NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
39037 |
1sjr   |
6177 | cing | 2-parsed | STAR | dihedral angle | 151 |
data_1sjr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1sjr
_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_1sjr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1sjr
_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 1sjr "Master copy" parsed_1sjr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1sjr
_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 1sjr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1sjr 1
1 1sjr.mr . . XPLOR/CNS 2 distance NOE simple 1232 parsed_1sjr 1
1 1sjr.mr . . XPLOR/CNS 3 distance NOE ambi 258 parsed_1sjr 1
1 1sjr.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 66 parsed_1sjr 1
1 1sjr.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1sjr 1
1 1sjr.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 151 parsed_1sjr 1
1 1sjr.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1sjr 1
1 1sjr.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1sjr 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1sjr
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148 -86 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1sjr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98 182 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1sjr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167 -41 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1sjr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88 168 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1sjr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141 -73 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1sjr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102 158 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1sjr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -96 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1sjr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124 174 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1sjr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138 -74 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1sjr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91 147 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1sjr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157 -83 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1sjr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107 157 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1sjr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140 -86 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1sjr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 159 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_1sjr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134 -76 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1sjr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 155 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_1sjr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137 -57 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1sjr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98 202 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_1sjr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117 -45 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1sjr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 160 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_1sjr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171 -63 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1sjr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68 184 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_1sjr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -52 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1sjr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132 200 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_1sjr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -36 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1sjr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -11 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_1sjr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -41 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1sjr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -15 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_1sjr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -42 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1sjr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -14 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_1sjr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1sjr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -15 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_1sjr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -41 