NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
52449 |
2kid   |
16270 | cing | 2-parsed | STAR | dipolar coupling | 66 |
data_2kid_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kid
_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_2kid 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kid
_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 2kid "Master copy" parsed_2kid
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kid
_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 2kid.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 2 distance NOE simple 42 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 3 distance "general distance" simple 3 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 96 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 260 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 7 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 66 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kid 1
1 2kid.mr . . XPLOR/CNS 10 distance NOE ambi 0 parsed_2kid 1
1 2kid.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kid 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kid
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . -8.06 . . . . . 17 . HN . 17 . N parsed_2kid 1
2 . . . . . . . . . . . . . . . . 5.86 . . . . . 19 . HN . 19 . N parsed_2kid 1
3 . . . . . . . . . . . . . . . . 6.86 . . . . . 27 . HN . 27 . N parsed_2kid 1
4 . . . . . . . . . . . . . . . . 13.1 . . . . . 38 . HN . 38 . N parsed_2kid 1
5 . . . . . . . . . . . . . . . . 0.299 . . . . . 49 . HN . 49 . N parsed_2kid 1
6 . . . . . . . . . . . . . . . . 0.17 . . . . . 52 . HN . 52 . N parsed_2kid 1
7 . . . . . . . . . . . . . . . . -0.39 . . . . . 56 . HN . 56 . N parsed_2kid 1
8 . . . . . . . . . . . . . . . . 20 . . . . . 58 . HN . 58 . N parsed_2kid 1
9 . . . . . . . . . . . . . . . . 6.18 . . . . . 75 . HN . 75 . N parsed_2kid 1
10 . . . . . . . . . . . . . . . . 0.04 . . . . . 79 . HN . 79 . N parsed_2kid 1
11 . . . . . . . . . . . . . . . . -4.86 . . . . . 86 . HN . 86 . N parsed_2kid 1
12 . . . . . . . . . . . . . . . . -13.35 . . . . . 92 . HN . 92 . N parsed_2kid 1
13 . . . . . . . . . . . . . . . . 3.59 . . . . . 98 . HN . 98 . N parsed_2kid 1
14 . . . . . . . . . . . . . . . . -8.25 . . . . . 100 . HN . 100 . N parsed_2kid 1
15 . . . . . . . . . . . . . . . . -13 . . . . . 101 . HN . 101 . N parsed_2kid 1
16 . . . . . . . . . . . . . . . . 7.77 . . . . . 103 . HN . 103 . N parsed_2kid 1
17 . . . . . . . . . . . . . . . . -12.21 . . . . . 109 . HN . 109 . N parsed_2kid 1
18 . . . . . . . . . . . . . . . . -1.13 . . . . . 111 . HN . 111 . N parsed_2kid 1
19 . . . . . . . . . . . . . . . . 16.95 . . . . . 114 . HN . 114 . N parsed_2kid 1
20 . . . . . . . . . . . . . . . . 1.59 . . . . . 117 . HN . 117 . N parsed_2kid 1
21 . . . . . . . . . . . . . . . . -5.16 . . . . . 123 . HN . 123 . N parsed_2kid 1
22 . . . . . . . . . . . . . . . . 7.08 . . . . . 133 . HN . 133 . N parsed_2kid 1
23 . . . . . . . . . . . . . . . . 3.44 . . . . . 134 . HN . 134 . N parsed_2kid 1
24 . . . . . . . . . . . . . . . . -7.28 . . . . . 136 . HN . 136 . N parsed_2kid 1
25 . . . . . . . . . . . . . . . . -1.30 . . . . . 140 . HN . 140 . N parsed_2kid 1
26 . . . . . . . . . . . . . . . . -0.05 . . . . . 142 . HN . 142 . N parsed_2kid 1
27 . . . . . . . . . . . . . . . . -12.71 . . . . . 143 . HN . 143 . N parsed_2kid 1
28 . . . . . . . . . . . . . . . . 6.77 . . . . . 144 . HN . 144 . N parsed_2kid 1
29 . . . . . . . . . . . . . . . . 8.67 . . . . . 145 . HN . 145 . N parsed_2kid 1
30 . . . . . . . . . . . . . . . . 8.29 . . . . . 4 . HN . 4 . N parsed_2kid 1
31 . . . . . . . . . . . . . . . . 10.38 . . . . . 6 . HN . 6 . N parsed_2kid 1
32 . . . . . . . . . . . . . . . . 13.23 . . . . . 11 . HN . 11 . N parsed_2kid 1
33 . . . . . . . . . . . . . . . . -10.89 . . . . . 12 . HN . 12 . N parsed_2kid 1
