NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
36574 |
1ntt   |
5777 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 18 |
data_1ntt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ntt
_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_1ntt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ntt
_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 1ntt "Master copy" parsed_1ntt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ntt
_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 1ntt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ntt 1
1 1ntt.mr . . DISCOVER 2 distance "hydrogen bond" simple 18 parsed_1ntt 1
1 1ntt.mr . . DISCOVER 3 distance NOE simple 0 parsed_1ntt 1
1 1ntt.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ntt 1
1 1ntt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ntt 1
stop_
save_
save_Discover_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ntt
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1ntt 1
2 1 . . . parsed_1ntt 1
3 1 . . . parsed_1ntt 1
4 1 . . . parsed_1ntt 1
5 1 . . . parsed_1ntt 1
6 1 . . . parsed_1ntt 1
7 1 . . . parsed_1ntt 1
8 1 . . . parsed_1ntt 1
9 1 . . . parsed_1ntt 1
10 1 . . . parsed_1ntt 1
11 1 . . . parsed_1ntt 1
12 1 . . . parsed_1ntt 1
13 1 . . . parsed_1ntt 1
14 1 . . . parsed_1ntt 1
15 1 . . . parsed_1ntt 1
16 1 . . . parsed_1ntt 1
17 1 . . . parsed_1ntt 1
18 1 . . . parsed_1ntt 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 . . . . . . . . 1 3 A N1 parsed_1ntt 1
1 1 2 . . . . . . . . B 7 PU3' H3 parsed_1ntt 1
2 1 1 . . . . . . . . 1 3 A H61 parsed_1ntt 1
2 1 2 . . . . . . . . B 7 PU3' O4 parsed_1ntt 1
3 1 1 . . . . . . . . 1 4 A N1 parsed_1ntt 1
3 1 2 . . . . . . . . B 6 PU H3 parsed_1ntt 1
4 1 1 . . . . . . . . 1 4 A H61 parsed_1ntt 1
4 1 2 . . . . . . . . B 6 PU O4 parsed_1ntt 1
5 1 1 . . . . . . . . 1 5 G H1 parsed_1ntt 1
5 1 2 . . . . . . . . B 5 PC N3 parsed_1ntt 1
6 1 1 . . . . . . . . 1 5 G O6 parsed_1ntt 1
6 1 2 . . . . . . . . B 5 PC H42 parsed_1ntt 1
7 1 1 . . . . . . . . 1 5 G H22 parsed_1ntt 1
7 1 2 . . . . . . . . B 5 PC O2 parsed_1ntt 1
8 1 1 . . . . . . . . 1 6 G H1 parsed_1ntt 1
8 1 2 . . . . . . . . B 4 PC N3 parsed_1ntt 1
9 1 1 . . . . . . . . 1 6 G O6 parsed_1ntt 1
9 1 2 . . . . . . . . B 4 PC H42 parsed_1ntt 1
10 1 1 . . . . . . . . 1 6 G H22 parsed_1ntt 1
10 1 2 . . . . . . . . B 4 PC O2 parsed_1ntt 1
11 1 1 . . . . . . . . 1 7 A N1 parsed_1ntt 1
11 1 2 . . . . . . . . B 3 PU H3 parsed_1ntt 1
12 1 1 . . . . . . . . 1 7 A H61 parsed_1ntt 1
12 1 2 . . . . . . . . B 3 PU O4 parsed_1ntt 1
13 1 1 . . . . . . . . 1 8 G H1 parsed_1ntt 1
13 1 2 . . . . . . . . B 2 PC N3 parsed_1ntt 1
14 1 1 . . . . . . . . 1 8 G O6 parsed_1ntt 1
14 1 2 . . . . . . . . B 2 PC H42 parsed_1ntt 1
15 1 1 . . . . . . . . 1 8 G H22 parsed_1ntt 1
15 1 2 . . . . . . . . B 2 PC O2 parsed_1ntt 1
16 1 1 . . . . . . . . 1 9 G H1 parsed_1ntt 1
16 1 2 . . . . . . . . B 1 PC5' N3 parsed_1ntt 1
17 1 1 . . . . . . . . 1 9 G O6 parsed_1ntt 1
17 1 2 . . . . . . . . B 1 PC5' H42 parsed_1ntt 1
18 1 1 . . . . . . . . 1 9 G H22 parsed_1ntt 1
18 1 2 . . . . . . . . B 1 PC5' O2 parsed_1ntt 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 . . . . . . 1.800 2.500 parsed_1ntt 1
2 1 . . . . . . 1.800 2.500 parsed_1ntt 1
3 1 . . . . . . 1.800 2.500 parsed_1ntt 1
4 1 . . . . . . 1.800 2.500 parsed_1ntt 1
5 1 . . . . . . 1.800 2.500 parsed_1ntt 1
6 1 . . . . . . 1.800 2.500 parsed_1ntt 1
7 1 . . . . . . 1.800 2.500 parsed_1ntt 1
8 1 . . . . . . 1.800 2.500 parsed_1ntt 1
9 1 . . . . . . 1.800 2.500 parsed_1ntt 1
10 1 . . . . . . 1.800 2.500 parsed_1ntt 1
11 1 . . . . . . 1.800 2.500 parsed_1ntt 1
12 1 . . . . . . 1.800 2.500 parsed_1ntt 1
13 1 . . . . . . 1.800 2.500 parsed_1ntt 1
14 1 . . . . . . 1.800 2.500 parsed_1ntt 1
15 1 . . . . . . 1.800 2.500 parsed_1ntt 1
16 1 . . . . . . 1.800 2.500 parsed_1ntt 1
17 1 . . . . . . 1.800 2.500 parsed_1ntt 1
18 1 . . . . . . 1.800 2.500 parsed_1ntt 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
;
BIOSYM restraint 1
distance
Hydrogen bonding distances (based on Theoretical numbers and observed NOEs between
exchangeable protons on 1D and 2D NOESY spectra
;
1 1 8 1 parsed_1ntt 1
2 Hbond 9 90 9 95 parsed_1ntt 1
3 Hbond 10 90 10 95 parsed_1ntt 1
4 Hbond 11 90 11 95 parsed_1ntt 1
5 Hbond 12 90 12 95 parsed_1ntt 1
6 Hbond 13 90 13 95 parsed_1ntt 1
7 Hbond 14 90 14 95 parsed_1ntt 1
8 Hbond 15 90 15 95 parsed_1ntt 1
9 Hbond 16 90 16 95 parsed_1ntt 1
10 Hbond 17 90 17 95 parsed_1ntt 1
11 Hbond 18 90 18 95 parsed_1ntt 1
12 Hbond 19 90 19 95 parsed_1ntt 1
13 Hbond 20 90 20 95 parsed_1ntt 1
14 Hbond 21 90 21 95 parsed_1ntt 1
15 Hbond 22 90 22 95 parsed_1ntt 1
16 Hbond 23 90 23 95 parsed_1ntt 1
17 Hbond 24 90 24 95 parsed_1ntt 1
18 Hbond 25 90 25 95 parsed_1ntt 1
stop_
save_
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