NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52944 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 44 |
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" 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_14
_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 14
_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 . . . . . . . . . . . . . . . . -0.282 -0.407 -0.157 . . GB3N 2 . C GB3N 3 . N parsed_2oed 1
2 . . . . . . . . . . . . . . . . 0.562 0.437 0.687 . . GB3N 3 . C GB3N 4 . N parsed_2oed 1
3 . . . . . . . . . . . . . . . . -1.986 -2.111 -1.861 . . GB3N 4 . C GB3N 5 . N parsed_2oed 1
4 . . . . . . . . . . . . . . . . 1.236 1.111 1.361 . . GB3N 5 . C GB3N 6 . N parsed_2oed 1
5 . . . . . . . . . . . . . . . . -1.790 -1.915 -1.665 . . GB3N 6 . C GB3N 7 . N parsed_2oed 1
6 . . . . . . . . . . . . . . . . 2.318 2.193 2.443 . . GB3N 7 . C GB3N 8 . N parsed_2oed 1
7 . . . . . . . . . . . . . . . . -0.594 -0.719 -0.469 . . GB3N 8 . C GB3N 9 . N parsed_2oed 1
8 . . . . . . . . . . . . . . . . 0.348 0.223 0.473 . . GB3N 9 . C GB3N 10 . N parsed_2oed 1
9 . . . . . . . . . . . . . . . . 1.370 1.245 1.495 . . GB3N 12 . C GB3N 13 . N parsed_2oed 1
10 . . . . . . . . . . . . . . . . -1.890 -2.015 -1.765 . . GB3N 13 . C GB3N 14 . N parsed_2oed 1
11 . . . . . . . . . . . . . . . . 1.538 1.413 1.663 . . GB3N 14 . C GB3N 15 . N parsed_2oed 1
12 . . . . . . . . . . . . . . . . -1.608 -1.733 -1.483 . . GB3N 15 . C GB3N 16 . N parsed_2oed 1
13 . . . . . . . . . . . . . . . . 0.674 0.549 0.799 . . GB3N 16 . C GB3N 17 . N parsed_2oed 1
14 . . . . . . . . . . . . . . . . -1.918 -2.043 -1.793 . . GB3N 17 . C GB3N 18 . N parsed_2oed 1
15 . . . . . . . . . . . . . . . . 0.080 -0.045 0.205 . . GB3N 18 . C GB3N 19 . N parsed_2oed 1
16 . . . . . . . . . . . . . . . . -0.828 -0.953 -0.703 . . GB3N 19 . C GB3N 20 . N parsed_2oed 1
17 . . . . . . . . . . . . . . . . -1.022 -1.147 -0.897 . . GB3N 20 . C GB3N 21 . N parsed_2oed 1
18 . . . . . . . . . . . . . . . . 1.058 0.933 1.183 . . GB3N 21 . C GB3N 22 . N parsed_2oed 1
19 . . . . . . . . . . . . . . . . 1.376 1.251 1.501 . . GB3N 22 . C GB3N 23 . N parsed_2oed 1
20 . . . . . . . . . . . . . . . . -0.516 -0.641 -0.391 . . GB3N 23 . C GB3N 24 . N parsed_2oed 1
21 . . . . . . . . . . . . . . . . -0.776 -0.901 -0.651 . . GB3N 27 . C GB3N 28 . N parsed_2oed 1
22 . . . . . . . . . . . . . . . . 2.158 2.033 2.283 . . GB3N 28 . C GB3N 29 . N parsed_2oed 1
23 . . . . . . . . . . . . . . . . 0.712 0.587 0.837 . . GB3N 30 . C GB3N 31 . N parsed_2oed 1
24 . . . . . . . . . . . . . . . . 1.134 1.009 1.259 . . GB3N 31 . C GB3N 32 . N parsed_2oed 1
25 . . . . . . . . . . . . . . . . 0.700 0.575 0.825 . . GB3N 32 . C GB3N 33 . N parsed_2oed 1
26 . . . . . . . . . . . . . . . . 1.086 0.961 1.211 . . GB3N 33 . C GB3N 34 . N parsed_2oed 1
27 . . . . . . . . . . . . . . . . -0.542 -0.667 -0.417 . . GB3N 34 . C GB3N 35 . N parsed_2oed 1
28 . . . . . . . . . . . . . . . . 2.254 2.129 2.379 . . GB3N 35 . C GB3N 36 . N parsed_2oed 1
29 . . . . . . . . . . . . . . . . -0.236 -0.361 -0.111 . . GB3N 36 . C GB3N 37 . N parsed_2oed 1
30 . . . . . . . . . . . . . . . . 1.744 1.619 1.869 . . GB3N 37 . C GB3N 38 . N parsed_2oed 1
31 . . . . . . . . . . . . . . . . -1.642 -1.767 -1.517 . . GB3N 38 . C GB3N 39 . N parsed_2oed 1
32 . . . . . . . . . . . . . . . . -1.854 -1.979 -1.729 . . GB3N 42 . C GB3N 43 . N parsed_2oed 1
33 . . . . . . . . . . . . . . . . 1.324 1.199 1.449 . . GB3N 43 . C GB3N 44 . N parsed_2oed 1
34 . . . . . . . . . . . . . . . . -1.994 -2.119 -1.869 . . GB3N 44 . C GB3N 45 . N parsed_2oed 1
35 . . . . . . . . . . . . . . . . 1.738 1.613 1.863 . . GB3N 45 . C GB3N 46 . N parsed_2oed 1
36 . . . . . . . . . . . . . . . . -1.564 -1.689 -1.439 . . GB3N 46 . C GB3N 47 . N parsed_2oed 1
37 . . . . . . . . . . . . . . . . -0.490 -0.615 -0.365 . . GB3N 47 . C GB3N 48 . N parsed_2oed 1
38 . . . . . . . . . . . . . . . . 0.036 -0.089 0.161 . . GB3N 49 . C GB3N 50 . N parsed_2oed 1
39 . . . . . . . . . . . . . . . . 0.922 0.797 1.047 . . GB3N 50 . C GB3N 51 . N parsed_2oed 1
40 . . . . . . . . . . . . . . . . -1.054 -1.179 -0.929 . . GB3N 51 . C GB3N 52 . N parsed_2oed 1
41 . . . . . . . . . . . . . . . . 1.932 1.807 2.057 . . GB3N 52 . C GB3N 53 . N parsed_2oed 1
42 . . . . . . . . . . . . . . . . -2.008 -2.133 -1.883 . . GB3N 53 . C GB3N 54 . N parsed_2oed 1
43 . . . . . . . . . . . . . . . . 2.410 2.285 2.535 . . GB3N 54 . C GB3N 55 . N parsed_2oed 1
44 . . . . . . . . . . . . . . . . -2.142 -2.267 -2.017 . . GB3N 55 . C GB3N 56 . 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_D_CN.dat 2 1 2 16 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 11 and name N ) 0.458 0.125 0.125 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 12 and name N ) -1.822 0.125 0.125 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 25 and name N ) 1.714 0.125 0.125 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 26 and name N ) -0.418 0.125 0.125 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 27 and name N ) 1.446 0.125 0.125 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 40 and name N ) 1.476 0.125 0.125 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 41 and name N ) -1.784 0.125 0.125 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 42 and name N ) -0.474 0.125 0.125 1
;
311 1 311 1 parsed_2oed 1
stop_
save_
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