NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
48782 |
2job   |
15622 | cing | 2-parsed | STAR | dihedral angle | 88 |
data_2job_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2job
_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_2job 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2job
_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 2job "Master copy" parsed_2job
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2job
_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 2job.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2job 1
1 2job.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 88 parsed_2job 1
1 2job.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2job 1
1 2job.mr . . STAR 4 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2job 1
1 2job.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2job 1
1 2job.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2job 1
1 2job.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2job 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2job
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2job 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2job 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2job 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2job 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2job 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2job 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2job 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2job 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2job 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2job 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2job 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2job 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2job 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_2job 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_2job 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2job 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2job 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_2job 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_2job 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_2job 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2job 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2job 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_2job 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_2job 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_2job 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_2job 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 71 . c . 71 . n . 72 . ca . 72 . c parsed_2job 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -17.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2job 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_2job 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_2job 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_2job 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 96 . c . 97 . n . 97 . ca . 97 . c parsed_2job 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_2job 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 98 . c . 99 . n . 99 . ca . 99 . c parsed_2job 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_2job 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 100 . c . 101 . n . 101 . ca . 101 . c parsed_2job 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2job 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2job 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2job 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2job 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2job 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2job 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2job 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2job 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2job 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2job 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2job 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2job 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2job 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2job 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2job 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2job 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2job 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2job 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2job 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2job 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -110.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2job 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -120.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2job 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -120.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2job 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -35.0 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_2job 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2job 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -100.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2job 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -27.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2job 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2job 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -100.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2job 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg1 parsed_2job 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg1 parsed_2job 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 . n . 19 . ca . 19 . cb . 19 . cg1 parsed_2job 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 73 . n . 73 . ca . 73 . cb . 73 . cg2 parsed_2job 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg2 parsed_2job 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_2job 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_2job 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg2 parsed_2job 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 59 . n . 59 . ca . 59 . cb . 59 . cg2 parsed_2job 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 90 . n . 90 . ca . 90 . cb . 90 . cg parsed_2job 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 90 . ca . 90 . cb . 90 . cg . 90 . cd1 parsed_2job 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_2job 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 29 . ca . 29 . cb . 29 . cg . 29 . cd1 parsed_2job 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -140.0 . . 30 . n . 30 . ca . 30 . cb . 30 . cg parsed_2job 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.0 -140.0 . . 30 . ca . 30 . cb . 30 . cg . 30 . cd2 parsed_2job 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_2job 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 34 . cb . 34 . sg . 55 . sg . 55 . cb parsed_2job 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 54 . n . 54 . ca . 54 . cb . 54 . cg parsed_2job 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 54 . ca . 54 . cb . 54 . cg . 54 . cd1 parsed_2job 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 35 . n . 35 . ca . 35 . cb . 35 . cg parsed_2job 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -220.0 -140.0 . . 99 . n . 99 . ca . 99 . cb . 99 . cg parsed_2job 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 99 . ca . 99 . cb . 99 . cg . 99 . cd1 parsed_2job 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 17 . n . 17 . ca . 17 . cb . 17 . cg parsed_2job 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
;
!
