NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
563338 |
2lui   |
18522 | cing | 2-parsed | STAR | dihedral angle | 66 |
data_2lui_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lui
_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_2lui 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lui
_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 2lui "Master copy" parsed_2lui
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lui
_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 2lui.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lui 1
1 2lui.mr . . XPLOR/CNS 2 distance NOE simple 221 parsed_2lui 1
1 2lui.mr . . XPLOR/CNS 3 distance NOE ambi 1065 parsed_2lui 1
1 2lui.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_2lui 1
1 2lui.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2lui 1
1 2lui.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lui 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lui
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -89.90 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_2lui 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 158.02 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_2lui 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -64.06 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_2lui 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 165.46 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_2lui 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -85.30 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_2lui 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 155.62 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_2lui 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.88 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_2lui 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -70.00 . " A" 17 . C " A" 18 . N " A" 18 . CA " A" 18 . C parsed_2lui 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 30.00 . " A" 18 . N " A" 18 . CA " A" 18 . C " A" 19 . N parsed_2lui 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 70.14 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_2lui 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.00 79.82 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_2lui 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -99.88 . " A" 22 . C " A" 23 . N " A" 23 . CA " A" 23 . C parsed_2lui 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -45.36 . " A" 36 . C " A" 37 . N " A" 37 . CA " A" 37 . C parsed_2lui 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 152.38 . " A" 37 . N " A" 37 . CA " A" 37 . C " A" 38 . N parsed_2lui 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -52.14 . " A" 37 . C " A" 38 . N " A" 38 . CA " A" 38 . C parsed_2lui 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.44 . " A" 38 . N " A" 38 . CA " A" 38 . C " A" 39 . N parsed_2lui 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 159.78 . " A" 40 . N " A" 40 . CA " A" 40 . C " A" 41 . N parsed_2lui 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -39.90 . " A" 44 . C " A" 45 . N " A" 45 . CA " A" 45 . C parsed_2lui 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -9.90 . " A" 45 . N " A" 45 . CA " A" 45 . C " A" 46 . N parsed_2lui 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -34.58 . " A" 45 . C " A" 46 . N " A" 46 . CA " A" 46 . C parsed_2lui 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -49.58 . " A" 56 . C " A" 57 . N " A" 57 . CA " A" 57 . C parsed_2lui 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -100.02 . " A" 60 . C " A" 61 . N " A" 61 . CA " A" 61 . C parsed_2lui 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 159.32 . " A" 61 . N " A" 61 . CA " A" 61 . C " A" 62 . N parsed_2lui 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.00 70.00 . " A" 61 . C " A" 62 . N " A" 62 . CA " A" 62 . C parsed_2lui 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.00 70.00 . " A" 62 . N " A" 62 . CA " A" 62 . C " A" 63 . N parsed_2lui 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.00 100.00 . " A" 62 . C " A" 63 . N " A" 63 . CA " A" 63 . C parsed_2lui 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -20.00 49.92 . " A" 63 . N " A" 63 . CA " A" 63 . C " A" 64 . N parsed_2lui 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -98.62 . " A" 63 . C " A" 64 . N " A" 64 . CA " A" 64 . C parsed_2lui 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 170.58 . " A" 64 . N " A" 64 . CA " A" 64 . C " A" 65 . N parsed_2lui 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.36 . " A" 66 . C " A" 67 . N " A" 67 . CA " A" 67 . C parsed_2lui 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.00 0.40 . " A" 68 . N " A" 68 . CA " A" 68 . C " A" 69 . N parsed_2lui 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -32.36 . " A" 70 . C " A" 71 . N " A" 71 . CA " A" 71 . C parsed_2lui 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.82 . " A" 71 . N " A" 71 . CA " A" 71 . C " A" 72 . N parsed_2lui 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.08 . " A" 71 . C " A" 72 . N " A" 72 . CA " A" 72 . C parsed_2lui 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.64 . " A" 72 . N " A" 72 . CA " A" 72 . C " A" 73 . N parsed_2lui 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.82 . " A" 72 . C " A" 73 . N " A" 73 . CA " A" 73 . C parsed_2lui 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.92 . " A" 73 . N " A" 73 . CA " A" 73 . C " A" 74 . N parsed_2lui 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.94 . " A" 73 . C " A" 74 . N " A" 74 . CA " A" 74 . C parsed_2lui 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -29.54 . " A" 74 . N " A" 74 . CA " A" 74 . C " A" 75 . N parsed_2lui 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -48.88 . " A" 74 . C " A" 75 . N " A" 75 . CA " A" 75 . C parsed_2lui 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -4.72 . " A" 75 . N " A" 75 . CA " A" 75 . C " A" 76 . N parsed_2lui 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.30 . " A" 75 . C " A" 76 . N " A" 76 . CA " A" 76 . C parsed_2lui 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.06 . " A" 76 . N " A" 76 . CA " A" 76 . C " A" 77 . N parsed_2lui 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.72 . " A" 76 . C " A" 77 . N " A" 77 . CA " A" 77 . C parsed_2lui 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.78 . " A" 77 . N " A" 77 . CA " A" 77 . C " A" 78 . N parsed_2lui 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.88 . " A" 77 . C " A" 78 . N " A" 78 . CA " A" 78 . C parsed_2lui 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.44 . " A" 78 . N " A" 78 . CA " A" 78 . C " A" 79 . N parsed_2lui 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.68 . " A" 78 . C " A" 79 . N " A" 79 . CA " A" 79 . C parsed_2lui 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.48 . " A" 79 . C " A" 80 . N " A" 80 . CA " A" 80 . C parsed_2lui 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 9.12 . " A" 80 . N " A" 80 . CA " A" 80 . C " A" 81 . N parsed_2lui 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -76.16 . " A" 83 . C " A" 84 . N " A" 84 . CA " A" 84 . C parsed_2lui 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 177.86 . " A" 84 . N " A" 84 . CA " A" 84 . C " A" 85 . N parsed_2lui 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -92.64 . " A" 84 . C " A" 85 . N " A" 85 . CA " A" 85 . C parsed_2lui 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 162.26 . " A" 85 . N " A" 85 . CA " A" 85 . C " A" 86 . N parsed_2lui 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -81.62 . " A" 85 . C " A" 86 . N " A" 86 . CA " A" 86 . C parsed_2lui 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 146.78 . " A" 86 . N " A" 86 . CA " A" 86 . C " A" 87 . N parsed_2lui 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 150.04 . " A" 87 . N " A" 87 . CA " A" 87 . C " A" 88 . N parsed_2lui 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -62.44 . " A" 87 . C " A" 88 . N " A" 88 . CA " A" 88 . C parsed_2lui 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -96.52 . " A" 90 . C " A" 91 . N " A" 91 . CA " A" 91 . C parsed_2lui 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -89.36 . " A" 113 . C " A" 114 . N " A" 114 . CA " A" 114 . C parsed_2lui 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 167.92 . " A" 114 . N " A" 114 . CA " A" 114 . C " A" 115 . N parsed_2lui 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 167.46 . " A" 112 . N " A" 112 . CA " A" 112 . C " A" 113 . N parsed_2lui 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -71.20 . " A" 112 . C " A" 113 . N " A" 113 . CA " A" 113 . C parsed_2lui 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 184.16 . " A" 113 . N " A" 113 . CA " A" 113 . C " A" 114 . N parsed_2lui 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -89.36 . " A" 113 . C " A" 114 . N " A" 114 . CA " A" 114 . C parsed_2lui 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 167.92 . " A" 114 . N " A" 114 . CA " A" 114 . C " A" 115 . N parsed_2lui 1
stop_
save_
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