NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
536495 |
2lbh   |
17561 | cing | 2-parsed | STAR | dipolar coupling | 80 |
data_2lbh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lbh
_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_2lbh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lbh
_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 2lbh "Master copy" parsed_2lbh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lbh
_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 2lbh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lbh 1
1 2lbh.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 245 parsed_2lbh 1
1 2lbh.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 115 parsed_2lbh 1
1 2lbh.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 80 parsed_2lbh 1
1 2lbh.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2lbh 1
1 2lbh.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lbh 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2lbh
_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 . . . . . . . . . . . . . . . . -0.18235 . . . . . 2 . N . 2 . HN parsed_2lbh 1
2 . . . . . . . . . . . . . . . . -2.30972 . . . . . 3 . N . 3 . HN parsed_2lbh 1
3 . . . . . . . . . . . . . . . . -0.06078 . . . . . 4 . N . 4 . HN parsed_2lbh 1
4 . . . . . . . . . . . . . . . . 2.613626 . . . . . 5 . N . 5 . HN parsed_2lbh 1
5 . . . . . . . . . . . . . . . . -4.13318 . . . . . 7 . N . 7 . HN parsed_2lbh 1
6 . . . . . . . . . . . . . . . . -2.00581 . . . . . 13 . N . 13 . HN parsed_2lbh 1
7 . . . . . . . . . . . . . . . . -0.30391 . . . . . 16 . N . 16 . HN parsed_2lbh 1
8 . . . . . . . . . . . . . . . . -0.60782 . . . . . 17 . N . 17 . HN parsed_2lbh 1
9 . . . . . . . . . . . . . . . . 5.652726 . . . . . 18 . N . 18 . HN parsed_2lbh 1
10 . . . . . . . . . . . . . . . . 10.33294 . . . . . 19 . N . 19 . HN parsed_2lbh 1
11 . . . . . . . . . . . . . . . . -4.86256 . . . . . 20 . N . 20 . HN parsed_2lbh 1
12 . . . . . . . . . . . . . . . . -2.61363 . . . . . 29 . N . 29 . HN parsed_2lbh 1
13 . . . . . . . . . . . . . . . . -3.52536 . . . . . 31 . N . 31 . HN parsed_2lbh 1
14 . . . . . . . . . . . . . . . . -0.54704 . . . . . 32 . N . 32 . HN parsed_2lbh 1
15 . . . . . . . . . . . . . . . . 4.193958 . . . . . 34 . N . 34 . HN parsed_2lbh 1
16 . . . . . . . . . . . . . . . . 0.36469 . . . . . 35 . N . 35 . HN parsed_2lbh 1
17 . . . . . . . . . . . . . . . . -1.64111 . . . . . 39 . N . 39 . HN parsed_2lbh 1
18 . . . . . . . . . . . . . . . . 0.850948 . . . . . 40 . N . 40 . HN parsed_2lbh 1
19 . . . . . . . . . . . . . . . . 4.315522 . . . . . 41 . N . 41 . HN parsed_2lbh 1
20 . . . . . . . . . . . . . . . . 0.060782 . . . . . 42 . N . 42 . HN parsed_2lbh 1
21 . . . . . . . . . . . . . . . . -2.79597 . . . . . 44 . N . 44 . HN parsed_2lbh 1
22 . . . . . . . . . . . . . . . . -7.35462 . . . . . 45 . N . 45 . HN parsed_2lbh 1
23 . . . . . . . . . . . . . . . . -7.05071 . . . . . 57 . N . 57 . HN parsed_2lbh 1
24 . . . . . . . . . . . . . . . . -0.60782 . . . . . 62 . N . 62 . HN parsed_2lbh 1
