NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
602707 |
2nbe   |
25973 | cing | 2-parsed | STAR | dihedral angle | 98 |
data_2nbe_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nbe
_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_2nbe 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nbe
_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 2nbe "Master copy" parsed_2nbe
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nbe
_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 2nbe.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nbe 1
1 2nbe.mr . . XPLOR/CNS 2 distance NOE ambi 1748 parsed_2nbe 1
1 2nbe.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 98 parsed_2nbe 1
1 2nbe.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nbe 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nbe
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.02 -126.46 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2nbe 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.97 173.61 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2nbe 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.18 -107.08 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2nbe 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.49 160.25 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2nbe 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.88 -104.88 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2nbe 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.61 131.89 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2nbe 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.99 -98.27 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2nbe 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.13 147.15 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2nbe 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.42 -76.22 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2nbe 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151.71 188.61 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2nbe 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.40 -59.28 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2nbe 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.31 -6.01 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2nbe 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.68 -94.84 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2nbe 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.11 19.95 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2nbe 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.38 -82.48 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2nbe 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.61 134.51 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2nbe 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.26 -106.54 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2nbe 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.28 155.40 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2nbe 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.08 -105.42 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2nbe 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.08 141.48 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2nbe 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.12 -114.02 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2nbe 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.43 147.99 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2nbe 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.38 -103.24 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2nbe 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.40 157.50 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2nbe 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.97 -123.69 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2nbe 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157.89 173.71 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2nbe 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.19 -87.31 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2nbe 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.72 169.96 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2nbe 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.30 -57.94 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2nbe 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.16 -27.06 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2nbe 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.27 -59.35 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2nbe 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.76 -32.08 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2nbe 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.53 -60.45 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2nbe 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.76 -29.86 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2nbe 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.78 -61.28 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2nbe 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.29 -34.95 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2nbe 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.79 -59.39 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2nbe 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.96 -31.98 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2nbe 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.99 -60.47 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2nbe 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.46 -37.50 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2nbe 