NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
540485 |
2leo   |
17719 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 26 |
data_2leo_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2leo
_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_2leo 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2leo
_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 2leo "Master copy" parsed_2leo
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2leo
_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 2leo.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 2 distance NOE simple 824 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 3 distance NOE ambi 86 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 4 distance NOE simple 1288 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 5 distance NOE ambi 146 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 6 distance NOE simple 82 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 7 distance NOE ambi 8 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 26 parsed_2leo 1
1 2leo.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2leo 1
1 2leo.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2leo 1
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2leo
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_2leo 1
2 1 . . . parsed_2leo 1
3 1 . . . parsed_2leo 1
4 1 . . . parsed_2leo 1
5 1 . . . parsed_2leo 1
6 1 . . . parsed_2leo 1
7 1 . . . parsed_2leo 1
8 1 . . . parsed_2leo 1
9 1 . . . parsed_2leo 1
10 1 . . . parsed_2leo 1
11 1 . . . parsed_2leo 1
12 1 . . . parsed_2leo 1
13 1 . . . parsed_2leo 1
14 1 . . . parsed_2leo 1
15 1 . . . parsed_2leo 1
16 1 . . . parsed_2leo 1
17 1 . . . parsed_2leo 1
18 1 . . . parsed_2leo 1
19 1 . . . parsed_2leo 1
20 1 . . . parsed_2leo 1
21 1 . . . parsed_2leo 1
22 1 . . . parsed_2leo 1
23 1 . . . parsed_2leo 1
24 1 . . . parsed_2leo 1
25 1 . . . parsed_2leo 1
26 1 . . . parsed_2leo 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 . . . . . . . . . 32 . o parsed_2leo 1
1 1 2 . . . . . . . . . 36 . hn parsed_2leo 1
2 1 1 . . . . . . . . . 32 . o parsed_2leo 1
2 1 2 . . . . . . . . . 36 . n parsed_2leo 1
3 1 1 . . . . . . . . . 64 . o parsed_2leo 1
3 1 2 . . . . . . . . . 68 . hn parsed_2leo 1
4 1 1 . . . . . . . . . 64 . o parsed_2leo 1
4 1 2 . . . . . . . . . 68 . n parsed_2leo 1
5 1 1 . . . . . . . . . 65 . o parsed_2leo 1
5 1 2 . . . . . . . . . 69 . hn parsed_2leo 1
6 1 1 . . . . . . . . . 65 . o parsed_2leo 1
6 1 2 . . . . . . . . . 69 . n parsed_2leo 1
7 1 1 . . . . . . . . . 66 . o parsed_2leo 1
7 1 2 . . . . . . . . . 70 . hn parsed_2leo 1
8 1 1 . . . . . . . . . 66 . o parsed_2leo 1
8 1 2 . . . . . . . . . 70 . n parsed_2leo 1
9 1 1 . . . . . . . . . 67 . o parsed_2leo 1
9 1 2 . . . . . . . . . 71 . hn parsed_2leo 1
10 1 1 . . . . . . . . . 67 . o parsed_2leo 1
10 1 2 . . . . . . . . . 71 . n parsed_2leo 1
11 1 1 . . . . . . . . . 68 . o parsed_2leo 1
11 1 2 . . . . . . . . . 72 . hn parsed_2leo 1
12 1 1 . . . . . . . . . 68 . o parsed_2leo 1
12 1 2 . . . . . . . . . 72 . n parsed_2leo 1
13 1 1 . . . . . . . . . 69 . o parsed_2leo 1
13 1 2 . . . . . . . . . 73 . hn parsed_2leo 1
14 1 1 . . . . . . . . . 69 . o parsed_2leo 1
14 1 2 . . . . . . . . . 73 . n parsed_2leo 1
15 1 1 . . . . . . . . . 60 . o parsed_2leo 1
15 1 2 . . . . . . . . . 52 . hn parsed_2leo 1
16 1 1 . . . . . . . . . 60 . o parsed_2leo 1
16 1 2 . . . . . . . . . 52 . n parsed_2leo 1
