NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
518959 |
2kmz   |
17237 | cing | 2-parsed | STAR | distance | NOE | simple | 45 |
data_2kmz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kmz
_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_2kmz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kmz
_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 2kmz "Master copy" parsed_2kmz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kmz
_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 2kmz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 2 distance NOE simple 78 parsed_2kmz 1
1 2kmz.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2kmz 1
1 2kmz.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 6 distance NOE simple 1 parsed_2kmz 1
1 2kmz.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 8 distance NOE simple 28 parsed_2kmz 1
1 2kmz.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 10 distance NOE simple 2 parsed_2kmz 1
1 2kmz.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 12 distance NOE simple 19 parsed_2kmz 1
1 2kmz.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2kmz 1
1 2kmz.mr . . XPLOR/CNS 14 distance NOE simple 45 parsed_2kmz 1
1 2kmz.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kmz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_14
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kmz
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 14
_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_2kmz 1
2 1 . . . parsed_2kmz 1
3 1 . . . parsed_2kmz 1
4 1 . . . parsed_2kmz 1
5 1 . . . parsed_2kmz 1
6 1 . . . parsed_2kmz 1
7 1 . . . parsed_2kmz 1
8 1 . . . parsed_2kmz 1
9 1 . . . parsed_2kmz 1
10 1 . . . parsed_2kmz 1
11 1 . . . parsed_2kmz 1
12 1 . . . parsed_2kmz 1
13 1 . . . parsed_2kmz 1
14 1 . . . parsed_2kmz 1
15 1 . . . parsed_2kmz 1
16 1 . . . parsed_2kmz 1
17 1 . . . parsed_2kmz 1
18 1 . . . parsed_2kmz 1
19 1 . . . parsed_2kmz 1
20 1 . . . parsed_2kmz 1
21 1 . . . parsed_2kmz 1
22 1 . . . parsed_2kmz 1
23 1 . . . parsed_2kmz 1
24 1 . . . parsed_2kmz 1
25 1 . . . parsed_2kmz 1
26 1 . . . parsed_2kmz 1
27 1 . . . parsed_2kmz 1
28 1 . . . parsed_2kmz 1
29 1 . . . parsed_2kmz 1
30 1 . . . parsed_2kmz 1
31 1 . . . parsed_2kmz 1
32 1 . . . parsed_2kmz 1
33 1 . . . parsed_2kmz 1
34 1 . . . parsed_2kmz 1
35 1 . . . parsed_2kmz 1
36 1 . . . parsed_2kmz 1
37 1 . . . parsed_2kmz 1
38 1 . . . parsed_2kmz 1
39 1 . . . parsed_2kmz 1
40 1 . . . parsed_2kmz 1
41 1 . . . parsed_2kmz 1
42 1 . . . parsed_2kmz 1
43 1 . . . parsed_2kmz 1
44 1 . . . parsed_2kmz 1
45 1 . . . parsed_2kmz 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 . . . . . . . . . 38 . hn parsed_2kmz 1
1 1 2 . . . . . . . . . 39 . hn parsed_2kmz 1
2 1 1 . . . . . . . . . 39 . hn parsed_2kmz 1
2 1 2 . . . . . . . . . 14 . hb# parsed_2kmz 1
3 1 1 . . . . . . . . . 39 . hn parsed_2kmz 1
3 1 2 . . . . . . . . . 36 . ha parsed_2kmz 1
4 1 1 . . . . . . . . . 39 . hn parsed_2kmz 1
4 1 2 . . . . . . . . . 37 . hn parsed_2kmz 1
5 1 1 . . . . . . . . . 39 . hn parsed_2kmz 1
5 1 2 . . . . . . . . . 38 . hd2# parsed_2kmz 1
6 1 1 . . . . . . . . . 39 . hn parsed_2kmz 1
6 1 2 . . . . . . . . . 39 . ha# parsed_2kmz 1
7 1 1 . . . . . . . . . 39 . hn parsed_2kmz 1
7 1 2 . . . . . . . . . 40 . hn parsed_2kmz 1
