NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
53715 |
2rov   |
cing | 2-parsed | STAR | dihedral angle | 139 |
data_2rov_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rov
_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_2rov 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rov
_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 2rov "Master copy" parsed_2rov
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rov
_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 2rov.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rov 1
1 2rov.mr . . XPLOR/CNS 2 distance NOE simple 2865 parsed_2rov 1
1 2rov.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 56 parsed_2rov 1
1 2rov.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 139 parsed_2rov 1
1 2rov.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rov 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rov
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.87 -103.87 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2rov 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.28 -61.28 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2rov 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -121.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2rov 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.22 -91.22 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2rov 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.45 -85.45 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2rov 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.54 -76.54 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2rov 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.84 -104.84 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2rov 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.71 -72.71 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2rov 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.1 -80.1 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2rov 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.55 -82.55 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2rov 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.64 -98.64 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2rov 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.49 -86.49 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2rov 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.32 -53.32 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2rov 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.52 -117.52 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2rov 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.1 -75.1 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2rov 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.2 -70.2 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2rov 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.37 -83.37 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2rov 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.75 -58.75 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2rov 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.15 -47.15 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2rov 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.81 -54.81 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2rov 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.77 -50.77 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2rov 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.81 -47.81 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2rov 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.5 -48.5 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2rov 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.62 -63.62 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2rov 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.87 -98.87 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2rov 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.67 -99.67 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2rov 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.94 -56.94 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2rov 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.3 -37.3 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2rov 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.16 -49.16 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2rov 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.62 -93.62 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2rov 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.63 -87.63 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2rov 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.57 -86.57 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2rov 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.21 -94.21 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2rov 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.34 -51.34 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2rov 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.55 -46.55 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2rov 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.98 -46.98 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2rov 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.93 -43.93 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2rov 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.13 -41.13 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2rov 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.05 -49.05 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2rov 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.32 -50.32 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2rov 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.44 -53.44 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2rov 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.77 -35.77 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2rov 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.3 -102.3 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2rov 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.9 -104.9 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_2rov 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.39 -109.39 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_2rov 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.47 -108.47 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_2rov 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.15 -87.15 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_2rov 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.05 -85.05 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2rov 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.29 -54.29 . . 