NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
616383 |
5vj8   |
30284 | cing | 2-parsed | STAR | distance | NOE | simple | 37 |
data_5vj8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5vj8
_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_5vj8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5vj8
_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 5vj8 "Master copy" parsed_5vj8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5vj8
_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 5vj8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5vj8 1
1 5vj8.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 162 parsed_5vj8 1
1 5vj8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 67 parsed_5vj8 1
1 5vj8.mr . . XPLOR/CNS 4 distance NOE simple 37 parsed_5vj8 1
1 5vj8.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5vj8 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5vj8
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_5vj8 1
2 1 . . . parsed_5vj8 1
3 1 . . . parsed_5vj8 1
4 1 . . . parsed_5vj8 1
5 1 . . . parsed_5vj8 1
6 1 . . . parsed_5vj8 1
7 1 . . . parsed_5vj8 1
8 1 . . . parsed_5vj8 1
9 1 . . . parsed_5vj8 1
10 1 . . . parsed_5vj8 1
11 1 . . . parsed_5vj8 1
12 1 . . . parsed_5vj8 1
13 1 . . . parsed_5vj8 1
14 1 . . . parsed_5vj8 1
15 1 . . . parsed_5vj8 1
16 1 . . . parsed_5vj8 1
17 1 . . . parsed_5vj8 1
18 1 . . . parsed_5vj8 1
19 1 . . . parsed_5vj8 1
20 1 . . . parsed_5vj8 1
21 1 . . . parsed_5vj8 1
22 1 . . . parsed_5vj8 1
23 1 . . . parsed_5vj8 1
24 1 . . . parsed_5vj8 1
25 1 . . . parsed_5vj8 1
26 1 . . . parsed_5vj8 1
27 1 . . . parsed_5vj8 1
28 1 . . . parsed_5vj8 1
29 1 . . . parsed_5vj8 1
30 1 . . . parsed_5vj8 1
31 1 . . . parsed_5vj8 1
32 1 . . . parsed_5vj8 1
33 1 . . . parsed_5vj8 1
34 1 . . . parsed_5vj8 1
35 1 . . . parsed_5vj8 1
36 1 . . . parsed_5vj8 1
37 1 . . . parsed_5vj8 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 5 . HN parsed_5vj8 1
1 1 2 . . . . . . . . . 34 . HN parsed_5vj8 1
2 1 1 . . . . . . . . . 7 . HN parsed_5vj8 1
2 1 2 . . . . . . . . . 32 . HN parsed_5vj8 1
3 1 1 . . . . . . . . . 9 . HN parsed_5vj8 1
3 1 2 . . . . . . . . . 30 . HN parsed_5vj8 1
4 1 1 . . . . . . . . . 11 . HN parsed_5vj8 1
4 1 2 . . . . . . . . . 28 . HN parsed_5vj8 1
5 1 1 . . . . . . . . . 29 . HN parsed_5vj8 1
5 1 2 . . . . . . . . . 49 . HN parsed_5vj8 1
6 1 1 . . . . . . . . . 31 . HN parsed_5vj8 1
6 1 2 . . . . . . . . . 47 . HN parsed_5vj8 1
7 1 1 . . . . . . . . . 33 . HN parsed_5vj8 1
7 1 2 . . . . . . . . . 45 . HN parsed_5vj8 1
8 1 1 . . . . . . . . . 35 . HN parsed_5vj8 1
8 1 2 . . . . . . . . . 43 . HN parsed_5vj8 1
9 1 1 . . . . . . . . . 42 . HN parsed_5vj8 1
9 1 2 . . . . . . . . . 78 . HN parsed_5vj8 1
10 1 1 . . . . . . . . . 44 . HN parsed_5vj8 1
10 1 2 . . . . . . . . . 76 . HN parsed_5vj8 1
11 1 1 . . . . . . . . . 46 . HN parsed_5vj8 1
11 1 2 . . . . . . . . . 74 . HN parsed_5vj8 1
12 1 1 . . . . . . . . . 48 . HN parsed_5vj8 1
12 1 2 . . . . . . . . . 72 . HN parsed_5vj8 1
13 1 1 . . . . . . . . . 50 . HN parsed_5vj8 1
13 1 2 . . . . . . . . . 70 . HN parsed_5vj8 1
14 1 1 . . . . . . . . . 71 . HN parsed_5vj8 1
14 1 2 . . . . . . . . . 95 . HN parsed_5vj8 1
15 1 1 . . . . . . . . . 73 . HN parsed_5vj8 1
15 1 2 . . . . . . . . . 93 . HN parsed_5vj8 1
16 1 1 . . . . . . . . . 75 . HN parsed_5vj8 1
16 1 2 . . . . . . . . . 91 . HN parsed_5vj8 1
17 1 1 . . . . . . . . . 79 . HN parsed_5vj8 1
17 1 2 . . . . . . . . . 87 . HN parsed_5vj8 1
18 1 1 . . . . . . . . . 81 . HN parsed_5vj8 1
18 1 2 . . . . . . . . . 85 . HN parsed_5vj8 1
19 1 1 . . . . . . . . . 82 . HN parsed_5vj8 1
19 1 2 . . . . . . . . . 84 . HN parsed_5vj8 1
20 1 1 . . . . . . . . . 86 . HN parsed_5vj8 1
20 1 2 . . . . . . . . . 122 . HN parsed_5vj8 1
21 1 1 . . . . . . . . . 88 . HN parsed_5vj8 1
21 1 2 . . . . . . . . . 120 . HN parsed_5vj8 1
22 1 1 . . . . . . . . . 90 . HN parsed_5vj8 1
22 1 2 . . . . . . . . . 118 . HN parsed_5vj8 1
23 1 1 . . . . . . . . . 92 . HN parsed_5vj8 1
23 1 2 . . . . . . . . . 116 . HN parsed_5vj8 1
24 1 1 . . . . . . . . . 94 . HN parsed_5vj8 1
24 1 2 . . . . . . . . . 114 . HN parsed_5vj8 1
25 1 1 . . . . . . . . . 117 . HN parsed_5vj8 1
25 1 2 . . . . . . . . . 137 . HN parsed_5vj8 1
26 1 1 . . . . . . . . . 119 . HN parsed_5vj8 1
26 1 2 . . . . . . . . . 135 . HN parsed_5vj8 1
