NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
39029 |
1sjq   |
6178 | cing | 2-parsed | STAR | dihedral angle | 113 |
data_1sjq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sjq
_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_1sjq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sjq
_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 1sjq "Master copy" parsed_1sjq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sjq
_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 1sjq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sjq 1
1 1sjq.mr . . XPLOR/CNS 2 distance NOE ambi 142 parsed_1sjq 1
1 1sjq.mr . . XPLOR/CNS 3 distance NOE simple 762 parsed_1sjq 1
1 1sjq.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 58 parsed_1sjq 1
1 1sjq.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1sjq 1
1 1sjq.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 113 parsed_1sjq 1
1 1sjq.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1sjq 1
1 1sjq.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sjq 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1sjq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138 -88 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1sjq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 163 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_1sjq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127 -53 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1sjq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102 152 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_1sjq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -79 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1sjq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106 156 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_1sjq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133 -83 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1sjq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98 148 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_1sjq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137 -67 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1sjq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110 200 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_1sjq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1sjq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -11 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_1sjq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1sjq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -16 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_1sjq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1sjq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -18 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_1sjq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -37 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1sjq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -18 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_1sjq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -37 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1sjq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 1 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1sjq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -35 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1sjq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -10 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1sjq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -50 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1sjq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 165 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1sjq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137 -87 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1sjq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82 154 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1sjq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189 -69 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1sjq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 174 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1sjq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -81 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1sjq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 146 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1sjq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -85 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1sjq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99 149 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1sjq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -59 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1sjq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95 145 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1sjq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133 -57 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1sjq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39 213 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1sjq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159 -109 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1sjq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109 187 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_1sjq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164 -110 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1sjq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 178 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_1sjq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -98 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1sjq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116 168 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_1sjq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167 -103 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1sjq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 155 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1sjq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144 -94 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1sjq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 163 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1sjq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1sjq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -9 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_1sjq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1sjq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -16 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_1sjq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -37 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1sjq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -18 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_1sjq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -38 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1sjq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -16 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_1sjq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -38 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1sjq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -20 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_1sjq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -41 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1sjq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -17 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_1sjq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -33 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1sjq 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -15 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_1sjq 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1sjq 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -16 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_1sjq 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -38 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1sjq 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -14 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1sjq 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -36 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1sjq 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -15 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_1sjq 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112 -30 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1sjq 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 20 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_1sjq 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142 -70 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1sjq 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102 156 . . 75 . n . 75 . ca . 75 . c . 76 . n parsed_1sjq 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -52 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1sjq 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 155 . . 76 . n . 76 . ca . 76 . c . 77 . n parsed_1sjq 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -71 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1sjq 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 180 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_1sjq 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -76 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1sjq 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 151 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_1sjq 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -71 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_1sjq 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98 160 . . 82 . n . 82 . ca . 82 . c . 83 . n parsed_1sjq 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97 -47 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_1sjq 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 179 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_1sjq 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153 -57 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1sjq 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108 188 . . 84 . n . 84 . ca . 84 . c . 85 . n parsed_1sjq 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126 -60 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_1sjq 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104 154 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_1sjq 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -79 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1sjq 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 189 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_1sjq 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152 -48 . . 88 . c . 89 . n . 89 . ca . 89 . c parsed_1sjq 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81 189 . . 89 . n . 89 . ca . 89 . c . 90 . n parsed_1sjq 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155 -39 . . 92 . c . 93 . n . 93 . ca . 93 . c parsed_1sjq 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 189 . . 93 . n . 93 . ca . 93 . c . 94 . n parsed_1sjq 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114 -46 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_1sjq 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 150 . . 94 . n . 94 . ca . 94 . c . 95 . n parsed_1sjq 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139 -55 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_1sjq 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104 162 . . 95 . n . 95 . ca . 95 . c . 96 . n parsed_1sjq 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127 -69 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_1sjq 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 155 . . 96 . n . 96 . ca . 96 . c . 97 . n parsed_1sjq 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . N . 20 . CA . 20 . CB . 20 . CG parsed_1sjq 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 24 . N . 24 . CA . 24 . CB . 24 . CG parsed_1sjq 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 33 . N . 