NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
605646 |
2n6t   |
25781 | cing | 2-parsed | STAR | dipolar coupling | 64 |
data_2n6t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n6t
_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_2n6t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n6t
_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 2n6t "Master copy" parsed_2n6t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n6t
_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 2n6t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n6t 1
1 2n6t.mr . . XPLOR/CNS 2 distance NOE simple 475 parsed_2n6t 1
1 2n6t.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n6t 1
1 2n6t.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 64 parsed_2n6t 1
1 2n6t.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_2n6t 1
1 2n6t.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 0 parsed_2n6t 1
1 2n6t.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n6t 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n6t
_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 . . . . . . . . . . . . . . . . 19.87 . . . . . 2 . N1 . 2 . H1 parsed_2n6t 1
2 . . . . . . . . . . . . . . . . 24.04 . . . . . 8 . N1 . 8 . H1 parsed_2n6t 1
3 . . . . . . . . . . . . . . . . 23.98 . . . . . 9 . N3 . 9 . H3 parsed_2n6t 1
4 . . . . . . . . . . . . . . . . 23.56 . . . . . 11 . N3 . 11 . H3 parsed_2n6t 1
5 . . . . . . . . . . . . . . . . 21.71 . . . . . 17 . N1 . 17 . H1 parsed_2n6t 1
6 . . . . . . . . . . . . . . . . 20.00 . . . . . 18 . N3 . 18 . H3 parsed_2n6t 1
7 . . . . . . . . . . . . . . . . 21.33 . . . . . 23 . N1 . 23 . H1 parsed_2n6t 1
8 . . . . . . . . . . . . . . . . 20.36 . . . . . 24 . N1 . 24 . H1 parsed_2n6t 1
9 . . . . . . . . . . . . . . . . 24.02 . . . . . 34 . N3 . 34 . H3 parsed_2n6t 1
10 . . . . . . . . . . . . . . . . -39.12 . . . . . 13 . C1' . 13 . H1' parsed_2n6t 1
11 . . . . . . . . . . . . . . . . 9.70 . . . . . 16 . C1' . 16 . H1' parsed_2n6t 1
12 . . . . . . . . . . . . . . . . -54.19 . . . . . 22 . C1' . 22 . H1' parsed_2n6t 1
13 . . . . . . . . . . . . . . . . -47.42 . . . . . 26 . C1' . 26 . H1' parsed_2n6t 1
14 . . . . . . . . . . . . . . . . -46.59 . . . . . 36 . C1' . 36 . H1' parsed_2n6t 1
15 . . . . . . . . . . . . . . . . -29.52 . . . . . 17 . C1' . 17 . H1' parsed_2n6t 1
16 . . . . . . . . . . . . . . . . -59.14 . . . . . 3 . C1' . 3 . H1' parsed_2n6t 1
17 . . . . . . . . . . . . . . . . 10.50 . . . . . 11 . C1' . 11 . H1' parsed_2n6t 1
18 . . . . . . . . . . . . . . . . -37.68 . . . . . 14 . C1' . 14 . H1' parsed_2n6t 1
19 . . . . . . . . . . . . . . . . -27.72 . . . . . 15 . C1' . 15 . H1' parsed_2n6t 1
20 . . . . . . . . . . . . . . . . -52.55 . . . . . 18 . C1' . 18 . H1' parsed_2n6t 1
21 . . . . . . . . . . . . . . . . 27.62 . . . . . 21 . C1' . 21 . H1' parsed_2n6t 1
