NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
32655 |
1ghk   |
cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 30 |
data_1ghk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ghk
_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_1ghk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ghk
_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 1ghk "Master copy" parsed_1ghk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ghk
_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 1ghk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ghk 1
1 1ghk.mr . . XPLOR/CNS 2 distance NOE simple 550 parsed_1ghk 1
1 1ghk.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 30 parsed_1ghk 1
1 1ghk.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1ghk 1
1 1ghk.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ghk 1
1 1ghk.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1ghk 1
1 1ghk.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ghk 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ghk
_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_1ghk 1
2 1 . . . parsed_1ghk 1
3 1 . . . parsed_1ghk 1
4 1 . . . parsed_1ghk 1
5 1 . . . parsed_1ghk 1
6 1 . . . parsed_1ghk 1
7 1 . . . parsed_1ghk 1
8 1 . . . parsed_1ghk 1
9 1 . . . parsed_1ghk 1
10 1 . . . parsed_1ghk 1
11 1 . . . parsed_1ghk 1
12 1 . . . parsed_1ghk 1
13 1 . . . parsed_1ghk 1
14 1 . . . parsed_1ghk 1
15 1 . . . parsed_1ghk 1
16 1 . . . parsed_1ghk 1
17 1 . . . parsed_1ghk 1
18 1 . . . parsed_1ghk 1
19 1 . . . parsed_1ghk 1
20 1 . . . parsed_1ghk 1
21 1 . . . parsed_1ghk 1
22 1 . . . parsed_1ghk 1
23 1 . . . parsed_1ghk 1
24 1 . . . parsed_1ghk 1
25 1 . . . parsed_1ghk 1
26 1 . . . parsed_1ghk 1
27 1 . . . parsed_1ghk 1
28 1 . . . parsed_1ghk 1
29 1 . . . parsed_1ghk 1
30 1 . . . parsed_1ghk 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 . . . . . . . . . 72 . N parsed_1ghk 1
1 1 2 . . . . . . . . . 4 . O parsed_1ghk 1
2 1 1 . . . . . . . . . 72 . HN parsed_1ghk 1
2 1 2 . . . . . . . . . 4 . O parsed_1ghk 1
3 1 1 . . . . . . . . . 66 . N parsed_1ghk 1
3 1 2 . . . . . . . . . 16 . O parsed_1ghk 1
4 1 1 . . . . . . . . . 66 . HN parsed_1ghk 1
4 1 2 . . . . . . . . . 16 . O parsed_1ghk 1
5 1 1 . . . . . . . . . 19 . N parsed_1ghk 1
5 1 2 . . . . . . . . . 37 . O parsed_1ghk 1
6 1 1 . . . . . . . . . 19 . HN parsed_1ghk 1
6 1 2 . . . . . . . . . 37 . O parsed_1ghk 1
7 1 1 . . . . . . . . . 35 . N parsed_1ghk 1
7 1 2 . . . . . . . . . 47 . O parsed_1ghk 1
8 1 1 . . . . . . . . . 35 . HN parsed_1ghk 1
8 1 2 . . . . . . . . . 47 . O parsed_1ghk 1
9 1 1 . . . . . . . . . 36 . N parsed_1ghk 1
9 1 2 . . . . . . . . . 47 . O parsed_1ghk 1
10 1 1 . . . . . . . . . 36 . HN parsed_1ghk 1
10 1 2 . . . . . . . . . 47 . O parsed_1ghk 1
11 1 1 . . . . . . . . . 47 . N parsed_1ghk 1
11 1 2 . . . . . . . . . 36 . O parsed_1ghk 1
12 1 1 . . . . . . . . . 47 . HN parsed_1ghk 1
12 1 2 . . . . . . . . . 36 . O parsed_1ghk 1
13 1 1 . . . . . . . . . 39 . N parsed_1ghk 1
13 1 2 . . . . . . . . . 17 . O parsed_1ghk 1
14 1 1 . . . . . . . . . 39 . HN parsed_1ghk 1
14 1 2 . . . . . . . . . 17 . O parsed_1ghk 1
15 1 1 . . . . . . . . . 38 . N parsed_1ghk 1
15 1 2 . . . . . . . . . 45 . O parsed_1ghk 1
16 1 1 . . . . . . . . . 38 . HN parsed_1ghk 1
16 1 2 . . . . . . . . . 45 . O parsed_1ghk 1
17 1 1 . . . . . . . . . 76 . N parsed_1ghk 1
17 1 2 . . . . . . . . . 54 . O parsed_1ghk 1
18 1 1 . . . . . . . . . 76 . HN parsed_1ghk 1
18 1 2 . . . . . . . . . 54 . O parsed_1ghk 1
19 1 1 . . . . . . . . . 45 . N parsed_1ghk 1
19 1 2 . . . . . . . . . 38 . O parsed_1ghk 1
20 1 1 . . . . . . . . . 45 . HN parsed_1ghk 1
20 1 2 . . . . . . . . . 38 . O parsed_1ghk 1
