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 |
|
|
52943 |
2oed   |
cing | 2-parsed | STAR | dipolar coupling | 43 |
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" 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_13
_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 13
_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 . . . . . . . . . . . . . . . . -13.014 -14.014 -12.014 . . GB3N 2 . CA GB3N 2 . HA parsed_2oed 1
2 . . . . . . . . . . . . . . . . -12.086 -13.086 -11.086 . . GB3N 3 . CA GB3N 3 . HA parsed_2oed 1
3 . . . . . . . . . . . . . . . . 11.765 10.765 12.765 . . GB3N 4 . CA GB3N 4 . HA parsed_2oed 1
4 . . . . . . . . . . . . . . . . 16.081 15.081 17.081 . . GB3N 5 . CA GB3N 5 . HA parsed_2oed 1
5 . . . . . . . . . . . . . . . . 21.995 20.995 22.995 . . GB3N 6 . CA GB3N 6 . HA parsed_2oed 1
6 . . . . . . . . . . . . . . . . 17.504 16.504 18.504 . . GB3N 7 . CA GB3N 7 . HA parsed_2oed 1
7 . . . . . . . . . . . . . . . . 11.796 10.796 12.796 . . GB3N 8 . CA GB3N 8 . HA parsed_2oed 1
8 . . . . . . . . . . . . . . . . 13.394 12.394 14.394 . . GB3N 12 . CA GB3N 12 . HA parsed_2oed 1
9 . . . . . . . . . . . . . . . . 4.464 3.464 5.464 . . GB3N 13 . CA GB3N 13 . HA parsed_2oed 1
10 . . . . . . . . . . . . . . . . 31.001 30.001 32.001 . . GB3N 15 . CA GB3N 15 . HA parsed_2oed 1
11 . . . . . . . . . . . . . . . . 35.424 34.424 36.424 . . GB3N 16 . CA GB3N 16 . HA parsed_2oed 1
12 . . . . . . . . . . . . . . . . 23.698 22.698 24.698 . . GB3N 17 . CA GB3N 17 . HA parsed_2oed 1
13 . . . . . . . . . . . . . . . . 18.721 17.721 19.721 . . GB3N 18 . CA GB3N 18 . HA parsed_2oed 1
14 . . . . . . . . . . . . . . . . -8.793 -9.793 -7.793 . . GB3N 19 . CA GB3N 19 . HA parsed_2oed 1
15 . . . . . . . . . . . . . . . . -0.009 -1.009 0.991 . . GB3N 20 . CA GB3N 20 . HA parsed_2oed 1
16 . . . . . . . . . . . . . . . . 23.351 22.351 24.351 . . GB3N 21 . CA GB3N 21 . HA parsed_2oed 1
17 . . . . . . . . . . . . . . . . -9.447 -10.447 -8.447 . . GB3N 22 . CA GB3N 22 . HA parsed_2oed 1
18 . . . . . . . . . . . . . . . . 0.387 -0.613 1.387 . . GB3N 23 . CA GB3N 23 . HA parsed_2oed 1
19 . . . . . . . . . . . . . . . . -21.934 -22.934 -20.934 . . GB3N 27 . CA GB3N 27 . HA parsed_2oed 1
20 . . . . . . . . . . . . . . . . 30.026 29.026 31.026 . . GB3N 28 . CA GB3N 28 . HA parsed_2oed 1
21 . . . . . . . . . . . . . . . . -12.347 -13.347 -11.347 . . GB3N 29 . CA GB3N 29 . HA parsed_2oed 1
22 . . . . . . . . . . . . . . . . 6.836 5.836 7.836 . . GB3N 30 . CA GB3N 30 . HA parsed_2oed 1
23 . . . . . . . . . . . . . . . . -9.116 -10.116 -8.116 . . GB3N 31 . CA GB3N 31 . HA parsed_2oed 1
24 . . . . . . . . . . . . . . . . 18.209 17.209 19.209 . . GB3N 32 . CA GB3N 32 . HA parsed_2oed 1
25 . . . . . . . . . . . . . . . . 1.079 0.079 2.079 . . GB3N 33 . CA GB3N 33 . HA parsed_2oed 1
26 . . . . . . . . . . . . . . . . -9.747 -10.747 -8.747 . . GB3N 34 . CA GB3N 34 . HA parsed_2oed 1
27 . . . . . . . . . . . . . . . . 19.389 18.389 20.389 . . GB3N 35 . CA GB3N 35 . HA parsed_2oed 1
28 . . . . . . . . . . . . . . . . -5.320 -6.320 -4.320 . . GB3N 36 . CA GB3N 36 . HA parsed_2oed 1
