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 |
|
|
49887 |
2jwv   |
15538 | cing | 2-parsed | STAR | dipolar coupling | 19 |
data_2jwv_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jwv
_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_2jwv 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jwv
_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 2jwv "Master copy" parsed_2jwv
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jwv
_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 2jwv.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jwv 1
1 2jwv.mr . . XPLOR/CNS 2 distance NOE simple 549 parsed_2jwv 1
1 2jwv.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 41 parsed_2jwv 1
1 2jwv.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 179 parsed_2jwv 1
1 2jwv.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 19 parsed_2jwv 1
1 2jwv.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jwv 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2jwv
_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 . . . . . . . . . . . . . . . . 13.700 13.2000 14.2000 . . . 1 . C8 . 1 . H8 parsed_2jwv 1
2 . . . . . . . . . . . . . . . . 15.100 14.6000 15.6000 . . . 2 . C8 . 2 . H8 parsed_2jwv 1
3 . . . . . . . . . . . . . . . . 11.000 10.7000 11.5000 . . . 3 . C6 . 3 . H6 parsed_2jwv 1
4 . . . . . . . . . . . . . . . . 12.900 12.4000 13.4000 . . . 4 . C8 . 4 . H8 parsed_2jwv 1
5 . . . . . . . . . . . . . . . . 16.900 16.4000 17.4000 . . . 5 . C8 . 5 . H8 parsed_2jwv 1
6 . . . . . . . . . . . . . . . . 19.700 18.6000 20.8000 . . . 7 . C6 . 7 . H6 parsed_2jwv 1
7 . . . . . . . . . . . . . . . . 21.600 21.2000 22.0000 . . . 25 . C8 . 25 . H8 parsed_2jwv 1
8 . . . . . . . . . . . . . . . . 16.700 15.700 17.700 . . . 26 . C6 . 26 . H6 parsed_2jwv 1
9 . . . . . . . . . . . . . . . . 14.2000 13.2000 15.2000 . . . 27 . C8 . 27 . H8 parsed_2jwv 1
10 . . . . . . . . . . . . . . . . 15.300 14.9000 15.7000 . . . 28 . C6 . 28 . H6 parsed_2jwv 1
11 . . . . . . . . . . . . . . . . 8.000 7.5000 8.5000 . . . 29 . C6 . 29 . H6 parsed_2jwv 1
12 . . . . . . . . . . . . . . . . 13.300 11.8000 13.8000 . . . 2 . C2 . 2 . H2 parsed_2jwv 1
13 . . . . . . . . . . . . . . . . 18.900 17.4000 19.4000 . . . 27 . C2 . 27 . H2 parsed_2jwv 1
14 . . . . . . . . . . . . . . . . -16.200 -17.4000 -15.0000 . . . 4 . C1' . 4 . H1' parsed_2jwv 1
15 . . . . . . . . . . . . . . . . -12.700 -13.9000 -11.5000 . . . 29 . C1' . 29 . H1' parsed_2jwv 1
16 . . . . . . . . . . . . . . . . 12.800 11.6000 14.0000 . . . 28 . C2' . 28 . H2' parsed_2jwv 1
17 . . . . . . . . . . . . . . . . 10.200 8.7000 11.7000 . . . 4 . C3' . 4 . H3' parsed_2jwv 1
18 . . . . . . . . . . . . . . . . 9.4000 8.4000 10.4000 . . . 29 . C3' . 29 . H3' parsed_2jwv 1
19 . . . . . . . . . . . . . . . . -19.8000 -20.8000 -18.8000 . . . 5 . C5' . 5 . H5' parsed_2jwv 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
;
Maher-Cassiday Aptamer
C6/8 RDCs
;
1 1 2 11 parsed_2jwv 1
2
;
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 C6 )
( resid 6 and name H6 ) 25.800 0.5000 0.5000
;
40 1 45 62 parsed_2jwv 1
3 "C2 RDCs" 89 1 89 9 parsed_2jwv 1
4 "C1' RDCs" 106 1 106 10 parsed_2jwv 1
5 "C2' RDCs" 122 1 122 10 parsed_2jwv 1
6 "C3' RDCs" 131 1 131 10 parsed_2jwv 1
7 "C5' RDCs" 147 1 147 10 parsed_2jwv 1
stop_
save_
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