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.68 -61.44 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2nbe 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.50 -34.10 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2nbe 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.79 -57.67 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2nbe 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.18 -28.24 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2nbe 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.26 -58.66 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2nbe 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.18 -15.50 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2nbe 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.07 -65.15 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2nbe 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.65 -12.07 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2nbe 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.96 -86.66 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2nbe 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.12 17.16 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2nbe 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65.52 89.32 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2nbe 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.15 28.81 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2nbe 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.21 -64.71 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2nbe 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.25 -9.81 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2nbe 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.09 -84.35 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2nbe 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.23 18.35 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2nbe 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.90 -99.78 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2nbe 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.77 145.33 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2nbe 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.08 -93.20 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2nbe 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.44 149.12 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2nbe 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.16 -113.90 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2nbe 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.48 158.50 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2nbe 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.96 -76.74 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2nbe 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.58 186.82 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2nbe 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.28 -47.90 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2nbe 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.35 -16.51 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2nbe 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.48 -80.36 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2nbe 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.07 163.07 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2nbe 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.54 -78.14 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2nbe 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.56 179.66 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2nbe 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.17 -58.13 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2nbe 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.17 -35.23 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2nbe 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.56 -63.78 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2nbe 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.31 -30.37 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2nbe 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.11 -60.81 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2nbe 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.25 -12.99 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2nbe 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.95 -85.55 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2nbe 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -0.33 17.39 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2nbe 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49.27 77.23 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2nbe 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18.29 50.51 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2nbe 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.64 -97.02 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2nbe 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.67 177.73 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2nbe 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.61 -86.85 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2nbe 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.53 149.67 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_2nbe 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.71 -94.41 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_2nbe 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.40 145.78 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_2nbe 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.58 -98.66 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2nbe 