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1sjr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -18 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_1sjr 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1sjr 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -12 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_1sjr 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1sjr 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 -16 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_1sjr 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -41 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1sjr 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -14 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_1sjr 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94 -44 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1sjr 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 2 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_1sjr 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122 -72 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1sjr 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 44 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1sjr 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173 -77 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1sjr 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109 159 . . 76 . n . 76 . ca . 76 . c . 77 . n parsed_1sjr 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -90 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1sjr 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 175 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_1sjr 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 -75 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1sjr 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106 178 . . 78 . n . 78 . ca . 78 . c . 79 . n parsed_1sjr 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -82 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1sjr 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 190 . . 79 . n . 79 . ca . 79 . c . 80 . n parsed_1sjr 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143 -85 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_1sjr 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 155 . . 80 . n . 80 . ca . 80 . c . 81 . n parsed_1sjr 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138 -62 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_1sjr 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102 152 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_1sjr 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163 -99 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_1sjr 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116 182 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_1sjr 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -92 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1sjr 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111 175 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_1sjr 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153 -81 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_1sjr 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 164 . . 88 . n . 88 . ca . 88 . c . 89 . n parsed_1sjr 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162 -106 . . 88 . c . 89 . n . 89 . ca . 89 . c parsed_1sjr 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 170 . . 89 . n . 89 . ca . 89 . c . 90 . n parsed_1sjr 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144 -70 . . 89 . c . 90 . n . 90 . ca . 90 . c parsed_1sjr 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 147 . . 90 . n . 90 . ca . 90 . c . 91 . n parsed_1sjr 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -89 . . 92 . c . 93 . n . 93 . ca . 93 . c parsed_1sjr 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68 194 . . 93 . n . 93 . ca . 93 . c . 94 . n parsed_1sjr 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93 -43 . . 94 . c . 95 . n . 95 . ca . 95 . c parsed_1sjr 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -12 . . 95 . n . 95 . ca . 95 . c . 96 . n parsed_1sjr 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -42 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_1sjr 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -12 . . 96 . n . 96 . ca . 96 . c . 97 . n parsed_1sjr 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -37 . . 96 . c . 97 . n . 97 . ca . 97 . c parsed_1sjr 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -15 . . 97 . n . 97 . ca . 97 . c . 98 . n parsed_1sjr 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -39 . . 97 . c . 98 . n . 98 . ca . 98 . c parsed_1sjr 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 -17 . . 