! Phi restraints: minimum deviation = 30 degrees
! 7
;
2 1 4 7 parsed_2job 1
2 "! 8" 7 1 7 7 parsed_2job 1
3 "! 9" 10 1 10 7 parsed_2job 1
4 "! 10" 13 1 13 8 parsed_2job 1
5 "! 11" 16 1 16 8 parsed_2job 1
6 "! 12" 19 1 19 8 parsed_2job 1
7 "! 13" 22 1 22 8 parsed_2job 1
8 "! 14" 25 1 25 8 parsed_2job 1
9 "! 15" 28 1 28 8 parsed_2job 1
10 "! 16" 31 1 31 8 parsed_2job 1
11 "! 17" 34 1 34 8 parsed_2job 1
12 "! 18" 37 1 37 8 parsed_2job 1
13 "! 74" 40 1 40 8 parsed_2job 1
14 "! 75" 43 1 43 8 parsed_2job 1
15 "! 76" 46 1 46 8 parsed_2job 1
16 "! 77" 49 1 49 8 parsed_2job 1
17 "! 78" 52 1 52 8 parsed_2job 1
18 "! 79" 55 1 55 8 parsed_2job 1
19 "! 80" 58 1 58 8 parsed_2job 1
20 "! 81" 61 1 61 8 parsed_2job 1
21 "! 82" 64 1 64 8 parsed_2job 1
22 "! 83" 67 1 67 8 parsed_2job 1
23 "! 84" 70 1 70 8 parsed_2job 1
24 "! 85" 73 1 73 8 parsed_2job 1
25 "! 86" 76 1 76 8 parsed_2job 1
26 "! 87" 79 1 79 8 parsed_2job 1
27 "! 72" 82 1 82 8 parsed_2job 1
28 "! 73" 85 1 85 8 parsed_2job 1
29 "! 94" 88 1 88 8 parsed_2job 1
30 "! 95" 91 1 91 8 parsed_2job 1
31 "! 96" 94 1 94 8 parsed_2job 1
32 "! 97" 97 1 97 8 parsed_2job 1
33 "! 98" 100 1 100 8 parsed_2job 1
34 "! 99" 103 1 103 8 parsed_2job 1
35 "! 100" 106 1 106 9 parsed_2job 1
36 "! 101" 109 1 109 9 parsed_2job 1
37 "! 34" 112 1 112 8 parsed_2job 1
38 "! 35" 115 1 115 8 parsed_2job 1
39 "! 36" 118 1 118 8 parsed_2job 1
40 "! 37" 121 1 121 8 parsed_2job 1
41 "! 38" 124 1 124 8 parsed_2job 1
42 "! 39" 127 1 127 8 parsed_2job 1
43 "! 41" 130 1 130 8 parsed_2job 1
44 "! 42" 133 1 133 8 parsed_2job 1
45 "! 47" 136 1 136 8 parsed_2job 1
46 "! 48" 139 1 139 8 parsed_2job 1
47 "! 49" 142 1 142 8 parsed_2job 1
48 "! 50" 145 1 145 8 parsed_2job 1
49 "! 51" 148 1 148 8 parsed_2job 1
50 "! 52" 151 1 151 8 parsed_2job 1
51 "! 53" 154 1 154 8 parsed_2job 1
52 "! 54" 157 1 157 8 parsed_2job 1
53 "! 55" 160 1 160 8 parsed_2job 1
54 "! 62" 163 1 163 8 parsed_2job 1
55 "! 63" 166 1 166 8 parsed_2job 1
56 "! 64" 169 1 169 8 parsed_2job 1
57 "! 65" 172 1 172 8 parsed_2job 1
58 "! 60" 175 1 175 8 parsed_2job 1
59 "! 61" 178 1 178 8 parsed_2job 1
60 "! 88" 181 1 181 8 parsed_2job 1
61 "! 23" 184 1 184 8 parsed_2job 1
62 "! 26" 187 1 187 8 parsed_2job 1
63 "! 19" 190 1 190 8 parsed_2job 1
64 "! 20" 193 1 193 8 parsed_2job 1
65 "! 21" 196 1 196 8 parsed_2job 1
66 "! 10" 199 1 199 8 parsed_2job 1
67 "! 14" 202 1 202 8 parsed_2job 1
68 "! 19" 205 1 205 8 parsed_2job 1
69 "! 73" 208 1 208 8 parsed_2job 1
70 "! 18" 211 1 211 8 parsed_2job 1
71 "! 21" 214 1 214 8 parsed_2job 1
72 "! 22" 217 1 217 8 parsed_2job 1
73 "! T27" 220 1 220 9 parsed_2job 1
74 "! T59" 223 1 223 9 parsed_2job 1
75 "! l90" 226 1 226 9 parsed_2job 1
76 "! l90" 229 1 229 9 parsed_2job 1
77 "! l29" 232 1 232 9 parsed_2job 1
78 "! l29" 235 1 235 9 parsed_2job 1
79 "! l30" 238 1 238 9 parsed_2job 1
80 "! l30" 241 1 241 9 parsed_2job 1
81 "! 48" 244 1 244 8 parsed_2job 1
82 "! 34-55" 247 1 247 11 parsed_2job 1
83 "! 54" 250 1 250 8 parsed_2job 1
84 "! 54" 253 1 253 8 parsed_2job 1
85 "! 35" 256 1 256 8 parsed_2job 1
86 "! 99" 259 1 259 8 parsed_2job 1
87 "! 99" 262 1 262 8 parsed_2job 1
88 "! 17" 265 1 265 8 parsed_2job 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 "REStraints DIHEdral reset" 1 1 1 25 parsed_2job 1
2 end 268 1 268 3 parsed_2job 1
stop_
save_
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