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 |
|
|
33933 |
1j5n   |
4869 | cing | 2-parsed | STAR | dihedral angle | 3 |
data_1j5n_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1j5n
_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_1j5n 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1j5n
_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 1j5n "Master copy" parsed_1j5n
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1j5n
_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 1j5n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 2 distance NOE ambi 2854 parsed_1j5n 1
1 1j5n.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 76 parsed_1j5n 1
1 1j5n.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 102 parsed_1j5n 1
1 1j5n.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1j5n 1
1 1j5n.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1j5n 1
1 1j5n.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . XPLOR/CNS 13 planarity "Not applicable" "Not applicable" 0 parsed_1j5n 1
1 1j5n.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j5n 1
stop_
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1j5n
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 260.0 . . $n . P . $n . O5' . $n . C5' . $n . C4' parsed_1j5n 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 255.0 . . $n . O5' . $n . C5' . $n . C4' . $n . C3' parsed_1j5n 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . $n . C4' . $n . C3' . $n . O3' . $n1 . P parsed_1j5n 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 "below: weight target range exponent" 4 29 4 29 parsed_1j5n 1
2 gamma 7 1 7 1 parsed_1j5n 1
3 "(resid $n1 and name P ) 40.0 225.0 75.0 2" 21 1 21 58 parsed_1j5n 1
4 epsilon 15 1 15 1 parsed_1j5n 1
5 "use wider range to be sure no artificial bias" 22 61 22 107 parsed_1j5n 1
stop_
save_
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