NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29228 |
1anr   |
cing | 2-parsed | STAR | dihedral angle | 85 |
data_1anr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1anr
_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_1anr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1anr
_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 1anr "Master copy" parsed_1anr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1anr
_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 1anr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1anr 1
1 1anr.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 85 parsed_1anr 1
1 1anr.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1anr 1
1 1anr.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_1anr 1
1 1anr.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_1anr 1
1 1anr.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1anr 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1anr
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 17 . C5' . 17 . C4' . 17 . C3' . 17 . O3' parsed_1anr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 18 . C5' . 18 . C4' . 18 . C3' . 18 . O3' parsed_1anr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 19 . C5' . 19 . C4' . 19 . C3' . 19 . O3' parsed_1anr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 20 . C5' . 20 . C4' . 20 . C3' . 20 . O3' parsed_1anr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 21 . C5' . 21 . C4' . 21 . C3' . 21 . O3' parsed_1anr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 22 . C5' . 22 . C4' . 22 . C3' . 22 . O3' parsed_1anr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 26 . C5' . 26 . C4' . 26 . C3' . 26 . O3' parsed_1anr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 27 . C5' . 27 . C4' . 27 . C3' . 27 . O3' parsed_1anr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 28 . C5' . 28 . C4' . 28 . C3' . 28 . O3' parsed_1anr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 29 . C5' . 29 . C4' . 29 . C3' . 29 . O3' parsed_1anr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 37 . C5' . 37 . C4' . 37 . C3' . 37 . O3' parsed_1anr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 38 . C5' . 38 . C4' . 38 . C3' . 38 . O3' parsed_1anr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 39 . C5' . 39 . C4' . 39 . C3' . 39 . O3' parsed_1anr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 40 . C5' . 40 . C4' . 40 . C3' . 40 . O3' parsed_1anr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 41 . C5' . 41 . C4' . 41 . C3' . 41 . O3' parsed_1anr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 42 . C5' . 42 . C4' . 42 . C3' . 42 . O3' parsed_1anr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 43 . C5' . 43 . C4' . 43 . C3' . 43 . O3' parsed_1anr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 44 . C5' . 44 . C4' . 44 . C3' . 44 . O3' parsed_1anr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 45 . C5' . 45 . C4' . 45 . C3' . 45 . O3' parsed_1anr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 18 . P . 18 . O5' . 18 . C5' . 18 . C4' parsed_1anr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_1anr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 250 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_1anr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230 450 . . 18 . O5' . 18 . C5' . 18 . C4' . 18 . C3' parsed_1anr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 19 . P . 19 . O5' . 19 . C5' . 19 . C4' parsed_1anr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_1anr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 19 . O5' . 19 . C5' . 19 . C4' . 19 . C3' parsed_1anr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 19 . O5' . 19 . C5' . 19 . C4' . 19 . C3' parsed_1anr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 20 . P . 20 . O5' . 20 . C5' . 20 . C4' parsed_1anr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_1anr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 20 . O5' . 20 . C5' . 20 . C4' . 20 . C3' parsed_1anr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 20 . O5' . 20 . C5' . 20 . C4' . 20 . C3' parsed_1anr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 20 . C4' . 20 . C3' . 20 . O3' . 21 . P parsed_1anr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 27 . C4' . 