34 . . . . . . . . . . . . . . . . -13.85 . . . . . 16 . HN . 16 . N parsed_2kid 1
35 . . . . . . . . . . . . . . . . -8.43 . . . . . 17 . HN . 17 . N parsed_2kid 1
36 . . . . . . . . . . . . . . . . 1.07 . . . . . 18 . HN . 18 . N parsed_2kid 1
37 . . . . . . . . . . . . . . . . 4.42 . . . . . 19 . HN . 19 . N parsed_2kid 1
38 . . . . . . . . . . . . . . . . 15.32 . . . . . 22 . HN . 22 . N parsed_2kid 1
39 . . . . . . . . . . . . . . . . -21.39 . . . . . 23 . HN . 23 . N parsed_2kid 1
40 . . . . . . . . . . . . . . . . 2.84 . . . . . 25 . HN . 25 . N parsed_2kid 1
41 . . . . . . . . . . . . . . . . -9.03 . . . . . 26 . HN . 26 . N parsed_2kid 1
42 . . . . . . . . . . . . . . . . 7.89 . . . . . 27 . HN . 27 . N parsed_2kid 1
43 . . . . . . . . . . . . . . . . -8.27 . . . . . 32 . HN . 32 . N parsed_2kid 1
44 . . . . . . . . . . . . . . . . 11.91 . . . . . 38 . HN . 38 . N parsed_2kid 1
45 . . . . . . . . . . . . . . . . 22.55 . . . . . 40 . HN . 40 . N parsed_2kid 1
46 . . . . . . . . . . . . . . . . -0.8 . . . . . 50 . HN . 50 . N parsed_2kid 1
47 . . . . . . . . . . . . . . . . -16.66 . . . . . 51 . HN . 51 . N parsed_2kid 1
48 . . . . . . . . . . . . . . . . 13 . . . . . 57 . HN . 57 . N parsed_2kid 1
49 . . . . . . . . . . . . . . . . -17.88 . . . . . 61 . HN . 61 . N parsed_2kid 1
50 . . . . . . . . . . . . . . . . -0.98 . . . . . 64 . HN . 64 . N parsed_2kid 1
51 . . . . . . . . . . . . . . . . 15.01 . . . . . 66 . HN . 66 . N parsed_2kid 1
52 . . . . . . . . . . . . . . . . 6 . . . . . 75 . HN . 75 . N parsed_2kid 1
53 . . . . . . . . . . . . . . . . -0.18 . . . . . 85 . HN . 85 . N parsed_2kid 1
54 . . . . . . . . . . . . . . . . -4.39 . . . . . 86 . HN . 86 . N parsed_2kid 1
55 . . . . . . . . . . . . . . . . -11.09 . . . . . 87 . HN . 87 . N parsed_2kid 1
56 . . . . . . . . . . . . . . . . -5.32 . . . . . 89 . HN . 89 . N parsed_2kid 1
57 . . . . . . . . . . . . . . . . 4.97 . . . . . 91 . HN . 91 . N parsed_2kid 1
58 . . . . . . . . . . . . . . . . -13.35 . . . . . 92 . HN . 92 . N parsed_2kid 1
59 . . . . . . . . . . . . . . . . -11.23 . . . . . 99 . HN . 99 . N parsed_2kid 1
60 . . . . . . . . . . . . . . . . -8.91 . . . . . 100 . HN . 100 . N parsed_2kid 1
61 . . . . . . . . . . . . . . . . -12.94 . . . . . 101 . HN . 101 . N parsed_2kid 1
62 . . . . . . . . . . . . . . . . 0.63 . . . . . 108 . HN . 108 . N parsed_2kid 1
63 . . . . . . . . . . . . . . . . 3.48 . . . . . 117 . HN . 117 . N parsed_2kid 1
64 . . . . . . . . . . . . . . . . 6.64 . . . . . 144 . HN . 144 . N parsed_2kid 1
65 . . . . . . . . . . . . . . . . 5.01 . . . . . 147 . HN . 147 . N parsed_2kid 1
66 . . . . . . . . . . . . . . . . -9.23 . . . . . 148 . HN . 148 . N parsed_2kid 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 "!!!!!!THESE ARE FROM ERIC!!!!!" 1 1 1 32 parsed_2kid 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 18 and name HN )
( resid 18 and name N ) -20.93 0.20
;
8 1 13 46 parsed_2kid 1
3
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 41 and name HN )
! ( resid 41 and name N ) -0.363 0.20
;
32 1 37 47 parsed_2kid 1
4
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 77 and name HN )
! ( resid 77 and name N ) 0.027 0.20
;
68 1 73 46 parsed_2kid 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 97 and name HN )
( resid 97 and name N ) 30.16 0.20
;
92 1 97 45 parsed_2kid 1
6
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 99 and name HN )
! ( resid 99 and name N ) -12.44 0.20
;
104 1 109 47 parsed_2kid 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 102 and name HN )
( resid 102 and name N ) -28.57 0.20
;
122 1 127 46 parsed_2kid 1
8
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 110 and name HN )
! ( resid 110 and name N ) -20.32 0.20
;
140 1 145 47 parsed_2kid 1
9
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 115 and name HN )
! ( resid 115 and name N ) -5.12 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 116 and name HN )
