NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52942 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 46 |
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" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 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_12
_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 12
_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 . . . . . . . . . . . . . . . . 3.557 3.357 3.757 . . GB3N 2 . C GB3N 2 . CA parsed_2oed 1
2 . . . . . . . . . . . . . . . . -3.761 -3.961 -3.561 . . GB3N 3 . C GB3N 3 . CA parsed_2oed 1
3 . . . . . . . . . . . . . . . . 3.170 2.970 3.370 . . GB3N 4 . C GB3N 4 . CA parsed_2oed 1
4 . . . . . . . . . . . . . . . . -2.637 -2.837 -2.437 . . GB3N 5 . C GB3N 5 . CA parsed_2oed 1
5 . . . . . . . . . . . . . . . . 1.092 0.892 1.292 . . GB3N 6 . C GB3N 6 . CA parsed_2oed 1
6 . . . . . . . . . . . . . . . . -1.567 -1.767 -1.367 . . GB3N 7 . C GB3N 7 . CA parsed_2oed 1
7 . . . . . . . . . . . . . . . . 0.222 0.022 0.422 . . GB3N 8 . C GB3N 8 . CA parsed_2oed 1
8 . . . . . . . . . . . . . . . . -2.496 -2.696 -2.296 . . GB3N 9 . C GB3N 9 . CA parsed_2oed 1
9 . . . . . . . . . . . . . . . . -2.306 -2.506 -2.106 . . GB3N 12 . C GB3N 12 . CA parsed_2oed 1
10 . . . . . . . . . . . . . . . . 3.188 2.988 3.388 . . GB3N 13 . C GB3N 13 . CA parsed_2oed 1
11 . . . . . . . . . . . . . . . . -3.692 -3.892 -3.492 . . GB3N 14 . C GB3N 14 . CA parsed_2oed 1
12 . . . . . . . . . . . . . . . . 1.132 0.932 1.332 . . GB3N 15 . C GB3N 15 . CA parsed_2oed 1
13 . . . . . . . . . . . . . . . . -3.966 -4.166 -3.766 . . GB3N 16 . C GB3N 16 . CA parsed_2oed 1
14 . . . . . . . . . . . . . . . . -1.043 -1.243 -0.843 . . GB3N 17 . C GB3N 17 . CA parsed_2oed 1
15 . . . . . . . . . . . . . . . . -3.291 -3.491 -3.091 . . GB3N 18 . C GB3N 18 . CA parsed_2oed 1
16 . . . . . . . . . . . . . . . . 0.419 0.219 0.619 . . GB3N 19 . C GB3N 19 . CA parsed_2oed 1
17 . . . . . . . . . . . . . . . . -3.543 -3.743 -3.343 . . GB3N 20 . C GB3N 20 . CA parsed_2oed 1
18 . . . . . . . . . . . . . . . . 2.381 2.181 2.581 . . GB3N 21 . C GB3N 21 . CA parsed_2oed 1
19 . . . . . . . . . . . . . . . . -1.749 -1.949 -1.549 . . GB3N 22 . C GB3N 22 . CA parsed_2oed 1
20 . . . . . . . . . . . . . . . . 0.098 -0.102 0.298 . . GB3N 23 . C GB3N 23 . CA parsed_2oed 1
21 . . . . . . . . . . . . . . . . -1.802 -2.002 -1.602 . . GB3N 27 . C GB3N 27 . CA parsed_2oed 1
22 . . . . . . . . . . . . . . . . -0.165 -0.365 0.035 . . GB3N 28 . C GB3N 28 . CA parsed_2oed 1
23 . . . . . . . . . . . . . . . . -2.287 -2.487 -2.087 . . GB3N 29 . C GB3N 29 . CA parsed_2oed 1
24 . . . . . . . . . . . . . . . . 2.133 1.933 2.333 . . GB3N 30 . C GB3N 30 . CA parsed_2oed 1
25 . . . . . . . . . . . . . . . . -1.787 -1.987 -1.587 . . GB3N 31 . C GB3N 31 . CA parsed_2oed 1
26 . . . . . . . . . . . . . . . . -1.490 -1.690 -1.290 . . GB3N 32 . C GB3N 32 . CA parsed_2oed 1
27 . . . . . . . . . . . . . . . . 0.204 0.004 0.404 . . GB3N 33 . C GB3N 33 . CA parsed_2oed 1