27 . C3' . 27 . O3' . 28 . P parsed_1anr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 28 . P . 28 . O5' . 28 . C5' . 28 . C4' parsed_1anr 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 260.0 . . 28 . C4' . 28 . C3' . 28 . O3' . 29 . P parsed_1anr 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 28 . O5' . 28 . C5' . 28 . C4' . 28 . C3' parsed_1anr 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 28 . O5' . 28 . C5' . 28 . C4' . 28 . C3' parsed_1anr 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 29 . P . 29 . O5' . 29 . C5' . 29 . C4' parsed_1anr 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 29 . C4' . 29 . C3' . 29 . O3' . 30 . P parsed_1anr 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 29 . O5' . 29 . C5' . 29 . C4' . 29 . C3' parsed_1anr 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 29 . O5' . 29 . C5' . 29 . C4' . 29 . C3' parsed_1anr 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 30 . P . 30 . O5' . 30 . C5' . 30 . C4' parsed_1anr 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 270.0 . . 30 . O5' . 30 . C5' . 30 . C4' . 30 . C3' parsed_1anr 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 210.0 460.0 . . 30 . O5' . 30 . C5' . 30 . C4' . 30 . C3' parsed_1anr 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 300.0 . . 31 . P . 31 . O5' . 31 . C5' . 31 . C4' parsed_1anr 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.0 290.0 . . 30 . C4' . 30 . C3' . 30 . O3' . 31 . P parsed_1anr 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 270.0 . . 31 . O5' . 31 . C5' . 31 . C4' . 31 . C3' parsed_1anr 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 210.0 460.0 . . 31 . O5' . 31 . C5' . 31 . C4' . 31 . C3' parsed_1anr 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 270.0 . . 33 . O5' . 33 . C5' . 33 . C4' . 33 . C3' parsed_1anr 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 210.0 460.0 . . 33 . O5' . 33 . C5' . 33 . C4' . 33 . C3' parsed_1anr 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 190.0 470.0 . . 34 . O5' . 34 . C5' . 34 . C4' . 34 . C3' parsed_1anr 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 290.0 . . 34 . O5' . 34 . C5' . 34 . C4' . 34 . C3' parsed_1anr 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 480.0 . . 35 . O5' . 35 . C5' . 35 . C4' . 35 . C3' parsed_1anr 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 300.0 . . 35 . O5' . 35 . C5' . 35 . C4' . 35 . C3' parsed_1anr 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 35 . C4' . 35 . C3' . 35 . O3' . 36 . P parsed_1anr 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 250.0 . . 36 . P . 36 . O5' . 36 . C5' . 36 . C4' parsed_1anr 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 36 . O5' . 36 . C5' . 36 . C4' . 36 . C3' parsed_1anr 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 36 . O5' . 36 . C5' . 36 . C4' . 36 . C3' parsed_1anr 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 37 . P . 37 . O5' . 37 . C5' . 37 . C4' parsed_1anr 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 280.0 . . 36 . C4' . 36 . C3' . 36 . O3' . 37 . P parsed_1anr 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . . 37 . C4' . 37 . C3' . 37 . O3' . 38 . P parsed_1anr 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 40 . P . 40 . O5' . 40 . C5' . 40 . C4' parsed_1anr 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . . 39 . C4' . 39 . C3' . 39 . O3' . 40 . P parsed_1anr 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 40 . O5' . 40 . C5' . 40 . C4' . 40 . C3' parsed_1anr 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 40 . O5' . 40 . C5' . 40 . C4' . 40 . C3' parsed_1anr 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 41 . P . 41 . O5' . 41 . C5' . 41 . C4' parsed_1anr 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 41 . O5' . 41 . C5' . 41 . C4' . 41 . C3' parsed_1anr 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 41 . O5' . 41 . C5' . 41 . C4' . 41 . C3' parsed_1anr 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . . 40 . C4' . 40 . C3' . 40 . O3' . 41 . P parsed_1anr 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 42 . P . 42 . O5' . 42 . C5' . 42 . C4' parsed_1anr 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 240.0 . . 41 . C4' . 41 . C3' . 41 . O3' . 