NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52939 |
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" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 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_9
_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 9
_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 . . . . . . . . . . . . . . . . 4.257 4.057 4.457 . . GB3N 2 . C GB3N 2 . CA parsed_2oed 1
2 . . . . . . . . . . . . . . . . -1.986 -2.186 -1.786 . . GB3N 3 . C GB3N 3 . CA parsed_2oed 1
3 . . . . . . . . . . . . . . . . 5.443 5.243 5.643 . . GB3N 4 . C GB3N 4 . CA parsed_2oed 1
4 . . . . . . . . . . . . . . . . -1.664 -1.864 -1.464 . . GB3N 5 . C GB3N 5 . CA parsed_2oed 1
5 . . . . . . . . . . . . . . . . 3.479 3.279 3.679 . . GB3N 6 . C GB3N 6 . CA parsed_2oed 1
6 . . . . . . . . . . . . . . . . 0.067 -0.133 0.267 . . GB3N 7 . C GB3N 7 . CA parsed_2oed 1
7 . . . . . . . . . . . . . . . . 2.472 2.272 2.672 . . GB3N 8 . C GB3N 8 . CA parsed_2oed 1
8 . . . . . . . . . . . . . . . . 0.227 0.027 0.427 . . GB3N 9 . C GB3N 9 . CA parsed_2oed 1
9 . . . . . . . . . . . . . . . . -2.137 -2.337 -1.937 . . GB3N 12 . C GB3N 12 . CA parsed_2oed 1
10 . . . . . . . . . . . . . . . . 5.354 5.154 5.554 . . GB3N 13 . C GB3N 13 . CA parsed_2oed 1
11 . . . . . . . . . . . . . . . . -1.435 -1.635 -1.235 . . GB3N 14 . C GB3N 14 . CA parsed_2oed 1
12 . . . . . . . . . . . . . . . . 0.814 0.614 1.014 . . GB3N 15 . C GB3N 15 . CA parsed_2oed 1
13 . . . . . . . . . . . . . . . . -1.437 -1.637 -1.237 . . GB3N 16 . C GB3N 16 . CA parsed_2oed 1
14 . . . . . . . . . . . . . . . . -2.215 -2.415 -2.015 . . GB3N 17 . C GB3N 17 . CA parsed_2oed 1
15 . . . . . . . . . . . . . . . . -0.076 -0.276 0.124 . . GB3N 18 . C GB3N 18 . CA parsed_2oed 1
16 . . . . . . . . . . . . . . . . -1.695 -1.895 -1.495 . . GB3N 19 . C GB3N 19 . CA parsed_2oed 1
17 . . . . . . . . . . . . . . . . -1.508 -1.708 -1.308 . . GB3N 20 . C GB3N 20 . CA parsed_2oed 1
18 . . . . . . . . . . . . . . . . 0.389 0.189 0.589 . . GB3N 21 . C GB3N 21 . CA parsed_2oed 1
19 . . . . . . . . . . . . . . . . 2.703 2.503 2.903 . . GB3N 22 . C GB3N 22 . CA parsed_2oed 1
20 . . . . . . . . . . . . . . . . 0.426 0.226 0.626 . . GB3N 23 . C GB3N 23 . CA parsed_2oed 1
21 . . . . . . . . . . . . . . . . -2.558 -2.758 -2.358 . . GB3N 27 . C GB3N 27 . CA parsed_2oed 1
22 . . . . . . . . . . . . . . . . -2.154 -2.354 -1.954 . . GB3N 28 . C GB3N 28 . CA parsed_2oed 1
23 . . . . . . . . . . . . . . . . 0.348 0.148 0.548 . . GB3N 29 . C GB3N 29 . CA parsed_2oed 1
24 . . . . . . . . . . . . . . . . 4.765 4.565 4.965 . . GB3N 30 . C GB3N 30 . CA parsed_2oed 1
25 . . . . . . . . . . . . . . . . -3.308 -3.508 -3.108 . . GB3N 31 . C GB3N 31 . CA parsed_2oed 1
26 . . . . . . . . . . . . . . . . -2.472 -2.672 -2.272 . . GB3N 32 . C GB3N 32 . CA parsed_2oed 1
27 . . . . . . . . . . . . . . . . 3.782 3.582 3.982 . . GB3N 33 . C GB3N 33 . CA parsed_2oed 1
