NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
40201 |
1um7   |
11198 | cing | 2-parsed | STAR | dihedral angle | 77 |
data_1um7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1um7
_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_1um7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1um7
_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 1um7 "Master copy" parsed_1um7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1um7
_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 1um7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1um7 1
1 1um7.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 77 parsed_1um7 1
1 1um7.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_1um7 1
1 1um7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1um7 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1um7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 -74.0 . . 18 LYS+ . . . . . . . . . . . . . parsed_1um7 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.7 156.7 . . 18 LYS+ . . . . . . . . . . . . . parsed_1um7 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.3 -95.3 . . 31 ASN . . . . . . . . . . . . . parsed_1um7 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.9 175.9 . . 31 ASN . . . . . . . . . . . . . parsed_1um7 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.3 -96.3 . . 32 ILE . . . . . . . . . . . . . parsed_1um7 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.6 172.6 . . 32 ILE . . . . . . . . . . . . . parsed_1um7 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.5 -102.5 . . 33 VAL . . . . . . . . . . . . . parsed_1um7 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 177.0 . . 33 VAL . . . . . . . . . . . . . parsed_1um7 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 36 GLU- . . . . . . . . . . . . . parsed_1um7 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 36 GLU- . . . . . . . . . . . . . parsed_1um7 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.1 -78.1 . . 46 ILE . . . . . . . . . . . . . parsed_1um7 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.6 158.6 . . 46 ILE . . . . . . . . . . . . . parsed_1um7 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -39.5 . . 47 LEU . . . . . . . . . . . . . parsed_1um7 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.2 158.2 . . 47 LEU . . . . . . . . . . . . . parsed_1um7 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.5 -35.5 . . 52 ALA . . . . . . . . . . . . . parsed_1um7 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.3 -7.3 . . 52 ALA . . . . . . . . . . . . . parsed_1um7 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.9 -33.9 . . 54 LEU . . . . . . . . . . . . . parsed_1um7 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -9.9 . . 54 LEU . . . . . . . . . . . . . parsed_1um7 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.5 -52.5 . . 65 LEU . . . . . . . . . . . . . parsed_1um7 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.2 4.8 . . 65 LEU . . . . . . . . . . . . . parsed_1um7 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.3 -67.3 . . 67 VAL . . . . . . . . . . . . . parsed_1um7 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.4 167.4 . . 67 VAL . . . . . . . . . . . . . parsed_1um7 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.7 -36.7 . . 69 GLY . . . . . . . . . . . . . parsed_1um7 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.7 -7.7 . . 69 GLY . . . . . . . . . . . . . parsed_1um7 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.6 -35.6 . . 77 HIS . . . . . . . . . . . . . parsed_1um7 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.4 -8.4 . . 77 HIS . . . . . . . . . . . . . parsed_1um7 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -36.3 . . 78 GLU- . . . . . . . . . . . . . parsed_1um7 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -7.0 . . 78 GLU- . . . . . . . . . . . . . parsed_1um7 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.4 -37.4 . . 79 GLN . . . . . . . . . . . . . parsed_1um7 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.6 -10.6 . . 79 GLN . . . . . . . . . . . . . parsed_1um7 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.7 -33.7 . . 80 ALA . . . . . . . . . . . . . parsed_1um7 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.3 -11.3 . . 80 ALA . . . . . . . . . . . . . parsed_1um7 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.6 -36.6 . . 81 ALA . . . . . . . . . . . . . parsed_1um7 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.2 -8.2 . . 81 ALA . . . . . . . . . . . . . parsed_1um7 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -36.3 . . 82 ALA . . . . . . . . . . . . . parsed_1um7 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -9.0 . . 82 ALA . . . . . . . . . . . . . parsed_1um7 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.9 -36.9 . . 83 ALA . . . . . . . . . . . . . parsed_1um7 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.5 -9.5 . . 83 ALA . . . . . . . . . . . . . parsed_1um7 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.6 -36.6 . . 