98 . n . 98 . ca . 98 . c . 99 . n parsed_1sjr 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -41 . . 98 . c . 99 . n . 99 . ca . 99 . c parsed_1sjr 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -13 . . 99 . n . 99 . ca . 99 . c . 100 . n parsed_1sjr 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -40 . . 99 . c . 100 . n . 100 . ca . 100 . c parsed_1sjr 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -13 . . 100 . n . 100 . ca . 100 . c . 101 . n parsed_1sjr 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94 -42 . . 100 . c . 101 . n . 101 . ca . 101 . c parsed_1sjr 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -12 . . 101 . n . 101 . ca . 101 . c . 102 . n parsed_1sjr 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -37 . . 101 . c . 102 . n . 102 . ca . 102 . c parsed_1sjr 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -14 . . 102 . n . 102 . ca . 102 . c . 103 . n parsed_1sjr 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -52 . . 107 . c . 108 . n . 108 . ca . 108 . c parsed_1sjr 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79 189 . . 108 . n . 108 . ca . 108 . c . 109 . n parsed_1sjr 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132 -44 . . 115 . c . 116 . n . 116 . ca . 116 . c parsed_1sjr 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 166 . . 116 . n . 116 . ca . 116 . c . 117 . n parsed_1sjr 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131 -71 . . 116 . c . 117 . n . 117 . ca . 117 . c parsed_1sjr 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 153 . . 117 . n . 117 . ca . 117 . c . 118 . n parsed_1sjr 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -168 -88 . . 117 . c . 118 . n . 118 . ca . 118 . c parsed_1sjr 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113 163 . . 118 . n . 118 . ca . 118 . c . 119 . n parsed_1sjr 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137 -59 . . 119 . c . 120 . n . 120 . ca . 120 . c parsed_1sjr 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98 168 . . 120 . n . 120 . ca . 120 . c . 121 . n parsed_1sjr 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119 -51 . . 120 . c . 121 . n . 121 . ca . 121 . c parsed_1sjr 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86 200 . . 121 . n . 121 . ca . 121 . c . 122 . n parsed_1sjr 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -45 . . 121 . c . 122 . n . 122 . ca . 122 . c parsed_1sjr 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 10 . . 122 . n . 122 . ca . 122 . c . 123 . n parsed_1sjr 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110 -46 . . 122 . c . 123 . n . 123 . ca . 123 . c parsed_1sjr 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 21 . . 123 . n . 123 . ca . 123 . c . 124 . n parsed_1sjr 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -167 -63 . . 125 . c . 126 . n . 126 . ca . 126 . c parsed_1sjr 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109 169 . . 126 . n . 126 . ca . 126 . c . 127 . n parsed_1sjr 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146 -70 . . 127 . c . 128 . n . 128 . ca . 128 . c parsed_1sjr 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93 155 . . 128 . n . 128 . ca . 128 . c . 129 . n parsed_1sjr 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172 -102 . . 129 . c . 130 . n . 130 . ca . 130 . c parsed_1sjr 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 180 . . 130 . n . 130 . ca . 130 . c . 131 . n parsed_1sjr 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133 -81 . . 130 . c . 131 . n . 131 . ca . 131 . c parsed_1sjr 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93 155 . . 131 . n . 131 . ca . 131 . c . 132 . n parsed_1sjr 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194 -80 . . 134 . c . 135 . n . 135 . ca . 135 . c parsed_1sjr 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103 179 . . 135 . n . 135 . ca . 135 . c . 136 . n parsed_1sjr 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166 -88 . . 135 . c . 136 . n . 136 . ca . 136 . c parsed_1sjr 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 176 . . 136 . n . 136 . ca . 136 . c . 137 . n parsed_1sjr 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 46 . N . 46 . CA . 46 . CB . 46 . CG1 parsed_1sjr 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 47 . N . 47 . CA . 47 . CB . 47 . CG parsed_1sjr 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 48 . N . 48 . CA . 48 . CB . 48 . CG parsed_1sjr 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 49 . N . 49 . CA . 49 . CB . 49 . CG1 parsed_1sjr 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 50 . N . 50 . CA . 50 . CB . 50 . CG1 parsed_1sjr 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 52 . N . 52 . CA . 52 . CB . 