42 . P parsed_1anr 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . . 42 . C4' . 42 . C3' . 42 . O3' . 43 . P parsed_1anr 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 42 . O5' . 42 . C5' . 42 . C4' . 42 . C3' parsed_1anr 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 42 . O5' . 42 . C5' . 42 . C4' . 42 . C3' parsed_1anr 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 250.0 . . 43 . P . 43 . O5' . 43 . C5' . 43 . C4' parsed_1anr 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . . 43 . C4' . 43 . C3' . 43 . O3' . 44 . P parsed_1anr 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 43 . O5' . 43 . C5' . 43 . C4' . 43 . C3' parsed_1anr 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180.0 500.0 . . 43 . O5' . 43 . C5' . 43 . C4' . 43 . C3' parsed_1anr 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 250.0 . . 44 . P . 44 . O5' . 44 . C5' . 44 . C4' parsed_1anr 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 44 . O5' . 44 . C5' . 44 . C4' . 44 . C3' parsed_1anr 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 44 . O5' . 44 . C5' . 44 . C4' . 44 . C3' parsed_1anr 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 260.0 . . 44 . C4' . 44 . C3' . 44 . O3' . 45 . P parsed_1anr 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 45 . P . 45 . O5' . 45 . C5' . 45 . C4' parsed_1anr 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 250.0 . . 45 . O5' . 45 . C5' . 45 . C4' . 45 . C3' parsed_1anr 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 230.0 450.0 . . 45 . O5' . 45 . C5' . 45 . C4' . 45 . C3' parsed_1anr 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 delta 4 49 4 49 parsed_1anr 1
2 delta 8 49 8 49 parsed_1anr 1
3 delta 12 49 12 49 parsed_1anr 1
4 delta 16 49 16 49 parsed_1anr 1
5 delta 20 49 20 49 parsed_1anr 1
6 delta 24 49 24 49 parsed_1anr 1
7
;
assign ( resid 23 and name C5')
( resid 23 and name C4')
( resid 23 and name C3')
( resid 23 and name O3')10.0 85.0 25.0 2 {delta}
;
25 1 28 57 parsed_1anr 1
8 delta 32 49 32 49 parsed_1anr 1
9 delta 36 49 36 49 parsed_1anr 1
10 delta 40 49 40 49 parsed_1anr 1
11 delta 44 49 44 49 parsed_1anr 1
12 delta 48 49 48 49 parsed_1anr 1
13 delta 52 49 52 49 parsed_1anr 1
14 delta 56 49 56 49 parsed_1anr 1
15 delta 60 49 60 49 parsed_1anr 1
16 delta 64 49 64 49 parsed_1anr 1
17 delta 68 49 68 49 parsed_1anr 1
18 delta 72 49 72 49 parsed_1anr 1
19 delta 76 49 76 49 parsed_1anr 1
20 delta 80 49 80 49 parsed_1anr 1
21 beta 84 50 84 50 parsed_1anr 1
22 epsilon 88 50 88 50 parsed_1anr 1
23 gamma 92 48 92 48 parsed_1anr 1
24 gamma 96 48 96 48 parsed_1anr 1
25 beta 100 50 100 50 parsed_1anr 1
26 epsilon 104 50 104 50 parsed_1anr 1
27 gamma 108 52 108 52 parsed_1anr 1
28 gamma 112 52 112 52 parsed_1anr 1
29 beta 116 50 116 50 parsed_1anr 1
30 epsilon 120 51 120 51 parsed_1anr 1
31 gamma 124 52 124 52 parsed_1anr 1
32 gamma 128 52 128 52 parsed_1anr 1
33 epsilon 132 50 132 50 parsed_1anr 1
34 epsilon 136 50 136 50 parsed_1anr 1
35 beta 140 54 140 54 parsed_1anr 1
36 epsilon 144 50 144 50 parsed_1anr 1
37 gamma 148 52 148 52 parsed_1anr 1
38 ol 148 59 148 62 parsed_1anr 1
39 gamma 152 52 152 52 parsed_1anr 1
40 ol 152 59 152 62 parsed_1anr 1
41 beta 156 54 156 54 parsed_1anr 1
42 epsilon 160 50 160 50 parsed_1anr 1
43 gamma 164 52 164 52 parsed_1anr 1
44 ol 164 59 164 62 parsed_1anr 1
45 gamma 168 52 168 52 parsed_1anr 1
46 ol 168 59 168 62 parsed_1anr 1
47 beta 172 50 172 50 parsed_1anr 1
48 gamma 176 52 176 52 parsed_1anr 1
49 gamma 180 52 180 52 parsed_1anr 1
50 beta 184 51 184 51 parsed_1anr 1
51 epsilon 188 50 188 50 parsed_1anr 1
52 gamma 192 52 192 52 parsed_1anr 1
53 gamma 196 52 196 52 parsed_1anr 1
54 gamma 200 52 200 52 parsed_1anr 1
55 gamma 204 52 204 52 parsed_1anr 1
56 gamma 208 52 208 52 parsed_1anr 1
57 gamma 212 52 212 52 parsed_1anr 1
58 gamma 216 52 216 52 parsed_1anr 1
59 gamma 220 52 220 52 parsed_1anr 1
60 epsilon 225 50 225 50 parsed_1anr 1
61 beta 229 54 229 54 parsed_1anr 1
62 gamma 233 52 233 52 parsed_1anr 1
63 ol 233 59 233 62 parsed_1anr 1
64 gamma 237 52 237 52 parsed_1anr 1
65 ol 237 59 237 62 parsed_1anr 1
66 beta 241 50 241 50 parsed_1anr 1
67 epsilon 245 50 245 50 parsed_1anr 1
68 epsilon 249 50 249 50 parsed_1anr 1
69 beta 253 50 253 50 parsed_1anr 1
70 epsilon 257 50 257 50 parsed_1anr 1
