Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
545234 | 2lqz RC | 18336 | cing | 2-parsed | STAR | dipolar coupling | 28 |
data_2lqz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lqz
_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_2lqz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lqz
_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 2lqz "Master copy" parsed_2lqz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lqz
_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 2lqz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 2 distance NOE simple 429 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 42 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 18 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 28 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lqz 1
1 2lqz.mr . . XPLOR/CNS 10 planarity "Not applicable" "Not applicable" 0 parsed_2lqz 1
1 2lqz.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lqz 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lqz
_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 . . . . . . . . . . . . . . . . 19.300 . . . . . 4 . C6 . 4 . H6 parsed_2lqz 1
2 . . . . . . . . . . . . . . . . 15.100 . . . . . 5 . C6 . 5 . H6 parsed_2lqz 1
3 . . . . . . . . . . . . . . . . 12.600 . . . . . 10 . C6 . 10 . H6 parsed_2lqz 1
4 . . . . . . . . . . . . . . . . 12.800 . . . . . 11 . C6 . 11 . H6 parsed_2lqz 1
5 . . . . . . . . . . . . . . . . 13.300 . . . . . 12 . C8 . 12 . H8 parsed_2lqz 1
6 . . . . . . . . . . . . . . . . 13.700 . . . . . 13 . C6 . 13 . H6 parsed_2lqz 1
7 . . . . . . . . . . . . . . . . 14.900 . . . . . 14 . C6 . 14 . H6 parsed_2lqz 1
8 . . . . . . . . . . . . . . . . 12.200 . . . . . 15 . C6 . 15 . H6 parsed_2lqz 1
9 . . . . . . . . . . . . . . . . 9.300 . . . . . 16 . C6 . 16 . H6 parsed_2lqz 1
10 . . . . . . . . . . . . . . . . 14.800 . . . . . 17 . C8 . 17 . H8 parsed_2lqz 1
11 . . . . . . . . . . . . . . . . 18.700 . . . . . 18 . C8 . 18 . H8 parsed_2lqz 1
12 . . . . . . . . . . . . . . . . 15.700 . . . . . 19 . C6 . 19 . H6 parsed_2lqz 1
13 . . . . . . . . . . . . . . . . 14.100 . . . . . 20 . C8 . 20 . H8 parsed_2lqz 1
14 . . . . . . . . . . . . . . . . 15.500 . . . . . 21 . C8 . 21 . H8 parsed_2lqz 1
15 . . . . . . . . . . . . . . . . 16.800 . . . . . 23 . C8 . 23 . H8 parsed_2lqz 1
16 . . . . . . . . . . . . . . . . 14.400 . . . . . 24 . C8 . 24 . H8 parsed_2lqz 1
17 . . . . . . . . . . . . . . . . 12.600 . . . . . 25 . C6 . 25 . H6 parsed_2lqz 1
18 . . . . . . . . . . . . . . . . 11.900 . . . . . 3 . C2 . 3 . H2 parsed_2lqz 1
19 . . . . . . . . . . . . . . . . 14.400 . . . . . 20 . C2 . 20 . H2 parsed_2lqz 1
20 . . . . . . . . . . . . . . . . 13.900 . . . . . 21 . C2 . 21 . H2 parsed_2lqz 1
21 . . . . . . . . . . . . . . . . 15.900 . . . . . 22 . C2 . 22 . H2 parsed_2lqz 1
22 . . . . . . . . . . . . . . . . 19.000 . . . . . 23 . C2 . 23 . H2 parsed_2lqz 1
23 . . . . . . . . . . . . . . . . -13.7 . . . . . 17 . C1' . 17 . H1' parsed_2lqz 1
24 . . . . . . . . . . . . . . . . -9.23 . . . . . 24 . C1' . 24 . H1' parsed_2lqz 1
25 . . . . . . . . . . . . . . . . -19.01 . . . . . 18 . C1' . 18 . H1' parsed_2lqz 1
26 . . . . . . . . . . . . . . . . 11.82 . . . . . 3 . C1' . 3 . H1' parsed_2lqz 1
27 . . . . . . . . . . . . . . . . 12.9 . . . . . 12 . C1' . 12 . H1' parsed_2lqz 1
28 . . . . . . . . . . . . . . . . -7.810 . . . . . 20 . C1' . 20 . H1' parsed_2lqz 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 7 and name C6 )
( resid 7 and name H6 ) 9.100 5.0000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C8 )
( resid 9 and name H8 ) 6.900 5.0000
;
13 1 24 51 parsed_2lqz 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 26 and name C6 )
( resid 26 and name H6 ) 2.700 5.0000
new ADE H2
;
115 1 121 12 parsed_2lqz 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 9 and name C2 )
( resid 9 and name H2 ) 7.400 5.0000
;
128 1 133 51 parsed_2lqz 1
4 N1N3 168 8 168 13 parsed_2lqz 1
stop_
save_