52 . CG parsed_1sjr 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1sjr 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG parsed_1sjr 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG parsed_1sjr 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 64 . N . 64 . CA . 64 . CB . 64 . CG parsed_1sjr 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 67 . N . 67 . CA . 67 . CB . 67 . CG parsed_1sjr 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 69 . N . 69 . CA . 69 . CB . 69 . CG parsed_1sjr 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . N . 70 . CA . 70 . CB . 70 . CG parsed_1sjr 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 72 . N . 72 . CA . 72 . CB . 72 . OG1 parsed_1sjr 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 73 . N . 73 . CA . 73 . CB . 73 . CG1 parsed_1sjr 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 74 . N . 74 . CA . 74 . CB . 74 . CG parsed_1sjr 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 75 . N . 75 . CA . 75 . CB . 75 . CG parsed_1sjr 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . N . 76 . CA . 76 . CB . 76 . CG1 parsed_1sjr 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 77 . N . 77 . CA . 77 . CB . 77 . CG1 parsed_1sjr 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 78 . N . 78 . CA . 78 . CB . 78 . OG1 parsed_1sjr 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 79 . N . 79 . CA . 79 . CB . 79 . CG parsed_1sjr 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 81 . N . 81 . CA . 81 . CB . 81 . CG parsed_1sjr 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 86 . N . 86 . CA . 86 . CB . 86 . CG parsed_1sjr 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 90 . N . 90 . CA . 90 . CB . 90 . CG parsed_1sjr 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 98 . N . 98 . CA . 98 . CB . 98 . CG parsed_1sjr 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 99 . N . 99 . CA . 99 . CB . 99 . CG parsed_1sjr 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 101 . N . 101 . CA . 101 . CB . 101 . CG parsed_1sjr 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 102 . N . 102 . CA . 102 . CB . 102 . CG parsed_1sjr 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 104 . N . 104 . CA . 104 . CB . 104 . CG parsed_1sjr 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 109 . N . 109 . CA . 109 . CB . 109 . CG1 parsed_1sjr 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 110 . N . 110 . CA . 110 . CB . 110 . CG parsed_1sjr 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 115 . N . 115 . CA . 115 . CB . 115 . OG1 parsed_1sjr 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 118 . N . 118 . CA . 118 . CB . 118 . CG1 parsed_1sjr 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 120 . N . 120 . CA . 120 . CB . 120 . CG parsed_1sjr 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 121 . N . 121 . CA . 121 . CB . 121 . OG parsed_1sjr 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 130 . N . 130 . CA . 130 . CB . 130 . CG parsed_1sjr 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 134 . N . 134 . CA . 134 . CB . 134 . CG parsed_1sjr 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 136 . N . 136 . CA . 136 . CB . 136 . CG parsed_1sjr 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 138 . N . 138 . CA . 138 . CB . 138 . CG parsed_1sjr 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 "44 -117 31" 2 68 2 80 parsed_1sjr 1
2 "44 140 42" 4 66 4 77 parsed_1sjr 1
3 "45 -104 63" 6 68 6 80 parsed_1sjr 1
4 "45 128 40" 8 66 8 77 parsed_1sjr 1
5 "46 -107 34" 10 68 10 80 parsed_1sjr 1
6 "46 130 28" 12 66 12 77 parsed_1sjr 1
7 "47 -123 27" 14 68 14 80 parsed_1sjr 1
8 "47 149 25" 16 66 16 77 parsed_1sjr 1
9 "48 -106 32" 18 68 18 80 parsed_1sjr 1
10 "48 119 28" 20 66 20 77 parsed_1sjr 1
11 "49 -120 37" 22 68 22 80 parsed_1sjr 1
12 "49 132 25" 24 66 24 77 parsed_1sjr 1
13 "50 -113 27" 26 68 26 80 parsed_1sjr 1
14 "50 131 28" 28 66 28 77 parsed_1sjr 1
15 "51 -105 29" 30 68 30 80 parsed_1sjr 1
16 "51 130 25" 32 66 32 77 parsed_1sjr 1
17 "52 -97 40" 34 67 34 78 parsed_1sjr 1
18 "52 150 52" 36 66 36 77 parsed_1sjr 1
19 "54 -81 36" 38 67 38 78 parsed_1sjr 1
20 "54 127 33" 40 66 40 77 parsed_1sjr 1
21 "56 -117 54" 42 68 42 80 parsed_1sjr 1
22 "56 126 58" 44 66 44 77 parsed_1sjr 1
23 "59 -106 54" 46 68 46 80 parsed_1sjr 1
24 "59 166 34" 48 66 48 77 parsed_1sjr 1
25 "60 -61 25" 50 67 50 78 parsed_1sjr 1
26 "60 -36 25" 52 66 52 77 parsed_1sjr 1
27 "61 -66 25" 54 67 54 78 parsed_1sjr 1
28 "61 -40 25" 56 66 56 77 parsed_1sjr 1
29 "62 -67 25" 58 67 58 78 parsed_1sjr 1
30 "62 -39 25" 60 66 60 77 parsed_1sjr 1
31 "63 -65 25" 62 67 62 78 parsed_1sjr 1
32 "63 -40 25" 64 66 64 77 parsed_1sjr 1
33 "64 -66 25" 66 67 66 78 parsed_1sjr 1
34 "64 -43 25" 68 66 68 77 parsed_1sjr 1
35 "65 -64 25" 70 67 70 78 parsed_1sjr 1
36 "65 -40 28" 72 66 72 77 parsed_1sjr 1
