 "Gua 4" 138 1 139 9 parsed_2ldt 1
18
;
assign (resid 4 and name O4')
(resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3') 1.0 -20.0 10.0 2
assign (resid 4 and name C1')
(resid 4 and name C2')
(resid 4 and name C3')
(resid 4 and name C4') 1.0 35.0 5.0 2
;
140 1 140 1 parsed_2ldt 1
19 "Ade 5" 153 1 154 9 parsed_2ldt 1
20
;
assign (resid 5 and name O4')
(resid 5 and name C1')
(resid 5 and name C2')
(resid 5 and name C3') 1.0 -20.0 10.0 2
assign (resid 5 and name C1')
(resid 5 and name C2')
(resid 5 and name C3')
(resid 5 and name C4') 1.0 35.0 5.0 2
;
155 1 155 1 parsed_2ldt 1
21 "Uri 6" 168 1 168 9 parsed_2ldt 1
22
;
assign (resid 6 and name O4')
(resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3') 1.0 -20.0 10.0 2
assign (resid 6 and name C1')
(resid 6 and name C2')
(resid 6 and name C3')
(resid 6 and name C4') 1.0 35.0 5.0 2
;
169 1 169 1 parsed_2ldt 1
23
;
Ade 7 is 2' endo
Cyt 8
;
182 1 185 9 parsed_2ldt 1
24
;
assign (resid 8 and name O4')
(resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3') 1.0 -20.0 10.0 2
assign (resid 8 and name C1')
(resid 8 and name C2')
(resid 8 and name C3')
(resid 8 and name C4') 1.0 35.0 5.0 2
;
186 1 186 1 parsed_2ldt 1
25 "Cyt 9" 199 1 200 9 parsed_2ldt 1
26
;
assign (resid 9 and name O4')
(resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name C3') 1.0 -20.0 10.0 2
assign (resid 9 and name C1')
(resid 9 and name C2')
(resid 9 and name C3')
(resid 9 and name C4') 1.0 35.0 5.0 2
;
201 1 201 1 parsed_2ldt 1
27 "Ade 10" 214 1 215 9 parsed_2ldt 1
28
;
assign (resid 10 and name O4')
(resid 10 and name C1')
(resid 10 and name C2')
(resid 10 and name C3') 1.0 -20.0 10.0 2
assign (resid 10 and name C1')
(resid 10 and name C2')
(resid 10 and name C3')
(resid 10 and name C4') 1.0 35.0 5.0 2
;
216 1 216 1 parsed_2ldt 1
29 "Gua 11" 229 1 230 9 parsed_2ldt 1
30
;
assign (resid 11 and name O4')
(resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name C3') 1.0 -20.0 10.0 2
assign (resid 11 and name C1')
(resid 11 and name C2')
(resid 11 and name C3')
(resid 11 and name C4') 1.0 35.0 5.0 2
;
231 1 231 1 parsed_2ldt 1
31 "Cyt 12" 244 1 245 9 parsed_2ldt 1
32
;
assign (resid 12 and name O4')
(resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name C3') 1.0 -20.0 10.0 2
assign (resid 12 and name C1')
(resid 12 and name C2')
(resid 12 and name C3')
(resid 12 and name C4') 1.0 35.0 5.0 2
;
246 1 246 1 parsed_2ldt 1
33 "Cyt 13" 259 1 259 9 parsed_2ldt 1
34
;
assign (resid 13 and name O4')
(resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name C3') 1.0 -20.0 10.0 2
assign (resid 13 and name C1')
(resid 13 and name C2')
(resid 13 and name C3')
(resid 13 and name C4') 1.0 35.0 5.0 2
;
260 1 260 1 parsed_2ldt 1
35 "Gua 14" 273 1 274 9 parsed_2ldt 1
36
;
assign (resid 14 and name O4')
(resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3') 1.0 -20.0 10.0 2
assign (resid 14 and name C1')
(resid 14 and name C2')
(resid 14 and name C3')
(resid 14 and name C4') 1.0 35.0 5.0 2
;
275 1 275 1 parsed_2ldt 1
37 "Ade 15" 288 1 289 9 parsed_2ldt 1
38
;
assign (resid 15 and name O4')
(resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3') 1.0 -20.0 10.0 2
assign (resid 15 and name C1')
(resid 15 and name C2')
(resid 15 and name C3')
(resid 15 and name C4') 1.0 35.0 5.0 2
;
290 1 290 1 parsed_2ldt 1
39 "Ade 16" 302 1 303 9 parsed_2ldt 1
40
;
assign (resid 16 and name O4')
(resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3') 1.0 -20.0 10.0 2
assign (resid 16 and name C1')
(resid 16 and name C2')
(resid 16 and name C3')
(resid 16 and name C4') 1.0 35.0 5.0 2
;
304 1 304 1 parsed_2ldt 1
41 "Ade 17" 317 1 317 9 parsed_2ldt 1
42
;
assign (resid 17 and name O4')
(resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3') 1.0 -20.0 10.0 2
