NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
53905 |
2v37   |
7268 | cing | 2-parsed | STAR | dihedral angle | 135 |
data_2v37_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2v37
_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_2v37 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2v37
_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 2v37 "Master copy" parsed_2v37
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2v37
_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 2v37.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2v37 1
1 2v37.mr . . XPLOR/CNS 2 distance NOE simple 3883 parsed_2v37 1
1 2v37.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 135 parsed_2v37 1
1 2v37.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2v37 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2v37
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 3 . C A 4 . N A 4 . CA A 4 . C parsed_2v37 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 4 . C A 5 . N A 5 . CA A 5 . C parsed_2v37 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 6 . C A 7 . N A 7 . CA A 7 . C parsed_2v37 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 7 . C A 8 . N A 8 . CA A 8 . C parsed_2v37 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 8 . C A 9 . N A 9 . CA A 9 . C parsed_2v37 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 16 . C A 17 . N A 17 . CA A 17 . C parsed_2v37 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 18 . C A 19 . N A 19 . CA A 19 . C parsed_2v37 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 20 . C A 21 . N A 21 . CA A 21 . C parsed_2v37 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 23 . C A 24 . N A 24 . CA A 24 . C parsed_2v37 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 24 . C A 25 . N A 25 . CA A 25 . C parsed_2v37 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 33 . C A 34 . N A 34 . CA A 34 . C parsed_2v37 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 34 . C A 35 . N A 35 . CA A 35 . C parsed_2v37 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 35 . C A 36 . N A 36 . CA A 36 . C parsed_2v37 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 36 . C A 37 . N A 37 . CA A 37 . C parsed_2v37 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 37 . C A 38 . N A 38 . CA A 38 . C parsed_2v37 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 41 . C A 42 . N A 42 . CA A 42 . C parsed_2v37 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 43 . C A 44 . N A 44 . CA A 44 . C parsed_2v37 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 49 . C A 50 . N A 50 . CA A 50 . C parsed_2v37 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 50 . C A 51 . N A 51 . CA A 51 . C parsed_2v37 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 51 . C A 52 . N A 52 . CA A 52 . C parsed_2v37 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 54 . C A 55 . N A 55 . CA A 55 . C parsed_2v37 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 55 . C A 56 . N A 56 . CA A 56 . C parsed_2v37 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 58 . C A 59 . N A 59 . CA A 59 . C parsed_2v37 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 59 . C A 60 . N A 60 . CA A 60 . C parsed_2v37 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 60 . C A 61 . N A 61 . CA A 61 . C parsed_2v37 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 64 . C A 65 . N A 65 . CA A 65 . C parsed_2v37 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 65 . C A 66 . N A 66 . CA A 66 . C parsed_2v37 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 68 . C A 69 . N A 69 . CA A 69 . C parsed_2v37 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 71 . C A 72 . N A 72 . CA A 72 . C parsed_2v37 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 72 . C A 73 . N A 73 . CA A 73 . C parsed_2v37 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 73 . C A 74 . N A 74 . CA A 74 . C parsed_2v37 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 74 . C A 75 . N A 75 . CA A 75 . C parsed_2v37 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 75 . C A 76 . N A 76 . CA A 76 . C parsed_2v37 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 76 . C A 77 . N A 77 . CA A 77 . C parsed_2v37 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 77 . C A 78 . N A 78 . CA A 78 . C parsed_2v37 