Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
524024 | 2la8 RC | 17515 | cing | 2-parsed | STAR | dihedral angle | 109 |
data_2la8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2la8
_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_2la8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2la8
_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 2la8 "Master copy" parsed_2la8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2la8
_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 2la8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2la8 1
1 2la8.mr . . XPLOR/CNS 2 distance NOE simple 2539 parsed_2la8 1
1 2la8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 54 parsed_2la8 1
1 2la8.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 109 parsed_2la8 1
1 2la8.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2la8 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2la8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.620 -74.620 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2la8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.01 -87.01 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2la8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.02 -109.02 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2la8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.09 -92.09 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2la8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.88 -86.88 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2la8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.79 -88.79 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2la8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.40 -62.40 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2la8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.050 -53.050 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2la8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.74 -47.74 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2la8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.75 -75.75 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2la8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.99 -68.99 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2la8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.88 -88.88 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2la8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167.26 -33.26 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2la8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.42 -74.42 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2la8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.43 -76.43 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2la8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.37 -59.37 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2la8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.41 -61.41 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2la8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.02 -55.02 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2la8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.74 -103.74 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2la8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.47 -96.47 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2la8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.15 -71.15 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2la8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.09 -54.09 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2la8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.87 -44.87 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2la8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.13 -46.13 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2la8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -181.17 -55.17 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2la8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.92 -59.92 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2la8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.68 -89.68 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2la8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.79 -74.79 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2la8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.630 -96.630 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2la8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.55 -111.55 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2la8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.21 -59.21 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2la8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.09 -58.09 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2la8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.69 -48.69 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2la8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.09 -53.09 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2la8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.67 -52.67 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_2la8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.30 -50.30 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_2la8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.13 -55.13 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2la8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.91 -56.91 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2la8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.83 -49.83 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2la8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.94 -50.94 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2la8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.83 -27.83 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2la8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.66 -83.66 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2la8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.48 -86.48 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2la8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.10 -101.10 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_2la8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.18 -77.18 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_2la8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.3 -95.3 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_2la8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.98 -108.98 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2la8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.37 -93.37 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2la8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.08 -45.08 . . 