NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
582321 |
2mlb   |
19811 | cing | 2-parsed | STAR | dihedral angle | 132 |
data_2mlb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mlb
_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_2mlb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mlb
_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 2mlb "Master copy" parsed_2mlb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mlb
_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 2mlb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mlb 1
1 2mlb.mr . . XPLOR/CNS 2 distance NOE simple 1475 parsed_2mlb 1
1 2mlb.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2mlb 1
1 2mlb.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 132 parsed_2mlb 1
1 2mlb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mlb 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mlb
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.6 -54.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2mlb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.4 -108.2 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2mlb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.4 -112.2 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2mlb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.2 -95.8 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2mlb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -81.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2mlb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.8 -62.6 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2mlb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.3 -30.9 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2mlb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.7 -34.3 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2mlb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.1 -67.5 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2mlb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.5 101.5 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2mlb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.3 -83.9 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2mlb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.8 -100.8 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2mlb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -79.8 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2mlb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.4 -86.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2mlb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -98.4 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2mlb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.7 -45.1 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2mlb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.8 -69.4 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2mlb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -35.8 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2mlb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -59.2 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2mlb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.4 -51.4 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2mlb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.3 -51.1 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2mlb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -52.6 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2mlb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.9 -55.9 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2mlb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.5 -51.5 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2mlb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.2 -50.2 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2mlb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.8 -56.8 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2mlb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.9 -53.9 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2mlb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.2 -49.2 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2mlb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.8 -53.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2mlb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.2 -48.6 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2mlb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.8 -70.4 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2mlb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41.6 97.4 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2mlb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.3 -83.1 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2mlb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.6 -32.6 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2mlb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.4 -37.4 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2mlb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -54.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2mlb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.4 -68.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2mlb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.3 -74.9 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2mlb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -88.6 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2mlb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.8 -104.8 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2mlb 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.2 -117.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2mlb 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.4 69.4 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2mlb 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.3 93.3 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2mlb 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.6 -67.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2mlb 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -44.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2mlb 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.1 -55.3 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2mlb 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.6 -34.8 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2mlb 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -46.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2mlb 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.9 -58.1 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2mlb 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.5 -43.9 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2mlb 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -56.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2mlb 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.7 -52.7 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2mlb 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -41.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2mlb 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -48.2 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2mlb 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.2 -63.