25 . . . . . . . . . . . . . . . . 0.91173 . . . . . 65 . N . 65 . HN parsed_2lbh 1
26 . . . . . . . . . . . . . . . . -5.59194 . . . . . 69 . N . 69 . HN parsed_2lbh 1
27 . . . . . . . . . . . . . . . . -5.89585 . . . . . 72 . N . 72 . HN parsed_2lbh 1
28 . . . . . . . . . . . . . . . . -2.37050 . . . . . 82 . N . 82 . HN parsed_2lbh 1
29 . . . . . . . . . . . . . . . . -1.76268 . . . . . 88 . N . 88 . HN parsed_2lbh 1
30 . . . . . . . . . . . . . . . . -3.52536 . . . . . 89 . N . 89 . HN parsed_2lbh 1
31 . . . . . . . . . . . . . . . . -0.85095 . . . . . 90 . N . 90 . HN parsed_2lbh 1
32 . . . . . . . . . . . . . . . . -0.18235 . . . . . 102 . N . 102 . HN parsed_2lbh 1
33 . . . . . . . . . . . . . . . . -2.30972 . . . . . 103 . N . 103 . HN parsed_2lbh 1
34 . . . . . . . . . . . . . . . . -0.06078 . . . . . 104 . N . 104 . HN parsed_2lbh 1
35 . . . . . . . . . . . . . . . . 2.613626 . . . . . 105 . N . 105 . HN parsed_2lbh 1
36 . . . . . . . . . . . . . . . . -4.13318 . . . . . 107 . N . 107 . HN parsed_2lbh 1
37 . . . . . . . . . . . . . . . . -2.00581 . . . . . 113 . N . 113 . HN parsed_2lbh 1
38 . . . . . . . . . . . . . . . . -2.06659 . . . . . 116 . N . 116 . HN parsed_2lbh 1
39 . . . . . . . . . . . . . . . . -0.60782 . . . . . 117 . N . 117 . HN parsed_2lbh 1
40 . . . . . . . . . . . . . . . . 5.652726 . . . . . 118 . N . 118 . HN parsed_2lbh 1
41 . . . . . . . . . . . . . . . . 10.33294 . . . . . 119 . N . 119 . HN parsed_2lbh 1
42 . . . . . . . . . . . . . . . . -4.86256 . . . . . 120 . N . 120 . HN parsed_2lbh 1
43 . . . . . . . . . . . . . . . . -2.61363 . . . . . 129 . N . 129 . HN parsed_2lbh 1
44 . . . . . . . . . . . . . . . . -3.52536 . . . . . 131 . N . 131 . HN parsed_2lbh 1
45 . . . . . . . . . . . . . . . . -0.54704 . . . . . 132 . N . 132 . HN parsed_2lbh 1
46 . . . . . . . . . . . . . . . . 4.193958 . . . . . 134 . N . 134 . HN parsed_2lbh 1
47 . . . . . . . . . . . . . . . . 0.36469 . . . . . 135 . N . 135 . HN parsed_2lbh 1
48 . . . . . . . . . . . . . . . . -1.64111 . . . . . 139 . N . 139 . HN parsed_2lbh 1
49 . . . . . . . . . . . . . . . . 0.850948 . . . . . 140 . N . 140 . HN parsed_2lbh 1
50 . . . . . . . . . . . . . . . . 4.315522 . . . . . 141 . N . 141 . HN parsed_2lbh 1
51 . . . . . . . . . . . . . . . . 0.060782 . . . . . 142 . N . 142 . HN parsed_2lbh 1
52 . . . . . . . . . . . . . . . . -2.79597 . . . . . 144 . N . 144 . HN parsed_2lbh 1
53 . . . . . . . . . . . . . . . . -7.35462 . . . . . 145 . N . 145 . HN parsed_2lbh 1
54 . . . . . . . . . . . . . . . . -7.05071 . . . . . 157 . N . 157 . HN parsed_2lbh 1
55 . . . . . . . . . . . . . . . . -0.60782 . . . . . 162 . N . 162 . HN parsed_2lbh 1
56 . . . . . . . . . . . . . . . . 0.91173 . . . . . 165 . N . 165 . HN parsed_2lbh 1
57 . . . . . . . . . . . . . . . . -5.59194 . . . . . 169 . N . 169 . HN parsed_2lbh 1
58 . . . . . . . . . . . . . . . . -5.89585 . . . . . 172 . N . 172 . HN parsed_2lbh 1
59 . . . . . . . . . . . . . . . . -2.37050 . . . . . 182 . N . 182 . HN parsed_2lbh 1