21 1 1 . . . . . . . . . 4 . N parsed_1ghk 1
21 1 2 . . . . . . . . . 73 . O parsed_1ghk 1
22 1 1 . . . . . . . . . 4 . HN parsed_1ghk 1
22 1 2 . . . . . . . . . 73 . O parsed_1ghk 1
23 1 1 . . . . . . . . . 6 . N parsed_1ghk 1
23 1 2 . . . . . . . . . 70 . O parsed_1ghk 1
24 1 1 . . . . . . . . . 6 . HN parsed_1ghk 1
24 1 2 . . . . . . . . . 70 . O parsed_1ghk 1
25 1 1 . . . . . . . . . 59 . N parsed_1ghk 1
25 1 2 . . . . . . . . . 72 . O parsed_1ghk 1
26 1 1 . . . . . . . . . 59 . HN parsed_1ghk 1
26 1 2 . . . . . . . . . 72 . O parsed_1ghk 1
27 1 1 . . . . . . . . . 18 . N parsed_1ghk 1
27 1 2 . . . . . . . . . 64 . O parsed_1ghk 1
28 1 1 . . . . . . . . . 18 . HN parsed_1ghk 1
28 1 2 . . . . . . . . . 64 . O parsed_1ghk 1
29 1 1 . . . . . . . . . 75 . N parsed_1ghk 1
29 1 2 . . . . . . . . . 2 . O parsed_1ghk 1
30 1 1 . . . . . . . . . 75 . HN parsed_1ghk 1
30 1 2 . . . . . . . . . 2 . O parsed_1ghk 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 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
2 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
3 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
4 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
5 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
6 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
7 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
8 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
9 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
10 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
11 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
12 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
13 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
14 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
15 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
16 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
17 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
18 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
19 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
20 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
21 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
22 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
23 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
24 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
25 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
26 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
27 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
28 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 1
29 1 . . . . . 2.9 2.5 3.3 parsed_1ghk 1
30 1 . . . . . 1.9 1.5 2.3 parsed_1ghk 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
;
!H-BOND CONSTRAINTS
!H-bond between 72 HN and 4 CO
;
1 1 3 32 parsed_1ghk 1
2 "!H-bond between 66 HN and 16 CO" 7 1 7 33 parsed_1ghk 1
3 "!H-bond between 19 HN and 37 CO" 11 1 11 33 parsed_1ghk 1
4 "!H-bond between 35 HN and 47 CO" 15 1 15 33 parsed_1ghk 1
5 "!H-bond between 36 HN and 47 CO" 19 1 19 33 parsed_1ghk 1
6 "!H-bond between 47 HN and 36 CO" 23 1 23 33 parsed_1ghk 1
7 "!H-bond between 39 HN and 17 CO" 27 1 27 33 parsed_1ghk 1
8 "!H-bond between 38 HN and 45 CO" 31 1 31 33 parsed_1ghk 1
9 "!H-bond between 76 HN and 54 CO" 35 1 35 33 parsed_1ghk 1
10 "!H-bond between 45 HN and 38 CO" 39 1 39 33 parsed_1ghk 1
11 "!H-bond between 4 HN and 73 CO" 43 1 43 32 parsed_1ghk 1
12 "!H-bond between 6 HN and 70 CO" 47 1 47 32 parsed_1ghk 1
13 "!H-bond between 59 HN and 72 CO" 51 1 51 33 parsed_1ghk 1
14 "!H-bond between 18 HN and 64 CO" 55 1 55 33 parsed_1ghk 1
15 "!H-bond between 75 HN and 2 CO" 59 1 59 32 parsed_1ghk 1
stop_
save_
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