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.14 144.00 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2nbe 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.21 -91.33 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2nbe 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.19 136.13 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2nbe 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.99 -106.25 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2nbe 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.21 146.17 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2nbe 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.29 -98.75 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2nbe 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.97 143.51 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2nbe 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.82 -67.90 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2nbe 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.29 145.83 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2nbe 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.43 -63.05 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2nbe 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.94 168.62 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_2nbe 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
;
## DIHEs
! 1 Phi
! 2 Phi
! 3 Phi
;
1 1 4 9 parsed_2nbe 1
2 "! 3 Psi" 7 1 7 13 parsed_2nbe 1
3 "! 4 Phi" 10 1 10 9 parsed_2nbe 1
4 "! 4 Psi" 13 1 13 13 parsed_2nbe 1
5 "! 5 Phi" 16 1 16 9 parsed_2nbe 1
6 "! 5 Psi" 19 1 19 13 parsed_2nbe 1
7 "! 6 Phi" 22 1 22 9 parsed_2nbe 1
8 "! 6 Psi" 25 1 25 13 parsed_2nbe 1
9 "! 7 Phi" 28 1 28 9 parsed_2nbe 1
10 "! 7 Psi" 31 1 31 13 parsed_2nbe 1
11 "! 8 Phi" 34 1 34 9 parsed_2nbe 1
12 "! 8 Psi" 37 1 37 13 parsed_2nbe 1
13 "! 9 Phi" 40 1 40 9 parsed_2nbe 1
14 "! 9 Psi" 43 1 43 13 parsed_2nbe 1
15
;
! 10 Phi
! 11 Phi
! 12 Phi
;
46 1 48 10 parsed_2nbe 1
16 "! 12 Psi" 51 1 51 14 parsed_2nbe 1
17 "! 13 Phi" 54 1 54 10 parsed_2nbe 1
18 "! 13 Psi" 57 1 57 14 parsed_2nbe 1
19 "! 14 Phi" 60 1 60 10 parsed_2nbe 1
20 "! 14 Psi" 63 1 63 14 parsed_2nbe 1
21 "! 15 Phi" 66 1 66 10 parsed_2nbe 1
22 "! 15 Psi" 69 1 69 14 parsed_2nbe 1
23 "! 16 Phi" 72 1 72 10 parsed_2nbe 1
24 "! 16 Psi" 75 1 75 14 parsed_2nbe 1
25 "! 17 Phi" 78 1 78 10 parsed_2nbe 1
26 "! 17 Psi" 81 1 81 14 parsed_2nbe 1
27
;
! 18 Phi
! 19 Phi
! 20 Phi
! 21 Phi
! 22 Phi
;
84 1 88 10 parsed_2nbe 1
28 "! 22 Psi" 91 1 91 14 parsed_2nbe 1
29
;
! 23 Phi
! 24 Phi
;
94 1 95 10 parsed_2nbe 1
30 "! 24 Psi" 98 1 98 14 parsed_2nbe 1
31 "! 25 Phi" 101 1 101 10 parsed_2nbe 1
32 "! 25 Psi" 104 1 104 14 parsed_2nbe 1
33 "! 26 Phi" 107 1 107 10 parsed_2nbe 1
34 "! 26 Psi" 110 1 110 14 parsed_2nbe 1
35 "! 27 Phi" 113 1 113 10 parsed_2nbe 1
36 "! 27 Psi" 116 1 116 14 parsed_2nbe 1
37 "! 28 Phi" 119 1 119 10 parsed_2nbe 1
38 "! 28 Psi" 122 1 122 14 parsed_2nbe 1
39 "! 29 Phi" 125 1 125 10 parsed_2nbe 1
40 "! 29 Psi" 128 1 128 14 parsed_2nbe 1
41 "! 30 Phi" 131 1 131 10 parsed_2nbe 1
42 "! 30 Psi" 134 1 134 14 parsed_2nbe 1
43 "! 31 Phi" 137 1 137 10 parsed_2nbe 1
44 "! 31 Psi" 140 1 140 14 parsed_2nbe 1
45 "! 32 Phi" 143 1 143 10 parsed_2nbe 1
46 "! 32 Psi" 146 1 146 14 parsed_2nbe 1
47 "! 33 Phi" 149 1 149 10 parsed_2nbe 1
48 "! 33 Psi" 152 1 152 14 parsed_2nbe 1
49 "! 34 Phi" 155 1 155 10 parsed_2nbe 1
50 "! 34 Psi" 158 1 158 14 parsed_2nbe 1
51 "! 35 Phi" 161 1 161 10 parsed_2nbe 1
52 "! 35 Psi" 164 1 164 14 parsed_2nbe 1
53
;
! 36 Phi
! 37 Phi
! 38 Phi
! 39 Phi
;
167 1 170 10 parsed_2nbe 1
54 "! 39 Psi" 173 1 173 14 parsed_2nbe 1
55 "! 40 Phi" 176 1 176 10 parsed_2nbe 1
56 "! 40 Psi" 179 1 179 14 parsed_2nbe 1
57
;
! 41 Phi
! 42 Phi
;
182 1 183 10 parsed_2nbe 1
58 "! 42 Psi" 186 1 186 14 parsed_2nbe 1
59 "! 43 Phi" 189 1 189 10 parsed_2nbe 1
60 "! 43 Psi" 192 1 192 14 parsed_2nbe 1
61 "! 44 Phi" 195 1 195 10 parsed_2nbe 1
62 "! 44 Psi" 198 1 198 14 parsed_2nbe 1
63
;
! 45 Phi
! 46 Phi
! 47 Phi
! 48 Phi
! 49 Phi
! 50 Phi
! 51 Phi
;
201 1 207 10 parsed_2nbe 1
64 "! 51 Psi" 210 1 210 14 parsed_2nbe 1
65 "! 52 Phi" 213 1 213 10 parsed_2nbe 1
66 "! 52 Psi" 216 1 216 14 parsed_2nbe 1
67
;
! 53 Phi
! 54 Phi
;
219 1 220 10 parsed_2nbe 1
68 "! 54 Psi" 223 1 223 14 parsed_2nbe 1
69 "! 55 Phi" 226 1 226 10 parsed_2nbe 1
70 "! 55 Psi" 229 1 229 14 parsed_2nbe 1
71 "! 56 Phi" 232 1 232 10 parsed_2nbe 1
72 "! 56 Psi" 235 1 235 14 parsed_2nbe 1
73 "! 57 Phi" 238 1 238 10 parsed_2nbe 1
74 "! 57 Psi" 241 1 241 14 parsed_2nbe 1
75 "! 58 Phi" 244 1 244 10 parsed_2nbe 1
76 "! 58 Psi" 247 1 247 14 parsed_2nbe 1
77 "! 59 Phi" 250 1 250 10 parsed_2nbe 1
78 "! 59 Psi" 253 1 253 14 parsed_2nbe 1
79 "! 60 Phi" 256 1 256 10 parsed_2nbe 1
80 "! 60 Psi" 259 1 259 14 parsed_2nbe 1
81
;
! 61 Phi
! 62 Phi
;
262 1 263 10 parsed_2nbe 1
82 "! 62 Psi" 266 1 266 14 parsed_2nbe 1
83
;
! 63 Phi
! 64 Phi
! 65 Phi
! 66 Phi
;
269 1 272 10 parsed_2nbe 1
84 "! 66 Psi" 275 1 275 14 parsed_2nbe 1
85 "! 67 Phi" 278 1 278 10 parsed_2nbe 1
86 "! 67 Psi" 281 1 281 14 parsed_2nbe 1
87 "! 68 Phi" 284 1 284 10 parsed_2nbe 1
88 "! 68 Psi" 287 1 287 14 parsed_2nbe 1
89 "! 69 Phi" 290 1 290 10 parsed_2nbe 1
90 "! 69 Psi" 293 1 293 14 parsed_2nbe 1
91 "! 70 Phi" 296 1 296 10 parsed_2nbe 1
92 "! 70 Psi" 299 1 299 14 parsed_2nbe 1
93 "! 71 Phi" 302 1 302 10 parsed_2nbe 1
94 "! 71 Psi" 305 1 305 14 parsed_2nbe 1
95 "! 72 Phi" 308 1 308 10 parsed_2nbe 1
96 "! 72 Psi" 311 1 311 14 parsed_2nbe 1
97
;
! 73 Phi
! 74 Phi
;
314 1 315 10 parsed_2nbe 1
98 "! 74 Psi" 318 1 318 14 parsed_2nbe 1
99
;
! 75 Phi
! 76 Phi
;
321 1 322 10 parsed_2nbe 1
stop_
save_
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