90 . c . 91 . n . 91 . ca . 91 . c parsed_2la8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.12 -45.12 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_2la8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.05 -45.05 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_2la8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.17 -91.17 . . 98 . c . 99 . n . 99 . ca . 99 . c parsed_2la8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.4 -55.4 . . 103 . c . 104 . n . 104 . ca . 104 . c parsed_2la8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.27 -70.27 . . 104 . c . 105 . n . 105 . ca . 105 . c parsed_2la8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.82 -49.82 . . 105 . c . 106 . n . 106 . ca . 106 . c parsed_2la8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.94 177.94 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2la8 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.27 182.27 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2la8 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.06 176.06 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2la8 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.99 157.99 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2la8 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.25 178.25 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2la8 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.71 191.71 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2la8 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.77 161.77 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2la8 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.89 -7.89 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2la8 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.35 -30.35 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2la8 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.08 212.08 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2la8 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.21 170.21 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2la8 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.60 167.60 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2la8 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.45 162.45 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2la8 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.31 36.69 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2la8 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.52 152.52 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2la8 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.90 142.90 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2la8 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.21 145.21 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2la8 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.81 -8.81 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2la8 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.22 178.22 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2la8 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.81 166.81 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2la8 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.92 188.92 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2la8 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.71 -30.71 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2la8 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.61 -30.61 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2la8 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.73 3.27 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2la8 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.05 174.05 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2la8 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.080 184.080 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2la8 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.77 147.77 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2la8 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.68 146.68 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2la8 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.13 177.13 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2la8 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.26 141.26 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2la8 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.63 170.63 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2la8 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.37 195.37 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2la8 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.31 -37.31 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2la8 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.90 -32.90 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_2la8 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.73 -31.73 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_2la8 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.06 -31.06 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_2la8 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.12 -22.12 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2la8 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.29 -29.29 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2la8 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.83 -27.83 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2la8 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.47 -4.47 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2la8 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.86 162.86 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_2la8 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.25 152.25 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_2la8 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.71 149.71 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_2la8 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.75 159.75 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_2la8 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.39 156.39 . . 