NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52949 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 42 |
data_2oed_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oed
_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_2oed 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oed
_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 2oed "Master copy" parsed_2oed
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oed
_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 2oed.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . n/a 2 protocol "structure calculation" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 87 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 131 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 88 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 44 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 41 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 46 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 43 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 45 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 42 parsed_2oed 1
1 2oed.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oed 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_19
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2oed
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 19
_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 . . . . . . . . . . . . . . . . 15.140 14.140 16.140 . . GB3N 3 . HN GB3N 3 . N parsed_2oed 1
2 . . . . . . . . . . . . . . . . 18.345 17.345 19.345 . . GB3N 4 . HN GB3N 4 . N parsed_2oed 1
3 . . . . . . . . . . . . . . . . 8.644 7.644 9.644 . . GB3N 5 . HN GB3N 5 . N parsed_2oed 1
4 . . . . . . . . . . . . . . . . 10.578 9.578 11.578 . . GB3N 6 . HN GB3N 6 . N parsed_2oed 1
5 . . . . . . . . . . . . . . . . 1.981 0.981 2.981 . . GB3N 7 . HN GB3N 7 . N parsed_2oed 1
6 . . . . . . . . . . . . . . . . 0.314 -0.686 1.314 . . GB3N 8 . HN GB3N 8 . N parsed_2oed 1
7 . . . . . . . . . . . . . . . . -0.347 -1.347 0.653 . . GB3N 9 . HN GB3N 9 . N parsed_2oed 1
8 . . . . . . . . . . . . . . . . 5.219 4.219 6.219 . . GB3N 12 . HN GB3N 12 . N parsed_2oed 1
9 . . . . . . . . . . . . . . . . 10.723 9.723 11.723 . . GB3N 13 . HN GB3N 13 . N parsed_2oed 1
10 . . . . . . . . . . . . . . . . 10.128 9.128 11.128 . . GB3N 14 . HN GB3N 14 . N parsed_2oed 1
11 . . . . . . . . . . . . . . . . 12.925 11.925 13.925 . . GB3N 16 . HN GB3N 16 . N parsed_2oed 1
12 . . . . . . . . . . . . . . . . 16.826 15.826 17.826 . . GB3N 17 . HN GB3N 17 . N parsed_2oed 1
13 . . . . . . . . . . . . . . . . 19.034 18.034 20.034 . . GB3N 18 . HN GB3N 18 . N parsed_2oed 1
14 . . . . . . . . . . . . . . . . 18.853 17.853 19.853 . . GB3N 19 . HN GB3N 19 . N parsed_2oed 1
15 . . . . . . . . . . . . . . . . 12.745 11.745 13.745 . . GB3N 20 . HN GB3N 20 . N parsed_2oed 1
16 . . . . . . . . . . . . . . . . 13.011 12.011 14.011 . . GB3N 21 . HN GB3N 21 . N parsed_2oed 1
17 . . . . . . . . . . . . . . . . 16.357 15.357 17.357 . . GB3N 22 . HN GB3N 22 . N parsed_2oed 1
18 . . . . . . . . . . . . . . . . 17.196 16.196 18.196 . . GB3N 23 . HN GB3N 23 . N parsed_2oed 1
19 . . . . . . . . . . . . . . . . -4.470 -5.470 -3.470 . . GB3N 28 . HN GB3N 28 . N parsed_2oed 1
20 . . . . . . . . . . . . . . . . 9.454 8.454 10.454 . . GB3N 29 . HN GB3N 29 . N parsed_2oed 1