8 1 1 . . . . . . . . . 39 . ha# parsed_2kmz 1
8 1 2 . . . . . . . . . 40 . hn parsed_2kmz 1
9 1 1 . . . . . . . . . 40 . hn parsed_2kmz 1
9 1 2 . . . . . . . . . 14 . hb# parsed_2kmz 1
10 1 1 . . . . . . . . . 40 . hn parsed_2kmz 1
10 1 2 . . . . . . . . . 40 . ha parsed_2kmz 1
11 1 1 . . . . . . . . . 40 . hn parsed_2kmz 1
11 1 2 . . . . . . . . . 40 . hb# parsed_2kmz 1
12 1 1 . . . . . . . . . 40 . hn parsed_2kmz 1
12 1 2 . . . . . . . . . 41 . hb# parsed_2kmz 1
13 1 1 . . . . . . . . . 41 . hn parsed_2kmz 1
13 1 2 . . . . . . . . . 40 . hn parsed_2kmz 1
14 1 1 . . . . . . . . . 41 . hn parsed_2kmz 1
14 1 2 . . . . . . . . . 40 . ha parsed_2kmz 1
15 1 1 . . . . . . . . . 41 . hn parsed_2kmz 1
15 1 2 . . . . . . . . . 41 . ha parsed_2kmz 1
16 1 1 . . . . . . . . . 41 . hn parsed_2kmz 1
16 1 2 . . . . . . . . . 41 . hb# parsed_2kmz 1
17 1 1 . . . . . . . . . 43 . ha parsed_2kmz 1
17 1 2 . . . . . . . . . 44 . hd# parsed_2kmz 1
18 1 1 . . . . . . . . . 47 . ha parsed_2kmz 1
18 1 2 . . . . . . . . . 48 . hn parsed_2kmz 1
19 1 1 . . . . . . . . . 48 . hn parsed_2kmz 1
19 1 2 . . . . . . . . . 47 . ha parsed_2kmz 1
20 1 1 . . . . . . . . . 48 . hn parsed_2kmz 1
20 1 2 . . . . . . . . . 48 . hb# parsed_2kmz 1
21 1 1 . . . . . . . . . 48 . ha parsed_2kmz 1
21 1 2 . . . . . . . . . 48 . hd# parsed_2kmz 1
22 1 1 . . . . . . . . . 52 . hn parsed_2kmz 1
22 1 2 . . . . . . . . . 51 . ha parsed_2kmz 1
23 1 1 . . . . . . . . . 52 . hn parsed_2kmz 1
23 1 2 . . . . . . . . . 51 . hb# parsed_2kmz 1
24 1 1 . . . . . . . . . 52 . hn parsed_2kmz 1
24 1 2 . . . . . . . . . 52 . ha parsed_2kmz 1
25 1 1 . . . . . . . . . 52 . hn parsed_2kmz 1
25 1 2 . . . . . . . . . 52 . hb# parsed_2kmz 1
26 1 1 . . . . . . . . . 52 . ha parsed_2kmz 1
26 1 2 . . . . . . . . . 52 . he3 parsed_2kmz 1
27 1 1 . . . . . . . . . 58 . hn parsed_2kmz 1
27 1 2 . . . . . . . . . 58 . ha parsed_2kmz 1
28 1 1 . . . . . . . . . 58 . hn parsed_2kmz 1
28 1 2 . . . . . . . . . 58 . hb parsed_2kmz 1
29 1 1 . . . . . . . . . 58 . hn parsed_2kmz 1
29 1 2 . . . . . . . . . 58 . hg2# parsed_2kmz 1
30 1 1 . . . . . . . . . 59 . hn parsed_2kmz 1
30 1 2 . . . . . . . . . 58 . ha parsed_2kmz 1
31 1 1 . . . . . . . . . 59 . hn parsed_2kmz 1
31 1 2 . . . . . . . . . 59 . hb# parsed_2kmz 1
32 1 1 . . . . . . . . . 60 . hn parsed_2kmz 1
32 1 2 . . . . . . . . . 59 . ha parsed_2kmz 1
33 1 1 . . . . . . . . . 60 . hn parsed_2kmz 1
33 1 2 . . . . . . . . . 60 . ha parsed_2kmz 1
34 1 1 . . . . . . . . . 61 . hn parsed_2kmz 1
34 1 2 . . . . . . . . . 61 . ha parsed_2kmz 1
35 1 1 . . . . . . . . . 61 . hn parsed_2kmz 1
35 1 2 . . . . . . . . . 61 . hb# parsed_2kmz 1
36 1 1 . . . . . . . . . 61 . hn parsed_2kmz 1
36 1 2 . . . . . . . . . 61 . hg# parsed_2kmz 1
37 1 1 . . . . . . . . . 61 . hn parsed_2kmz 1
37 1 2 . . . . . . . . . 62 . hn parsed_2kmz 1
38 1 1 . . . . . . . . . 62 . hn parsed_2kmz 1
38 1 2 . . . . . . . . . 61 . ha parsed_2kmz 1
39 1 1 . . . . . . . . . 62 . hn parsed_2kmz 1
39 1 2 . . . . . . . . . 61 . hb# parsed_2kmz 1
40 1 1 . . . . . . . . . 62 . hn parsed_2kmz 1
40 1 2 . . . . . . . . . 62 . hb# parsed_2kmz 1
41 1 1 . . . . . . . . . 62 . hn parsed_2kmz 1
41 1 2 . . . . . . . . . 63 . hn parsed_2kmz 1
42 1 1 . . . . . . . . . 63 . hn parsed_2kmz 1