80 . n . 80 . ca . 80 . c . 81 . n parsed_2la8 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.22 142.22 . . 81 . n . 81 . ca . 81 . c . 82 . n parsed_2la8 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.28 146.28 . . 82 . n . 82 . ca . 82 . c . 83 . n parsed_2la8 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.47 164.47 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_2la8 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.87 26.13 . . 91 . n . 91 . ca . 91 . c . 92 . n parsed_2la8 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.17 207.17 . . 93 . n . 93 . ca . 93 . c . 94 . n parsed_2la8 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.36 176.36 . . 95 . n . 95 . ca . 95 . c . 96 . n parsed_2la8 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.43 12.57 . . 98 . n . 98 . ca . 98 . c . 99 . n parsed_2la8 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.19 163.19 . . 104 . n . 104 . ca . 104 . c . 105 . n parsed_2la8 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.45 164.45 . . 105 . n . 105 . ca . 105 . c . 106 . n parsed_2la8 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
;
restraints dihedral reset
phi.tbl
;
1 1 5 2 parsed_2la8 1
2
;
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca ) (resid 9 and name c ) 1 -113.85 26 2
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca ) (resid 10 and name c ) 1 -118.15 37 2
;
19 1 22 73 parsed_2la8 1
3
;
assign (resid 11 and name c ) (resid 12 and name n )
(resid 12 and name ca ) (resid 12 and name c ) 1 -118.5 32.4 2
assign (resid 13 and name c ) (resid 14 and name n )
(resid 14 and name ca ) (resid 14 and name c ) 1 -73.53 26 2
;
25 1 28 72 parsed_2la8 1
4
;
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca ) (resid 19 and name c ) 1 -126.14 36 2
;
35 1 36 73 parsed_2la8 1
5
;
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca ) (resid 22 and name c ) 1 -93.71 21 2
;
41 1 42 72 parsed_2la8 1
6
;
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca ) (resid 24 and name c ) 1 -137.79 34 2
;
45 1 46 73 parsed_2la8 1
7
;
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca ) (resid 26 and name c ) 1 -64.34 20 2
;
49 1 50 72 parsed_2la8 1
8
;
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca ) (resid 31 and name c ) 1 -107.32 23 2
;
59 1 60 73 parsed_2la8 1
9
;
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca ) (resid 34 and name c ) 1 -57.3 7 2
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca ) (resid 35 and name c ) 1 -70.78 23 2
;
65 1 68 72 parsed_2la8 1
10
;
assign (resid 38 and name c ) (resid 39 and name n )
(resid 39 and name ca ) (resid 39 and name c ) 1 -137.49 33 2
;
71 1 72 73 parsed_2la8 1
11
;
assign (resid 42 and name c ) (resid 43 and name n )
(resid 43 and name ca ) (resid 43 and name c ) 1 -92.62 29 2
;
79 1 80 72 parsed_2la8 1
12
;
assign (resid 45 and name c ) (resid 46 and name n )
(resid 46 and name ca ) (resid 46 and name c ) 1 -62.5 10 2
assign (resid 46 and name c ) (resid 47 and name n )
(resid 47 and name ca ) (resid 47 and name c ) 1 -117.46 53 2
assign (resid 47 and name c ) (resid 48 and name n )
(resid 48 and name ca ) (resid 48 and name c ) 1 -65.7 11.0 2
;
85 1 90 73 parsed_2la8 1
13
;
assign (resid 50 and name c ) (resid 51 and name n )
(resid 51 and name ca ) (resid 51 and name c ) 1 -91.83 55 2
;
95 1 96 72 parsed_2la8 1
14
;
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca ) (resid 54 and name c ) 1 -100.21 36 2
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca ) (resid 55 and name c ) 1 -130.89 42 2
;
101 1 104 73 parsed_2la8 1
15
;
assign (resid 56 and name c ) (resid 57 and name n )
(resid 57 and name ca ) (resid 57 and name c ) 1 -130.85 32 2
assign (resid 57 and name c ) (resid 58 and name n )
(resid 58 and name ca ) (resid 58 and name c ) 1 -125.23 44 2
assign (resid 58 and name c ) (resid 59 and name n )
(resid 59 and name ca ) (resid 59 and name c ) 1 -112.62 23 2
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca ) (resid 60 and name c ) 1 -119.61 21 2
;
107 1 114 73 parsed_2la8 1
16
;
assign (resid 61 and name c ) (resid 62 and name n )
(resid 62 and name ca ) (resid 62 and name c ) 1 -91.34 40 2
;
117 1 118 72 parsed_2la8 1
17
;
assign (resid 71 and name c ) (resid 72 and name n )
(resid 72 and name ca ) (resid 72 and name c ) 1 -69.06 13 2
;
138 1 139 72 parsed_2la8 1
18
;
assign (resid 73 and name c ) (resid 74 and name n )
(resid 74 and name ca ) (resid 74 and name c ) 1 -61.77 26 2
assign (resid 74 and name c ) (resid 75 and name n )
(resid 75 and name ca ) (resid 75 and name c ) 1 -62.4 11 2
;
142 1 145 71 parsed_2la8 1
19
;
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca ) (resid 84 and name c ) 1 -93.57 65 2
assign (resid 84 and name c ) (resid 85 and name n )
(resid 85 and name ca ) (resid 85 and name c ) 1 -60.7 14 2
assign (resid 85 and name c ) (resid 86 and name n )
(resid 86 and name ca ) (resid 86 and name c ) 1 -83.3 40 2
assign (resid 88 and name c ) (resid 89 and name n )
(resid 89 and name ca ) (resid 89 and name c ) 1 -76.99 29 2
;
162 1 169 72 parsed_2la8 1
20
;
assign (resid 91 and name c ) (resid 92 and name n )
(resid 92 and name ca ) (resid 92 and name c ) 1 -131.62 30 2
assign (resid 92 and name c ) (resid 93 and name n )
(resid 93 and name ca ) (resid 93 and name c ) 1 -118.45 57 2
assign (resid 93 and name c ) (resid 94 and name n )
(resid 94 and name ca ) (resid 94 and name c ) 1 -101.53 43 2
;
173 1 178 73 parsed_2la8 1
21
;
assign (resid 95 and name c ) (resid 96 and name n )
(resid 96 and name ca ) (resid 96 and name c ) 1 -125.64 54 2
