NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
646483 |
6mie   |
30517 | cing | 2-parsed | STAR | dipolar coupling | 54 |
data_6mie_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6mie
_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_6mie 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6mie
_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 6mie "Master copy" parsed_6mie
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6mie
_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 6mie.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6mie 1
1 6mie.mr . . XPLOR/CNS 2 distance PRE "Not applicable" 403 parsed_6mie 1
1 6mie.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 54 parsed_6mie 1
1 6mie.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_6mie 1
1 6mie.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6mie 1
1 6mie.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6mie 1
1 6mie.mr . . XPLOR/CNS 7 distance "hydrogen bond" simple 0 parsed_6mie 1
1 6mie.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6mie 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6mie
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . 1.7 1.2 2.2 . . . 8 . HN . 8 . N parsed_6mie 1
2 . . . . . . . . . . . . . . . . -2.1 -2.6 -1.6 . . . 9 . HN . 9 . N parsed_6mie 1
3 . . . . . . . . . . . . . . . . 3.4 2.9 3.9 . . . 10 . HN . 10 . N parsed_6mie 1
4 . . . . . . . . . . . . . . . . -1.3 -1.8 -0.8 . . . 11 . HN . 11 . N parsed_6mie 1
5 . . . . . . . . . . . . . . . . 2.8 2.3 3.3 . . . 12 . HN . 12 . N parsed_6mie 1
6 . . . . . . . . . . . . . . . . -1.9 -2.4 -1.4 . . . 13 . HN . 13 . N parsed_6mie 1
7 . . . . . . . . . . . . . . . . 6.5 6.0 7.0 . . . 14 . HN . 14 . N parsed_6mie 1
8 . . . . . . . . . . . . . . . . -0.7 -1.2 -0.2 . . . 15 . HN . 15 . N parsed_6mie 1
9 . . . . . . . . . . . . . . . . 2.3 1.8 2.8 . . . 21 . HN . 21 . N parsed_6mie 1
10 . . . . . . . . . . . . . . . . 11.1 10.6 11.6 . . . 23 . HN . 23 . N parsed_6mie 1
11 . . . . . . . . . . . . . . . . -3.2 -3.7 -2.7 . . . 31 . HN . 31 . N parsed_6mie 1
12 . . . . . . . . . . . . . . . . 4.7 4.2 5.2 . . . 35 . HN . 35 . N parsed_6mie 1
13 . . . . . . . . . . . . . . . . 10.8 10.3 11.3 . . . 39 . HN . 39 . N parsed_6mie 1
14 . . . . . . . . . . . . . . . . 1.2 0.7 1.7 . . . 59 . HN . 59 . N parsed_6mie 1
15 . . . . . . . . . . . . . . . . 2.2 1.7 2.7 . . . 62 . HN . 62 . N parsed_6mie 1
16 . . . . . . . . . . . . . . . . 4.5 4.0 5.0 . . . 66 . HN . 66 . N parsed_6mie 1
17 . . . . . . . . . . . . . . . . -1.3 -1.8 -0.8 . . . 69 . HN . 69 . N parsed_6mie 1
18 . . . . . . . . . . . . . . . . -2.4 -2.9 -1.9 . . . 72 . HN . 72 . N parsed_6mie 1
19 . . . . . . . . . . . . . . . . 7.4 6.9 7.9 . . . 76 . HN . 76 . N parsed_6mie 1
20 . . . . . . . . . . . . . . . . -1.7 -2.2 -1.2 . . . 77 . HN . 77 . N parsed_6mie 1
21 . . . . . . . . . . . . . . . . 0.8 0.3 1.3 . . . 78 . HN . 78 . N parsed_6mie 1
22 . . . . . . . . . . . . . . . . 4 3.5 4.5 . . . 79 . HN . 79 . N parsed_6mie 1
23 . . . . . . . . . . . . . . . . -3.4 -3.9 -2.9 . . . 80 . HN . 80 . N parsed_6mie 1
24 . . . . . . . . . . . . . . . . -4.1 -4.6 -3.6 . . . 85 . HN . 85 . N parsed_6mie 1
25 . . . . . . . . . . . . . . . . 1.6 1.1 2.1 . . . 87 . HN . 87 . N parsed_6mie 1
26 . . . . . . . . . . . . . . . . -0.8 -1.3 -0.3 . . . 88 . HN . 88 . N parsed_6mie 1
27 . . . . . . . . . . . . . . . . 0.8 0.3 1.3 . . . 89 . HN . 89 . N parsed_6mie 1
28 . . . . . . . . . . . . . . . . 2 1.5 2.5 . . . 90 . HN . 90 . N parsed_6mie 1
29 . . . . . . . . . . . . . . . . 2.3 1.8 2.8 . . . 91 . HN . 91 . N parsed_6mie 1