37 "66 -64 25" 74 67 74 78 parsed_1sjr 1
38 "66 -41 25" 76 66 76 77 parsed_1sjr 1
39 "67 -66 25" 78 67 78 78 parsed_1sjr 1
40 "67 -39 25" 80 66 80 77 parsed_1sjr 1
41 "68 -69 25" 82 67 82 78 parsed_1sjr 1
42 "68 -28 30" 84 66 84 77 parsed_1sjr 1
43 "70 -97 25" 86 67 86 78 parsed_1sjr 1
44 "70 -7 51" 88 65 88 75 parsed_1sjr 1
45 "76 -125 48" 90 68 90 80 parsed_1sjr 1
46 "76 134 25" 92 66 92 77 parsed_1sjr 1
47 "77 -129 39" 94 68 94 80 parsed_1sjr 1
48 "77 140 35" 96 66 96 77 parsed_1sjr 1
49 "78 -111 36" 98 68 98 80 parsed_1sjr 1
50 "78 142 36" 100 66 100 77 parsed_1sjr 1
51 "79 -125 43" 102 68 102 80 parsed_1sjr 1
52 "79 142 48" 104 66 104 77 parsed_1sjr 1
53 "80 -114 29" 106 68 106 80 parsed_1sjr 1
54 "80 130 25" 108 66 108 77 parsed_1sjr 1
55 "85 -100 38" 110 68 110 80 parsed_1sjr 1
56 "85 127 25" 112 66 112 77 parsed_1sjr 1
57 "86 -131 32" 114 68 114 80 parsed_1sjr 1
58 "86 149 33" 116 66 116 77 parsed_1sjr 1
59 "87 -131 39" 118 68 118 80 parsed_1sjr 1
60 "87 143 32" 120 66 120 77 parsed_1sjr 1
61 "88 -117 36" 122 68 122 80 parsed_1sjr 1
62 "88 129 35" 124 66 124 77 parsed_1sjr 1
63 "89 -134 28" 126 68 126 80 parsed_1sjr 1
64 "89 130 40" 128 66 128 77 parsed_1sjr 1
65 "90 -107 37" 130 68 130 80 parsed_1sjr 1
66 "90 122 25" 132 66 132 77 parsed_1sjr 1
67 "93 -127 38" 134 68 134 80 parsed_1sjr 1
68 "93 131 63" 136 66 136 77 parsed_1sjr 1
69 "95 -68 25" 138 67 138 78 parsed_1sjr 1
70 "95 -37 25" 140 66 140 77 parsed_1sjr 1
71 "96 -67 25" 142 67 142 78 parsed_1sjr 1
72 "96 -37 25" 144 66 144 77 parsed_1sjr 1
73 "97 -62 25" 146 67 146 78 parsed_1sjr 1
74 "97 -40 25" 148 66 148 77 parsed_1sjr 1
75 "98 -64 25" 150 67 150 78 parsed_1sjr 1
76 "98 -42 25" 152 66 152 77 parsed_1sjr 1
77 "99 -66 25" 154 67 154 78 parsed_1sjr 1
78 "99 -38 25" 156 67 156 78 parsed_1sjr 1
79 "100 -65 25" 158 69 158 81 parsed_1sjr 1
80 "100 -38 25" 160 68 160 80 parsed_1sjr 1
81 "101 -68 26" 162 69 162 81 parsed_1sjr 1
82 "101 -37 25" 164 68 164 80 parsed_1sjr 1
83 "102 -62 25" 166 69 166 81 parsed_1sjr 1
84 "102 -39 25" 168 68 168 80 parsed_1sjr 1
85 "108 -86 34" 170 69 170 81 parsed_1sjr 1
86 "108 134 55" 172 68 172 80 parsed_1sjr 1
87 "116 -88 44" 174 69 174 81 parsed_1sjr 1
88 "116 130 36" 176 68 176 80 parsed_1sjr 1
89 "117 -101 30" 178 70 178 83 parsed_1sjr 1
90 "117 128 25" 180 68 180 80 parsed_1sjr 1
91 "118 -128 40" 182 70 182 83 parsed_1sjr 1
92 "118 138 25" 184 68 184 80 parsed_1sjr 1
93 "120 -98 39" 186 69 186 81 parsed_1sjr 1
94 "120 133 35" 188 68 188 80 parsed_1sjr 1
95 "121 -85 34" 190 69 190 81 parsed_1sjr 1
96 "121 143 57" 192 68 192 80 parsed_1sjr 1
97 "122 -70 25" 194 69 194 81 parsed_1sjr 1
98 "122 -15 25" 196 68 196 80 parsed_1sjr 1
99 "123 -78 32" 198 69 198 81 parsed_1sjr 1
100 "123 -15 36" 200 68 200 80 parsed_1sjr 1
101 "126 -115 52" 202 70 202 83 parsed_1sjr 1
102 "126 139 30" 204 68 204 80 parsed_1sjr 1
103 "128 -108 38" 206 70 206 83 parsed_1sjr 1
104 "128 124 31" 208 68 208 80 parsed_1sjr 1
105 "130 -137 35" 210 70 210 83 parsed_1sjr 1
106 "130 155 25" 212 68 212 80 parsed_1sjr 1
107 "131 -107 26" 214 70 214 83 parsed_1sjr 1
108 "131 124 31" 216 68 216 80 parsed_1sjr 1
109 "135 -137 57" 218 70 218 83 parsed_1sjr 1
110 "135 141 38" 220 68 220 80 parsed_1sjr 1
111 "136 -127 39" 222 70 222 83 parsed_1sjr 1
112
;
136 136 40
Chi1 dihedrals below
;
224 68 226 22 parsed_1sjr 1
113 VAL 229 80 229 84 parsed_1sjr 1
114 LEU 231 79 231 83 parsed_1sjr 1
115 ARG 233 79 233 83 parsed_1sjr 1
116 ILE 235 79 235 83 parsed_1sjr 1
117 ILE 237 79 237 83 parsed_1sjr 1
118 GLU 239 78 239 82 parsed_1sjr 1
119 ASN 241 78 241 82 parsed_1sjr 1
120 LEU 243 79 243 83 parsed_1sjr 1
121 ASP 245 79 245 83 parsed_1sjr 1
122 HIS 247 79 247 83 parsed_1sjr 1
123 PHE 249 78 249 82 parsed_1sjr 1
124 LYS 251 79 251 83 parsed_1sjr 1
125 PHE 253 78 253 82 parsed_1sjr 1
126 THR 255 80 255 84 parsed_1sjr 1
127 VAL 257 80 257 84 parsed_1sjr 1
128 LEU 259 79 259 83 parsed_1sjr 1
129 LYS 261 79 261 83 parsed_1sjr 1
130 ILE 263 79 263 83 parsed_1sjr 1
131 ILE 265 79 265 83 parsed_1sjr 1
132 THR 267 79 267 83 parsed_1sjr 1
133 PHE 269 77 269 81 parsed_1sjr 1
134 LYS 271 79 271 83 parsed_1sjr 1
135 GLN 273 78 273 82 parsed_1sjr 1
136 GLN 275 78 275 82 parsed_1sjr 1
137 GLN 277 78 277 82 parsed_1sjr 1
138 HIS 279 78 279 82 parsed_1sjr 1
139 LYS 281 78 281 82 parsed_1sjr 1
140 LEU 283 78 283 82 parsed_1sjr 1
141 LEU 285 78 285 82 parsed_1sjr 1
142 ILE 287 79 287 83 parsed_1sjr 1
143 TYR 289 78 289 82 parsed_1sjr 1
144 THR 291 80 291 84 parsed_1sjr 1
145 ILE 293 79 293 83 parsed_1sjr 1
146 PHE 295 78 295 82 parsed_1sjr 1
147 SER 297 79 297 83 parsed_1sjr 1
148 TYR 299 78 299 82 parsed_1sjr 1
149 LYS 301 78 301 82 parsed_1sjr 1
150 ARG 303 79 303 83 parsed_1sjr 1
151 TYR 305 78 305 82 parsed_1sjr 1
stop_
save_
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