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 |
|
|
614445 |
5ua8   |
30219 | cing | 2-parsed | STAR | dihedral angle | 44 |
data_5ua8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ua8
_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_5ua8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ua8
_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 5ua8 "Master copy" parsed_5ua8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ua8
_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 5ua8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ua8 1
1 5ua8.mr . . XPLOR/CNS 2 distance NOE simple 577 parsed_5ua8 1
1 5ua8.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_5ua8 1
1 5ua8.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ua8 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ua8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.78 -52.76 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5ua8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.48 -53.14 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5ua8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.59 -48.65 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5ua8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.24 -52.92 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5ua8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.44 -57.76 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5ua8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.62 -51.90 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5ua8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.40 -39.46 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5ua8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.07 -48.15 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5ua8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.52 -54.82 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5ua8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.02 -49.28 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5ua8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.55 -57.59 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5ua8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.09 -53.25 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5ua8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.20 -51.40 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5ua8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.02 -50.10 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5ua8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.49 -49.19 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5ua8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.23 -50.61 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5ua8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.66 -53.36 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5ua8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.36 -55.04 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5ua8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.44 -59.18 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5ua8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.96 -48.32 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_5ua8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.47 -45.75 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_5ua8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.53 -58.03 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_5ua8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.64 -25.62 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5ua8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.30 -33.30 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5ua8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.80 -26.08 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5ua8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.19 -28.43 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5ua8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.83 -29.77 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5ua8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.92 -38.24 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5ua8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.92 -16.88 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5ua8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.36 -39.04 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5ua8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.94 -29.82 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5ua8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.73 -37.05 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5ua8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.37 -27.31 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5ua8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.25 -28.55 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5ua8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.85 -23.99 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5ua8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.26 -5.56 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5ua8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.99 -28.67 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5ua8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.61 -14.71 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5ua8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.79 -33.17 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5ua8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.49 -32.25 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5ua8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.82 -34.30 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5ua8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.90 -28.14 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_5ua8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.04 0.04 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_5ua8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.62 -0.64 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_5ua8 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 "On my watch it's Sat Jun 4 20:49:34 2016." 2 1 3 2 parsed_5ua8 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 2: AngleRestraints.tbl" 1 1 1 40 parsed_5ua8 1
stop_
save_
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