NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
52945 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 41 |
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" 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_15
_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 15
_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 . . . . . . . . . . . . . . . . -2.449 -3.449 -1.449 . . GB3N 3 . HN GB3N 3 . N parsed_2oed 1
2 . . . . . . . . . . . . . . . . 1.166 0.166 2.166 . . GB3N 4 . HN GB3N 4 . N parsed_2oed 1
3 . . . . . . . . . . . . . . . . 14.249 13.249 15.249 . . GB3N 5 . HN GB3N 5 . N parsed_2oed 1
4 . . . . . . . . . . . . . . . . 3.957 2.957 4.957 . . GB3N 6 . HN GB3N 6 . N parsed_2oed 1
5 . . . . . . . . . . . . . . . . 16.308 15.308 17.308 . . GB3N 7 . HN GB3N 7 . N parsed_2oed 1
6 . . . . . . . . . . . . . . . . -1.247 -2.247 -0.247 . . GB3N 8 . HN GB3N 8 . N parsed_2oed 1
7 . . . . . . . . . . . . . . . . 22.454 21.454 23.454 . . GB3N 9 . HN GB3N 9 . N parsed_2oed 1
8 . . . . . . . . . . . . . . . . 10.887 9.887 11.887 . . GB3N 12 . HN GB3N 12 . N parsed_2oed 1
9 . . . . . . . . . . . . . . . . 0.741 -0.259 1.741 . . GB3N 13 . HN GB3N 13 . N parsed_2oed 1
10 . . . . . . . . . . . . . . . . 7.872 6.872 8.872 . . GB3N 14 . HN GB3N 14 . N parsed_2oed 1
11 . . . . . . . . . . . . . . . . 5.804 4.804 6.804 . . GB3N 16 . HN GB3N 16 . N parsed_2oed 1
12 . . . . . . . . . . . . . . . . 0.284 -0.716 1.284 . . GB3N 17 . HN GB3N 17 . N parsed_2oed 1
13 . . . . . . . . . . . . . . . . -6.629 -7.629 -5.629 . . GB3N 18 . HN GB3N 18 . N parsed_2oed 1
14 . . . . . . . . . . . . . . . . -4.832 -5.832 -3.832 . . GB3N 19 . HN GB3N 19 . N parsed_2oed 1
15 . . . . . . . . . . . . . . . . -4.900 -5.900 -3.900 . . GB3N 20 . HN GB3N 20 . N parsed_2oed 1
16 . . . . . . . . . . . . . . . . -4.989 -5.989 -3.989 . . GB3N 21 . HN GB3N 21 . N parsed_2oed 1
17 . . . . . . . . . . . . . . . . -14.821 -15.821 -13.821 . . GB3N 22 . HN GB3N 22 . N parsed_2oed 1
18 . . . . . . . . . . . . . . . . -15.514 -16.514 -14.514 . . GB3N 23 . HN GB3N 23 . N parsed_2oed 1
19 . . . . . . . . . . . . . . . . -16.343 -17.343 -15.343 . . GB3N 28 . HN GB3N 28 . N parsed_2oed 1
20 . . . . . . . . . . . . . . . . -14.487 -15.487 -13.487 . . GB3N 29 . HN GB3N 29 . N parsed_2oed 1
21 . . . . . . . . . . . . . . . . -17.627 -18.627 -16.627 . . GB3N 30 . HN GB3N 30 . N parsed_2oed 1
22 . . . . . . . . . . . . . . . . -18.509 -19.509 -17.509 . . GB3N 31 . HN GB3N 31 . N parsed_2oed 1
23 . . . . . . . . . . . . . . . . -13.004 -14.004 -12.004 . . GB3N 32 . HN GB3N 32 . N parsed_2oed 1
24 . . . . . . . . . . . . . . . . -16.955 -17.955 -15.955 . . GB3N 33 . HN GB3N 33 . N parsed_2oed 1
25 . . . . . . . . . . . . . . . . -17.732 -18.732 -16.732 . . GB3N 34 . HN GB3N 34 . N parsed_2oed 1
26 . . . . . . . . . . . . . . . . -15.581 -16.581 -14.581 . . GB3N 36 . HN GB3N 36 . N parsed_2oed 1
27 . . . . . . . . . . . . . . . . -13.956 -14.956 -12.956 . . GB3N 37 . HN GB3N 37 . N parsed_2oed 1
28 . . . . . . . . . . . . . . . . -10.461 -11.461 -9.461 . . GB3N 38 . HN GB3N 38 . N parsed_2oed 1
29 . . . . . . . . . . . . . . . . -8.638 -9.638 -7.638 . . GB3N 42 . HN GB3N 42 . N parsed_2oed 1
30 . . . . . . . . . . . . . . . . 9.458 8.458 10.458 . . GB3N 43 . HN GB3N 43 . N parsed_2oed 1
31 . . . . . . . . . . . . . . . . 7.018 6.018 8.018 . . GB3N 44 . HN GB3N 44 . N parsed_2oed 1
32 . . . . . . . . . . . . . . . . 4.863 3.863 5.863 . . GB3N 46 . HN GB3N 46 . N parsed_2oed 1
33 . . . . . . . . . . . . . . . . 19.872 18.872 20.872 . . GB3N 47 . HN GB3N 47 . N parsed_2oed 1
34 . . . . . . . . . . . . . . . . 14.253 13.253 15.253 . . GB3N 48 . HN GB3N 48 . N parsed_2oed 1
35 . . . . . . . . . . . . . . . . 18.689 17.689 19.689 . . GB3N 49 . HN GB3N 49 . N parsed_2oed 1
36 . . . . . . . . . . . . . . . . 2.469 1.469 3.469 . . GB3N 50 . HN GB3N 50 . N parsed_2oed 1
37 . . . . . . . . . . . . . . . . 1.331 0.331 2.331 . . GB3N 51 . HN GB3N 51 . N parsed_2oed 1
38 . . . . . . . . . . . . . . . . 14.862 13.862 15.862 . . GB3N 52 . HN GB3N 52 . N parsed_2oed 1
39 . . . . . . . . . . . . . . . . 6.394 5.394 7.394 . . GB3N 53 . HN GB3N 53 . N parsed_2oed 1
40 . . . . . . . . . . . . . . . . 11.351 10.351 12.351 . . GB3N 54 . HN GB3N 54 . N parsed_2oed 1
41 . . . . . . . . . . . . . . . . 0.023 -0.977 1.023 . . 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_D_NHN.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 HN )
( segi GB3N and resi 10 and name N ) -0.844 1.0 1.0 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 HN )
( segi GB3N and resi 11 and name N ) -8.303 1.0 1.0 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 HN )
( segi GB3N and resi 24 and name N ) -17.036 1.0 1.0 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 HN )
( segi GB3N and resi 26 and name N ) -15.210 1.0 1.0 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 HN )
( segi GB3N and resi 39 and name N ) 1.750 1.0 1.0 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 HN )
( segi GB3N and resi 40 and name N ) -11.245 1.0 1.0 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 HN )
( segi GB3N and resi 41 and name N ) -4.503 1.0 1.0 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 56 and name HN )
( segi GB3N and resi 56 and name N ) 13.341 1.0 1.0 1
;
291 1 291 1 parsed_2oed 1
stop_
save_
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