28 . . . . . . . . . . . . . . . . 0.238 0.038 0.438 . . GB3N 34 . C GB3N 34 . CA parsed_2oed 1
29 . . . . . . . . . . . . . . . . -2.560 -2.760 -2.360 . . GB3N 35 . C GB3N 35 . CA parsed_2oed 1
30 . . . . . . . . . . . . . . . . -1.487 -1.687 -1.287 . . GB3N 36 . C GB3N 36 . CA parsed_2oed 1
31 . . . . . . . . . . . . . . . . 4.592 4.392 4.792 . . GB3N 37 . C GB3N 37 . CA parsed_2oed 1
32 . . . . . . . . . . . . . . . . -1.976 -2.176 -1.776 . . GB3N 38 . C GB3N 38 . CA parsed_2oed 1
33 . . . . . . . . . . . . . . . . 5.090 4.890 5.290 . . GB3N 42 . C GB3N 42 . CA parsed_2oed 1
34 . . . . . . . . . . . . . . . . -2.883 -3.083 -2.683 . . GB3N 43 . C GB3N 43 . CA parsed_2oed 1
35 . . . . . . . . . . . . . . . . 5.853 5.653 6.053 . . GB3N 44 . C GB3N 44 . CA parsed_2oed 1
36 . . . . . . . . . . . . . . . . -2.561 -2.761 -2.361 . . GB3N 45 . C GB3N 45 . CA parsed_2oed 1
37 . . . . . . . . . . . . . . . . 4.740 4.540 4.940 . . GB3N 46 . C GB3N 46 . CA parsed_2oed 1
38 . . . . . . . . . . . . . . . . 1.580 1.380 1.780 . . GB3N 47 . C GB3N 47 . CA parsed_2oed 1
39 . . . . . . . . . . . . . . . . -1.084 -1.284 -0.884 . . GB3N 48 . C GB3N 48 . CA parsed_2oed 1
40 . . . . . . . . . . . . . . . . -2.953 -3.153 -2.753 . . GB3N 49 . C GB3N 49 . CA parsed_2oed 1
41 . . . . . . . . . . . . . . . . -1.010 -1.210 -0.810 . . GB3N 50 . C GB3N 50 . CA parsed_2oed 1
42 . . . . . . . . . . . . . . . . 4.045 3.845 4.245 . . GB3N 51 . C GB3N 51 . CA parsed_2oed 1
43 . . . . . . . . . . . . . . . . -0.720 -0.920 -0.520 . . GB3N 52 . C GB3N 52 . CA parsed_2oed 1
44 . . . . . . . . . . . . . . . . 2.402 2.202 2.602 . . GB3N 53 . C GB3N 53 . CA parsed_2oed 1
45 . . . . . . . . . . . . . . . . -0.041 -0.241 0.159 . . GB3N 54 . C GB3N 54 . CA parsed_2oed 1
46 . . . . . . . . . . . . . . . . 3.011 2.811 3.211 . . 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
;
medium C
rcds_C_CAC.dat
;
2 1 4 17 parsed_2oed 1
2
;
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 10 and name C )
( segi GB3N and resi 10 and name CA ) -1.624 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 11 and name C )
( segi GB3N and resi 11 and name CA ) 5.840 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 24 and name C )
( segi GB3N and resi 24 and name CA ) -3.326 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 25 and name C )
( segi GB3N and resi 25 and name CA ) -2.260 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 26 and name C )
( segi GB3N and resi 26 and name CA ) 5.963 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 39 and name C )
( segi GB3N and resi 39 and name CA ) -1.464 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 40 and name C )
( segi GB3N and resi 40 and name CA ) -1.453 0.2 0.2
assign ( resi 503 and name OO )
( resi 503 and name Z )
( resi 503 and name X )
( resi 503 and name Y )
( segi GB3N and resi 41 and name C )
( segi GB3N and resi 41 and name CA ) -2.599 0.2 0.2
;
327 1 327 1 parsed_2oed 1
stop_
save_
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