90 . c . 91 . n . 91 . ca . 91 . c parsed_2rov 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.62 -101.62 . . 91 . c . 92 . n . 92 . ca . 92 . c parsed_2rov 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168.27 -108.27 . . 92 . c . 93 . n . 93 . ca . 93 . c parsed_2rov 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.53 -58.53 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_2rov 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.85 -86.85 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_2rov 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.3 -59.3 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_2rov 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.6 -63.6 . . 96 . c . 97 . n . 97 . ca . 97 . c parsed_2rov 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.97 -48.97 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_2rov 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.93 -49.93 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_2rov 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.35 -52.35 . . 100 . c . 101 . n . 101 . ca . 101 . c parsed_2rov 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.51 -57.51 . . 101 . c . 102 . n . 102 . ca . 102 . c parsed_2rov 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.4 -55.4 . . 102 . c . 103 . n . 103 . ca . 103 . c parsed_2rov 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.52 -55.52 . . 103 . c . 104 . n . 104 . ca . 104 . c parsed_2rov 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.34 -54.34 . . 104 . c . 105 . n . 105 . ca . 105 . c parsed_2rov 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.43 -55.43 . . 105 . c . 106 . n . 106 . ca . 106 . c parsed_2rov 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.1 -54.1 . . 106 . c . 107 . n . 107 . ca . 107 . c parsed_2rov 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.51 -51.51 . . 107 . c . 108 . n . 108 . ca . 108 . c parsed_2rov 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.7 -54.7 . . 108 . c . 109 . n . 109 . ca . 109 . c parsed_2rov 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.92 -52.92 . . 109 . c . 110 . n . 110 . ca . 110 . c parsed_2rov 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.84 -55.84 . . 110 . c . 111 . n . 111 . ca . 111 . c parsed_2rov 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.54 -57.54 . . 111 . c . 112 . n . 112 . ca . 112 . c parsed_2rov 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.11 -53.11 . . 116 . c . 117 . n . 117 . ca . 117 . c parsed_2rov 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.74 177.74 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2rov 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.94 145.94 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2rov 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.08 180.08 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2rov 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.22 175.22 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2rov 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.1 169.1 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2rov 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.8 157.8 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2rov 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.58 162.58 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2rov 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.85 149.85 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2rov 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.1 188.1 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2rov 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.6 149.6 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2rov 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.23 169.23 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2rov 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.74 138.74 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2rov 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 154.28 190.28 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2rov 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.36 170.36 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2rov 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.28 145.28 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2rov 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.24 177.24 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2rov 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.23 170.23 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2rov 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.85 183.85 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2rov 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.19 -24.19 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2rov 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.28 -32.28 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2rov 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.47 -18.47 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2rov 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.84 -30.84 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2rov 