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 78 . C A 79 . N A 79 . CA A 79 . C parsed_2v37 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 79 . C A 80 . N A 80 . CA A 80 . C parsed_2v37 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 80 . C A 81 . N A 81 . CA A 81 . C parsed_2v37 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 82 . C A 83 . N A 83 . CA A 83 . C parsed_2v37 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 86 . C A 87 . N A 87 . CA A 87 . C parsed_2v37 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 87 . C A 88 . N A 88 . CA A 88 . C parsed_2v37 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 92 . C A 93 . N A 93 . CA A 93 . C parsed_2v37 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 93 . C A 94 . N A 94 . CA A 94 . C parsed_2v37 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 94 . C A 95 . N A 95 . CA A 95 . C parsed_2v37 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 95 . C A 96 . N A 96 . CA A 96 . C parsed_2v37 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 96 . C A 97 . N A 97 . CA A 97 . C parsed_2v37 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 97 . C A 98 . N A 98 . CA A 98 . C parsed_2v37 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 25 . C A 26 . N A 26 . CA A 26 . C parsed_2v37 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . A 52 . C A 53 . N A 53 . CA A 53 . C parsed_2v37 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . A 26 . C A 27 . N A 27 . CA A 27 . C parsed_2v37 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . A 30 . C A 31 . N A 31 . CA A 31 . C parsed_2v37 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . A 53 . C A 54 . N A 54 . CA A 54 . C parsed_2v37 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . A 10 . C A 11 . N A 11 . CA A 11 . C parsed_2v37 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . A 12 . C A 13 . N A 13 . CA A 13 . C parsed_2v37 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . A 22 . C A 23 . N A 23 . CA A 23 . C parsed_2v37 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . A 28 . C A 29 . N A 29 . CA A 29 . C parsed_2v37 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -30.0 . A 70 . C A 71 . N A 71 . CA A 71 . C parsed_2v37 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 4 . N A 4 . CA A 4 . C A 5 . N parsed_2v37 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 5 . N A 5 . CA A 5 . C A 6 . N parsed_2v37 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 7 . N A 7 . CA A 7 . C A 8 . N parsed_2v37 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 8 . N A 8 . CA A 8 . C A 9 . N parsed_2v37 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 9 . N A 9 . CA A 9 . C A 10 . N parsed_2v37 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 17 . N A 17 . CA A 17 . C A 18 . N parsed_2v37 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 19 . N A 19 . CA A 19 . C A 20 . N parsed_2v37 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 24 . N A 24 . CA A 24 . C A 25 . N parsed_2v37 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 25 . N A 25 . CA A 25 . C A 26 . N parsed_2v37 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 34 . N A 34 . CA A 34 . C A 35 . N parsed_2v37 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 35 . N A 35 . CA A 35 . C A 36 . N parsed_2v37 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 36 . N A 36 . CA A 36 . C A 37 . N parsed_2v37 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 37 . N A 37 . CA A 37 . C A 38 . N parsed_2v37 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 38 . N A 38 . CA A 38 . C A 39 . N parsed_2v37 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 44 . N A 44 . CA A 44 . C A 45 . N parsed_2v37 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 50 . N A 50 . CA A 50 . C A 51 . N parsed_2v37 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 51 . N A 51 . CA A 51 . C A 52 . N parsed_2v37 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 52 . N A 52 . CA A 52 . C A 53 . N parsed_2v37 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 59 . N A 59 . CA A 59 . C A 60 . N parsed_2v37 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 60 . N A 60 . CA A 60 . C A 61 . N parsed_2v37 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 61 . N A 61 . CA A 61 . C A 62 . N parsed_2v37 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 