NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
40206 |
1umq   |
5920 | cing | 2-parsed | STAR | dihedral angle | 62 |
data_1umq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1umq
_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_1umq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1umq
_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 1umq "Master copy" parsed_1umq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1umq
_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 1umq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1umq 1
1 1umq.mr . . XPLOR/CNS 2 distance NOE simple 941 parsed_1umq 1
1 1umq.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_1umq 1
1 1umq.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1umq 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1umq
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88 -48 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1umq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -7 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1umq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102 -38 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1umq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -3 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1umq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -54 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1umq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -30 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_1umq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -56 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1umq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 -28 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1umq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -48 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1umq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 -31 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1umq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -50 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1umq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -29 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1umq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -53 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1umq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -23 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1umq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -56 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1umq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -20 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1umq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -53 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1umq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -15 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1umq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -51 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1umq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -18 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1umq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -49 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1umq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -14 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1umq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85 -53 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1umq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56 -24 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1umq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93 -33 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1umq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -17 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_1umq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -56 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1umq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -28 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_1umq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -59 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1umq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -1 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_1umq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -37 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1umq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71 1 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1umq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -48 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1umq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 -31 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1umq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -54 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1umq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56 -36 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_1umq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -53 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1umq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -25 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_1umq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -56 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1umq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -29 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_1umq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -52 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1umq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -25 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_1umq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -51 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1umq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -6 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_1umq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -47 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1umq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -10 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_1umq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -51 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1umq 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -10 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1umq 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -51 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1umq 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -18 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_1umq 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -51 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1umq 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -32 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_1umq 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -51 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_1umq 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -26 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_1umq 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -55 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_1umq 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -25 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_1umq 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -50 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1umq 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -29 . . 75 . n . 75 . ca . 75 . c . 76 . n parsed_1umq 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -48 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1umq 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 0 . . 76 . n . 76 . ca . 76 . c . 77 . n parsed_1umq 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -55 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1umq 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -13 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_1umq 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 "38 -68 20" 2 67 2 78 parsed_1umq 1
2 "38 -33 26" 4 66 4 77 parsed_1umq 1
3 "39 -70 32" 6 67 6 78 parsed_1umq 1
4 "39 -31 28" 8 66 8 77 parsed_1umq 1
5 "40 -66 12" 10 67 10 78 parsed_1umq 1
6 "40 -42 12" 12 66 12 77 parsed_1umq 1
7 "41 -66 10" 14 67 14 78 parsed_1umq 1
8 "41 -40 12" 16 66 16 77 parsed_1umq 1
9 "42 -62 14" 18 67 18 78 parsed_1umq 1
10 "42 -39 8" 20 65 20 75 parsed_1umq 1
11 "43 -66 16" 22 67 22 78 parsed_1umq 1
12 "43 -43 14" 24 66 24 77 parsed_1umq 1
13 "44 -67 14" 26 67 26 78 parsed_1umq 1
14 "44 -39 16" 28 66 28 77 parsed_1umq 1
15 "45 -68 12" 30 67 30 78 parsed_1umq 1
16 "45 -42 22" 32 66 32 77 parsed_1umq 1
17 "46 -69 16" 34 67 34 78 parsed_1umq 1
18 "46 -37 22" 36 66 36 77 parsed_1umq 1
19 "47 -63 12" 38 67 38 78 parsed_1umq 1
20 "47 -40 22" 40 66 40 77 parsed_1umq 1
21 "48 -67 18" 42 67 42 78 parsed_1umq 1
22 "48 -38 24" 44 66 44 77 parsed_1umq 1
23 "49 -69 16" 46 67 46 78 parsed_1umq 1
24 "49 -40 16" 48 66 48 77 parsed_1umq 1
25 "50 -63 30" 50 67 50 78 parsed_1umq 1
26 "50 -37 20" 52 66 52 77 parsed_1umq 1
27 "51 -64 8" 54 66 54 76 parsed_1umq 1
28 "51 -44 16" 56 66 56 77 parsed_1umq 1
29 "52 -69 10" 58 67 58 78 parsed_1umq 1
30 "52 -31 30" 60 66 60 77 parsed_1umq 1
31 "57 -69 32" 62 67 62 78 parsed_1umq 1
32 "57 -35 36" 64 66 64 77 parsed_1umq 1
33 "58 -64 16" 66 67 66 78 parsed_1umq 1
34 "58 -41 10" 68 66 68 77 parsed_1umq 1
35 "59 -64 10" 70 67 70 78 parsed_1umq 1
36 "59 -46 10" 72 66 72 77 parsed_1umq 1
37 "60 -65 12" 74 67 74 78 parsed_1umq 1
38 "60 -41 16" 76 66 76 77 parsed_1umq 1
39 "61 -64 8" 78 66 78 76 parsed_1umq 1
40 "61 -45 16" 80 66 80 77 parsed_1umq 1
41 "62 -64 12" 82 67 82 78 parsed_1umq 1
42 "62 -39 14" 84 66 84 77 parsed_1umq 1
43 "63 -67 16" 86 67 86 78 parsed_1umq 1
44 "63 -32 26" 88 66 88 77 parsed_1umq 1
45 "69 -65 18" 90 67 90 78 parsed_1umq 1
46 "69 -36 26" 92 66 92 77 parsed_1umq 1
47 "70 -67 16" 94 67 94 78 parsed_1umq 1
48 "70 -36 26" 96 66 96 77 parsed_1umq 1
49 "71 -65 14" 98 67 98 78 parsed_1umq 1
50 "71 -40 22" 100 66 100 77 parsed_1umq 1
51 "72 -63 12" 102 67 102 78 parsed_1umq 1
52 "72 -46 14" 104 66 104 77 parsed_1umq 1
53 "73 -65 14" 106 67 106 78 parsed_1umq 1
54 "73 -42 16" 108 66 108 77 parsed_1umq 1
55 "74 -67 12" 110 67 110 78 parsed_1umq 1
56 "74 -41 16" 112 66 112 77 parsed_1umq 1
57 "75 -64 14" 114 67 114 78 parsed_1umq 1
58 "75 -41 12" 116 66 116 77 parsed_1umq 1
59 "76 -64 16" 118 67 118 78 parsed_1umq 1
60 "76 -34 34" 120 66 120 77 parsed_1umq 1
61 "77 -67 12" 122 67 122 78 parsed_1umq 1
62 "77 -31 18" 124 66 124 77 parsed_1umq 1
stop_
save_
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