NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
559305 |
2rsj   |
cing | 2-parsed | STAR | dihedral angle | 86 |
data_2rsj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rsj
_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_2rsj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rsj
_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 2rsj "Master copy" parsed_2rsj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rsj
_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 2rsj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rsj 1
1 2rsj.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 86 parsed_2rsj 1
1 2rsj.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_2rsj 1
1 2rsj.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rsj 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rsj
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.00 -74.00 . . 10 PHE . . . . . . . . . . . . . parsed_2rsj 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.00 147.00 . . 10 PHE . . . . . . . . . . . . . parsed_2rsj 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.00 -76.00 . . 11 THR . . . . . . . . . . . . . parsed_2rsj 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.00 152.00 . . 11 THR . . . . . . . . . . . . . parsed_2rsj 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 12 CYSS . . . . . . . . . . . . . parsed_2rsj 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.00 165.00 . . 12 CYSS . . . . . . . . . . . . . parsed_2rsj 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.00 -84.00 . . 18 VAL . . . . . . . . . . . . . parsed_2rsj 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.00 171.00 . . 18 VAL . . . . . . . . . . . . . parsed_2rsj 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.45 -84.45 . . 19 PHE . . . . . . . . . . . . . parsed_2rsj 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.85 173.85 . . 19 PHE . . . . . . . . . . . . . parsed_2rsj 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -38.00 . . 23 HIS . . . . . . . . . . . . . parsed_2rsj 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.00 -6.00 . . 23 HIS . . . . . . . . . . . . . parsed_2rsj 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 24 SER . . . . . . . . . . . . . parsed_2rsj 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . . 24 SER . . . . . . . . . . . . . parsed_2rsj 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -38.00 . . 25 LEU . . . . . . . . . . . . . parsed_2rsj 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.00 -7.00 . . 25 LEU . . . . . . . . . . . . . parsed_2rsj 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 26 GLN . . . . . . . . . . . . . parsed_2rsj 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 26 GLN . . . . . . . . . . . . . parsed_2rsj 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 27 ALA . . . . . . . . . . . . . parsed_2rsj 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 27 ALA . . . . . . . . . . . . . parsed_2rsj 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 28 HIS . . . . . . . . . . . . . parsed_2rsj 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 28 HIS . . . . . . . . . . . . . parsed_2rsj 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 29 LEU . . . . . . . . . . . . . parsed_2rsj 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 29 LEU . . . . . . . . . . . . . parsed_2rsj 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 30 ARG . . . . . . . . . . . . . parsed_2rsj 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -8.00 . . 30 ARG . . . . . . . . . . . . . parsed_2rsj 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.00 -43.00 . . 31 ILE . . . . . . . . . . . . . parsed_2rsj 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -1.00 . . 31 ILE . . . . . . . . . . . . . parsed_2rsj 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.38 -74.38 . . 39 LYS . . . . . . . . . . . . . parsed_2rsj 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.20 150.20 . . 39 LYS . . . . . . . . . . . . . parsed_2rsj 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.29 -65.29 . . 40 CYSS . . . . . . . . . . . . . parsed_2rsj 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.38 157.38 . . 40 CYSS . . . . . . . . . . . . . parsed_2rsj 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.00 -81.00 . . 46 ALA . . . . . . . . . . . . . parsed_2rsj 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 183.00 . . 46 ALA . . . . . . . . . . . . . parsed_2rsj 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.26 -37.26 . . 51 ALA . . . . . . . . . . . . . parsed_2rsj 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.70 -9.70 . . 51 ALA . . . . . . . . . . . . . parsed_2rsj 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.60 -34.60 . . 52 ASN . . . . . . . . . . . . . parsed_2rsj 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.95 -9.95 . . 52 ASN . . . . . . . . . . . . . parsed_2rsj 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.45 -37.45 . . 53 LEU . . . . . . . . . . . . . parsed_2rsj 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.10 -8.10 . . 53 LEU . . . . . . . . . . . . . parsed_2rsj 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.26 -36.26 . . 54 ASN . . . . . . . . . . . . . parsed_2rsj 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.05 -13.05 . . 