NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
605992 |
5l3l   |
34000 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_5l3l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5l3l
_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_5l3l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5l3l
_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 5l3l "Master copy" parsed_5l3l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5l3l
_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 5l3l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5l3l 1
1 5l3l.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_5l3l 1
1 5l3l.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_5l3l 1
1 5l3l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5l3l 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5l3l
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -55.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5l3l 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -27.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5l3l 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -54.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5l3l 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -34.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5l3l 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -48.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5l3l 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -33.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5l3l 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -51.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5l3l 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5l3l 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -52.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5l3l 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -25.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5l3l 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5l3l 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -37.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5l3l 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -53.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5l3l 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -15.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5l3l 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -47.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5l3l 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -25.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5l3l 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -50.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_5l3l 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -1.0 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_5l3l 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -54.0 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_5l3l 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -8.0 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_5l3l 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.0 -102.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_5l3l 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 187.0 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_5l3l 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.0 -73.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_5l3l 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.0 179.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_5l3l 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -32.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_5l3l 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 182.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_5l3l 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -38.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_5l3l 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -8.0 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_5l3l 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -48.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_5l3l 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -21.0 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_5l3l 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -50.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_5l3l 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -19.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_5l3l 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -72.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_5l3l 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 29.0 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_5l3l 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -44.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_5l3l 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -26.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_5l3l 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -53.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_5l3l 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -28.0 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_5l3l 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -53.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_5l3l 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -31.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_5l3l 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_5l3l 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_5l3l 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -54.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_5l3l 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -7.0 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_5l3l 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -44.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_5l3l 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -19.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_5l3l 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: xplor_aco.tbl" 1 1 1 34 parsed_5l3l 1
stop_
save_
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