NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
52933 |
2oed   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 34 |
data_2oed_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oed
_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_2oed 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oed
_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 2oed "Master copy" parsed_2oed
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oed
_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 2oed.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . n/a 2 protocol "structure calculation" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 7 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 9 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 10 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 11 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 12 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 13 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 15 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 16 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 17 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 18 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . XPLOR/CNS 19 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2oed 1
1 2oed.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oed 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2oed
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2oed 1
2 1 . . . parsed_2oed 1
3 1 . . . parsed_2oed 1
4 1 . . . parsed_2oed 1
5 1 . . . parsed_2oed 1
6 1 . . . parsed_2oed 1
7 1 . . . parsed_2oed 1
8 1 . . . parsed_2oed 1
9 1 . . . parsed_2oed 1
10 1 . . . parsed_2oed 1
11 1 . . . parsed_2oed 1
12 1 . . . parsed_2oed 1
13 1 . . . parsed_2oed 1
14 1 . . . parsed_2oed 1
15 1 . . . parsed_2oed 1
16 1 . . . parsed_2oed 1
17 1 . . . parsed_2oed 1
18 1 . . . parsed_2oed 1
19 1 . . . parsed_2oed 1
20 1 . . . parsed_2oed 1
21 1 . . . parsed_2oed 1
22 1 . . . parsed_2oed 1
23 1 . . . parsed_2oed 1
24 1 . . . parsed_2oed 1
25 1 . . . parsed_2oed 1
26 1 . . . parsed_2oed 1
27 1 . . . parsed_2oed 1
28 1 . . . parsed_2oed 1
29 1 . . . parsed_2oed 1
30 1 . . . parsed_2oed 1
31 1 . . . parsed_2oed 1
32 1 . . . parsed_2oed 1
33 1 . . . parsed_2oed 1
34 1 . . . parsed_2oed 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 . . . . . . . . GB3N 18 . O parsed_2oed 1
1 1 2 . . . . . . . . GB3N 3 . N parsed_2oed 1
2 1 1 . . . . . . . . GB3N 50 . O parsed_2oed 1
2 1 2 . . . . . . . . GB3N 4 . N parsed_2oed 1
3 1 1 . . . . . . . . GB3N 16 . O parsed_2oed 1
3 1 2 . . . . . . . . GB3N 5 . N parsed_2oed 1
4 1 1 . . . . . . . . GB3N 14 . O parsed_2oed 1
4 1 2 . . . . . . . . GB3N 7 . N parsed_2oed 1
5 1 1 . . . . . . . . GB3N 54 . O parsed_2oed 1
5 1 2 . . . . . . . . GB3N 8 . N parsed_2oed 1
6 1 1 . . . . . . . . GB3N 12 . O parsed_2oed 1
6 1 2 . . . . . . . . GB3N 9 . N parsed_2oed 1
7 1 1 . . . . . . . . GB3N 7 . O parsed_2oed 1
7 1 2 . . . . . . . . GB3N 14 . N parsed_2oed 1
8 1 1 . . . . . . . . GB3N 5 . O parsed_2oed 1
8 1 2 . . . . . . . . GB3N 16 . N parsed_2oed 1
9 1 1 . . . . . . . . GB3N 3 . O parsed_2oed 1
9 1 2 . . . . . . . . GB3N 18 . N parsed_2oed 1
10 1 1 . . . . . . . . GB3N 1 . O parsed_2oed 1
10 1 2 . . . . . . . . GB3N 20 . N parsed_2oed 1
11 1 1 . . . . . . . . GB3N 22 . O parsed_2oed 1
11 1 2 . . . . . . . . GB3N 26 . N parsed_2oed 1
12 1 1 . . . . . . . . GB3N 23 . O parsed_2oed 1
12 1 2 . . . . . . . . GB3N 27 . N parsed_2oed 1
13 1 1 . . . . . . . . GB3N 24 . O parsed_2oed 1
13 1 2 . . . . . . . . GB3N 28 . N parsed_2oed 1
14 1 1 . . . . . . . . GB3N 25 . O parsed_2oed 1
14 1 2 . . . . . . . . GB3N 29 . N parsed_2oed 1
15 1 1 . . . . . . . . GB3N 26 . O parsed_2oed 1
