NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
42116 |
1y0j   |
4423 | cing | 2-parsed | STAR | distance | NOE | simple | 27 |
data_1y0j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1y0j
_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_1y0j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1y0j
_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 1y0j "Master copy" parsed_1y0j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1y0j
_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 1y0j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1y0j 1
1 1y0j.mr . . XPLOR/CNS 2 distance NOE simple 27 parsed_1y0j 1
1 1y0j.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_1y0j 1
1 1y0j.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_1y0j 1
1 1y0j.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1y0j 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1y0j
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_1y0j 1
2 1 . . . parsed_1y0j 1
3 1 . . . parsed_1y0j 1
4 1 . . . parsed_1y0j 1
5 1 . . . parsed_1y0j 1
6 1 . . . parsed_1y0j 1
7 1 . . . parsed_1y0j 1
8 1 . . . parsed_1y0j 1
9 1 . . . parsed_1y0j 1
10 1 . . . parsed_1y0j 1
11 1 . . . parsed_1y0j 1
12 1 . . . parsed_1y0j 1
13 1 . . . parsed_1y0j 1
14 1 . . . parsed_1y0j 1
15 1 . . . parsed_1y0j 1
16 1 . . . parsed_1y0j 1
17 1 . . . parsed_1y0j 1
18 1 . . . parsed_1y0j 1
19 1 . . . parsed_1y0j 1
20 1 . . . parsed_1y0j 1
21 1 . . . parsed_1y0j 1
22 1 . . . parsed_1y0j 1
23 1 . . . parsed_1y0j 1
24 1 . . . parsed_1y0j 1
25 1 . . . parsed_1y0j 1
26 1 . . . parsed_1y0j 1
27 1 . . . parsed_1y0j 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 . . . . . . . . A 205 . HG2# parsed_1y0j 1
1 1 2 . . . . . . . . B 27 . HN parsed_1y0j 1
2 1 1 . . . . . . . . A 224 . HD# parsed_1y0j 1
2 1 2 . . . . . . . . B 27 . HN parsed_1y0j 1
3 1 1 . . . . . . . . A 224 . HD2# parsed_1y0j 1
3 1 2 . . . . . . . . B 30 . HE2 parsed_1y0j 1
4 1 1 . . . . . . . . A 205 . HG2# parsed_1y0j 1
4 1 2 . . . . . . . . B 30 . HE2 parsed_1y0j 1
5 1 1 . . . . . . . . A 208 . HA1 parsed_1y0j 1
5 1 2 . . . . . . . . B 16 . HG2# parsed_1y0j 1
6 1 1 . . . . . . . . A 208 . HA2 parsed_1y0j 1
6 1 2 . . . . . . . . B 16 . HG2# parsed_1y0j 1
7 1 1 . . . . . . . . A 207 . HA parsed_1y0j 1
7 1 2 . . . . . . . . B 16 . HG1# parsed_1y0j 1
8 1 1 . . . . . . . . A 207 . HA parsed_1y0j 1
8 1 2 . . . . . . . . B 16 . HG2# parsed_1y0j 1
9 1 1 . . . . . . . . A 205 . HA parsed_1y0j 1
9 1 2 . . . . . . . . B 26 . HB# parsed_1y0j 1
10 1 1 . . . . . . . . A 205 . HG2# parsed_1y0j 1
10 1 2 . . . . . . . . B 27 . HN parsed_1y0j 1
11 1 1 . . . . . . . . A 224 . HD2# parsed_1y0j 1
11 1 2 . . . . . . . . B 27 . HN parsed_1y0j 1
12 1 1 . . . . . . . . A 222 . HE1 parsed_1y0j 1
12 1 2 . . . . . . . . B 26 . HB# parsed_1y0j 1
13 1 1 . . . . . . . . A 222 . HE1 parsed_1y0j 1
13 1 2 . . . . . . . . B 26 . HA parsed_1y0j 1
14 1 1 . . . . . . . . A 222 . HE1 parsed_1y0j 1
14 1 2 . . . . . . . . B 26 . HB3 parsed_1y0j 1
15 1 1 . . . . . . . . A 222 . HE1 parsed_1y0j 1
15 1 2 . . . . . . . . B 26 . HB2 parsed_1y0j 1
16 1 1 . . . . . . . . A 206 . HD22 parsed_1y0j 1
16 1 2 . . . . . . . . B 30 . HE1 parsed_1y0j 1
17 1 1 . . . . . . . . A 206 . HD21 parsed_1y0j 1
17 1 2 . . . . . . . . B 30 . HE1 parsed_1y0j 1
18 1 1 . . . . . . . . A 206 . HD21 parsed_1y0j 1
18 1 2 . . . . . . . . B 30 . HE2 parsed_1y0j 1
19 1 1 . . . . . . . . A 206 . HD21 parsed_1y0j 1
19 1 2 . . . . . . . . B 30 . HA parsed_1y0j 1