60 . . . . . . . . . . . . . . . . -1.76268 . . . . . 188 . N . 188 . HN parsed_2lbh 1
61 . . . . . . . . . . . . . . . . -3.52536 . . . . . 189 . N . 189 . HN parsed_2lbh 1
62 . . . . . . . . . . . . . . . . -0.85095 . . . . . 190 . N . 190 . HN parsed_2lbh 1
63 . . . . . . . . . . . . . . . . -2.613603 . . . . . 13 . N . 12 . C parsed_2lbh 1
64 . . . . . . . . . . . . . . . . 2.613626 . . . . . 17 . N . 16 . C parsed_2lbh 1
65 . . . . . . . . . . . . . . . . -1.15486 . . . . . 28 . N . 27 . C parsed_2lbh 1
66 . . . . . . . . . . . . . . . . 3.34304 . . . . . 31 . N . 30 . C parsed_2lbh 1
67 . . . . . . . . . . . . . . . . -1.27642 . . . . . 32 . N . 31 . C parsed_2lbh 1
68 . . . . . . . . . . . . . . . . 1.094076 . . . . . 63 . N . 62 . C parsed_2lbh 1
69 . . . . . . . . . . . . . . . . 0.060782 . . . . . 64 . N . 63 . C parsed_2lbh 1
70 . . . . . . . . . . . . . . . . -1.09408 . . . . . 65 . N . 64 . C parsed_2lbh 1
71 . . . . . . . . . . . . . . . . 0.850948 . . . . . 82 . N . 81 . C parsed_2lbh 1
72 . . . . . . . . . . . . . . . . -2.61303 . . . . . 113 . N . 112 . C parsed_2lbh 1
73 . . . . . . . . . . . . . . . . 2.613626 . . . . . 117 . N . 116 . C parsed_2lbh 1
74 . . . . . . . . . . . . . . . . -1.15486 . . . . . 128 . N . 127 . C parsed_2lbh 1
75 . . . . . . . . . . . . . . . . 3.34301 . . . . . 131 . N . 130 . C parsed_2lbh 1
76 . . . . . . . . . . . . . . . . -1.27642 . . . . . 132 . N . 131 . C parsed_2lbh 1
77 . . . . . . . . . . . . . . . . 1.094076 . . . . . 163 . N . 162 . C parsed_2lbh 1
78 . . . . . . . . . . . . . . . . 0.060782 . . . . . 164 . N . 163 . C parsed_2lbh 1
79 . . . . . . . . . . . . . . . . -1.09408 . . . . . 165 . N . 164 . C parsed_2lbh 1
80 . . . . . . . . . . . . . . . . 0.850948 . . . . . 182 . N . 181 . C parsed_2lbh 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 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 2 and name N )
( resid 1 and name C ) -1.6411 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 3 and name N )
( resid 2 and name C ) -2.00581 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 4 and name N )
( resid 3 and name C ) 1.154858 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 5 and name N )
( resid 4 and name C ) 1.51955 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 7 and name N )
( resid 6 and name C ) 1.884242 0.40000
;
446 1 479 54 parsed_2lbh 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 90 and name N )
( resid 89 and name C ) 2.674408 0.4000
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 N )
( resid 101 and name C ) -1.6411 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 103 and name N )
( resid 102 and name C ) -2.00581 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 104 and name N )
( resid 103 and name C ) -1.82346 0.4000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 105 and name N )
( resid 104 and name C ) 1.51955 0.4000
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 N )
( resid 106 and name C ) -0.79017 0.4000
;
545 1 585 53 parsed_2lbh 1
stop_
save_
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