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 |
|
|
639264 |
6dul   |
30482 | cing | 2-parsed | STAR | dihedral angle | 24 |
data_6dul_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6dul
_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_6dul 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6dul
_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 6dul "Master copy" parsed_6dul
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6dul
_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 6dul.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6dul 1
1 6dul.mr . . XPLOR/CNS 2 distance NOE simple 219 parsed_6dul 1
1 6dul.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_6dul 1
1 6dul.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6dul 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6dul
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.943 -57.031 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_6dul 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.058 -57.642 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_6dul 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.387 -54.803 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_6dul 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.080 -59.768 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_6dul 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.161 -57.755 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_6dul 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.165 -57.749 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_6dul 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.196 -59.862 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_6dul 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.918 -59.528 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6dul 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.550 -55.422 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_6dul 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.643 -52.891 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_6dul 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.950 -60.048 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_6dul 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.204 -70.676 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_6dul 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.248 -103.306 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_6dul 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.774 -24.662 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_6dul 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.091 -37.421 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_6dul 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.124 -38.726 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_6dul 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.157 -37.077 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_6dul 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.620 -25.160 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_6dul 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.556 -36.836 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_6dul 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.296 -39.366 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_6dul 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.846 -36.022 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_6dul 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.602 -21.304 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_6dul 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.447 -25.525 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_6dul 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.779 -9.457 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_6dul 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
;
PHI
MONOMER A
;
2 1 3 11 parsed_6dul 1
2
;
PSi
MONOMER A
;
29 1 31 11 parsed_6dul 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: phiepsi_1.tbl" 1 1 1 34 parsed_6dul 1
stop_
save_
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