NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
640400 |
6k5r   |
cing | 2-parsed | STAR | dihedral angle | 20 |
data_6k5r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6k5r
_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_6k5r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6k5r
_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 6k5r "Master copy" parsed_6k5r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6k5r
_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 6k5r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6k5r 1
1 6k5r.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_6k5r 1
1 6k5r.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6k5r 1
1 6k5r.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6k5r 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6k5r
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 195 . c B 196 . n B 196 . ca B 196 . c parsed_6k5r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 196 . c B 197 . n B 197 . ca B 197 . c parsed_6k5r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 197 . c B 198 . n B 198 . ca B 198 . c parsed_6k5r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 198 . c B 199 . n B 199 . ca B 199 . c parsed_6k5r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 199 . c B 200 . n B 200 . ca B 200 . c parsed_6k5r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 200 . c B 201 . n B 201 . ca B 201 . c parsed_6k5r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 201 . c B 202 . n B 202 . ca B 202 . c parsed_6k5r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 202 . c B 203 . n B 203 . ca B 203 . c parsed_6k5r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 203 . c B 204 . n B 204 . ca B 204 . c parsed_6k5r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 204 . c B 205 . n B 205 . ca B 205 . c parsed_6k5r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 196 . n B 196 . ca B 196 . c B 197 . n parsed_6k5r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 197 . n B 197 . ca B 197 . c B 198 . n parsed_6k5r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 198 . n B 198 . ca B 198 . c B 199 . n parsed_6k5r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 199 . n B 199 . ca B 199 . c B 200 . n parsed_6k5r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 200 . n B 200 . ca B 200 . c B 201 . n parsed_6k5r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 201 . n B 201 . ca B 201 . c B 202 . n parsed_6k5r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 202 . n B 202 . ca B 202 . c B 203 . n parsed_6k5r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 203 . n B 203 . ca B 203 . c B 204 . n parsed_6k5r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 204 . n B 204 . ca B 204 . c B 205 . n parsed_6k5r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 205 . n B 205 . ca B 205 . c B 206 . n parsed_6k5r 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 DIHEDRAL RESTRAInTS
!195
;
2 1 3 7 parsed_6k5r 1
2 !197 6 1 6 6 parsed_6k5r 1
3 !198 9 1 9 6 parsed_6k5r 1
4 !199 12 2 12 7 parsed_6k5r 1
5 !200 15 3 15 8 parsed_6k5r 1
6 !201 18 3 18 8 parsed_6k5r 1
7 !202 21 3 21 8 parsed_6k5r 1
8 !203 24 3 24 8 parsed_6k5r 1
9 !204 27 3 27 8 parsed_6k5r 1
10 !205 30 3 30 8 parsed_6k5r 1
11
;
!! PSI DIHEDRAL RESTRAInTS
!196
;
34 1 35 6 parsed_6k5r 1
12 !197 39 1 39 6 parsed_6k5r 1
13 !198 43 1 43 6 parsed_6k5r 1
14 !199 47 1 47 6 parsed_6k5r 1
15 !200 50 1 50 6 parsed_6k5r 1
16 !201 53 1 53 6 parsed_6k5r 1
17 !202 56 1 56 6 parsed_6k5r 1
18 !203 59 1 59 6 parsed_6k5r 1
19 !204 62 1 62 6 parsed_6k5r 1
20 !205 65 1 65 6 parsed_6k5r 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: sim4_d.tbl" 1 1 1 31 parsed_6k5r 1
stop_
save_
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