assign (resid 96 and name c ) (resid 97 and name n )
(resid 97 and name ca ) (resid 97 and name c ) 1 -97.28 27 2
;
181 1 184 72 parsed_2la8 1
22
;
assign (resid 99 and name c ) (resid 100 and name n )
(resid 100 and name ca ) (resid 100 and name c ) 1 -63.93 14 2
assign (resid 100 and name c ) (resid 101 and name n )
(resid 101 and name ca ) (resid 101 and name c ) 1 -106.81 38 2
assign (resid 101 and name c ) (resid 102 and name n )
(resid 102 and name ca ) (resid 102 and name c ) 1 -96.89 35 2
assign (resid 102 and name c ) (resid 103 and name n )
(resid 103 and name ca ) (resid 103 and name c ) 1 -76.35 52 2
;
190 1 197 74 parsed_2la8 1
23 psi.tbl 205 1 206 2 parsed_2la8 1
24
;
assign (resid 9 and name n ) (resid 9 and name ca )
(resid 9 and name c ) (resid 10 and name n ) 1 138.19 28 2
assign (resid 10 and name n ) (resid 10 and name ca )
(resid 10 and name c ) (resid 11 and name n ) 1 145.75 35 2
;
219 1 222 74 parsed_2la8 1
25
;
assign (resid 12 and name n ) (resid 12 and name ca )
(resid 12 and name c ) (resid 13 and name n ) 1 132.8 22 2
assign (resid 14 and name n ) (resid 14 and name ca )
(resid 14 and name c ) (resid 15 and name n ) 1 136.22 29 2
;
225 1 228 74 parsed_2la8 1
26
;
assign (resid 19 and name n ) (resid 19 and name ca )
(resid 19 and name c ) (resid 20 and name n ) 1 132.21 24 2
;
235 1 236 74 parsed_2la8 1
27
;
assign (resid 22 and name n ) (resid 22 and name ca )
(resid 22 and name c ) (resid 23 and name n ) 1 129.85 20 2
;
242 1 243 74 parsed_2la8 1
28
;
assign (resid 24 and name n ) (resid 24 and name ca )
(resid 24 and name c ) (resid 25 and name n ) 1 158.05 19 2
;
246 1 247 74 parsed_2la8 1
29
;
assign (resid 26 and name n ) (resid 26 and name ca )
(resid 26 and name c ) (resid 27 and name n ) 1 -31.64 16 2
;
250 1 251 73 parsed_2la8 1
30
;
assign (resid 31 and name n ) (resid 31 and name ca )
(resid 31 and name c ) (resid 32 and name n ) 1 125.09 18 2
;
261 1 262 74 parsed_2la8 1
31
;
assign (resid 34 and name n ) (resid 34 and name ca )
(resid 34 and name c ) (resid 35 and name n ) 1 -33.98 21 2
assign (resid 35 and name n ) (resid 35 and name ca )
(resid 35 and name c ) (resid 36 and name n ) 1 -27.82 37 2
;
267 1 270 74 parsed_2la8 1
32
;
assign (resid 39 and name n ) (resid 39 and name ca )
(resid 39 and name c ) (resid 40 and name n ) 1 151.18 32 2
;
273 1 274 74 parsed_2la8 1
33
;
assign (resid 43 and name n ) (resid 43 and name ca )
(resid 43 and name c ) (resid 44 and name n ) 1 -10.97 36 2
;
281 1 282 74 parsed_2la8 1
34
;
assign (resid 46 and name n ) (resid 46 and name ca )
(resid 46 and name c ) (resid 47 and name n ) 1 -40.2 10.0 2
assign (resid 47 and name n ) (resid 47 and name ca )
(resid 47 and name c ) (resid 48 and name n ) 1 138.74 44 2
assign (resid 48 and name n ) (resid 48 and name ca )
(resid 48 and name c ) (resid 49 and name n ) 1 -42.2 12.4 2
;
288 1 293 75 parsed_2la8 1
35
;
assign (resid 51 and name n ) (resid 51 and name ca )
(resid 51 and name c ) (resid 52 and name n ) 1 135.34 35 2
;
298 1 299 74 parsed_2la8 1
36
;
assign (resid 54 and name n ) (resid 54 and name ca )
(resid 54 and name c ) (resid 55 and name n ) 1 130.11 28 2
assign (resid 55 and name n ) (resid 55 and name ca )
(resid 55 and name c ) (resid 56 and name n ) 1 149.33 32 2
;
304 1 307 74 parsed_2la8 1
37
;
assign (resid 57 and name n ) (resid 57 and name ca )
(resid 57 and name c ) (resid 58 and name n ) 1 146.62 23 2
assign (resid 58 and name n ) (resid 58 and name ca )
(resid 58 and name c ) (resid 59 and name n ) 1 130.63 25 2
assign (resid 59 and name n ) (resid 59 and name ca )
(resid 59 and name c ) (resid 60 and name n ) 1 120.97 21 2
assign (resid 60 and name n ) (resid 60 and name ca )
(resid 60 and name c ) (resid 61 and name n ) 1 140.13 30 2
;
310 1 317 74 parsed_2la8 1
38
;
assign (resid 62 and name n ) (resid 62 and name ca )
(resid 62 and name c ) (resid 63 and name n ) 1 160.79 26 2
;
320 1 321 74 parsed_2la8 1
39
;
assign (resid 72 and name n ) (resid 72 and name ca )
(resid 72 and name c ) (resid 73 and name n ) 1 -27.87 31 2
;
339 1 340 74 parsed_2la8 1
40
;
assign (resid 74 and name n ) (resid 74 and name ca )
(resid 74 and name c ) (resid 75 and name n ) 1 -42.92 19 2
assign (resid 75 and name n ) (resid 75 and name ca )
(resid 75 and name c ) (resid 76 and name n ) 1 -27.8 32 2
;
343 1 346 73 parsed_2la8 1
41
;
assign (resid 84 and name n ) (resid 84 and name ca )
(resid 84 and name c ) (resid 85 and name n ) 1 138.66 22 2
assign (resid 85 and name n ) (resid 85 and name ca )
(resid 85 and name c ) (resid 86 and name n ) 1 -37.7 28 2
assign (resid 86 and name n ) (resid 86 and name ca )
(resid 86 and name c ) (resid 87 and name n ) 1 -22.7 40 2
assign (resid 89 and name n ) (resid 89 and name ca )
(resid 89 and name c ) (resid 90 and name n ) 1 132.36 25 2
;
361 1 368 74 parsed_2la8 1
42
;
assign (resid 92 and name n ) (resid 92 and name ca )
(resid 92 and name c ) (resid 93 and name n ) 1 150.98 17 2
;
371 1 372 74 parsed_2la8 1
43
;
assign (resid 94 and name n ) (resid 94 and name ca )
(resid 94 and name c ) (resid 95 and name n ) 1 140.7 18 2
;
375 1 376 73 parsed_2la8 1
44
;
assign (resid 96 and name n ) (resid 96 and name ca )
(resid 96 and name c ) (resid 97 and name n ) 1 136.25 28 2
assign (resid 97 and name n ) (resid 97 and name ca )
(resid 97 and name c ) (resid 98 and name n ) 1 118.85 11 2
;
379 1 382 74 parsed_2la8 1
45
;
assign (resid 99 and name n ) (resid 99 and name ca )
(resid 99 and name c ) (resid 100 and name n ) 1 134.00 35 2
assign (resid 100 and name n ) (resid 100 and name ca )
(resid 100 and name c ) (resid 101 and name n ) 1 -37.81 11 2
assign (resid 101 and name n ) (resid 101 and name ca )
(resid 101 and name c ) (resid 102 and name n ) 1 133.17 33 2
assign (resid 102 and name n ) (resid 102 and name ca )
(resid 102 and name c ) (resid 103 and name n ) 1 134.69 37 2
assign (resid 103 and name n ) (resid 103 and name ca )
(resid 103 and name c ) (resid 104 and name n ) 1 125.40 38 2
;
385 1 394 76 parsed_2la8 1
46
;
assign (resid 106 and name n ) (resid 106 and name ca )
(resid 106 and name c ) (resid 107 and name n ) 1 -30.12 38 2
end
;
399 1 402 5 parsed_2la8 1
stop_
save_