NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
38245 |
1r57   |
5845 | cing | 2-parsed | STAR | dihedral angle | 80 |
data_1r57_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1r57
_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_1r57 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1r57
_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 1r57 "Master copy" parsed_1r57
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1r57
_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 1r57.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1r57 1
1 1r57.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1r57 1
1 1r57.mr . . XPLOR/CNS 3 distance NOE simple 710 parsed_1r57 1
1 1r57.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 58 parsed_1r57 1
1 1r57.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 80 parsed_1r57 1
1 1r57.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1r57 1
1 1r57.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1r57 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1r57
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1r57 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1r57 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1r57 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1r57 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1r57 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1r57 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1r57 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_1r57 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 59 . C . 60 . N . 60 . CA . 60 . C parsed_1r57 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_1r57 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_1r57 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_1r57 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1r57 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_1r57 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_1r57 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 76 . C . 77 . N . 77 . CA . 77 . C parsed_1r57 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_1r57 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_1r57 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_1r57 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_1r57 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_1r57 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_1r57 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1r57 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1r57 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_1r57 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_1r57 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1r57 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1r57 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1r57 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1r57 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1r57 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1r57 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_1r57 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_1r57 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -25.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_1r57 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_1r57 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_1r57 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_1r57 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_1r57 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_1r57 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_1r57 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_1r57 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_1r57 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 60 . N . 60 . CA . 60 . C . 61 . N parsed_1r57 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_1r57 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_1r57 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_1r57 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_1r57 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_1r57 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_1r57 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 77 . N . 77 . CA . 77 . C . 78 . N parsed_1r57 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_1r57 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_1r57 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_1r57 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_1r57 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_1r57 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -17.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_1r57 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_1r57 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1r57 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1r57 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1r57 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1r57 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_1r57 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_1r57 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_1r57 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 190.0 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_1r57 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 6 . N . 6 . CA . 6 . CB . 6 . CG1 parsed_1r57 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG1 parsed_1r57 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 26 . N . 26 . CA . 26 . CB . 26 . CG1 parsed_1r57 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 27 . N . 27 . CA . 27 . CB . 27 . OG1 parsed_1r57 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 31 . N . 31 . CA . 31 . CB . 31 . CG1 parsed_1r57 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 36 . N . 36 . CA . 36 . CB . 36 . CG1 parsed_1r57 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 38 . N . 38 . CA . 38 . CB . 38 . CG1 parsed_1r57 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 41 . N . 41 . CA . 41 . CB . 41 . OG1 parsed_1r57 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 43 . N . 43 . CA . 43 . CB . 43 . CG1 parsed_1r57 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 60 . N . 60 . CA . 60 . CB . 60 . CG1 parsed_1r57 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 61 . N . 61 . CA . 61 . CB . 61 . CG1 parsed_1r57 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 71 . N . 71 . CA . 71 . CB . 71 . CG1 parsed_1r57 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 72 . N . 72 . CA . 72 . CB . 72 . CG1 parsed_1r57 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 91 . N . 91 . CA . 91 . CB . 91 . CG1 parsed_1r57 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
;
: torsion angle restraints
: phi restraints
;
3 1 5 24 parsed_1r57 1
2 ": psi restraints" 112 1 112 24 parsed_1r57 1
3 ": Chi-1 restraints" 207 1 207 26 parsed_1r57 1
stop_
save_
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