NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
54570 |
3hsf   |
cing | recoord | 2-parsed | STAR | dihedral angle | 65 |
data_3hsf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_3hsf
_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_3hsf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_3hsf
_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 3hsf "Master copy" parsed_3hsf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_3hsf
_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 3hsf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_3hsf 1
1 3hsf.mr . . XPLOR/CNS 2 distance NOE simple 976 parsed_3hsf 1
1 3hsf.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_3hsf 1
1 3hsf.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 65 parsed_3hsf 1
1 3hsf.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_3hsf 1
1 3hsf.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_3hsf 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_3hsf
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_3hsf 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_3hsf 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_3hsf 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_3hsf 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_3hsf 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_3hsf 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_3hsf 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_3hsf 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_3hsf 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_3hsf 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_3hsf 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_3hsf 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_3hsf 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_3hsf 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_3hsf 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_3hsf 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_3hsf 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_3hsf 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_3hsf 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_3hsf 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_3hsf 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_3hsf 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_3hsf 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_3hsf 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_3hsf 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_3hsf 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_3hsf 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_3hsf 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_3hsf 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_3hsf 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_3hsf 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_3hsf 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_3hsf 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_3hsf 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 90 . c . 91 . n . 91 . ca . 91 . c parsed_3hsf 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg parsed_3hsf 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 6 . n . 6 . ca . 6 . cb . 6 . cg1 parsed_3hsf 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_3hsf 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg parsed_3hsf 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 9 . ca . 9 . cb . 9 . cg . 9 . cd1 parsed_3hsf 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_3hsf 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg1 parsed_3hsf 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 22 . ca . 22 . cb . 22 . cg1 . 22 . cd1 parsed_3hsf 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_3hsf 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 26 . n . 26 . ca . 26 . cb . 26 . og1 parsed_3hsf 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 31 . n . 31 . ca . 31 . cb . 31 . cg1 parsed_3hsf 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 31 . ca . 31 . cb . 31 . cg1 . 31 . cd1 parsed_3hsf 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 32 . n . 32 . ca . 32 . cb . 32 . cg1 parsed_3hsf 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg1 parsed_3hsf 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 40 . n . 40 . ca . 40 . cb . 40 . cg1 parsed_3hsf 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 42 . n . 42 . ca . 42 . cb . 