71 gamma 261 52 261 52 parsed_1anr 1
72 ol 261 59 261 62 parsed_1anr 1
73 gamma 265 52 265 52 parsed_1anr 1
74 ol 265 59 265 62 parsed_1anr 1
75 beta 269 50 269 50 parsed_1anr 1
76 gamma 273 52 273 52 parsed_1anr 1
77 gamma 277 52 277 52 parsed_1anr 1
78 epsilon 281 50 281 50 parsed_1anr 1
79 beta 285 50 285 50 parsed_1anr 1
80 epsilon 289 50 289 50 parsed_1anr 1
81 epsilon 293 51 293 51 parsed_1anr 1
82 gamma 297 52 297 52 parsed_1anr 1
83 ol 297 59 297 62 parsed_1anr 1
84 gamma 301 52 301 52 parsed_1anr 1
85 ol 301 59 301 62 parsed_1anr 1
86 beta 305 54 305 54 parsed_1anr 1
87 epsilon 309 51 309 51 parsed_1anr 1
88 gamma 313 53 313 53 parsed_1anr 1
89 ol 313 60 313 63 parsed_1anr 1
90 gamma 317 52 317 52 parsed_1anr 1
91 ol 317 59 317 62 parsed_1anr 1
92 beta 321 54 321 54 parsed_1anr 1
93 gamma 325 52 325 52 parsed_1anr 1
94 gamma 329 52 329 52 parsed_1anr 1
95 epsilon 333 50 333 50 parsed_1anr 1
96 beta 337 54 337 54 parsed_1anr 1
97 gamma 341 52 341 52 parsed_1anr 1
98 ol 341 59 341 62 parsed_1anr 1
99
;
gi
assign ( resid 18 and name O3' )
( resid 19 and name P )
( resid 19 and name O5' )
( resid 19 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 18 and name C3' )
( resid 18 and name O3' )
( resid 19 and name P )
( resid 19 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 19 and name O3' )
( resid 20 and name P )
( resid 20 and name O5' )
( resid 20 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 19 and name C3' )
( resid 19 and name O3' )
( resid 20 and name P )
( resid 20 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 20 and name O3' )
( resid 21 and name P )
( resid 21 and name O5' )
( resid 21 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 20 and name C3' )
( resid 20 and name O3' )
( resid 21 and name P )
( resid 21 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 21 and name O3' )
( resid 22 and name P )
( resid 22 and name O5' )
( resid 22 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 21 and name C3' )
( resid 21 and name O3' )
( resid 22 and name P )
( resid 22 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 28 and name O3' )
( resid 29 and name P )
( resid 29 and name O5' )
( resid 29 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 28 and name C3' )
( resid 28 and name O3' )
( resid 29 and name P )
( resid 29 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 36 and name O3' )
( resid 37 and name P )
( resid 37 and name O5' )
( resid 37 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 37 and name O3' )
( resid 38 and name P )
( resid 38 and name O5' )
( resid 38 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 37 and name C3' )
( resid 37 and name O3' )
( resid 38 and name P )
( resid 38 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 36 and name C3' )
( resid 36 and name O3' )
( resid 37 and name P )
( resid 37 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 40 and name O3' )
( resid 41 and name P )
( resid 41 and name O5' )
( resid 41 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 40 and name C3' )
( resid 40 and name O3' )
( resid 41 and name P )
( resid 41 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 41 and name O3' )
( resid 42 and name P )
( resid 42 and name O5' )
( resid 42 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 41 and name C3' )
( resid 41 and name O3' )
( resid 42 and name P )
( resid 42 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 42 and name O3' )
( resid 43 and name P )
( resid 43 and name O5' )
( resid 43 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 42 and name C3' )
( resid 42 and name O3' )
( resid 43 and name P )
( resid 43 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 43 and name O3' )
( resid 44 and name P )
( resid 44 and name O5' )
( resid 44 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 43 and name C3' )
( resid 43 and name O3' )
( resid 44 and name P )
( resid 44 and name O5' ) 10.0 0.0 120.0 2 {zeta}
assign ( resid 44 and name O3' )
( resid 45 and name P )
( resid 45 and name O5' )
( resid 45 and name C5' ) 10.0 0.0 120.0 2 {alpha}
assign ( resid 44 and name C3' )
( resid 44 and name O3' )
( resid 45 and name P )
( resid 45 and name O5' ) 10.0 0.0 120.0 2 {zeta
;
345 52 345 52 parsed_1anr 1
stop_
save_
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