65 . N A 65 . CA A 65 . C A 66 . N parsed_2v37 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 66 . N A 66 . CA A 66 . C A 67 . N parsed_2v37 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 72 . N A 72 . CA A 72 . C A 73 . N parsed_2v37 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 73 . N A 73 . CA A 73 . C A 74 . N parsed_2v37 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 74 . N A 74 . CA A 74 . C A 75 . N parsed_2v37 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 75 . N A 75 . CA A 75 . C A 76 . N parsed_2v37 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 76 . N A 76 . CA A 76 . C A 77 . N parsed_2v37 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 77 . N A 77 . CA A 77 . C A 78 . N parsed_2v37 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 78 . N A 78 . CA A 78 . C A 79 . N parsed_2v37 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 79 . N A 79 . CA A 79 . C A 80 . N parsed_2v37 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 80 . N A 80 . CA A 80 . C A 81 . N parsed_2v37 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 81 . N A 81 . CA A 81 . C A 82 . N parsed_2v37 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 88 . N A 88 . CA A 88 . C A 89 . N parsed_2v37 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 93 . N A 93 . CA A 93 . C A 94 . N parsed_2v37 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 94 . N A 94 . CA A 94 . C A 95 . N parsed_2v37 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 95 . N A 95 . CA A 95 . C A 96 . N parsed_2v37 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 96 . N A 96 . CA A 96 . C A 97 . N parsed_2v37 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 97 . N A 97 . CA A 97 . C A 98 . N parsed_2v37 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 98 . N A 98 . CA A 98 . C A 99 . N parsed_2v37 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 100 . N A 100 . CA A 100 . C A 101 . N parsed_2v37 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 26 . N A 26 . CA A 26 . C A 27 . N parsed_2v37 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 170.0 . A 53 . N A 53 . CA A 53 . C A 54 . N parsed_2v37 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 10.0 . A 27 . N A 27 . CA A 27 . C A 28 . N parsed_2v37 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 10.0 . A 31 . N A 31 . CA A 31 . C A 32 . N parsed_2v37 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 10.0 . A 54 . N A 54 . CA A 54 . C A 55 . N parsed_2v37 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 8 . N A 8 . CA A 8 . CB A 8 . CG parsed_2v37 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 14 . N A 14 . CA A 14 . CB A 14 . CG parsed_2v37 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 26 . N A 26 . CA A 26 . CB A 26 . CG parsed_2v37 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 29 . N A 29 . CA A 29 . CB A 29 . CG parsed_2v37 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 47 . N A 47 . CA A 47 . CB A 47 . CG parsed_2v37 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 87 . N A 87 . CA A 87 . CB A 87 . CG parsed_2v37 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 99 . N A 99 . CA A 99 . CB A 99 . CG parsed_2v37 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 104 . N A 104 . CA A 104 . CB A 104 . CG parsed_2v37 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 17 . N A 17 . CA A 17 . CB A 17 . CG parsed_2v37 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 35 . N A 35 . CA A 35 . CB A 35 . CG parsed_2v37 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 50 . N A 50 . CA A 50 . CB A 50 . CG parsed_2v37 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 73 . N A 73 . CA A 73 . CB A 73 . CG parsed_2v37 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 76 . N A 76 . CA A 76 . CB A 76 . CG parsed_2v37 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 4 . N A 4 . CA A 4 . CB A 4 . CG1 parsed_2v37 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 21 . N A 21 . CA A 21 . CB A 21 . CG1 parsed_2v37 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 24 . N A 24 . CA A 24 . CB A 24 . CG1 parsed_2v37 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 42 . N A 42 . CA A 42 . CB A 42 . CG1 parsed_2v37 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 59 . N A 59 . CA A 59 . CB A 