33 . CA . 33 . CB . 33 . CG1 parsed_1sjq 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG parsed_1sjq 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG1 parsed_1sjq 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG parsed_1sjq 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_1sjq 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_1sjq 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 54 . N . 54 . CA . 54 . CB . 54 . CG parsed_1sjq 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . N . 56 . CA . 56 . CB . 56 . CG parsed_1sjq 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 59 . N . 59 . CA . 59 . CB . 59 . CG parsed_1sjq 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_1sjq 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 62 . N . 62 . CA . 62 . CB . 62 . CG parsed_1sjq 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 69 . N . 69 . CA . 69 . CB . 69 . CG1 parsed_1sjq 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 71 . N . 71 . CA . 71 . CB . 71 . CG parsed_1sjq 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 85 . N . 85 . CA . 85 . CB . 85 . CG parsed_1sjq 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 88 . N . 88 . CA . 88 . CB . 88 . CG parsed_1sjq 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 "18 -113 25" 2 68 2 80 parsed_1sjq 1
2 "18 130 33" 4 66 4 77 parsed_1sjq 1
3 "19 -90 37" 6 67 6 78 parsed_1sjq 1
4 "19 127 25" 8 66 8 77 parsed_1sjq 1
5 "20 -112 33" 10 68 10 80 parsed_1sjq 1
6 "20 131 25" 12 66 12 77 parsed_1sjq 1
7 "21 -108 25" 14 68 14 80 parsed_1sjq 1
8 "21 123 25" 16 66 16 77 parsed_1sjq 1
9 "22 -102 35" 18 68 18 80 parsed_1sjq 1
10 "22 155 45" 20 66 20 77 parsed_1sjq 1
11 "31 -65 25" 22 67 22 78 parsed_1sjq 1
12 "31 -36 25" 24 66 24 77 parsed_1sjq 1
13 "32 -65 25" 26 67 26 78 parsed_1sjq 1
14 "32 -41 25" 28 66 28 77 parsed_1sjq 1
15 "33 -64 25" 30 67 30 78 parsed_1sjq 1
16 "33 -43 25" 32 66 32 77 parsed_1sjq 1
17 "34 -62 25" 34 67 34 78 parsed_1sjq 1
18 "34 -43 25" 36 66 36 77 parsed_1sjq 1
19 "38 -62 25" 38 67 38 78 parsed_1sjq 1
20 "38 -30 31" 40 66 40 77 parsed_1sjq 1
21 "39 -60 25" 42 67 42 78 parsed_1sjq 1
22 "39 -35 25" 44 66 44 77 parsed_1sjq 1
23 "42 -100 50" 46 68 46 80 parsed_1sjq 1
24 "42 126 39" 48 66 48 77 parsed_1sjq 1
25 "43 -112 25" 50 68 50 80 parsed_1sjq 1
26 "43 118 36" 52 66 52 77 parsed_1sjq 1
27 "45 -129 60" 54 68 54 80 parsed_1sjq 1
28 "45 147 27" 56 66 56 77 parsed_1sjq 1
29 "46 -118 37" 58 68 58 80 parsed_1sjq 1
30 "46 121 25" 60 66 60 77 parsed_1sjq 1
31 "47 -113 28" 62 68 62 80 parsed_1sjq 1
32 "47 124 25" 64 66 64 77 parsed_1sjq 1
33 "48 -100 41" 66 68 66 80 parsed_1sjq 1
34 "48 120 25" 68 66 68 77 parsed_1sjq 1
35 "49 -95 38" 70 67 70 78 parsed_1sjq 1
36 "49 126 87" 72 66 72 77 parsed_1sjq 1
37 "54 -134 25" 74 68 74 80 parsed_1sjq 1
38 "54 148 39" 76 66 76 77 parsed_1sjq 1
39 "55 -137 27" 78 68 78 80 parsed_1sjq 1
40 "55 149 29" 80 66 80 77 parsed_1sjq 1
41 "56 -123 25" 82 68 82 80 parsed_1sjq 1
42 "56 142 26" 84 66 84 77 parsed_1sjq 1
43 "57 -135 32" 86 68 86 80 parsed_1sjq 1
44 "57 130 25" 88 66 88 77 parsed_1sjq 1
45 "58 -119 25" 90 68 90 80 parsed_1sjq 1
46 "58 133 30" 92 66 92 77 parsed_1sjq 1
47 "62 -64 25" 94 67 94 78 parsed_1sjq 1
48 "62 -34 25" 96 66 96 77 parsed_1sjq 1
49 "63 -64 25" 98 67 98 78 parsed_1sjq 1
50 "63 -41 25" 100 66 100 77 parsed_1sjq 1
51 "64 -62 25" 102 67 102 78 parsed_1sjq 1
52 "64 -43 25" 104 66 104 77 parsed_1sjq 1
53 "65 -63 25" 106 67 106 78 parsed_1sjq 1
54 "65 -41 25" 108 66 108 77 parsed_1sjq 1
55 "66 -63 25" 110 67 110 78 parsed_1sjq 1
56 "66 -45 25" 112 66 112 77 parsed_1sjq 1
57 "67 -66 25" 114 67 114 78 parsed_1sjq 1
58 "67 -42 25" 116 66 116 77 parsed_1sjq 1
59 "68 -58 25" 118 67 118 78 parsed_1sjq 1
60 "68 -40 25" 120 66 120 77 parsed_1sjq 1
61 "69 -64 25" 122 67 122 78 parsed_1sjq 1
62 "69 -41 25" 124 66 124 77 parsed_1sjq 1
63 "70 -63 25" 126 67 126 78 parsed_1sjq 1
64 "70 -39 25" 128 66 128 77 parsed_1sjq 1
65 "71 -61 25" 130 67 130 78 parsed_1sjq 1
66 "71 -40 25" 132 66 132 77 parsed_1sjq 1
67 "72 -71 41" 134 67 134 78 parsed_1sjq 1
68 "72 -25 45" 136 66 136 77 parsed_1sjq 1
69 "75 -106 36" 138 68 138 80 parsed_1sjq 1
70 "75 129 27" 140 66 140 77 parsed_1sjq 1
71 "76 -107 55" 142 68 142 80 parsed_1sjq 1
72 "76 121 34" 144 66 144 77 parsed_1sjq 1
73 "78 -114 43" 146 68 146 80 parsed_1sjq 1
74 "78 150 30" 148 66 148 77 parsed_1sjq 1
75 "79 -119 43" 150 68 150 80 parsed_1sjq 1
76 "79 126 25" 152 66 152 77 parsed_1sjq 1
77 "82 -113 42" 154 68 154 80 parsed_1sjq 1
78 "82 129 31" 156 66 156 77 parsed_1sjq 1
79 "83 -72 25" 158 67 158 78 parsed_1sjq 1
80 "83 138 41" 160 66 160 77 parsed_1sjq 1
81 "84 -105 48" 162 68 162 80 parsed_1sjq 1
82 "84 148 40" 164 66 164 77 parsed_1sjq 1
83 "86 -93 33" 166 67 166 78 parsed_1sjq 1
84 "86 129 25" 168 66 168 77 parsed_1sjq 1
85 "87 -118 39" 170 68 170 80 parsed_1sjq 1
86 "87 146 43" 172 66 172 77 parsed_1sjq 1
87 "89 -100 52" 174 68 174 80 parsed_1sjq 1
88 "89 135 54" 176 66 176 77 parsed_1sjq 1
89 "93 -97 58" 178 67 178 78 parsed_1sjq 1
90 "93 138 51" 180 66 180 77 parsed_1sjq 1
91 "94 -80 34" 182 67 182 78 parsed_1sjq 1
92 "94 125 25" 184 66 184 77 parsed_1sjq 1
93 "95 -97 42" 186 67 186 78 parsed_1sjq 1
94 "95 133 29" 188 66 188 77 parsed_1sjq 1
95 "96 -98 29" 190 67 190 78 parsed_1sjq 1
96
;
96 126 29
chi1 dihedrals below
;
192 66 194 22 parsed_1sjq 1
97 HIS 197 79 197 83 parsed_1sjq 1
98 LEU 199 79 199 83 parsed_1sjq 1
99 VAL 201 80 201 84 parsed_1sjq 1
100 LEU 203 79 203 83 parsed_1sjq 1
101 VAL 205 80 205 84 parsed_1sjq 1
102 LEU 207 79 207 83 parsed_1sjq 1
103 LEU 209 79 209 83 parsed_1sjq 1
104 MET 211 79 211 83 parsed_1sjq 1
105 GLN 213 79 213 83 parsed_1sjq 1
106 PHE 215 79 215 83 parsed_1sjq 1
107 MET 217 79 217 83 parsed_1sjq 1
108 ASN 219 79 219 83 parsed_1sjq 1
109 GLU 221 79 221 83 parsed_1sjq 1
110 VAL 223 80 223 84 parsed_1sjq 1
111 TYR 225 79 225 83 parsed_1sjq 1
112 TYR 227 79 227 83 parsed_1sjq 1
113 PHE 229 79 229 83 parsed_1sjq 1
stop_
save_
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