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 |
|
|
622866 |
5y3u   |
36110 | cing | 2-parsed | STAR | dihedral angle | 34 |
data_5y3u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5y3u
_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_5y3u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5y3u
_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 5y3u "Master copy" parsed_5y3u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5y3u
_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 5y3u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5y3u 1
1 5y3u.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_5y3u 1
1 5y3u.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_5y3u 1
1 5y3u.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5y3u 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5y3u
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.24 . " A" 2 . C " A" 3 . N " A" 3 . CA " A" 3 . C parsed_5y3u 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.10 . " A" 3 . N " A" 3 . CA " A" 3 . C " A" 4 . N parsed_5y3u 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -43.54 . " A" 3 . C " A" 4 . N " A" 4 . CA " A" 4 . C parsed_5y3u 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.16 . " A" 4 . N " A" 4 . CA " A" 4 . C " A" 5 . N parsed_5y3u 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -49.62 . " A" 4 . C " A" 5 . N " A" 5 . CA " A" 5 . C parsed_5y3u 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.00 . " A" 5 . N " A" 5 . CA " A" 5 . C " A" 6 . N parsed_5y3u 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.66 . " A" 5 . C " A" 6 . N " A" 6 . CA " A" 6 . C parsed_5y3u 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.98 . " A" 6 . N " A" 6 . CA " A" 6 . C " A" 7 . N parsed_5y3u 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -36.86 . " A" 6 . C " A" 7 . N " A" 7 . CA " A" 7 . C parsed_5y3u 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.30 . " A" 7 . N " A" 7 . CA " A" 7 . C " A" 8 . N parsed_5y3u 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -38.62 . " A" 7 . C " A" 8 . N " A" 8 . CA " A" 8 . C parsed_5y3u 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.54 . " A" 8 . N " A" 8 . CA " A" 8 . C " A" 9 . N parsed_5y3u 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -31.54 . " A" 8 . C " A" 9 . N " A" 9 . CA " A" 9 . C parsed_5y3u 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -2.36 . " A" 9 . N " A" 9 . CA " A" 9 . C " A" 10 . N parsed_5y3u 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -24.88 . " A" 9 . C " A" 10 . N " A" 10 . CA " A" 10 . C parsed_5y3u 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.10 . " A" 10 . N " A" 10 . CA " A" 10 . C " A" 11 . N parsed_5y3u 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -36.56 . " A" 10 . C " A" 11 . N " A" 11 . CA " A" 11 . C parsed_5y3u 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.90 . " A" 11 . N " A" 11 . CA " A" 11 . C " A" 12 . N parsed_5y3u 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -27.30 . " A" 11 . C " A" 12 . N " A" 12 . CA " A" 12 . C parsed_5y3u 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -11.30 . " A" 12 . N " A" 12 . CA " A" 12 . C " A" 13 . N parsed_5y3u 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -52.34 . " A" 12 . C " A" 13 . N " A" 13 . CA " A" 13 . C parsed_5y3u 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -4.38 . " A" 13 . N " A" 13 . CA " A" 13 . C " A" 14 . N parsed_5y3u 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -27.90 . " A" 13 . C " A" 14 . N " A" 14 . CA " A" 14 . C parsed_5y3u 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 4.82 . " A" 14 . N " A" 14 . CA " A" 14 . C " A" 15 . N parsed_5y3u 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -30.26 . " A" 14 . C " A" 15 . N " A" 15 . CA " A" 15 . C parsed_5y3u 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 9.74 . " A" 15 . N " A" 15 . CA " A" 15 . C " A" 16 . N parsed_5y3u 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -40.68 . " A" 15 . C " A" 16 . N " A" 16 . CA " A" 16 . C parsed_5y3u 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 180.48 . " A" 16 . N " A" 16 . CA " A" 16 . C " A" 17 . N parsed_5y3u 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -20.96 . " A" 16 . C " A" 17 . N " A" 17 . CA " A" 17 . C parsed_5y3u 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 155.22 . " A" 17 . N " A" 17 . CA " A" 17 . C " A" 18 . N parsed_5y3u 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -35.32 . " A" 18 . C " A" 19 . N " A" 19 . CA " A" 19 . C parsed_5y3u 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 8.86 . " A" 19 . N " A" 19 . CA " A" 19 . C " A" 20 . N parsed_5y3u 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -49.94 . " A" 19 . C " A" 20 . N " A" 20 . CA " A" 20 . C parsed_5y3u 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 199.90 . " A" 20 . N " A" 20 . CA " A" 20 . C " A" 21 . N parsed_5y3u 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: 22pep_bound_dihedral.tbl" 1 1 1 45 parsed_5y3u 1
stop_
save_
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