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2mlb 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.5 111.7 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2mlb 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.7 -43.9 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2mlb 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.3 -45.3 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2mlb 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.8 -45.4 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2mlb 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.6 -81.2 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_2mlb 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.5 -85.9 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2mlb 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.7 -80.1 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2mlb 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.4 -74.6 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2mlb 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.7 -87.1 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2mlb 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.3 -64.9 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2mlb 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.6 -45.6 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2mlb 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -1.4 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2mlb 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.6 174.8 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2mlb 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.4 178.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2mlb 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.5 157.1 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2mlb 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.2 150.6 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2mlb 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.1 155.7 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2mlb 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.8 196.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2mlb 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 0.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2mlb 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.2 23.2 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2mlb 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.0 6.8 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2mlb 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.7 161.3 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2mlb 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.5 149.7 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2mlb 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.8 141.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2mlb 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.6 175.8 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2mlb 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.9 184.1 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2mlb 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.8 -4.6 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2mlb 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23.8 17.2 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2mlb 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 183.7 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2mlb 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.0 180.6 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2mlb 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.6 -28.6 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2mlb 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -32.2 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2mlb 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 -32.1 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2mlb 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.7 -31.7 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2mlb 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.3 -22.7 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2mlb 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.6 -25.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2mlb 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.2 -33.2 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2mlb 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -32.8 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2mlb 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.6 -28.6 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2mlb 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.8 -33.8 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2mlb 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -9.7 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2mlb 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.9 8.3 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2mlb 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -7.8 69.4 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2mlb 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.3 177.5 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2mlb 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.9 184.7 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2mlb 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.8 -17.4 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2mlb 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -7.8 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2mlb 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.3 27.9 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2mlb 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.1 156.5 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2mlb 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 170.4 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2mlb 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.8 165.4 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2mlb 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.4 140.0 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2mlb 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.1 56.1 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2mlb 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.4 23.4 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2mlb 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.4 165.8 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2mlb 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.6 187.2 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2mlb 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.3 135.7 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2mlb 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.3 152.1 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2mlb 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.4 -22.2 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2mlb 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -29.0 11.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2mlb 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 184.8 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2mlb 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.3 176.5 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2mlb 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.5 -28.5 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2mlb 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.6 -7.0 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2mlb 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -13.