30 . . . . . . . . . . . . . . . . -2.5 -3.0 -2.0 . . . 92 . HN . 92 . N parsed_6mie 1
31 . . . . . . . . . . . . . . . . 11.5 11.0 12.0 . . . 109 . HN . 109 . N parsed_6mie 1
32 . . . . . . . . . . . . . . . . 10.9 10.4 11.4 . . . 110 . HN . 110 . N parsed_6mie 1
33 . . . . . . . . . . . . . . . . 15 14.5 15.5 . . . 111 . HN . 111 . N parsed_6mie 1
34 . . . . . . . . . . . . . . . . 8.8 8.3 9.3 . . . 114 . HN . 114 . N parsed_6mie 1
35 . . . . . . . . . . . . . . . . 11.3 10.8 11.8 . . . 116 . HN . 116 . N parsed_6mie 1
36 . . . . . . . . . . . . . . . . -3.8 -4.3 -3.3 . . . 121 . HN . 121 . N parsed_6mie 1
37 . . . . . . . . . . . . . . . . -9.3 -9.8 -8.8 . . . 122 . HN . 122 . N parsed_6mie 1
38 . . . . . . . . . . . . . . . . -12.3 -12.8 -11.8 . . . 123 . HN . 123 . N parsed_6mie 1
39 . . . . . . . . . . . . . . . . -4.8 -5.3 -4.3 . . . 124 . HN . 124 . N parsed_6mie 1
40 . . . . . . . . . . . . . . . . -2.1 -2.6 -1.6 . . . 125 . HN . 125 . N parsed_6mie 1
41 . . . . . . . . . . . . . . . . -10 -10.5 -9.5 . . . 126 . HN . 126 . N parsed_6mie 1
42 . . . . . . . . . . . . . . . . -7.1 -7.6 -6.6 . . . 127 . HN . 127 . N parsed_6mie 1
43 . . . . . . . . . . . . . . . . 1.2 0.7 1.7 . . . 128 . HN . 128 . N parsed_6mie 1
44 . . . . . . . . . . . . . . . . -3 -3.5 -2.5 . . . 129 . HN . 129 . N parsed_6mie 1
45 . . . . . . . . . . . . . . . . -7.8 -8.3 -7.3 . . . 130 . HN . 130 . N parsed_6mie 1
46 . . . . . . . . . . . . . . . . 1.6 1.1 2.1 . . . 131 . HN . 131 . N parsed_6mie 1
47 . . . . . . . . . . . . . . . . 1.7 1.2 2.2 . . . 132 . HN . 132 . N parsed_6mie 1
48 . . . . . . . . . . . . . . . . -1.6 -2.1 -1.1 . . . 133 . HN . 133 . N parsed_6mie 1
49 . . . . . . . . . . . . . . . . 2.8 2.3 3.3 . . . 134 . HN . 134 . N parsed_6mie 1
50 . . . . . . . . . . . . . . . . 8.8 8.3 9.3 . . . 135 . HN . 135 . N parsed_6mie 1
51 . . . . . . . . . . . . . . . . 2.4 1.9 2.9 . . . 136 . HN . 136 . N parsed_6mie 1
52 . . . . . . . . . . . . . . . . 3.8 3.3 4.3 . . . 137 . HN . 137 . N parsed_6mie 1
53 . . . . . . . . . . . . . . . . 6.7 6.2 7.2 . . . 138 . HN . 138 . N parsed_6mie 1
54 . . . . . . . . . . . . . . . . 6.8 6.3 7.3 . . . 139 . HN . 139 . N parsed_6mie 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 file 2: rdc.tbl" 1 1 1 28 parsed_6mie 1
2 "#" 108 1 108 1 parsed_6mie 1
3
;
assign ( resid 5000 and name OO )
# ( resid 5000 and name Z )
# ( resid 5000 and name X )
# ( resid 5000 and name Y )
# ( resid 65 and name HN )
# ( resid 65 and name N ) -0.6 0.5 0.5
;
108 3 113 38 parsed_6mie 1
4
;
#assign ( resid 5000 and name OO ) # in loop
#( resid 5000 and name Z )
#( resid 5000 and name X )
#( resid 5000 and name Y )
#( resid 81 and name HN )
#( resid 81 and name N ) 2.3 0.5 0.5
#assign ( resid 5000 and name OO ) # in loop
#( resid 5000 and name Z )
#( resid 5000 and name X )
#( resid 5000 and name Y )
#( resid 82 and name HN )
#( resid 82 and name N ) -7.5 0.5 0.5
#assign ( resid 5000 and name OO ) # in loop
#( resid 5000 and name Z )
#( resid 5000 and name X )
#( resid 5000 and name Y )
#( resid 83 and name HN )
#( resid 83 and name N ) -1.5 0.5 0.5
;
171 1 190 37 parsed_6mie 1
5
;
#assign ( resid 5000 and name OO )
#( resid 5000 and name Z )
#( resid 5000 and name X )
#( resid 5000 and name Y )
#( resid 108 and name HN )
#( resid 108 and name N ) 12.8 0.5 0.5
;
241 1 246 38 parsed_6mie 1
6
;
#assign ( resid 5000 and name OO )
#( resid 5000 and name Z )
#( resid 5000 and name X )
#( resid 5000 and name Y )
#( resid 115 and name HN )
#( resid 115 and name N ) 13.1 0.5 0.5
;
276 1 281 38 parsed_6mie 1
stop_
save_
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