28 . . . . . . . . . . . . . . . . -0.762 -0.962 -0.562 . . GB3N 34 . C GB3N 34 . CA parsed_2oed 1
29 . . . . . . . . . . . . . . . . -0.379 -0.579 -0.179 . . GB3N 35 . C GB3N 35 . CA parsed_2oed 1
30 . . . . . . . . . . . . . . . . -2.552 -2.752 -2.352 . . GB3N 36 . C GB3N 36 . CA parsed_2oed 1
31 . . . . . . . . . . . . . . . . 2.830 2.630 3.030 . . GB3N 37 . C GB3N 37 . CA parsed_2oed 1
32 . . . . . . . . . . . . . . . . 0.104 -0.096 0.304 . . GB3N 38 . C GB3N 38 . CA parsed_2oed 1
33 . . . . . . . . . . . . . . . . 2.270 2.070 2.470 . . GB3N 42 . C GB3N 42 . CA parsed_2oed 1
34 . . . . . . . . . . . . . . . . -2.329 -2.529 -2.129 . . GB3N 43 . C GB3N 43 . CA parsed_2oed 1
35 . . . . . . . . . . . . . . . . 3.125 2.925 3.325 . . GB3N 44 . C GB3N 44 . CA parsed_2oed 1
36 . . . . . . . . . . . . . . . . -1.725 -1.925 -1.525 . . GB3N 45 . C GB3N 45 . CA parsed_2oed 1
37 . . . . . . . . . . . . . . . . 0.681 0.481 0.881 . . GB3N 46 . C GB3N 46 . CA parsed_2oed 1
38 . . . . . . . . . . . . . . . . 2.284 2.084 2.484 . . GB3N 47 . C GB3N 47 . CA parsed_2oed 1
39 . . . . . . . . . . . . . . . . 1.188 0.988 1.388 . . GB3N 48 . C GB3N 48 . CA parsed_2oed 1
40 . . . . . . . . . . . . . . . . -0.895 -1.095 -0.695 . . GB3N 49 . C GB3N 49 . CA parsed_2oed 1
41 . . . . . . . . . . . . . . . . -3.442 -3.642 -3.242 . . GB3N 50 . C GB3N 50 . CA parsed_2oed 1
42 . . . . . . . . . . . . . . . . 3.662 3.462 3.862 . . GB3N 51 . C GB3N 51 . CA parsed_2oed 1
43 . . . . . . . . . . . . . . . . -3.241 -3.441 -3.041 . . GB3N 52 . C GB3N 52 . CA parsed_2oed 1
44 . . . . . . . . . . . . . . . . 1.615 1.415 1.815 . . GB3N 53 . C GB3N 53 . CA parsed_2oed 1
45 . . . . . . . . . . . . . . . . -2.523 -2.723 -2.323 . . GB3N 54 . C GB3N 54 . CA parsed_2oed 1
46 . . . . . . . . . . . . . . . . 0.824 0.624 1.024 . . GB3N 55 . C GB3N 55 . CA 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_D_CAC.dat 2 1 2 17 parsed_2oed 1
2
;
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 10 and name C )
( segi GB3N and resi 10 and name CA ) 0.821 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 11 and name C )
( segi GB3N and resi 11 and name CA ) 2.649 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 24 and name C )
( segi GB3N and resi 24 and name CA ) -1.004 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 25 and name C )
( segi GB3N and resi 25 and name CA ) -2.694 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 26 and name C )
( segi GB3N and resi 26 and name CA ) 2.057 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 39 and name C )
( segi GB3N and resi 39 and name CA ) 0.261 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 40 and name C )
( segi GB3N and resi 40 and name CA ) 0.165 0.2 0.2 1
assign ( resi 504 and name OO )
( resi 504 and name Z )
( resi 504 and name X )
( resi 504 and name Y )
( segi GB3N and resi 41 and name C )
( segi GB3N and resi 41 and name CA ) -3.256 0.2 0.2 1
;
325 1 325 1 parsed_2oed 1
stop_
save_
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