22 . . . . . . . . . . . . . . . . -6.46 . . . . . 27 . C1' . 27 . H1' parsed_2n6t 1
23 . . . . . . . . . . . . . . . . -7.12 . . . . . 28 . C1' . 28 . H1' parsed_2n6t 1
24 . . . . . . . . . . . . . . . . -41.58 . . . . . 34 . C1' . 34 . H1' parsed_2n6t 1
25 . . . . . . . . . . . . . . . . 5.90 . . . . . 37 . C1' . 37 . H1' parsed_2n6t 1
26 . . . . . . . . . . . . . . . . -20.61 . . . . . 40 . C1' . 40 . H1' parsed_2n6t 1
27 . . . . . . . . . . . . . . . . 21.61 . . . . . 23 . C1' . 23 . H1' parsed_2n6t 1
28 . . . . . . . . . . . . . . . . -10.35 . . . . . 38 . C1' . 38 . H1' parsed_2n6t 1
29 . . . . . . . . . . . . . . . . 27.25 . . . . . 14 . C5 . 14 . H5 parsed_2n6t 1
30 . . . . . . . . . . . . . . . . 39.20 . . . . . 27 . C5 . 27 . H5 parsed_2n6t 1
31 . . . . . . . . . . . . . . . . 42.19 . . . . . 32 . C5 . 32 . H5 parsed_2n6t 1
32 . . . . . . . . . . . . . . . . 44.53 . . . . . 40 . C5 . 40 . H5 parsed_2n6t 1
33 . . . . . . . . . . . . . . . . -22.48 . . . . . 22 . C5 . 22 . H5 parsed_2n6t 1
34 . . . . . . . . . . . . . . . . 31.23 . . . . . 26 . C5 . 26 . H5 parsed_2n6t 1
35 . . . . . . . . . . . . . . . . 29.31 . . . . . 30 . C5 . 30 . H5 parsed_2n6t 1
36 . . . . . . . . . . . . . . . . 42.25 . . . . . 36 . C5 . 36 . H5 parsed_2n6t 1
37 . . . . . . . . . . . . . . . . 21.46 . . . . . 21 . C5 . 21 . H5 parsed_2n6t 1
38 . . . . . . . . . . . . . . . . 35.71 . . . . . 4 . C5 . 4 . H5 parsed_2n6t 1
39 . . . . . . . . . . . . . . . . 56.52 . . . . . 12 . C2 . 12 . H2 parsed_2n6t 1
40 . . . . . . . . . . . . . . . . 44.57 . . . . . 13 . C2 . 13 . H2 parsed_2n6t 1
41 . . . . . . . . . . . . . . . . 46.22 . . . . . 16 . C2 . 16 . H2 parsed_2n6t 1
42 . . . . . . . . . . . . . . . . 37.15 . . . . . 25 . C2 . 25 . H2 parsed_2n6t 1
43 . . . . . . . . . . . . . . . . 53.88 . . . . . 35 . C2 . 35 . H2 parsed_2n6t 1
44 . . . . . . . . . . . . . . . . 47.38 . . . . . 39 . C2 . 39 . H2 parsed_2n6t 1
45 . . . . . . . . . . . . . . . . 48.48 . . . . . 7 . C2 . 7 . H2 parsed_2n6t 1
46 . . . . . . . . . . . . . . . . 43.62 . . . . . 19 . C6 . 19 . H6 parsed_2n6t 1
47 . . . . . . . . . . . . . . . . 34.32 . . . . . 41 . C6 . 41 . H6 parsed_2n6t 1
48 . . . . . . . . . . . . . . . . 42.73 . . . . . 20 . C6 . 20 . H6 parsed_2n6t 1
49 . . . . . . . . . . . . . . . . 19.27 . . . . . 28 . C6 . 28 . H6 parsed_2n6t 1
50 . . . . . . . . . . . . . . . . 41.05 . . . . . 32 . C6 . 32 . H6 parsed_2n6t 1
51 . . . . . . . . . . . . . . . . 44.39 . . . . . 12 . C8 . 12 . H8 parsed_2n6t 1
52 . . . . . . . . . . . . . . . . 37.64 . . . . . 13 . C8 . 13 . H8 parsed_2n6t 1
53 . . . . . . . . . . . . . . . . 40.88 . . . . . 25 . C8 . 25 . H8 parsed_2n6t 1
54 . . . . . . . . . . . . . . . . 45.82 . . . . . 33 . C8 . 33 . H8 parsed_2n6t 1
55 . . . . . . . . . . . . . . . . 48.39 . . . . . 26 . C6 . 26 . H6 parsed_2n6t 1
56 . . . . . . . . . . . . . . . . 41.41 . . . . . 36 . C6 . 36 . H6 parsed_2n6t 1