( resid 116 and name N ) -24.17 0.20
;
158 1 169 46 parsed_2kid 1
10
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 120 and name HN )
! ( resid 120 and name N ) 19.69 0.20
;
176 1 181 46 parsed_2kid 1
11
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 130 and name HN )
! ( resid 130 and name N ) 1.06 0.20
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 131 and name HN )
! ( resid 131 and name N ) 4.82 0.20
;
188 1 199 45 parsed_2kid 1
12 "!!!!!THESE ARE FROM TOM!!!!!!!!" 250 1 250 33 parsed_2kid 1
13
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 13 and name HN )
( resid 13 and name N ) 29.91 0.20
;
275 1 280 45 parsed_2kid 1
14
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 34 and name HN )
! ( resid 34 and name N ) 10.61 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 35 and name HN )
( resid 35 and name N ) -31.86 0.20
;
341 1 352 46 parsed_2kid 1
15
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 39 and name HN )
! ( resid 39 and name N ) 17.7 0.20
;
359 1 364 45 parsed_2kid 1
16
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 41 and name HN )
( resid 41 and name N ) 27.96 0.20
;
371 1 376 45 parsed_2kid 1
17
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 54 and name HN )
! ( resid 54 and name N ) 12.61 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 55 and name HN )
( resid 55 and name N ) 26 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 56 and name HN )
( resid 56 and name N ) 20.57 0.20
;
389 1 406 45 parsed_2kid 1
18
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 74 and name HN )
( resid 74 and name N ) -22.78 0.20
;
431 1 436 46 parsed_2kid 1
19
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 77 and name HN )
! ( resid 77 and name N ) -6.67 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 79 and name HN )
( resid 79 and name N ) -19.42 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 80 and name HN )
( resid 80 and name N ) -30.38 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 81 and name HN )
( resid 81 and name N ) 23.16 0.20
;
443 1 466 45 parsed_2kid 1
20
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 97 and name HN )
( resid 97 and name N ) 29.23 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 98 and name HN )
( resid 98 and name N ) 6.36 0.20
;
503 1 514 44 parsed_2kid 1
21
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 107 and name HN )
( resid 107 and name N ) 22.12 0.20
;
533 1 538 45 parsed_2kid 1
22
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 115 and name HN )
! ( resid 115 and name N ) -4.070.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 116 and name HN )
( resid 116 and name N ) -26.37 0.20
;
545 1 556 46 parsed_2kid 1
23
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 120 and name HN )
( resid 120 and name N ) 20.85 0.20
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 122 and name HN )
! ( resid 122 and name N ) 17.25 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 123 and name HN )
( resid 123 and name N ) -5.5 0.20
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 130 and name HN )
! ( resid 130 and name N ) -1.36 0.20
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 131 and name HN )
! ( resid 131 and name N ) -14.94 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 133 and name HN )
( resid 133 and name N ) 6.1 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 134 and name HN )
( resid 134 and name N ) 1.92 0.20
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 143 and name HN )
( resid 143 and name N ) -14.5 0.20
;
563 1 610 45 parsed_2kid 1
24
;
!assign ( resid 500 and name OO )
! ( resid 500 and name Z )
! ( resid 500 and name X )
! ( resid 500 and name Y )
! ( resid 146 and name HN )
! ( resid 146 and name N ) -7.06 0.20
;
617 1 622 46 parsed_2kid 1
stop_
save_
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