29 . . . . . . . . . . . . . . . . -11.430 -12.430 -10.430 . . GB3N 37 . CA GB3N 37 . HA parsed_2oed 1
30 . . . . . . . . . . . . . . . . -0.258 -1.258 0.742 . . GB3N 42 . CA GB3N 42 . HA parsed_2oed 1
31 . . . . . . . . . . . . . . . . 14.742 13.742 15.742 . . GB3N 43 . CA GB3N 43 . HA parsed_2oed 1
32 . . . . . . . . . . . . . . . . 8.327 7.327 9.327 . . GB3N 44 . CA GB3N 44 . HA parsed_2oed 1
33 . . . . . . . . . . . . . . . . 12.458 11.458 13.458 . . GB3N 45 . CA GB3N 45 . HA parsed_2oed 1
34 . . . . . . . . . . . . . . . . 22.070 21.070 23.070 . . GB3N 46 . CA GB3N 46 . HA parsed_2oed 1
35 . . . . . . . . . . . . . . . . -0.320 -1.320 0.680 . . GB3N 47 . CA GB3N 47 . HA parsed_2oed 1
36 . . . . . . . . . . . . . . . . -25.743 -26.743 -24.743 . . GB3N 48 . CA GB3N 48 . HA parsed_2oed 1
37 . . . . . . . . . . . . . . . . 26.771 25.771 27.771 . . GB3N 49 . CA GB3N 49 . HA parsed_2oed 1
38 . . . . . . . . . . . . . . . . 16.038 15.038 17.038 . . GB3N 50 . CA GB3N 50 . HA parsed_2oed 1
39 . . . . . . . . . . . . . . . . 13.743 12.743 14.743 . . GB3N 51 . CA GB3N 51 . HA parsed_2oed 1
40 . . . . . . . . . . . . . . . . 16.933 15.933 17.933 . . GB3N 52 . CA GB3N 52 . HA parsed_2oed 1
41 . . . . . . . . . . . . . . . . 22.748 21.748 23.748 . . GB3N 53 . CA GB3N 53 . HA parsed_2oed 1
42 . . . . . . . . . . . . . . . . 16.989 15.989 17.989 . . GB3N 54 . CA GB3N 54 . HA parsed_2oed 1
43 . . . . . . . . . . . . . . . . 16.716 15.716 17.716 . . GB3N 55 . CA GB3N 55 . HA 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_CAHA.dat 2 1 2 18 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 9 and name CA )
( segi GB3N and resi 9 and name HA# ) 28.990 1.0 1.0
;
52 1 57 65 parsed_2oed 1
3
;
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 14 and name CA )
( segi GB3N and resi 14 and name HA# ) 9.803 1.0 1.0
;
73 1 78 65 parsed_2oed 1
4
;
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 38 and name CA )
( segi GB3N and resi 38 and name HA# ) -25.541 1.0 1.0
;
220 1 225 65 parsed_2oed 1
5
;
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 1 and name CA )
( segi GB3N and resi 1 and name HA ) 21.041 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 10 and name CA )
( segi GB3N and resi 10 and name HA ) -4.172 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 CA )
( segi GB3N and resi 11 and name HA ) -17.839 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 CA )
( segi GB3N and resi 24 and name HA ) 9.113 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 25 and name CA )
( segi GB3N and resi 25 and name HA ) 3.429 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 CA )
( segi GB3N and resi 26 and name HA ) 15.209 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 CA )
( segi GB3N and resi 39 and name HA ) -12.620 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 CA )
( segi GB3N and resi 40 and name HA ) -18.765 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 CA )
! ( segi GB3N and resi 41 and name HA# ) 30.559 1.0 1.0
;
325 1 325 1 parsed_2oed 1
stop_
save_
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