NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
655104 |
7l51   |
30827 | cing | 2-parsed | STAR | dihedral angle | 84 |
data_7l51_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7l51
_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_7l51 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7l51
_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 7l51 "Master copy" parsed_7l51
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7l51
_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 7l51.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7l51 1
1 7l51.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 84 parsed_7l51 1
1 7l51.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_7l51 1
1 7l51.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_7l51 1
1 7l51.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7l51 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_7l51
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.8 -8.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_7l51 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 172.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_7l51 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -60.6 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_7l51 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.8 167.8 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_7l51 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.2 -114.4 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_7l51 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 146.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_7l51 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.9 73.9 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_7l51 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.4 62.4 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_7l51 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.1 88.1 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_7l51 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.4 36.6 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_7l51 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.4 -82.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_7l51 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 170.6 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_7l51 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.4 -57.4 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_7l51 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.7 175.1 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_7l51 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.1 -38.7 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_7l51 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.3 178.7 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_7l51 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.8 166.8 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_7l51 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_7l51 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 153.9 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_7l51 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 116.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_7l51 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.3 8.7 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_7l51 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_7l51 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.4 163.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_7l51 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.4 -102.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_7l51 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.6 169.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_7l51 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -121.3 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_7l51 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.9 172.9 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_7l51 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.7 -57.7 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_7l51 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 157.5 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_7l51 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.9 -46.7 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_7l51 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.5 173.9 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_7l51 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.8 172.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_7l51 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.6 -42.6 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_7l51 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.7 163.9 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_7l51 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.1 -39.1 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_7l51 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.1 162.1 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_7l51 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -86.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_7l51 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.9 166.9 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_7l51 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.1 -70.1 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_7l51 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.9 172.5 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_7l51 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.4 -73.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_7l51 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.4 153.4 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_7l51 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.8 -8.0 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_7l51 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 172.0 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_7l51 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.6 -60.6 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_7l51 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.8 167.8 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_7l51 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.2 -114.4 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_7l51 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 146.0 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_7l51 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.9 73.9 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_7l51 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.4 62.4 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_7l51 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.1 88.1 . . 105 . C . 106 . N . 106 . CA . 106 . C parsed_7l51 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.4 36.6 . . 106 . N . 106 . CA . 106 . C . 107 . N parsed_7l51 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.4 -82.0 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_7l51 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 170.6 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_7l51 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.4 -57.4 . . 107 . C . 108 . N . 108 . CA . 108 . C parsed_7l51 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.7 175.1 . . 108 . N . 108 . CA . 108 . C . 109 . N parsed_7l51 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.1 -38.7 . . 108 . C . 109 . N . 109 . CA . 109 . C parsed_7l51 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.3 178.7 . . 109 . N . 109 . CA . 109 . C . 110 . N parsed_7l51 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.8 166.8 . . 110 . N . 110 . CA . 110 . C . 111 . N parsed_7l51 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -35.0 . . 110 . C . 111 . N . 111 . CA . 111 . C parsed_7l51 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.9 153.9 . . 111 . N . 111 . CA . 111 . C . 112 . N parsed_7l51 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 116.0 . . 111 . C . 112 . N . 112 . CA . 112 . C parsed_7l51 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.3 8.7 . . 112 . N . 112 . CA . 112 . C . 113 . N parsed_7l51 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . . 112 . C . 113 . N . 113 . CA . 113 . C parsed_7l51 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.4 163.0 . . 113 . N . 113 . CA . 113 . C . 114 . N parsed_7l51 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.4 -102.0 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_7l51 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.6 169.6 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_7l51 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.1 -121.3 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_7l51 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.9 172.9 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_7l51 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.7 -57.7 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_7l51 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 157.5 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_7l51 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.9 -46.7 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_7l51 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.5 173.9 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_7l51 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.8 172.0 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_7l51 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.6 -42.6 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_7l51 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.7 163.9 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_7l51 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.1 -39.1 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_7l51 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.1 162.1 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_7l51 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -86.0 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_7l51 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.9 166.9 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_7l51 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.1 -70.1 . . 124 . C . 125 . N . 125 . CA . 125 . C parsed_7l51 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.9 172.5 . . 125 . N . 125 . CA . 125 . C . 126 . N parsed_7l51 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.4 -73.8 . . 125 . C . 126 . N . 126 . CA . 126 . C parsed_7l51 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52.4 153.4 . . 126 . N . 126 . CA . 126 . C . 127 . N parsed_7l51 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 "Dihedral angles from TALOS-N (residues 101-128 are indicative of residues 1-28 of Chain B)" 2 1 2 92 parsed_7l51 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: PDP-23_Dimer_restraints.tbl" 1 1 1 48 parsed_7l51 1
stop_
save_
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