NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
604649 |
2n56   |
26593 | cing | 2-parsed | STAR | dipolar coupling | 48 |
data_2n56_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n56
_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_2n56 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n56
_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 2n56 "Master copy" parsed_2n56
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n56
_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 2n56.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n56 1
1 2n56.mr . . XPLOR/CNS 2 distance NOE simple 995 parsed_2n56 1
1 2n56.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 144 parsed_2n56 1
1 2n56.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 48 parsed_2n56 1
1 2n56.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n56 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n56
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . 1.14 . . . . . 1 . N . 1 . HN parsed_2n56 1
2 . . . . . . . . . . . . . . . . 0.54 . . . . . 4 . N . 4 . HN parsed_2n56 1
3 . . . . . . . . . . . . . . . . 9.63 . . . . . 6 . N . 6 . HN parsed_2n56 1
4 . . . . . . . . . . . . . . . . 5.38 . . . . . 7 . N . 7 . HN parsed_2n56 1
5 . . . . . . . . . . . . . . . . 8.41 . . . . . 8 . N . 8 . HN parsed_2n56 1
6 . . . . . . . . . . . . . . . . 4.66 . . . . . 11 . N . 11 . HN parsed_2n56 1
7 . . . . . . . . . . . . . . . . 23.9 . . . . . 12 . N . 12 . HN parsed_2n56 1
8 . . . . . . . . . . . . . . . . 10.4 . . . . . 13 . N . 13 . HN parsed_2n56 1
9 . . . . . . . . . . . . . . . . 10.82418 . . . . . 13 . N . 13 . HN parsed_2n56 1
10 . . . . . . . . . . . . . . . . 19.1 . . . . . 14 . N . 14 . HN parsed_2n56 1
11 . . . . . . . . . . . . . . . . -0.34 . . . . . 15 . N . 15 . HN parsed_2n56 1
12 . . . . . . . . . . . . . . . . 16.37 . . . . . 18 . N . 18 . HN parsed_2n56 1
13 . . . . . . . . . . . . . . . . -1.05 . . . . . 19 . N . 19 . HN parsed_2n56 1
14 . . . . . . . . . . . . . . . . 12.63 . . . . . 22 . N . 22 . HN parsed_2n56 1
15 . . . . . . . . . . . . . . . . 2.5 . . . . . 23 . N . 23 . HN parsed_2n56 1
16 . . . . . . . . . . . . . . . . 6.08 . . . . . 24 . N . 24 . HN parsed_2n56 1
17 . . . . . . . . . . . . . . . . -20.26 . . . . . 25 . N . 25 . HN parsed_2n56 1
18 . . . . . . . . . . . . . . . . 15.1 . . . . . 26 . N . 26 . HN parsed_2n56 1
19 . . . . . . . . . . . . . . . . 25.9 . . . . . 27 . N . 27 . HN parsed_2n56 1
20 . . . . . . . . . . . . . . . . -23.1 . . . . . 29 . N . 29 . HN parsed_2n56 1
21 . . . . . . . . . . . . . . . . 3.56 . . . . . 36 . N . 36 . HN parsed_2n56 1
22 . . . . . . . . . . . . . . . . 6.27 . . . . . 38 . N . 38 . HN parsed_2n56 1
23 . . . . . . . . . . . . . . . . 9.28 . . . . . 39 . N . 39 . HN parsed_2n56 1
24 . . . . . . . . . . . . . . . . 6.24 . . . . . 40 . N . 40 . HN parsed_2n56 1
25 . . . . . . . . . . . . . . . . -30.17 . . . . . 45 . N . 45 . HN parsed_2n56 1
26 . . . . . . . . . . . . . . . . 22.97 . . . . . 47 . N . 47 . HN parsed_2n56 1
27 . . . . . . . . . . . . . . . . -21.04 . . . . . 48 . N . 48 . HN parsed_2n56 1
28 . . . . . . . . . . . . . . . . 14.29 . . . . . 49 . N . 49 . HN parsed_2n56 1
29 . . . . . . . . . . . . . . . . 17.32 . . . . . 50 . N . 50 . HN parsed_2n56 1
30 . . . . . . . . . . . . . . . . 0 . . . . . 52 . N . 52 . HN parsed_2n56 1
31 . . . . . . . . . . . . . . . . 6.56 . . . . . 54 . N . 54 . HN parsed_2n56 1
32 . . . . . . . . . . . . . . . . 13.07 . . . . . 55 . N . 55 . HN parsed_2n56 1
33 . . . . . . . . . . . . . . . . -8.09 . . . . . 56 . N . 56 . HN parsed_2n56 1
34 . . . . . . . . . . . . . . . . 3.78 . . . . . 59 . N . 59 . HN parsed_2n56 1
35 . . . . . . . . . . . . . . . . -2.98 . . . . . 61 . N . 61 . HN parsed_2n56 1
36 . . . . . . . . . . . . . . . . 8.09 . . . . . 64 . N . 64 . HN parsed_2n56 1
37 . . . . . . . . . . . . . . . . -5.12 . . . . . 65 . N . 65 . HN parsed_2n56 1
38 . . . . . . . . . . . . . . . . 12.58 . . . . . 66 . N . 66 . HN parsed_2n56 1
39 . . . . . . . . . . . . . . . . -26.69 . . . . . 72 . N . 72 . HN parsed_2n56 1
40 . . . . . . . . . . . . . . . . 7.17 . . . . . 75 . N . 75 . HN parsed_2n56 1
41 . . . . . . . . . . . . . . . . 5.42 . . . . . 76 . N . 76 . HN parsed_2n56 1
42 . . . . . . . . . . . . . . . . 12.22 . . . . . 78 . N . 78 . HN parsed_2n56 1
43 . . . . . . . . . . . . . . . . 7.3 . . . . . 85 . N . 85 . HN parsed_2n56 1
44 . . . . . . . . . . . . . . . . 17.32 . . . . . 86 . N . 86 . HN parsed_2n56 1
45 . . . . . . . . . . . . . . . . 11.8 . . . . . 87 . N . 87 . HN parsed_2n56 1
46 . . . . . . . . . . . . . . . . 10.16 . . . . . 91 . N . 91 . HN parsed_2n56 1
47 . . . . . . . . . . . . . . . . 0.63 . . . . . 95 . N . 95 . HN parsed_2n56 1
48 . . . . . . . . . . . . . . . . -0.57 . . . . . 104 . N . 104 . HN parsed_2n56 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
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 9 and name N )
( resid 9 and name HN ) 1.43 0.2000
;
36 1 36 1 parsed_2n56 1
2
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 21 and name N )
( resid 21 and name HN ) 2.5 0.2000
;
100 1 100 1 parsed_2n56 1
3
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 28 and name N )
( resid 28 and name HN ) -13.13 0.2000
;
150 1 150 1 parsed_2n56 1
4
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 42 and name N )
( resid 42 and name HN ) -8.2 0.2000
;
192 1 192 1 parsed_2n56 1
5
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 58 and name N )
( resid 58 and name HN ) -.017 0.2000
;
262 1 267 51 parsed_2n56 1
6
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 63 and name N )
( resid 63 and name HN ) 3.37 0.2000
;
283 1 283 1 parsed_2n56 1
7
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 90 and name N )
( resid 90 and name HN ) 16.82 0.2000
;
360 1 360 1 parsed_2n56 1
stop_
save_
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