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.54 -10.54 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2rov 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.97 25.03 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2rov 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.94 158.94 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2rov 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.79 155.79 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2rov 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.56 175.56 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2rov 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.55 -15.55 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2rov 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.94 -6.94 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2rov 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.85 173.85 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2rov 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.63 174.63 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2rov 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.41 174.41 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2rov 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.62 176.62 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2rov 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.79 186.79 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2rov 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.76 -8.76 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2rov 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.95 14.05 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_2rov 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.03 -11.03 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2rov 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59.23 181.23 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2rov 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -8.4 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2rov 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.18 -19.18 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2rov 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.41 -19.41 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_2rov 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.92 -23.92 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_2rov 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.44 155.44 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_2rov 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.63 174.63 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_2rov 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.82 174.82 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_2rov 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 142.0 . . 80 . n . 80 . ca . 80 . c . 81 . n parsed_2rov 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.52 145.52 . . 81 . n . 81 . ca . 81 . c . 82 . n parsed_2rov 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.32 180.32 . . 82 . n . 82 . ca . 82 . c . 83 . n parsed_2rov 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.1 182.1 . . 91 . n . 91 . ca . 91 . c . 92 . n parsed_2rov 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.98 167.98 . . 92 . n . 92 . ca . 92 . c . 93 . n parsed_2rov 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.58 146.58 . . 93 . n . 93 . ca . 93 . c . 94 . n parsed_2rov 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.7 158.7 . . 94 . n . 94 . ca . 94 . c . 95 . n parsed_2rov 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.56 178.56 . . 95 . n . 95 . ca . 95 . c . 96 . n parsed_2rov 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.98 153.98 . . 96 . n . 96 . ca . 96 . c . 97 . n parsed_2rov 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.08 203.08 . . 97 . n . 97 . ca . 97 . c . 98 . n parsed_2rov 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.01 -4.01 . . 98 . n . 98 . ca . 98 . c . 99 . n parsed_2rov 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.81 -26.81 . . 100 . n . 100 . ca . 100 . c . 101 . n parsed_2rov 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.29 -34.29 . . 101 . n . 101 . ca . 101 . c . 102 . n parsed_2rov 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.95 -27.95 . . 102 . n . 102 . ca . 102 . c . 103 . n parsed_2rov 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.06 -35.06 . . 103 . n . 103 . ca . 103 . c . 104 . n parsed_2rov 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -21.5 . . 104 . n . 104 . ca . 104 . c . 105 . n parsed_2rov 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.22 -25.22 . . 105 . n . 105 . ca . 105 . c . 106 . n parsed_2rov 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.02 -39.02 . . 106 . n . 106 . ca . 106 . c . 107 . n parsed_2rov 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.04 -34.04 . . 107 . n . 107 . ca . 107 . c . 108 . n parsed_2rov 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.26 -22.26 . . 108 . n . 108 . ca . 108 . c . 109 . n parsed_2rov 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.82 -27.82 . . 109 . n . 109 . ca . 109 . c . 110 . n parsed_2rov 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 -31.9 . . 110 . n . 110 . ca . 110 . c . 111 . n parsed_2rov 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.18 -32.18 . . 111 . n . 111 . ca . 111 . c . 112 . n parsed_2rov 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.41 -5.41 . . 112 . n . 112 . ca . 112 . c . 113 . n parsed_2rov 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.tbl
;
1 1 4 2 parsed_2rov 1
2
;
assign (resid 4 and name c ) (resid 5 and name n )
(resid 5 and name ca ) (resid 5 and name c ) 1 -126.2 70.0 2
;
8 1 9 72 parsed_2rov 1
3
;
assign (resid 9 and name c ) (resid 10 and name n )
(resid 10 and name ca ) (resid 10 and name c ) 1 -61.89 13 2
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca ) (resid 11 and name c ) 1 -99.65 28.9 2