42 . cg parsed_3hsf 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg1 parsed_3hsf 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 44 . n . 44 . ca . 44 . cb . 44 . cg parsed_3hsf 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 44 . ca . 44 . cb . 44 . cg . 44 . cd1 parsed_3hsf 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg parsed_3hsf 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_3hsf 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 50 . n . 50 . ca . 50 . cb . 50 . cg parsed_3hsf 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 57 . n . 57 . ca . 57 . cb . 57 . cg1 parsed_3hsf 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 59 . n . 59 . ca . 59 . cb . 59 . cg parsed_3hsf 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 60 . n . 60 . ca . 60 . cb . 60 . cg parsed_3hsf 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 60 . ca . 60 . cb . 60 . cg . 60 . cd1 parsed_3hsf 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 63 . n . 63 . ca . 63 . cb . 63 . cg parsed_3hsf 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 65 . n . 65 . ca . 65 . cb . 65 . cg parsed_3hsf 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 66 . n . 66 . ca . 66 . cb . 66 . cg parsed_3hsf 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 86 . n . 86 . ca . 86 . cb . 86 . cg parsed_3hsf 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 psi constraints
! residue 4 A
;
1 1 2 21 parsed_3hsf 1
2 "! residue 12 M" 6 1 6 22 parsed_3hsf 1
3 "! residue 13 V" 10 1 10 22 parsed_3hsf 1
4 "! residue 14 N" 14 1 14 22 parsed_3hsf 1
5 "! residue 16 K" 18 1 18 22 parsed_3hsf 1
6 "! residue 19 E" 22 1 22 22 parsed_3hsf 1
7 "! residue 21 F" 26 1 26 22 parsed_3hsf 1
8 "! residue 24 W" 31 1 31 22 parsed_3hsf 1
9 "! residue 25 A" 35 1 35 22 parsed_3hsf 1
10 "! residue 31 I" 39 1 39 22 parsed_3hsf 1
11 "! residue 32 V" 43 1 43 22 parsed_3hsf 1
12 "! residue 33 V" 47 1 47 22 parsed_3hsf 1
13 "! residue 35 N" 51 1 51 22 parsed_3hsf 1
14 "! residue 36 R" 55 1 55 22 parsed_3hsf 1
15 "! residue 37 E" 59 1 59 22 parsed_3hsf 1
16 "! residue 39 F" 63 1 63 22 parsed_3hsf 1
17 "! residue 41 Q" 67 1 67 22 parsed_3hsf 1
18 "! residue 43 V" 71 1 71 22 parsed_3hsf 1
19 "! residue 47 Y" 75 1 75 22 parsed_3hsf 1
20 "! residue 48 F" 79 1 79 22 parsed_3hsf 1
21 "! residue 51 S" 83 1 83 22 parsed_3hsf 1
22 "! residue 53 F" 87 1 87 22 parsed_3hsf 1
23 "! residue A 54" 91 1 91 22 parsed_3hsf 1
24 "! residue F 56" 95 1 95 22 parsed_3hsf 1
25 "! residue 57 V" 99 1 99 22 parsed_3hsf 1
26 "! residue 58 R" 103 1 103 22 parsed_3hsf 1
27 "! residue 59 Q" 107 1 107 22 parsed_3hsf 1
28 "! residue 60 L" 111 1 111 22 parsed_3hsf 1
29 "! residue 62 M" 115 1 115 22 parsed_3hsf 1
30 "! residue 63 Y" 119 1 119 22 parsed_3hsf 1
31 "! residue 66 H" 123 1 123 22 parsed_3hsf 1
32 "! residue 73 S" 127 1 127 22 parsed_3hsf 1
33 "! residue 77 L" 131 1 131 22 parsed_3hsf 1
34 "! residue 84 W" 135 1 135 22 parsed_3hsf 1
35 "! residue 91 H" 139 1 139 22 parsed_3hsf 1
36
;
!
!
! Chi 1 restraints
! residue 5 F
;
142 1 145 21 parsed_3hsf 1
37 "! residue 6 V" 150 1 150 21 parsed_3hsf 1
38 "! residue 7 N" 155 1 155 21 parsed_3hsf 1
39 "! residue 9 L" 160 1 160 22 parsed_3hsf 1
40 "! resid 9 L chi-2" 165 1 165 26 parsed_3hsf 1
41 "residue 21 F" 171 1 171 22 parsed_3hsf 1
42 "! residue 22 I" 177 1 177 22 parsed_3hsf 1
43 "! resid 22 I chi_2" 182 1 182 27 parsed_3hsf 1
44 "! residue 24 W" 188 1 188 21 parsed_3hsf 1
45 "! residue 26 T" 194 1 194 22 parsed_3hsf 1
46 "! residue 31" 200 1 200 21 parsed_3hsf 1
47 "! residue 32 V" 210 1 210 22 parsed_3hsf 1
48 "! residue 33 V" 216 1 216 22 parsed_3hsf 1
49 "! residue 40 V" 222 1 222 22 parsed_3hsf 1
50 "! residue 42 E" 228 1 228 22 parsed_3hsf 1
51 "assigned w/ overlap problems" 235 38 235 69 parsed_3hsf 1
52 "! residue 43 V" 234 1 234 22 parsed_3hsf 1
53 "! residue 44 L" 240 1 240 23 parsed_3hsf 1
54 "! residue 44 L (chi-2)" 246 1 246 32 parsed_3hsf 1
55 "! resid 47 Y" 252 1 252 20 parsed_3hsf 1
56 "! resid 48 F" 258 1 258 20 parsed_3hsf 1
57 "! resid 50 H" 264 1 264 20 parsed_3hsf 1
58 "! residue 57 V" 270 1 270 22 parsed_3hsf 1
59 "! resid 59 Q" 276 1 276 19 parsed_3hsf 1
60 "resid 60 L" 281 1 281 20 parsed_3hsf 1
61 "resid 60 L (chi 2)" 287 1 287 32 parsed_3hsf 1
62 "! resid 63 Y" 293 1 293 20 parsed_3hsf 1
63 "! resid 65 W" 299 1 299 20 parsed_3hsf 1
64 "! resid 66 H" 305 1 305 20 parsed_3hsf 1
65 "! resid 86 F" 311 1 311 20 parsed_3hsf 1
stop_
save_
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