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2mlb 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.9 17.3 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2mlb 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.7 45.3 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2mlb 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.6 183.8 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_2mlb 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.9 160.5 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2mlb 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.5 177.5 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_2mlb 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.2 170.0 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_2mlb 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.2 173.4 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2mlb 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 150.6 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2mlb 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 160.8 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2mlb 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.8 166.4 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2mlb 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 154.0 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2mlb 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.6 155.6 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_2mlb 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
;
dihedral angle restrains
! D2 phi
;
1 1 2 10 parsed_2mlb 1
2 "! T3 phi" 5 1 5 10 parsed_2mlb 1
3 "! I4 phi" 8 1 8 10 parsed_2mlb 1
4 "! N5 phi" 11 1 11 10 parsed_2mlb 1
5 "! I6 phi" 14 1 14 10 parsed_2mlb 1
6 "! T7 phi" 17 1 17 10 parsed_2mlb 1
7 "! L8 phi" 20 1 20 10 parsed_2mlb 1
8 "! P9 phi" 23 1 23 10 parsed_2mlb 1
9 "! D10 phi" 26 1 26 11 parsed_2mlb 1
10 "! G11 phi" 29 1 29 11 parsed_2mlb 1
11 "! T13 phi" 32 1 32 11 parsed_2mlb 1
12 "! L14 phi" 35 1 35 11 parsed_2mlb 1
13 "! T15 phi" 38 1 38 11 parsed_2mlb 1
14 "! L16 phi" 41 1 41 11 parsed_2mlb 1
15 "! V18 phi" 44 1 44 11 parsed_2mlb 1
16 "! P20 phi" 47 1 47 11 parsed_2mlb 1
17 "! E21 phi" 50 1 50 11 parsed_2mlb 1
18 "! F22 phi" 53 1 53 11 parsed_2mlb 1
19 "! T23 phi" 56 1 56 11 parsed_2mlb 1
20 "! V24 phi" 59 1 59 11 parsed_2mlb 1
21 "! K25 phi" 62 1 62 11 parsed_2mlb 1
22 "! E26 phi" 65 1 65 11 parsed_2mlb 1
23 "! L27 phi" 68 1 68 11 parsed_2mlb 1
24 "! A28 phi" 71 1 71 11 parsed_2mlb 1
25 "! E29 phi" 74 1 74 11 parsed_2mlb 1
26 "! E30 phi" 77 1 77 11 parsed_2mlb 1
27 "! I31 phi" 80 1 80 11 parsed_2mlb 1
28 "! A32 phi" 83 1 83 11 parsed_2mlb 1
29 "! R33 phi" 86 1 86 11 parsed_2mlb 1
30 "! R34 phi" 89 1 89 11 parsed_2mlb 1
31 "! L35 phi" 92 1 92 11 parsed_2mlb 1
32 "! G36 phi" 95 1 95 11 parsed_2mlb 1
33 "! L37 phi" 98 1 98 11 parsed_2mlb 1
34 "! S38 phi" 101 1 101 11 parsed_2mlb 1
35 "! P39 phi" 104 1 104 11 parsed_2mlb 1
36 "! E40 phi" 107 1 107 11 parsed_2mlb 1
37 "! D41 phi" 110 1 110 11 parsed_2mlb 1
38 "! K43 phi" 113 1 113 11 parsed_2mlb 1
39 "! L44 phi" 116 1 116 11 parsed_2mlb 1
40 "! T45 phi" 119 1 119 11 parsed_2mlb 1
41 "! H46 phi" 122 1 122 11 parsed_2mlb 1
42 "! N47 phi" 125 1 125 11 parsed_2mlb 1
43 "! G48 phi" 128 1 128 11 parsed_2mlb 1
44 "! K49 phi" 131 1 131 11 parsed_2mlb 1
45 "! T50 phi" 134 1 134 11 parsed_2mlb 1
46 "! L51 phi" 137 1 137 11 parsed_2mlb 1
47 "! D52 phi" 140 1 140 11 parsed_2mlb 1
48 "! P53 phi" 143 1 143 11 parsed_2mlb 1
49 "! S54 phi" 146 1 146 11 parsed_2mlb 1
50 "! L55 phi" 149 1 149 11 parsed_2mlb 1
51 "! T56 phi" 152 1 152 11 parsed_2mlb 1
52 "! L57 phi" 155 1 155 11 parsed_2mlb 1
53 "! A58 phi" 158 1 158 11 parsed_2mlb 1
54 "! E59 phi" 161 1 161 11 parsed_2mlb 1
55 "! Y60 phi" 164 1 164 11 parsed_2mlb 1
56 "! G61 phi" 167 1 167 11 parsed_2mlb 1
57 "! T63 phi" 170 1 170 11 parsed_2mlb 1
58 "! P64 phi" 173 1 173 11 parsed_2mlb 1
59 "! S66 phi" 176 1 176 11 parsed_2mlb 1
60 "! T67 phi" 179 1 179 11 parsed_2mlb 1
61 "! I68 phi" 182 1 182 11 parsed_2mlb 1
62 "! T69 phi" 185 1 185 11 parsed_2mlb 1
63 "! L70 phi" 188 1 188 11 parsed_2mlb 1
64 "! E71 phi" 191 1 191 11 parsed_2mlb 1
65 "! I72 phi" 194 1 194 11 parsed_2mlb 1
66 "! K73 phi" 197 1 197 11 parsed_2mlb 1
67 "! D2 psi" 200 1 200 10 parsed_2mlb 1
68 "! T3 psi" 203 1 203 10 parsed_2mlb 1
69 "! I4 psi" 206 1 206 10 parsed_2mlb 1
70 "! N5 psi" 209 1 209 10 parsed_2mlb 1
71 "! I6 psi" 212 1 212 10 parsed_2mlb 1
72 "! T7 psi" 215 1 215 10 parsed_2mlb 1
73 "! L8 psi" 218 1 218 10 parsed_2mlb 1
74 "! P9 psi" 221 1 221 10 parsed_2mlb 1
75 "! D10 psi" 224 1 224 11 parsed_2mlb 1
76 "! G11 psi" 227 1 227 11 parsed_2mlb 1
77 "! T13 psi" 230 1 230 11 parsed_2mlb 1
78 "! L14 psi" 233 1 233 11 parsed_2mlb 1
79 "! T15 psi" 236 1 236 11 parsed_2mlb 1
80 "! L16 psi" 239 1 239 11 parsed_2mlb 1
81 "! V18 psi" 242 1 242 11 parsed_2mlb 1
82 "! P20 psi" 245 1 245 11 parsed_2mlb 1
83 "! E21 psi" 248 1 248 11 parsed_2mlb 1
84 "! F22 psi" 251 1 251 11 parsed_2mlb 1
85 "! T23 psi" 254 1 254 11 parsed_2mlb 1
86 "! V24 psi" 257 1 257 11 parsed_2mlb 1
87 "! K25 psi" 260 1 260 11 parsed_2mlb 1
88 "! E26 psi" 263 1 263 11 parsed_2mlb 1
89 "! L27 psi" 266 1 266 11 parsed_2mlb 1
90 "! A28 psi" 269 1 269 11 parsed_2mlb 1
91 "! E29 psi" 272 1 272 11 parsed_2mlb 1
92 "! E30 psi" 275 1 275 11 parsed_2mlb 1
93 "! I31 psi" 278 1 278 11 parsed_2mlb 1
94 "! A32 psi" 281 1 281 11 parsed_2mlb 1
95 "! R33 psi" 284 1 284 11 parsed_2mlb 1
96 "! R34 psi" 287 1 287 11 parsed_2mlb 1
97 "! L35 psi" 290 1 290 11 parsed_2mlb 1
98 "! G36 psi" 293 1 293 11 parsed_2mlb 1
99 "! L37 psi" 296 1 296 11 parsed_2mlb 1
100 "! S38 psi" 299 1 299 11 parsed_2mlb 1
101 "! P39 psi" 302 1 302 11 parsed_2mlb 1
102 "! E40 psi" 305 1 305 11 parsed_2mlb 1
103 "! D41 psi" 308 1 308 11 parsed_2mlb 1
104 "! K43 psi" 311 1 311 11 parsed_2mlb 1
105 "! L44 psi" 314 1 314 11 parsed_2mlb 1
106 "! T45 psi" 317 1 317 11 parsed_2mlb 1
107 "! H46 psi" 320 1 320 11 parsed_2mlb 1
108 "! N47 psi" 323 1 323 11 parsed_2mlb 1
109 "! G48 psi" 326 1 326 11 parsed_2mlb 1
110 "! K49 psi" 329 1 329 11 parsed_2mlb 1
111 "! T50 psi" 332 1 332 11 parsed_2mlb 1
112 "! L51 psi" 335 1 335 11 parsed_2mlb 1
113 "! D52 psi" 338 1 338 11 parsed_2mlb 1
114 "! P53 psi" 341 1 341 11 parsed_2mlb 1
115 "! S54 psi" 344 1 344 11 parsed_2mlb 1
116 "! L55 psi" 347 1 347 11 parsed_2mlb 1
117 "! T56 psi" 350 1 350 11 parsed_2mlb 1
118 "! L57 psi" 353 1 353 11 parsed_2mlb 1
119 "! A58 psi" 356 1 356 11 parsed_2mlb 1
120 "! E59 psi" 359 1 359 11 parsed_2mlb 1
121 "! Y60 psi" 362 1 362 11 parsed_2mlb 1
122 "! G61 psi" 365 1 365 11 parsed_2mlb 1
123 "! T63 psi" 368 1 368 11 parsed_2mlb 1
124 "! P64 psi" 371 1 371 11 parsed_2mlb 1
125 "! S66 psi" 374 1 374 11 parsed_2mlb 1
126 "! T67 psi" 377 1 377 11 parsed_2mlb 1
127 "! I68 psi" 380 1 380 11 parsed_2mlb 1
128 "! T69 psi" 383 1 383 11 parsed_2mlb 1
129 "! L70 psi" 386 1 386 11 parsed_2mlb 1
130 "! E71 psi" 389 1 389 11 parsed_2mlb 1
131 "! I72 psi" 392 1 392 11 parsed_2mlb 1
132 "! K73 psi" 395 1 395 11 parsed_2mlb 1
stop_
save_
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