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 |
|
|
36950 |
1opq   |
cing | 2-parsed | STAR | dipolar coupling | 20 |
data_1opq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1opq
_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_1opq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1opq
_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 1opq "Master copy" parsed_1opq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1opq
_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 1opq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 89 parsed_1opq 1
1 1opq.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 64 parsed_1opq 1
1 1opq.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 7 distance NOE simple 25 parsed_1opq 1
1 1opq.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 9 distance NOE simple 289 parsed_1opq 1
1 1opq.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 11 planarity "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 20 parsed_1opq 1
1 1opq.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1opq 1
1 1opq.mr . . XPLOR/CNS 15 distance NOE simple 0 parsed_1opq 1
1 1opq.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1opq 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_13
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1opq
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 13
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 8.15 . . . . . 2 . C6 . 2 . H6 parsed_1opq 1
2 . . . . . . . . . . . . . . . . 5.38 . . . . . 4 . C8 . 4 . H8 parsed_1opq 1
3 . . . . . . . . . . . . . . . . 9.92 . . . . . 6 . C2 . 6 . H2 parsed_1opq 1
4 . . . . . . . . . . . . . . . . -0.61 . . . . . 7 . C6 . 7 . H6 parsed_1opq 1
5 . . . . . . . . . . . . . . . . -0.75 . . . . . 8 . C5 . 8 . H5 parsed_1opq 1
6 . . . . . . . . . . . . . . . . 0.12 . . . . . 8 . C6 . 8 . H6 parsed_1opq 1
7 . . . . . . . . . . . . . . . . 0.76 . . . . . 9 . C6 . 9 . H6 parsed_1opq 1
8 . . . . . . . . . . . . . . . . 0.75 . . . . . 11 . C1' . 11 . H1' parsed_1opq 1
9 . . . . . . . . . . . . . . . . -6.63 . . . . . 11 . C5 . 11 . H5 parsed_1opq 1
10 . . . . . . . . . . . . . . . . 2.56 . . . . . 11 . C6 . 11 . H6 parsed_1opq 1
11 . . . . . . . . . . . . . . . . 6.18 . . . . . 15 . C5 . 15 . H5 parsed_1opq 1
12 . . . . . . . . . . . . . . . . 6.49 . . . . . 15 . C6 . 15 . H6 parsed_1opq 1
13 . . . . . . . . . . . . . . . . 0.23 . . . . . 18 . C2 . 18 . H2 parsed_1opq 1
14 . . . . . . . . . . . . . . . . 5.80 . . . . . 18 . C8 . 18 . H8 parsed_1opq 1
15 . . . . . . . . . . . . . . . . -1.35 . . . . . 20 . C3' . 20 . H3' parsed_1opq 1
16 . . . . . . . . . . . . . . . . 3.92 . . . . . 20 . C5 . 20 . H5 parsed_1opq 1
17 . . . . . . . . . . . . . . . . 0.48 . . . . . 20 . C6 . 20 . H6 parsed_1opq 1
18 . . . . . . . . . . . . . . . . 2.11 . . . . . 21 . C6 . 21 . H6 parsed_1opq 1
19 . . . . . . . . . . . . . . . . 11.76 . . . . . 22 . C5 . 22 . H5 parsed_1opq 1
20 . . . . . . . . . . . . . . . . 4.42 . . . . . 22 . C6 . 22 . H6 parsed_1opq 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 12 and name C1' )
( resid 12 and name H1' ) 0.00 1.00
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 12 and name C3' )
( resid 12 and name H3' ) 0.00 1.00
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name C5 )
( resid 13 and name H5 ) -1.79 1.00
;
72 1 91 49 parsed_1opq 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C1' )
( resid 24 and name H1' ) 0.15 1.00
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C4' )
( resid 24 and name H4' ) 0.00 1.00
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 24 and name C5 )
( resid 24 and name H5 ) 6.78 1.00
;
163 1 182 48 parsed_1opq 1
stop_
save_
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