20 1 1 . . . . . . . . A 206 . HD22 parsed_1y0j 1
20 1 2 . . . . . . . . B 30 . HA parsed_1y0j 1
21 1 1 . . . . . . . . A 206 . HD21 parsed_1y0j 1
21 1 2 . . . . . . . . B 26 . HA parsed_1y0j 1
22 1 1 . . . . . . . . A 206 . HD22 parsed_1y0j 1
22 1 2 . . . . . . . . B 26 . HA parsed_1y0j 1
23 1 1 . . . . . . . . A 206 . HD21 parsed_1y0j 1
23 1 2 . . . . . . . . B 29 . HB# parsed_1y0j 1
24 1 1 . . . . . . . . A 206 . HD22 parsed_1y0j 1
24 1 2 . . . . . . . . B 29 . HB# parsed_1y0j 1
25 1 1 . . . . . . . . A 222 . HD2 parsed_1y0j 1
25 1 2 . . . . . . . . B 23 . HG2# parsed_1y0j 1
26 1 1 . . . . . . . . A 222 . HD2 parsed_1y0j 1
26 1 2 . . . . . . . . B 26 . HB# parsed_1y0j 1
27 1 1 . . . . . . . . A 222 . HD2 parsed_1y0j 1
27 1 2 . . . . . . . . B 23 . HA parsed_1y0j 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 . . . . . 5.000 4.000 6.000 parsed_1y0j 1
2 1 . . . . . 5.000 4.000 6.000 parsed_1y0j 1
3 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
4 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
5 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
6 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
7 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
8 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
9 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
10 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
11 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
12 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
13 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
14 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
15 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
16 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
17 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
18 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
19 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
20 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
21 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
22 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
23 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
24 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
25 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
26 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 1
27 1 . . . . . 5.000 0.000 6.000 parsed_1y0j 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 "Unambiguous NOE restraints from filtered experiments ASSI" 2 1 2 61 parsed_1y0j 1
2 6744 14 1 14 7 parsed_1y0j 1
3 6745 19 1 19 7 parsed_1y0j 1
4 6758 24 1 24 7 parsed_1y0j 1
5 6757 29 1 29 7 parsed_1y0j 1
6 6759 34 1 34 7 parsed_1y0j 1
7 6760 39 1 39 7 parsed_1y0j 1
8 6764 44 1 44 7 parsed_1y0j 1
9 6772 49 1 49 7 parsed_1y0j 1
10 6771 54 1 54 7 parsed_1y0j 1
11 6777 59 1 59 7 parsed_1y0j 1
12 6776 64 1 64 7 parsed_1y0j 1
13 6775 69 1 69 7 parsed_1y0j 1
14 6774 74 1 74 7 parsed_1y0j 1
15 6782 79 1 79 7 parsed_1y0j 1
16 6781 84 1 84 7 parsed_1y0j 1
17 6785 89 1 89 7 parsed_1y0j 1
18 6783 94 1 94 7 parsed_1y0j 1
19 6784 99 1 99 7 parsed_1y0j 1
20 6786 104 1 104 7 parsed_1y0j 1
21 6787 109 1 109 7 parsed_1y0j 1
22 6790 114 1 114 7 parsed_1y0j 1
23 6791 119 1 119 7 parsed_1y0j 1
24 6793 124 1 124 7 parsed_1y0j 1
25 6792 129 1 129 7 parsed_1y0j 1
26 6796 134 1 134 7 parsed_1y0j 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
;
(( segid A and resid 208 and name HA2 ))
(( segid B and resid 16 and name HG2# ))
5.000 1.000 1.000
;
3 4 5 31 parsed_1y0j 1
stop_
save_
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