54 ASN . . . . . . . . . . . . . parsed_2rsj 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.72 -37.72 . . 55 VAL . . . . . . . . . . . . . parsed_2rsj 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.73 -10.73 . . 55 VAL . . . . . . . . . . . . . parsed_2rsj 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.15 -35.15 . . 56 HIS . . . . . . . . . . . . . parsed_2rsj 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.21 -10.21 . . 56 HIS . . . . . . . . . . . . . parsed_2rsj 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.09 -34.09 . . 57 LEU . . . . . . . . . . . . . parsed_2rsj 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.04 -3.04 . . 57 LEU . . . . . . . . . . . . . parsed_2rsj 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -40.00 . . 58 ARG . . . . . . . . . . . . . parsed_2rsj 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.00 -4.00 . . 58 ARG . . . . . . . . . . . . . parsed_2rsj 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -40.00 . . 59 LYS . . . . . . . . . . . . . parsed_2rsj 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.00 -3.00 . . 59 LYS . . . . . . . . . . . . . parsed_2rsj 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.00 -65.00 . . 65 PHE . . . . . . . . . . . . . parsed_2rsj 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.00 154.00 . . 65 PHE . . . . . . . . . . . . . parsed_2rsj 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.00 -77.00 . . 66 ALA . . . . . . . . . . . . . parsed_2rsj 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.00 152.00 . . 66 ALA . . . . . . . . . . . . . parsed_2rsj 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.00 -63.00 . . 72 PHE . . . . . . . . . . . . . parsed_2rsj 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.00 157.00 . . 72 PHE . . . . . . . . . . . . . parsed_2rsj 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.00 -89.00 . . 73 THR . . . . . . . . . . . . . parsed_2rsj 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.00 187.00 . . 73 THR . . . . . . . . . . . . . parsed_2rsj 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.00 -85.00 . . 74 CYS . . . . . . . . . . . . . parsed_2rsj 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.00 183.00 . . 74 CYS . . . . . . . . . . . . . parsed_2rsj 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -38.00 . . 78 GLY . . . . . . . . . . . . . parsed_2rsj 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -10.00 . . 78 GLY . . . . . . . . . . . . . parsed_2rsj 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.23 -35.23 . . 79 HIS . . . . . . . . . . . . . parsed_2rsj 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.56 -12.56 . . 79 HIS . . . . . . . . . . . . . parsed_2rsj 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.53 -37.53 . . 80 LEU . . . . . . . . . . . . . parsed_2rsj 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.48 -9.48 . . 80 LEU . . . . . . . . . . . . . parsed_2rsj 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.66 -37.66 . . 81 LYS . . . . . . . . . . . . . parsed_2rsj 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.87 -9.87 . . 81 LYS . . . . . . . . . . . . . parsed_2rsj 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.88 -40.88 . . 82 VAL . . . . . . . . . . . . . parsed_2rsj 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.75 -10.75 . . 82 VAL . . . . . . . . . . . . . parsed_2rsj 1
73 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.41 -35.41 . . 83 HIS . . . . . . . . . . . . . parsed_2rsj 1
74 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.52 -15.52 . . 83 HIS . . . . . . . . . . . . . parsed_2rsj 1
75 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.12 -35.12 . . 84 ILE . . . . . . . . . . . . . parsed_2rsj 1
76 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.29 -9.29 . . 84 ILE . . . . . . . . . . . . . parsed_2rsj 1
77 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.69 -32.69 . . 85 GLU . . . . . . . . . . . . . parsed_2rsj 1
78 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.48 -6.48 . . 85 GLU . . . . . . . . . . . . . parsed_2rsj 1
79 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.00 -38.00 . . 86 ARG . . . . . . . . . . . . . parsed_2rsj 1
80 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -5.00 . . 86 ARG . . . . . . . . . . . . . parsed_2rsj 1
81 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.00 -42.00 . . 87 VAL . . . . . . . . . . . . . parsed_2rsj 1
82 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -9.00 . . 87 VAL . . . . . . . . . . . . . parsed_2rsj 1
83 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.00 -73.00 . . 88 HIS . . . . . . . . . . . . . parsed_2rsj 1
84 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 20.00 . . 88 HIS . . . . . . . . . . . . . parsed_2rsj 1
85 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . . 15 CYSS . . . . . . . . . . . . . parsed_2rsj 1
86 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.00 90.00 . . 43 CYSS . . . . . . . . . . . . . parsed_2rsj 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 "60 HIS PHI -124.00 -64.00" 53 5 53 39 parsed_2rsj 1
2 "60 HIS PSI -40.00 20.00" 54 5 54 39 parsed_2rsj 1
stop_
save_
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