17 1 1 . . . . . . . . . 52 . o parsed_2leo 1
17 1 2 . . . . . . . . . 60 . hn parsed_2leo 1
18 1 1 . . . . . . . . . 52 . o parsed_2leo 1
18 1 2 . . . . . . . . . 60 . n parsed_2leo 1
19 1 1 . . . . . . . . . 58 . o parsed_2leo 1
19 1 2 . . . . . . . . . 54 . hn parsed_2leo 1
20 1 1 . . . . . . . . . 58 . o parsed_2leo 1
20 1 2 . . . . . . . . . 54 . n parsed_2leo 1
21 1 1 . . . . . . . . . 81 . o parsed_2leo 1
21 1 2 . . . . . . . . . 53 . hn parsed_2leo 1
22 1 1 . . . . . . . . . 81 . o parsed_2leo 1
22 1 2 . . . . . . . . . 53 . n parsed_2leo 1
23 1 1 . . . . . . . . . 53 . o parsed_2leo 1
23 1 2 . . . . . . . . . 81 . hn parsed_2leo 1
24 1 1 . . . . . . . . . 53 . o parsed_2leo 1
24 1 2 . . . . . . . . . 81 . n parsed_2leo 1
25 1 1 . . . . . . . . . 51 . o parsed_2leo 1
25 1 2 . . . . . . . . . 83 . hn parsed_2leo 1
26 1 1 . . . . . . . . . 51 . o parsed_2leo 1
26 1 2 . . . . . . . . . 83 . n parsed_2leo 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 . . . . . 2.0 1.5 2.5 parsed_2leo 1
2 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
3 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
4 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
5 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
6 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
7 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
8 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
9 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
10 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
11 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
12 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
13 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
14 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
15 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
16 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
17 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
18 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
19 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
20 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
21 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
22 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
23 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
24 1 . . . . . 3.0 2.5 3.5 parsed_2leo 1
25 1 . . . . . 2.0 1.5 2.5 parsed_2leo 1
26 1 . . . . . 3.0 2.5 3.5 parsed_2leo 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 alpha1 1 1 1 8 parsed_2leo 1
2 hbond 2 68 2 74 parsed_2leo 1
3
;
hbond
alpha2
;
3 67 5 8 parsed_2leo 1
4 hbond 6 68 6 74 parsed_2leo 1
5 hbond 7 67 7 73 parsed_2leo 1
6 hbond 8 68 8 74 parsed_2leo 1
7 hbond 9 67 9 73 parsed_2leo 1
8 hbond 10 68 10 74 parsed_2leo 1
9 hbond 11 67 11 73 parsed_2leo 1
10 hbond 12 68 12 74 parsed_2leo 1
11 hbond 13 67 13 73 parsed_2leo 1
12 hbond 14 68 14 74 parsed_2leo 1
13 hbond 15 67 15 73 parsed_2leo 1
14 hbond 16 68 16 74 parsed_2leo 1
15
;
hbond
beta1-beta2
;
17 67 19 13 parsed_2leo 1
16 hbond 20 68 20 74 parsed_2leo 1
17 hbond 21 67 21 73 parsed_2leo 1
18 hbond 22 68 22 74 parsed_2leo 1
19 hbond 23 67 23 73 parsed_2leo 1
20 hbond 24 68 24 74 parsed_2leo 1
21
;
hbond
beta1-beta3
;
25 67 27 13 parsed_2leo 1
22 hbond 28 68 28 74 parsed_2leo 1
23 hbond 29 67 29 73 parsed_2leo 1
24 hbond 30 68 30 74 parsed_2leo 1
25 hbond 31 67 31 73 parsed_2leo 1
26 hbond 32 68 32 74 parsed_2leo 1
27 hbond 33 67 33 73 parsed_2leo 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:05:03 PM GMT (wattos1)