84 LEU . . . . . . . . . . . . . parsed_1um7 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.2 -7.2 . . 84 LEU . . . . . . . . . . . . . parsed_1um7 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.5 -35.5 . . 85 LYS+ . . . . . . . . . . . . . parsed_1um7 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 0.0 . . 85 LYS+ . . . . . . . . . . . . . parsed_1um7 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.8 -36.8 . . 86 ARG+ . . . . . . . . . . . . . parsed_1um7 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.1 -8.1 . . 86 ARG+ . . . . . . . . . . . . . parsed_1um7 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.7 -55.7 . . 89 GLN . . . . . . . . . . . . . parsed_1um7 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.3 8.7 . . 89 GLN . . . . . . . . . . . . . parsed_1um7 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.5 -76.5 . . 91 VAL . . . . . . . . . . . . . parsed_1um7 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.5 148.5 . . 91 VAL . . . . . . . . . . . . . parsed_1um7 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.7 -56.7 . . 92 THR . . . . . . . . . . . . . parsed_1um7 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.3 161.3 . . 92 THR . . . . . . . . . . . . . parsed_1um7 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.6 -70.6 . . 94 VAL . . . . . . . . . . . . . parsed_1um7 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 163.0 . . 94 VAL . . . . . . . . . . . . . parsed_1um7 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -102.1 . . 95 ALA . . . . . . . . . . . . . parsed_1um7 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.4 177.4 . . 95 ALA . . . . . . . . . . . . . parsed_1um7 1
55 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.4 -7.4 . . 99 PRO . . . . . . . . . . . . . parsed_1um7 1
56 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.8 -33.8 . . 100 GLU- . . . . . . . . . . . . . parsed_1um7 1
57 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.5 -11.5 . . 100 GLU- . . . . . . . . . . . . . parsed_1um7 1
58 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -34.7 . . 101 GLU- . . . . . . . . . . . . . parsed_1um7 1
59 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.2 -12.2 . . 101 GLU- . . . . . . . . . . . . . parsed_1um7 1
60 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -32.2 . . 102 TYR . . . . . . . . . . . . . parsed_1um7 1
61 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -11.8 . . 102 TYR . . . . . . . . . . . . . parsed_1um7 1
62 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -39.0 . . 103 SER . . . . . . . . . . . . . parsed_1um7 1
63 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 -8.3 . . 103 SER . . . . . . . . . . . . . parsed_1um7 1
64 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.1 -34.1 . . 104 ARG+ . . . . . . . . . . . . . parsed_1um7 1
65 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.8 -13.9 . . 104 ARG+ . . . . . . . . . . . . . parsed_1um7 1
66 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -33.5 . . 105 PHE . . . . . . . . . . . . . parsed_1um7 1
67 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.7 -9.7 . . 105 PHE . . . . . . . . . . . . . parsed_1um7 1
68 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.5 -41.5 . . 106 GLU- . . . . . . . . . . . . . parsed_1um7 1
69 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -6.0 . . 106 GLU- . . . . . . . . . . . . . parsed_1um7 1
70 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.2 -42.2 . . 107 SER . . . . . . . . . . . . . parsed_1um7 1
71 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 -3.2 . . 107 SER . . . . . . . . . . . . . parsed_1um7 1
72 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.610 -33.610 . . 24 GLY . . . . . . . . . . . . . parsed_1um7 1
73 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.860 -11.860 . . 24 GLY . . . . . . . . . . . . . parsed_1um7 1
74 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.490 -33.490 . . 28 LEU . . . . . . . . . . . . . parsed_1um7 1
75 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.020 -10.020 . . 28 LEU . . . . . . . . . . . . . parsed_1um7 1
76 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.380 -51.380 . . 97 TYR . . . . . . . . . . . . . parsed_1um7 1
77 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 156.790 96.790 . . 97 TYR . . . . . . . . . . . . . parsed_1um7 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 "53 ASP- PHI -96.0 -36.0" 17 3 17 30 parsed_1um7 1
2 "53 ASP- PSI -74.9 -14.9" 18 3 18 30 parsed_1um7 1
3 "55 SER PHI -97.9 -37.9" 21 3 21 30 parsed_1um7 1
4 "55 SER PSI -70.1 -10.1" 22 3 22 30 parsed_1um7 1
5 "56 GLY PHI -98.1 -38.1" 23 3 23 30 parsed_1um7 1
6 "56 GLY PSI -66.6 -6.6" 24 3 24 30 parsed_1um7 1
7 "61 GLY PHI -96.5 -36.5" 25 3 25 30 parsed_1um7 1
8 "61 GLY PSI -68.6 -8.6" 26 3 26 30 parsed_1um7 1
9 "70 VAL PHI -100.8 -40.8" 33 3 33 31 parsed_1um7 1
10 "70 VAL PSI -64.5 -4.5" 34 3 34 30 parsed_1um7 1
11 "72 LEU PHI -97.9 -37.9" 35 3 35 30 parsed_1um7 1
12 "72 LEU PSI -68.5 -8.5" 36 3 36 30 parsed_1um7 1
stop_
save_
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