59 . CG1 parsed_2v37 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 61 . N A 61 . CA A 61 . CB A 61 . CG1 parsed_2v37 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 91 . N A 91 . CA A 91 . CB A 91 . CG1 parsed_2v37 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 95 . N A 95 . CA A 95 . CB A 95 . CG1 parsed_2v37 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 97 . N A 97 . CA A 97 . CB A 97 . CG1 parsed_2v37 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 2 . N A 2 . CA A 2 . CB A 2 . CG1 parsed_2v37 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 7 . N A 7 . CA A 7 . CB A 7 . CG1 parsed_2v37 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 9 . N A 9 . CA A 9 . CB A 9 . CG1 parsed_2v37 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 49 . N A 49 . CA A 49 . CB A 49 . CG1 parsed_2v37 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 52 . N A 52 . CA A 52 . CB A 52 . CG1 parsed_2v37 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 70 . N A 70 . CA A 70 . CB A 70 . CG1 parsed_2v37 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 96 . N A 96 . CA A 96 . CB A 96 . CG1 parsed_2v37 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . A 56 . N A 56 . CA A 56 . CB A 56 . OG1 parsed_2v37 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . A 64 . N A 64 . CA A 64 . CB A 64 . OG1 parsed_2v37 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . A 86 . N A 86 . CA A 86 . CB A 86 . OG1 parsed_2v37 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 restraints for tcad1 based on 3jhnha (>=8), 13Ca, Ha secondary shifts & talos (26,34,35,73,75,80,81,94 only the latter 2)" 2 1 2 129 parsed_2v37 1
2 "beta-sheet restraints based on initial calculations and 3Jhnha >=7.5 and Ha or Ca c.s. indicates b-s. conf. and talos" 146 1 146 120 parsed_2v37 1
3 "beta-sheet restraints based on initial calculations and Ha or Ca c.s. indicates b-s. conf. and talos" 151 1 151 103 parsed_2v37 1
4 "alpha-helix restraints based on initial calculations and the Ha,Ca c.s. and talos (for 53 only Ca c.s.alpha-like)" 157 1 157 116 parsed_2v37 1
5 "to left side of Ramachandran plot based on initial calculations" 168 1 168 66 parsed_2v37 1
6
;
! psi restraints based on 3Jhnha, talos and initial structure calculations
beta-sheet
;
186 1 188 13 parsed_2v37 1
7
;
assign (resid 21 and name N and segid A) (resid 21 and name CA and segid A)
(resid 21 and name C and segid A) (resid 22 and name N and segid A) 1.0 120.0 50.0 2
;
211 1 212 115 parsed_2v37 1
8
;
assign (resid 42 and name N and segid A) (resid 42 and name CA and segid A)
(resid 42 and name C and segid A) (resid 43 and name N and segid A) 1.0 120.0 50.0 2
;
235 1 236 115 parsed_2v37 1
9
;
assign (resid 55 and name N and segid A) (resid 55 and name CA and segid A)
(resid 55 and name C and segid A) (resid 56 and name N and segid A) 1.0 120.0 50.0 2
assign (resid 56 and name N and segid A) (resid 56 and name CA and segid A)
(resid 56 and name C and segid A) (resid 57 and name N and segid A) 1.0 120.0 50.0 2
;
250 1 254 115 parsed_2v37 1
10
;
assign (resid 69 and name N and segid A) (resid 69 and name CA and segid A)
(resid 69 and name C and segid A) (resid 70 and name N and segid A) 1.0 120.0 50.0 2
;
271 1 272 115 parsed_2v37 1
11
;
assign (resid 83 and name N and segid A) (resid 83 and name CA and segid A)
(resid 83 and name C and segid A) (resid 84 and name N and segid A) 1.0 120.0 50.0 2
assign (resid 87 and name N and segid A) (resid 87 and name CA and segid A)
(resid 87 and name C and segid A) (resid 88 and name N and segid A) 1.0 120.0 50.0 2
;
304 1 308 115 parsed_2v37 1
12 "beta-sheet restraints based on initial calculations and 3Jhnha >7.5 and Ha or Ca c.s. indicates b-s. conf." 334 1 334 109 parsed_2v37 1
13 "beta-sheet restraints based on initial calculations and Ha or Ca c.s. indicates b-s. conf., no proper 3Jhnha due to overlap" 339 1 339 126 parsed_2v37 1
14 "alpha-helix restraints based on initial calculations and the Ha,Ca c.s." 344 1 344 74 parsed_2v37 1
15 "! ch1 restraints for hexim based on 3Jab, 15N-/13C-NOE" 355 1 355 56 parsed_2v37 1
16 "! chi1 restraints for aromatic residues additionally based on 3Jcocg and 3Jncg," 381 1 381 82 parsed_2v37 1
17 "! chi1 restraints for V, I, T based on 3Jcgco and 3Jcgcn" 399 1 399 58 parsed_2v37 1
stop_
save_
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