21 . . . . . . . . . . . . . . . . 12.013 11.013 13.013 . . GB3N 30 . HN GB3N 30 . N parsed_2oed 1
22 . . . . . . . . . . . . . . . . -3.259 -4.259 -2.259 . . GB3N 31 . HN GB3N 31 . N parsed_2oed 1
23 . . . . . . . . . . . . . . . . -5.652 -6.652 -4.652 . . GB3N 32 . HN GB3N 32 . N parsed_2oed 1
24 . . . . . . . . . . . . . . . . 7.249 6.249 8.249 . . GB3N 33 . HN GB3N 33 . N parsed_2oed 1
25 . . . . . . . . . . . . . . . . 6.827 5.827 7.827 . . GB3N 34 . HN GB3N 34 . N parsed_2oed 1
26 . . . . . . . . . . . . . . . . -1.878 -2.878 -0.878 . . GB3N 36 . HN GB3N 36 . N parsed_2oed 1
27 . . . . . . . . . . . . . . . . 15.613 14.613 16.613 . . GB3N 37 . HN GB3N 37 . N parsed_2oed 1
28 . . . . . . . . . . . . . . . . -13.673 -14.673 -12.673 . . GB3N 38 . HN GB3N 38 . N parsed_2oed 1
29 . . . . . . . . . . . . . . . . -9.537 -10.537 -8.537 . . GB3N 42 . HN GB3N 42 . N parsed_2oed 1
30 . . . . . . . . . . . . . . . . 0.143 -0.857 1.143 . . GB3N 43 . HN GB3N 43 . N parsed_2oed 1
31 . . . . . . . . . . . . . . . . 8.604 7.604 9.604 . . GB3N 44 . HN GB3N 44 . N parsed_2oed 1
32 . . . . . . . . . . . . . . . . 9.521 8.521 10.521 . . GB3N 45 . HN GB3N 45 . N parsed_2oed 1
33 . . . . . . . . . . . . . . . . 14.096 13.096 15.096 . . GB3N 46 . HN GB3N 46 . N parsed_2oed 1
34 . . . . . . . . . . . . . . . . 3.498 2.498 4.498 . . GB3N 47 . HN GB3N 47 . N parsed_2oed 1
35 . . . . . . . . . . . . . . . . -13.468 -14.468 -12.468 . . GB3N 48 . HN GB3N 48 . N parsed_2oed 1
36 . . . . . . . . . . . . . . . . -8.976 -9.976 -7.976 . . GB3N 49 . HN GB3N 49 . N parsed_2oed 1
37 . . . . . . . . . . . . . . . . 14.134 13.134 15.134 . . GB3N 50 . HN GB3N 50 . N parsed_2oed 1
38 . . . . . . . . . . . . . . . . 17.133 16.133 18.133 . . GB3N 51 . HN GB3N 51 . N parsed_2oed 1
39 . . . . . . . . . . . . . . . . 8.868 7.868 9.868 . . GB3N 52 . HN GB3N 52 . N parsed_2oed 1
40 . . . . . . . . . . . . . . . . 8.133 7.133 9.133 . . GB3N 53 . HN GB3N 53 . N parsed_2oed 1
41 . . . . . . . . . . . . . . . . 3.354 2.354 4.354 . . GB3N 54 . HN GB3N 54 . N parsed_2oed 1
42 . . . . . . . . . . . . . . . . 3.381 2.381 4.381 . . GB3N 55 . HN GB3N 55 . N parsed_2oed 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 rcds_E_NHN.dat 2 1 2 17 parsed_2oed 1
2
;
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 10 and name HN )
( segi GB3N and resi 10 and name N ) -1.895 1.0 1.0
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 11 and name HN )
( segi GB3N and resi 11 and name N ) -7.125 1.0 1.0
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 24 and name HN )
( segi GB3N and resi 24 and name N ) 0.695 1.0 1.0
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 26 and name HN )
( segi GB3N and resi 26 and name N ) 15.966 1.0 1.0
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 39 and name HN )
( segi GB3N and resi 39 and name N ) -20.068 1.0 1.0
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 40 and name HN )
( segi GB3N and resi 40 and name N ) -15.864 1.0 1.0
assign ( resi 505 and name OO )
( resi 505 and name Z )
( resi 505 and name X )
( resi 505 and name Y )
( segi GB3N and resi 41 and name HN )
( segi GB3N and resi 41 and name N ) -14.876 1.0 1.0
;
297 1 297 1 parsed_2oed 1
stop_
save_
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