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 |
|
|
641560 |
6pip   |
30621 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_6pip_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6pip
_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_6pip 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6pip
_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 6pip "Master copy" parsed_6pip
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6pip
_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 6pip.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pip 1
1 6pip.mr . . XPLOR/CNS 2 distance NOE simple 229 parsed_6pip 1
1 6pip.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_6pip 1
1 6pip.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pip 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6pip
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6pip 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6pip 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -110.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6pip 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 180.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6pip 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6pip 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6pip 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6pip 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6pip 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6pip 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6pip 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -110.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6pip 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 180.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6pip 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -100.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6pip 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6pip 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 70.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6pip 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 60.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6pip 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 100.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6pip 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6pip 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6pip 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6pip 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6pip 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6pip 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6pip 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6pip 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6pip 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 150.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6pip 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -80.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6pip 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6pip 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -110.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6pip 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 170.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6pip 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -50.0 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6pip 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 170.0 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6pip 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6pip 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_6pip 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_6pip 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_6pip 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 "assign (resid 17 and name HG#) (resid 18 and name HN) 3.215 1.415 1.415" 2 1 2 86 parsed_6pip 1
stop_
save_
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