NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
530742 |
2lcc   |
17606 | cing | 2-parsed | STAR | dihedral angle | 100 |
data_2lcc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lcc
_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_2lcc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lcc
_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 2lcc "Master copy" parsed_2lcc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lcc
_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 2lcc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lcc 1
1 2lcc.mr . . XPLOR/CNS 2 distance NOE ambi 521 parsed_2lcc 1
1 2lcc.mr . . XPLOR/CNS 3 distance NOE simple 1442 parsed_2lcc 1
1 2lcc.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 100 parsed_2lcc 1
1 2lcc.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2lcc 1
1 2lcc.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lcc 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lcc
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2lcc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151.2 180.2 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2lcc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2lcc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2lcc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2lcc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2lcc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2lcc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2lcc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2lcc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2lcc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.0 -99.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2lcc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2lcc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -104.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2lcc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2lcc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2lcc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2lcc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2lcc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2lcc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2lcc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2lcc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2lcc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.0 181.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2lcc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2lcc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2lcc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -104.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2lcc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2lcc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2lcc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2lcc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2lcc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2lcc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2lcc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2lcc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -99.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2lcc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2lcc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2lcc 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2lcc 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2lcc 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2lcc 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -109.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2lcc 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2lcc 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2lcc 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 155.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2lcc 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2lcc 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 155.0 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2lcc 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_2lcc 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_2lcc 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -99.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2lcc 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2lcc 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.0 -119.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_2lcc 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 165.0 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_2lcc 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2lcc 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 154.9 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2lcc 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -52.2 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2lcc 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108 168 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2lcc 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.4 -85.4 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2lcc 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.8 165.8 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2lcc 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.1 -38.1 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2lcc 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 -7 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2lcc 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151 -71 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2lcc 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.6 160.6 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2lcc 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.6 -104.6 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2lcc 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 180 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2lcc 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.5 -49.5 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2lcc 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.6 152.6 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2lcc 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.5 -61.5 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2lcc 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.75 -3.75 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2lcc 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -203.1 -99.1 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2lcc 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.5 182.5 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2lcc 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31.9 71.9 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2lcc 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.8 63.8 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2lcc 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43 103 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2lcc 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26 34 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2lcc 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.90 -53.80 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2lcc 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.2 152.2 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2lcc 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.2 5.8 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2lcc 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.9 192.9 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2lcc 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -38.7 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2lcc 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.25 3.75 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2lcc 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.8 -48.8 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2lcc 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.6 10.4 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2lcc 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117 -57 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_2lcc 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.5 184.5 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_2lcc 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.4 -37.4 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2lcc 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 -13.6 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2lcc 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2lcc 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.75 -2.75 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2lcc 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.15 -75.15 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2lcc 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.4 11.6 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2lcc 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -109 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2lcc 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2lcc 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169 -109 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2lcc 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2lcc 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.5 -51.5 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2lcc 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 159 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_2lcc 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.5 -36.5 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2lcc 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.2 180.2 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2lcc 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.1 -39.1 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2lcc 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.5 162.1 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2lcc 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.30 -37.00 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2lcc 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.5 6.5 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2lcc 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
;
##:12-16,23-29,32-35,38-44,54-57 ss####
12-17
;
1 1 3 7 parsed_2lcc 1
2 "10-8-19, 165.7 +- 7.2" 7 65 7 87 parsed_2lcc 1
3 23-27 34 1 34 8 parsed_2lcc 1
4 "10-8-6; ori: -139 +- 30" 36 69 36 93 parsed_2lcc 1
5
;
10-8-19 A27
32-35
;
58 64 60 8 parsed_2lcc 1
6 "10-8-6; ori: -139" 67 71 67 89 parsed_2lcc 1
7 38-44 81 1 81 7 parsed_2lcc 1
8 10-8-20 120 62 120 70 parsed_2lcc 1
9 10-8-20 123 67 123 75 parsed_2lcc 1
10 "10-8-6,ori: -139" 128 69 128 87 parsed_2lcc 1
11
;
!added at 2010-7-31, according to talos
THR 8
;
134 1 135 8 parsed_2lcc 1
12 "10-8-6, pre:-57.2" 137 65 137 83 parsed_2lcc 1
13 "THR 10" 141 1 141 9 parsed_2lcc 1
14 "10-8-6, pre:-67.2" 143 68 143 86 parsed_2lcc 1
15 "ARG 18" 147 1 147 9 parsed_2lcc 1
16
;
GLY19 WARN !!