27 1 1 . . . . . . . . . 121 . HN parsed_5vj8 1
27 1 2 . . . . . . . . . 133 . HN parsed_5vj8 1
28 1 1 . . . . . . . . . 123 . HN parsed_5vj8 1
28 1 2 . . . . . . . . . 131 . HN parsed_5vj8 1
29 1 1 . . . . . . . . . 130 . HN parsed_5vj8 1
29 1 2 . . . . . . . . . 153 . HN parsed_5vj8 1
30 1 1 . . . . . . . . . 132 . HN parsed_5vj8 1
30 1 2 . . . . . . . . . 151 . HN parsed_5vj8 1
31 1 1 . . . . . . . . . 134 . HN parsed_5vj8 1
31 1 2 . . . . . . . . . 149 . HN parsed_5vj8 1
32 1 1 . . . . . . . . . 136 . HN parsed_5vj8 1
32 1 2 . . . . . . . . . 147 . HN parsed_5vj8 1
33 1 1 . . . . . . . . . 138 . HN parsed_5vj8 1
33 1 2 . . . . . . . . . 145 . HN parsed_5vj8 1
34 1 1 . . . . . . . . . 148 . HN parsed_5vj8 1
34 1 2 . . . . . . . . . 12 . HN parsed_5vj8 1
35 1 1 . . . . . . . . . 150 . HN parsed_5vj8 1
35 1 2 . . . . . . . . . 10 . HN parsed_5vj8 1
36 1 1 . . . . . . . . . 152 . HN parsed_5vj8 1
36 1 2 . . . . . . . . . 8 . HN parsed_5vj8 1
37 1 1 . . . . . . . . . 154 . HN parsed_5vj8 1
37 1 2 . . . . . . . . . 6 . HN parsed_5vj8 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
2 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
3 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
4 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
5 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
6 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
7 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
8 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
9 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
10 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
11 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
12 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
13 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
14 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
15 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
16 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
17 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
18 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
19 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
20 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
21 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
22 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
23 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
24 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
25 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
26 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
27 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
28 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
29 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
30 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
31 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
32 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
33 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
34 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
35 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
36 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
37 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
! NOE distances for Y. pestis Ail in DMPC/DMPG nanodiscs
beta 1 and 2
=====================================================================
;
2 1 5 71 parsed_5vj8 1
2
;
beta 2 and beta 3
=====================================================================
;
11 1 12 71 parsed_5vj8 1
3
;
beta 3 and beta 4
=====================================================================
;
18 1 19 71 parsed_5vj8 1
4
;
beta 4 and beta 5
=====================================================================
;
26 1 27 71 parsed_5vj8 1
5
;
beta 5 and beta 6
=====================================================================
;
35 1 36 71 parsed_5vj8 1
6
;
beta 6 and beta 7
=====================================================================
;
44 1 45 71 parsed_5vj8 1
7
;
beta 7 and beta 8
=====================================================================
;
52 1 53 71 parsed_5vj8 1
8
;
beta 8 and beta 1
=====================================================================
;
60 1 61 71 parsed_5vj8 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 3: noe_170228b.tbl" 1 1 1 36 parsed_5vj8 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 6:31:47 AM GMT (wattos1)