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 |
|
|
640046 |
6ht4   |
30037 | cing | 2-parsed | STAR | dihedral angle | 14 |
data_6ht4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ht4
_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_6ht4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ht4
_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 6ht4 "Master copy" parsed_6ht4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ht4
_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 6ht4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ht4 1
1 6ht4.mr . . XPLOR/CNS 2 distance NOE simple 100 parsed_6ht4 1
1 6ht4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_6ht4 1
1 6ht4.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ht4 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ht4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 309 . C . 310 . N . 310 . CA . 310 . C parsed_6ht4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 163.2 . . 310 . N . 310 . CA . 310 . C . 311 . N parsed_6ht4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -40.5 . . 310 . C . 311 . N . 311 . CA . 311 . C parsed_6ht4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.5 0.7 . . 311 . N . 311 . CA . 311 . C . 312 . N parsed_6ht4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -80.0 . . 311 . C . 312 . N . 312 . CA . 312 . C parsed_6ht4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.3 39.1 . . 312 . N . 312 . CA . 312 . C . 313 . N parsed_6ht4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -53.4 . . 313 . C . 314 . N . 314 . CA . 314 . C parsed_6ht4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.7 160.7 . . 314 . N . 314 . CA . 314 . C . 315 . N parsed_6ht4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.4 -68.4 . . 315 . C . 316 . N . 316 . CA . 316 . C parsed_6ht4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.3 31.9 . . 316 . N . 316 . CA . 316 . C . 317 . N parsed_6ht4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.5 -53.9 . . 317 . C . 318 . N . 318 . CA . 318 . C parsed_6ht4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.7 155.7 . . 318 . N . 318 . CA . 318 . C . 319 . N parsed_6ht4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -49.4 . . 318 . C . 319 . N . 319 . CA . 319 . C parsed_6ht4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.4 174.4 . . 319 . N . 319 . CA . 319 . C . 320 . N parsed_6ht4 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: pepD2JFH1-2015-sansHa.tbl" 1 1 1 46 parsed_6ht4 1
stop_
save_
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