57 . . . . . . . . . . . . . . . . 37.51 . . . . . 14 . C6 . 14 . H6 parsed_2n6t 1
58 . . . . . . . . . . . . . . . . 35.68 . . . . . 21 . C6 . 21 . H6 parsed_2n6t 1
59 . . . . . . . . . . . . . . . . 45.87 . . . . . 38 . C6 . 38 . H6 parsed_2n6t 1
60 . . . . . . . . . . . . . . . . 49.28 . . . . . 17 . C8 . 17 . H8 parsed_2n6t 1
61 . . . . . . . . . . . . . . . . 41.89 . . . . . 24 . C8 . 24 . H8 parsed_2n6t 1
62 . . . . . . . . . . . . . . . . 36.4 . . . . . 2 . C8 . 2 . H8 parsed_2n6t 1
63 . . . . . . . . . . . . . . . . 42.80 . . . . . 3 . C8 . 3 . H8 parsed_2n6t 1
64 . . . . . . . . . . . . . . . . 46.24 . . . . . 8 . C8 . 8 . H8 parsed_2n6t 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 "mod3 NH RDCs" 1 1 1 1 parsed_2n6t 1
2
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 15 and name N3 )
( resid 15 and name H3 ) 26.27 2.0
;
44 1 44 1 parsed_2n6t 1
3 "was 20 20150305 was 28 20150610 rm 20150610" 49 38 49 38 parsed_2n6t 1
4 "mod3 C1' RDCs" 70 36 70 36 parsed_2n6t 1
5 "mod3 C5 RDCs" 205 1 205 1 parsed_2n6t 1
6
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name C5 )
( resid 19 and name H5 ) 48.12 2.0
;
206 1 206 1 parsed_2n6t 1
7
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 29 and name C5 )
( resid 29 and name H5 ) 41.49 2.0
;
213 1 213 1 parsed_2n6t 1
8
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 41 and name C5 )
( resid 41 and name H5 ) 45.61 2.0
;
220 1 220 1 parsed_2n6t 1
9
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 15 and name C5 )
( resid 15 and name H5 ) 44.27 2.0
;
234 1 234 1 parsed_2n6t 1
10
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 20 and name C5 )
( resid 20 and name H5 ) 35.57 2.0
;
241 1 241 1 parsed_2n6t 1
11
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 28 and name C5 )
( resid 28 and name H5 ) 42.83 2.0
;
255 1 255 1 parsed_2n6t 1
12
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 31 and name C5 )
( resid 31 and name H5 ) 37.58 2.0
;
262 1 262 1 parsed_2n6t 1
13
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 37 and name C5 )
( resid 37 and name H5 ) 45.42 2.0
;
276 1 276 1 parsed_2n6t 1
14
;
assign ( resid 501 and name 00 )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 38 and name C5 )
( resid 38 and name H5 ) 40.28 2.0
;
283 1 283 1 parsed_2n6t 1
15 "mod3 2 RDCs" 337 39 337 39 parsed_2n6t 1
16
;
assign ( resid 500 and name 00 )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 5 and name C2 )
( resid 5 and name H2 ) 48.01 2.0
;
381 1 381 1 parsed_2n6t 1
17 "weak dynamic" 386 40 386 40 parsed_2n6t 1
18 "mod3 268 RDCs" 394 1 394 1 parsed_2n6t 1
19 "was 29.19 20150304" 512 37 512 37 parsed_2n6t 1
20
;
Planarity Restraints
excluding C15-A22
;
526 38 526 38 parsed_2n6t 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "restraints plane" 528 1 528 16 parsed_2n6t 1
stop_
save_
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