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 12 and name c ) (resid 13 and name n )
(resid 13 and name ca ) (resid 13 and name c ) 1 -128.2 36 2
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca ) (resid 15 and name c ) 1 82.8 20 2
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca ) (resid 18 and name c ) 1 -98.5 13 2
;
18 1 29 71 parsed_2rov 1
4
;
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca ) (resid 24 and name c ) 1 -58.9 20 2
;
38 1 39 71 parsed_2rov 1
5
;
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca ) (resid 29 and name c ) 1 -64 21 2
;
48 1 49 69 parsed_2rov 1
6
;
assign (resid 43 and name c ) (resid 44 and name n )
(resid 44 and name ca ) (resid 44 and name c ) 1 -64.2 14 2
assign (resid 44 and name c ) (resid 45 and name n )
(resid 45 and name ca ) (resid 45 and name c ) 1 -68.4 9 2
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 -62.2 7 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
;
72 1 81 73 parsed_2rov 1
7
;
assign (resid 53 and name c ) (resid 54 and name n )
(resid 54 and name ca ) (resid 54 and name c ) 1 -62.6 12 2
assign (resid 54 and name c ) (resid 55 and name n )
(resid 55 and name ca ) (resid 55 and name c ) 1 -60.6 12.2 2
assign (resid 55 and name c ) (resid 56 and name n )
(resid 56 and name ca ) (resid 56 and name c ) 1 -62.1 12 2
;
92 1 97 71 parsed_2rov 1
8
;
assign (resid 59 and name c ) (resid 60 and name n )
(resid 60 and name ca ) (resid 60 and name c ) 1 -60.5 10 2
;
104 1 105 71 parsed_2rov 1
9
;
assign (resid 65 and name c ) (resid 66 and name n )
(resid 66 and name ca ) (resid 66 and name c ) 1 -92.5 38 2
assign (resid 66 and name c ) (resid 67 and name n )
(resid 67 and name ca ) (resid 67 and name c ) 1 -95.1 55 2
;
115 1 118 71 parsed_2rov 1
10
;
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
;
133 1 134 71 parsed_2rov 1
11
;
assign (resid 82 and name c ) (resid 83 and name n )
(resid 83 and name ca ) (resid 83 and name c ) 1 -122.7 50.0 2
assign (resid 83 and name c ) (resid 84 and name n )
(resid 84 and name ca ) (resid 84 and name c ) 1 -104.4 90.0 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 87 and name c ) (resid 88 and name n )
(resid 88 and name ca ) (resid 88 and name c ) 1 -61.1 13 2
;
149 1 158 71 parsed_2rov 1
12
;
assign (resid 98 and name c ) (resid 99 and name n )
(resid 99 and name ca ) (resid 99 and name c ) 1 -81.5 23 2
;
177 1 178 71 parsed_2rov 1
13
;
assign (resid 112 and name c ) (resid 113 and name n )
(resid 113 and name ca ) (resid 113 and name c ) 1 -92.94 44 2
assign (resid 113 and name c ) (resid 114 and name n )
(resid 114 and name ca ) (resid 114 and name c ) 1 -76 40 2
assign (resid 115 and name c ) (resid 116 and name n )
(resid 116 and name ca ) (resid 116 and name c ) 1 -62 24.8 2
;
205 1 210 73 parsed_2rov 1
14 psi.tbl 215 1 216 2 parsed_2rov 1
15
;
assign (resid 5 and name n ) (resid 5 and name ca )
(resid 5 and name c ) (resid 6 and name n ) 1 150.1 26 2
;
219 1 220 71 parsed_2rov 1
16
;
assign (resid 10 and name n ) (resid 10 and name ca )
(resid 10 and name c ) (resid 11 and name n ) 1 139.94 17 2
assign (resid 11 and name n ) (resid 11 and name ca )
(resid 11 and name c ) (resid 12 and name n ) 1 129 28 2
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 13 and name n ) (resid 13 and name ca )
(resid 13 and name c ) (resid 14 and name n ) 1 133.8 34.8 2
assign (resid 15 and name n ) (resid 15 and name ca )
(resid 15 and name c ) (resid 16 and name n ) 1 -7.73 40 2
assign (resid 18 and name n ) (resid 18 and name ca )
(resid 18 and name c ) (resid 19 and name n ) 1 -37.73 22 2
;
229 1 240 74 parsed_2rov 1
17
;
assign (resid 29 and name n ) (resid 29 and name ca )
(resid 29 and name c ) (resid 30 and name n ) 1 -32.7 33 2
;
258 1 259 73 parsed_2rov 1
18
;
assign (resid 44 and name n ) (resid 44 and name ca )
(resid 44 and name c ) (resid 45 and name n ) 1 -44.3 6.2 2
assign (resid 45 and name n ) (resid 45 and name ca )
(resid 45 and name c ) (resid 46 and name n ) 1 -43.6 16.2 2
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 -46.1 10.0 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
49-50 : helix
;
284 1 294 16 parsed_2rov 1
19
;
assign (resid 54 and name n ) (resid 54 and name ca )
(resid 54 and name c ) (resid 55 and name n ) 1 -14.67 27 2
assign (resid 55 and name n ) (resid 55 and name ca )
(resid 55 and name c ) (resid 56 and name n ) 1 -40.6 20.8 2
assign (resid 56 and name n ) (resid 56 and name ca )
(resid 56 and name c ) (resid 57 and name n ) 1 -30 30.6 2
;
305 1 310 72 parsed_2rov 1
20
;
assign (resid 60 and name n ) (resid 60 and name ca )
(resid 60 and name c ) (resid 61 and name n ) 1 137.4 17 2
;
317 1 318 73 parsed_2rov 1
21
;
assign (resid 67 and name n ) (resid 67 and name ca )
(resid 67 and name c ) (resid 68 and name n ) 1 131.6 16.2 2
;
328 1 329 75 parsed_2rov 1
22
;
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
;
342 1 343 73 parsed_2rov 1
23
;
assign (resid 83 and name n ) (resid 83 and name ca )
(resid 83 and name c ) (resid 84 and name n ) 1 137.4 32 2
84-85 : strand
assign (resid 84 and name n ) (resid 84 and name ca )
(resid 84 and name c ) (resid 85 and name n ) 1 132.4 36 2
85-86 : strand
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
86-87 : strand
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
88-89 : strand
assign (resid 88 and name n ) (resid 88 and name ca )
(resid 88 and name c ) (resid 89 and name n ) 1 -19.7 17 2
;
356 1 370 73 parsed_2rov 1
24
;
99-100 : strand
assign (resid 99 and name n ) (resid 99 and name ca )
(resid 99 and name c ) (resid 100 and name n ) 1 -16.54 40 2
;
387 1 389 75 parsed_2rov 1
25
;
113-114 : helix
assign (resid 113 and name n ) (resid 113 and name ca )
(resid 113 and name c ) (resid 114 and name n ) 1 -31.3 20.8 2
114-115 : helix
assign (resid 114 and name n ) (resid 114 and name ca )
(resid 114 and name c ) (resid 115 and name n ) 1 -29.9 37 2
end
;
416 1 423 5 parsed_2rov 1
stop_
save_
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