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 |
|
|
30012 |
1bor   |
cing | 2-parsed | STAR | dihedral angle | 25 |
data_1bor_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bor
_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_1bor 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bor
_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 1bor "Master copy" parsed_1bor
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bor
_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 1bor.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bor 1
1 1bor.mr . . XPLOR/CNS 2 distance NOE simple 196 parsed_1bor 1
1 1bor.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 25 parsed_1bor 1
1 1bor.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_1bor 1
1 1bor.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bor 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bor
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1bor 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1bor 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -79.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1bor 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1bor 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -82.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1bor 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -87.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1bor 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -85.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1bor 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1bor 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -23.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_1bor 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -79.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_1bor 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_1bor 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -25.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1bor 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -78.0 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1bor 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -79.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1bor 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.0 213.0 . . 29 . N . 29 . CA . 29 . CB . 29 . CG parsed_1bor 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . N . 53 . CA . 53 . CB . 53 . CG parsed_1bor 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17.0 183.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_1bor 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 215.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_1bor 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.0 168.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_1bor 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 210.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1bor 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 180.0 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_1bor 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -215.0 -95.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1bor 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.0 191.0 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_1bor 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -78.0 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_1bor 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_1bor 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 26 and name N
(resid 26 and name CA)
(resid 26 and name C)
(resid 27 and name N) 1.0 90.0 55.0 2
;
81 1 84 42 parsed_1bor 1
stop_
save_
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