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 |
|
|
38119 |
1qwa   |
cing | 2-parsed | STAR | dipolar coupling | 19 |
data_1qwa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qwa
_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_1qwa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qwa
_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 1qwa "Master copy" parsed_1qwa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qwa
_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 1qwa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 2 distance NOE simple 490 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 46 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 71 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_1qwa 1
1 1qwa.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 19 parsed_1qwa 1
1 1qwa.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qwa 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_7
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1qwa
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . 15.53 14.03 17.03 . . . 1 . H8 . 1 . C8 parsed_1qwa 1
2 . . . . . . . . . . . . . . . . 4.52 3.02 6.02 . . . 2 . H8 . 2 . C8 parsed_1qwa 1
3 . . . . . . . . . . . . . . . . 11.52 10.02 13.02 . . . 3 . H8 . 3 . C8 parsed_1qwa 1
4 . . . . . . . . . . . . . . . . 7.01 5.51 8.51 . . . 3 . H2 . 3 . C2 parsed_1qwa 1
5 . . . . . . . . . . . . . . . . 9.02 7.52 10.52 . . . 4 . H5 . 4 . C5 parsed_1qwa 1
6 . . . . . . . . . . . . . . . . 32.54 31.04 34.04 . . . 5 . H8 . 5 . C8 parsed_1qwa 1
7 . . . . . . . . . . . . . . . . 29.05 27.55 30.55 . . . 6 . H6 . 6 . C6 parsed_1qwa 1
8 . . . . . . . . . . . . . . . . 19.52 18.02 21.02 . . . 8 . H5 . 8 . C5 parsed_1qwa 1
9 . . . . . . . . . . . . . . . . -0.65 -2.65 1.35 . . . 10 . H1' . 10 . C1' parsed_1qwa 1
10 . . . . . . . . . . . . . . . . 8.51 7.01 10.01 . . . 10 . H6 . 10 . C6 parsed_1qwa 1
11 . . . . . . . . . . . . . . . . 4.51 3.01 6.01 . . . 10 . H5 . 10 . C5 parsed_1qwa 1
12 . . . . . . . . . . . . . . . . 12.52 11.02 14.02 . . . 11 . H6 . 11 . C6 parsed_1qwa 1
13 . . . . . . . . . . . . . . . . -33.09 -35.09 -31.09 . . . 11 . H1' . 11 . C1' parsed_1qwa 1
14 . . . . . . . . . . . . . . . . 22.02 20.52 23.52 . . . 13 . H2 . 13 . C2 parsed_1qwa 1
15 . . . . . . . . . . . . . . . . 13.52 12.02 15.02 . . . 14 . H8 . 14 . C8 parsed_1qwa 1
16 . . . . . . . . . . . . . . . . -7.96 -9.96 -5.96 . . . 14 . H1' . 14 . C1' parsed_1qwa 1
17 . . . . . . . . . . . . . . . . 13.02 11.52 14.52 . . . 16 . H8 . 16 . C8 parsed_1qwa 1
18 . . . . . . . . . . . . . . . . 25.03 23.53 26.53 . . . 18 . H2 . 18 . C2 parsed_1qwa 1
19 . . . . . . . . . . . . . . . . 34.51 33.01 36.01 . . . 19 . H5 . 19 . C5 parsed_1qwa 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 1 and name H1' )
( resid 1 and name C1' ) -9.47 2.0 2.0
;
9 1 14 52 parsed_1qwa 1
2
;
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 H8 )
( resid 13 and name C8 ) 21.52 1.5 1.5
;
100 1 105 54 parsed_1qwa 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name H6 )
( resid 15 and name C6 ) -4.49 2.5 2.5
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name H5 )
( resid 15 and name C5 ) -5.98 1.5 1.5
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 15 and name H1' )
( resid 15 and name C1' ) -12.17 2.0 2.0
;
128 1 147 55 parsed_1qwa 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name H8 )
( resid 18 and name C8 ) 26.03 1.5 1.5
;
156 1 161 55 parsed_1qwa 1
stop_
save_
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