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 |
|
|
51804 |
2kal   |
16834 | cing | 2-parsed | STAR | dipolar coupling | 22 |
data_2kal_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kal
_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_2kal 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kal
_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 2kal "Master copy" parsed_2kal
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kal
_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 2kal.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 3 distance NOE simple 320 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 32 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 22 parsed_2kal 1
1 2kal.mr . . XPLOR/CNS 6 planarity "Not applicable" "Not applicable" 0 parsed_2kal 1
1 2kal.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kal 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kal
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . 11.32 . . . . . 2 . C6 . 2 . H6 parsed_2kal 1
2 . . . . . . . . . . . . . . . . 2.26 . . . . . 4 . C8 . 4 . H8 parsed_2kal 1
3 . . . . . . . . . . . . . . . . 13.52 . . . . . 5 . C8 . 5 . H8 parsed_2kal 1
4 . . . . . . . . . . . . . . . . 18.56 . . . . . 19 . C6 . 19 . H6 parsed_2kal 1
5 . . . . . . . . . . . . . . . . 17.46 . . . . . 8 . C6 . 8 . H6 parsed_2kal 1
6 . . . . . . . . . . . . . . . . 14.25 . . . . . 9 . C6 . 9 . H6 parsed_2kal 1
7 . . . . . . . . . . . . . . . . 1.58 . . . . . 11 . C6 . 11 . H6 parsed_2kal 1
8 . . . . . . . . . . . . . . . . -0.91 . . . . . 15 . C6 . 15 . H6 parsed_2kal 1
9 . . . . . . . . . . . . . . . . 10.18 . . . . . 16 . C8 . 16 . H8 parsed_2kal 1
10 . . . . . . . . . . . . . . . . 14.25 . . . . . 17 . C8 . 17 . H8 parsed_2kal 1
11 . . . . . . . . . . . . . . . . 14.48 . . . . . 21 . C6 . 21 . H6 parsed_2kal 1
12 . . . . . . . . . . . . . . . . 15.51 . . . . . 2 . C5 . 2 . H5 parsed_2kal 1
13 . . . . . . . . . . . . . . . . 15.37 . . . . . 4 . C1' . 4 . H1' parsed_2kal 1
14 . . . . . . . . . . . . . . . . 13.12 . . . . . 6 . C1' . 6 . H1' parsed_2kal 1
15 . . . . . . . . . . . . . . . . 13.12 . . . . . 18 . C1' . 18 . H1' parsed_2kal 1
16 . . . . . . . . . . . . . . . . 9.27 . . . . . 8 . C5 . 8 . H5 parsed_2kal 1
17 . . . . . . . . . . . . . . . . 13.12 . . . . . 9 . C1' . 9 . H1' parsed_2kal 1
18 . . . . . . . . . . . . . . . . 7.34 . . . . . 11 . C5 . 11 . H5 parsed_2kal 1
19 . . . . . . . . . . . . . . . . 4.52 . . . . . 15 . C1' . 15 . H1' parsed_2kal 1
20 . . . . . . . . . . . . . . . . 12.27 . . . . . 17 . C1' . 17 . H1' parsed_2kal 1
21 . . . . . . . . . . . . . . . . 10.45 . . . . . 19 . C1' . 19 . H1' parsed_2kal 1
22 . . . . . . . . . . . . . . . . 6.59 . . . . . 21 . C1' . 21 . H1' parsed_2kal 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 6 and name C8 )
( resid 6 and name H8 ) 21.04 1.00
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name C6 )
( resid 7 and name H6 ) 18.56 1.00
;
22 1 34 49 parsed_2kal 1
2
;
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 C8 )
( resid 18 and name H8 ) 16.98 1.00
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C6 )
( resid 20 and name H6 ) 17.98 1.00
;
85 1 97 49 parsed_2kal 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 20 and name C5 )
( resid 20 and name H5 ) 26.02 1.00
;
176 1 181 49 parsed_2kal 1
4 "message=off echo=off" 190 1 190 28 parsed_2kal 1
stop_
save_
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