assign (resid 18 and name c) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -72 96 2
assign (resid 18 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 19 and name n) 1.0 160 58 2
LYS 20
;
153 1 159 9 parsed_2lcc 1
17
;
THR 21
assign (resid 20 and name c) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -97.6 15 2 !10-8-13, T21 10-8-18
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 -2.949 15 2 !10-8-13, T21 10-8-18
GLN 22
;
165 1 171 9 parsed_2lcc 1
18 "10-8-19, ori:-111 70, -139 +- 30" 173 66 173 99 parsed_2lcc 1
19
;
10-8-18, ori:130.6 24.4
Ser28
;
175 63 177 8 parsed_2lcc 1
20 "10-8-19, S28" 179 72 179 85 parsed_2lcc 1
21
;
10-8-19, S28
ILE 29
;
181 67 183 9 parsed_2lcc 1
22 "10-8-19, I29" 185 69 185 82 parsed_2lcc 1
23
;
10-8-19, I29
LYS 30
;
187 64 189 9 parsed_2lcc 1
24 "10-8-19, K30" 191 69 191 82 parsed_2lcc 1
25
;
10-8-19, K30
SER 31
;
193 65 195 9 parsed_2lcc 1
26 "ASP36 10-8-16" 201 1 201 17 parsed_2lcc 1
27 "GLY 37 WARN !! # added at 2010-8-16" 207 1 207 41 parsed_2lcc 1
28 "TYR 45 # added at 2010-8-2" 213 1 213 30 parsed_2lcc 1
29
;
10-8-23 130.2+-20
ASN 49 # added at 2010-8-19
;
217 68 219 31 parsed_2lcc 1
30 "VAL 50 # added at 2010-8-19" 225 1 225 31 parsed_2lcc 1
31 "10-8-23 18" 227 69 227 81 parsed_2lcc 1
32 "ARG 51 10-8-19" 231 1 231 18 parsed_2lcc 1
33 "10-8-23 20" 233 66 233 78 parsed_2lcc 1
34
;
10-8-23 -22.6+-25
TYR 52, WARN !! 10-8-24
assign (resid 51 and name c) (resid 52 and name n)
(resid 52 and name ca) (resid 52 and name c) 1.0 -97.6 30 2 ! 10-8-23, ori: 33
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name c) (resid 53 and name n) 1.0 -5.9 30 2 ! 10-8-23, ori: 30
ASP 53 # add 2010-8-23
assign (resid 52 and name c) (resid 53 and name n)
(resid 53 and name ca) (resid 53 and name c) 1.0 -80.7 40 2 !10-8-23, -75.7+-40
assign (resid 53 and name n) (resid 53 and name ca)
(resid 53 and name c) (resid 54 and name n) 1.0 132.1 54 2 !D:27.278
LYS 57
;
235 62 249 9 parsed_2lcc 1
35 "10-8-6, ori: -77 +- 20" 251 65 251 88 parsed_2lcc 1
36 "ALA 58" 255 1 255 9 parsed_2lcc 1
37 "ASP 59" 261 1 261 9 parsed_2lcc 1
38 "ARG 60" 267 1 267 9 parsed_2lcc 1
39 "ILE 61" 273 1 273 9 parsed_2lcc 1
40 "10-8-6, ori:-76.1 70" 275 67 275 88 parsed_2lcc 1
41
;
10-8-6, ori: 126.15 22.05
ILE 62
;
277 61 279 9 parsed_2lcc 1
42 "10-8-6, ori:-102.9 34.4" 281 66 281 90 parsed_2lcc 1
43
;
10-8-6, ori:122.75 21.85
TRP 63 del 10-8-13
;
283 61 285 22 parsed_2lcc 1
44 "10-8-6, ori:81.55 19.44" 287 69 287 93 parsed_2lcc 1
45
;
10-8-6, ori:129.15 24.37
PRO 64
;
289 66 291 9 parsed_2lcc 1
46
;
10-8-20
LEU 65 , 10-8-10 WARN !!
assign (resid 64 and name c) (resid 65 and name n)
(resid 65 and name ca) (resid 65 and name c) 1.0 -98.5 30 2
assign (resid 65 and name n) (resid 65 and name ca)
(resid 65 and name c) (resid 66 and name n) 1.0 135.6 30 2
ASP 66, 10-8-10 WARN !!
assign (resid 65 and name c) (resid 66 and name n)
(resid 66 and name ca) (resid 66 and name c) 1.0 -98 70 2
assign (resid 66 and name n) (resid 66 and name ca)
(resid 66 and name c) (resid 67 and name n) 1.0 132.5 30 2
GLU 70, 10-8-20 WARN !!
assign (resid 69 and name c) (resid 70 and name n)
(resid 70 and name ca) (resid 70 and name c) 1.0 -105.6 30 2
assign (resid 70 and name n) (resid 70 and name ca)
(resid 70 and name c) (resid 71 and name n) 1.0 3.5 30 2
HIS 71
;
295 67 315 9 parsed_2lcc 1
47 "HIS 72" 321 1 321 9 parsed_2lcc 1
stop_
save_
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