assign (resid 17 and name C1')
(resid 17 and name C2')
(resid 17 and name C3')
(resid 17 and name C4') 1.0 35.0 5.0 2
;
318 1 318 1 parsed_2ldt 1
43 "Gua 18" 331 1 332 9 parsed_2ldt 1
44
;
assign (resid 18 and name O4')
(resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3') 1.0 -20.0 10.0 2
assign (resid 18 and name C1')
(resid 18 and name C2')
(resid 18 and name C3')
(resid 18 and name C4') 1.0 35.0 5.0 2
;
333 1 333 1 parsed_2ldt 1
45 "Gua 19" 346 1 346 9 parsed_2ldt 1
46
;
assign (resid 19 and name O4')
(resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3') 1.0 -20.0 10.0 2
assign (resid 19 and name C1')
(resid 19 and name C2')
(resid 19 and name C3')
(resid 19 and name C4') 1.0 35.0 5.0 2
;
347 1 347 1 parsed_2ldt 1
47 "Cyt 20" 360 1 361 9 parsed_2ldt 1
48
;
assign (resid 20 and name O4')
(resid 20 and name C1')
(resid 20 and name C2')
(resid 20 and name C3') 1.0 -20.0 10.0 2
assign (resid 20 and name C1')
(resid 20 and name C2')
(resid 20 and name C3')
(resid 20 and name C4') 1.0 35.0 5.0 2
;
362 1 362 1 parsed_2ldt 1
49 "Cyt 21" 375 1 376 9 parsed_2ldt 1
50
;
assign (resid 21 and name O4')
(resid 21 and name C1')
(resid 21 and name C2')
(resid 21 and name C3') 1.0 -20.0 10.0 2
assign (resid 21 and name C1')
(resid 21 and name C2')
(resid 21 and name C3')
(resid 21 and name C4') 1.0 35.0 5.0 2
;
377 1 377 1 parsed_2ldt 1
51
;
Cyt 22 is c2' endo
Uri 23 is c2' endo
Uri 24 is c2' endo
Gua 25
;
390 1 395 9 parsed_2ldt 1
52
;
assign (resid 25 and name O4')
(resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3') 1.0 -20.0 10.0 2
assign (resid 25 and name C1')
(resid 25 and name C2')
(resid 25 and name C3')
(resid 25 and name C4') 1.0 35.0 5.0 2
;
396 1 396 1 parsed_2ldt 1
53
;
Gua 26 is c2' endo
Cyt 27 is c2' endo
but is probably averaged. Left unrestrained
Ade 28
;
408 1 413 9 parsed_2ldt 1
54
;
assign (resid 28 and name O4')
(resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3') 1.0 -20.0 10.0 2
assign (resid 28 and name C1')
(resid 28 and name C2')
(resid 28 and name C3')
(resid 28 and name C4') 1.0 35.0 5.0 2
;
414 1 414 1 parsed_2ldt 1
55 "Gua 29" 427 1 428 9 parsed_2ldt 1
56
;
assign (resid 29 and name O4')
(resid 29 and name C1')
(resid 29 and name C2')
(resid 29 and name C3') 1.0 -20.0 10.0 2
assign (resid 29 and name C1')
(resid 29 and name C2')
(resid 29 and name C3')
(resid 29 and name C4') 1.0 35.0 5.0 2
;
429 1 429 1 parsed_2ldt 1
57 "Cyt 30" 442 1 443 9 parsed_2ldt 1
58
;
assign (resid 30 and name O4')
(resid 30 and name C1')
(resid 30 and name C2')
(resid 30 and name C3') 1.0 -20.0 10.0 2
assign (resid 30 and name C1')
(resid 30 and name C2')
(resid 30 and name C3')
(resid 30 and name C4') 1.0 35.0 5.0 2
;
444 1 444 1 parsed_2ldt 1
59 "Gua 31" 457 1 458 9 parsed_2ldt 1
60
;
assign (resid 31 and name O4')
(resid 31 and name C1')
(resid 31 and name C2')
(resid 31 and name C3') 1.0 -20.0 10.0 2
assign (resid 31 and name C1')
(resid 31 and name C2')
(resid 31 and name C3')
(resid 31 and name C4') 1.0 35.0 5.0 2
;
459 1 459 1 parsed_2ldt 1
61 "Uri 32" 472 1 473 9 parsed_2ldt 1
62
;
assign (resid 32 and name O4')
(resid 32 and name C1')
(resid 32 and name C2')
(resid 32 and name C3') 1.0 -20.0 10.0 2
assign (resid 32 and name C1')
(resid 32 and name C2')
(resid 32 and name C3')
(resid 32 and name C4') 1.0 35.0 5.0 2
;
474 1 474 1 parsed_2ldt 1
63 "Cyt 33" 486 1 487 9 parsed_2ldt 1
64
;
assign (resid 33 and name O4')
(resid 33 and name C1')
(resid 33 and name C2')
(resid 33 and name C3') 1.0 -20.0 10.0 2
assign (resid 33 and name C1')
(resid 33 and name C2')
(resid 33 and name C3')
(resid 33 and name C4') 1.0 35.0 5.0 2
;
488 1 488 1 parsed_2ldt 1
stop_
save_
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