15 1 2 . . . . . . . . GB3N 30 . N parsed_2oed 1
16 1 1 . . . . . . . . GB3N 27 . O parsed_2oed 1
16 1 2 . . . . . . . . GB3N 31 . N parsed_2oed 1
17 1 1 . . . . . . . . GB3N 28 . O parsed_2oed 1
17 1 2 . . . . . . . . GB3N 32 . N parsed_2oed 1
18 1 1 . . . . . . . . GB3N 29 . O parsed_2oed 1
18 1 2 . . . . . . . . GB3N 33 . N parsed_2oed 1
19 1 1 . . . . . . . . GB3N 30 . O parsed_2oed 1
19 1 2 . . . . . . . . GB3N 34 . N parsed_2oed 1
20 1 1 . . . . . . . . GB3N 31 . O parsed_2oed 1
20 1 2 . . . . . . . . GB3N 35 . N parsed_2oed 1
21 1 1 . . . . . . . . GB3N 32 . O parsed_2oed 1
21 1 2 . . . . . . . . GB3N 36 . N parsed_2oed 1
22 1 1 . . . . . . . . GB3N 33 . O parsed_2oed 1
22 1 2 . . . . . . . . GB3N 37 . N parsed_2oed 1
23 1 1 . . . . . . . . GB3N 35 . O parsed_2oed 1
23 1 2 . . . . . . . . GB3N 38 . N parsed_2oed 1
24 1 1 . . . . . . . . GB3N 34 . O parsed_2oed 1
24 1 2 . . . . . . . . GB3N 39 . N parsed_2oed 1
25 1 1 . . . . . . . . GB3N 55 . O parsed_2oed 1
25 1 2 . . . . . . . . GB3N 42 . N parsed_2oed 1
26 1 1 . . . . . . . . GB3N 53 . O parsed_2oed 1
26 1 2 . . . . . . . . GB3N 44 . N parsed_2oed 1
27 1 1 . . . . . . . . GB3N 51 . O parsed_2oed 1
27 1 2 . . . . . . . . GB3N 46 . N parsed_2oed 1
28 1 1 . . . . . . . . GB3N 46 . O parsed_2oed 1
28 1 2 . . . . . . . . GB3N 49 . N parsed_2oed 1
29 1 1 . . . . . . . . GB3N 46 . O parsed_2oed 1
29 1 2 . . . . . . . . GB3N 51 . N parsed_2oed 1
30 1 1 . . . . . . . . GB3N 4 . O parsed_2oed 1
30 1 2 . . . . . . . . GB3N 52 . N parsed_2oed 1
31 1 1 . . . . . . . . GB3N 44 . O parsed_2oed 1
31 1 2 . . . . . . . . GB3N 53 . N parsed_2oed 1
32 1 1 . . . . . . . . GB3N 6 . O parsed_2oed 1
32 1 2 . . . . . . . . GB3N 54 . N parsed_2oed 1
33 1 1 . . . . . . . . GB3N 42 . O parsed_2oed 1
33 1 2 . . . . . . . . GB3N 55 . N parsed_2oed 1
34 1 1 . . . . . . . . GB3N 8 . O parsed_2oed 1
34 1 2 . . . . . . . . GB3N 56 . N parsed_2oed 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 . . . . . 2.88 2.78 2.98 parsed_2oed 1
2 1 . . . . . 3.04 2.94 3.14 parsed_2oed 1
3 1 . . . . . 2.88 2.78 2.98 parsed_2oed 1
4 1 . . . . . 2.85 2.75 2.95 parsed_2oed 1
5 1 . . . . . 2.87 2.77 2.97 parsed_2oed 1
6 1 . . . . . 2.94 2.84 3.04 parsed_2oed 1
7 1 . . . . . 3.10 3.00 3.20 parsed_2oed 1
8 1 . . . . . 3.02 2.92 3.12 parsed_2oed 1
9 1 . . . . . 2.99 2.89 3.09 parsed_2oed 1
10 1 . . . . . 2.97 2.87 3.07 parsed_2oed 1
11 1 . . . . . 3.24 3.14 3.34 parsed_2oed 1
12 1 . . . . . 2.90 2.80 3.00 parsed_2oed 1
13 1 . . . . . 3.14 3.04 3.24 parsed_2oed 1
14 1 . . . . . 3.17 3.07 3.27 parsed_2oed 1
15 1 . . . . . 2.91 2.81 3.01 parsed_2oed 1
16 1 . . . . . 2.84 2.74 2.94 parsed_2oed 1
17 1 . . . . . 3.06 2.96 3.16 parsed_2oed 1
18 1 . . . . . 2.98 2.88 3.08 parsed_2oed 1
19 1 . . . . . 2.91 2.81 3.01 parsed_2oed 1
20 1 . . . . . 2.93 2.83 3.03 parsed_2oed 1
21 1 . . . . . 2.82 2.72 2.92 parsed_2oed 1
22 1 . . . . . 3.16 3.06 3.26 parsed_2oed 1
23 1 . . . . . 3.17 3.07 3.27 parsed_2oed 1
24 1 . . . . . 2.90 2.80 3.00 parsed_2oed 1
25 1 . . . . . 2.95 2.85 3.05 parsed_2oed 1
26 1 . . . . . 2.95 2.85 3.05 parsed_2oed 1
27 1 . . . . . 2.95 2.85 3.05 parsed_2oed 1
28 1 . . . . . 3.34 3.24 3.44 parsed_2oed 1
29 1 . . . . . 3.26 3.16 3.36 parsed_2oed 1
30 1 . . . . . 2.80 2.70 2.90 parsed_2oed 1
31 1 . . . . . 2.92 2.82 3.02 parsed_2oed 1
32 1 . . . . . 3.01 2.91 3.11 parsed_2oed 1
33 1 . . . . . 2.99 2.89 3.09 parsed_2oed 1
34 1 . . . . . 3.03 2.93 3.13 parsed_2oed 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
;
JNC-derived heavy atom distance restraints for backbone/backbone H-bonds
hbonds.dat
;
2 1 3 13 parsed_2oed 1
stop_
save_
Contact the webmaster for help, if required. Saturday, July 6, 2024 3:41:56 AM GMT (wattos1)