42 1 2 . . . . . . . . . 62 . ha parsed_2kmz 1
43 1 1 . . . . . . . . . 63 . hn parsed_2kmz 1
43 1 2 . . . . . . . . . 62 . hb# parsed_2kmz 1
44 1 1 . . . . . . . . . 63 . hn parsed_2kmz 1
44 1 2 . . . . . . . . . 63 . hd# parsed_2kmz 1
45 1 1 . . . . . . . . . 63 . hn parsed_2kmz 1
45 1 2 . . . . . . . . . 63 . ha parsed_2kmz 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 . . . . . 3 1.8 3.4 parsed_2kmz 1
2 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
3 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
4 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
5 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
6 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
7 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
8 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
9 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
10 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
11 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
12 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
13 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
14 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
15 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
16 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
17 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
18 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
19 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
20 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
21 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
22 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
23 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
24 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
25 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
26 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
27 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
28 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
29 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
30 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
31 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
32 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
33 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
34 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
35 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
36 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
37 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
38 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
39 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
40 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
41 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
42 1 . . . . . 3 1.8 3.4 parsed_2kmz 1
43 1 . . . . . 3.5 1.8 4.2 parsed_2kmz 1
44 1 . . . . . 2.4 1.8 2.8 parsed_2kmz 1
45 1 . . . . . 3 1.8 3.4 parsed_2kmz 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 Gly39 2 1 2 28 parsed_2kmz 1
2 "assign ( resid 39 and name hn) ( resid 38 and name ?) 2.4 0.6 0.4" 6 1 6 74 parsed_2kmz 1
3 "assign ( resid 39 and name hn) ( resid 39 and name ha1) 2.4 0.6 0.4" 8 1 8 76 parsed_2kmz 1
4
;
Cys40
assign ( resid 40 and name hn) ( resid 16 and name hb1) 3.5 1.7 0.7
assign ( resid 40 and name hn) ( resid 16 and name hb2) 3.5 1.7 0.7
;
12 1 14 76 parsed_2kmz 1
5
;
assign ( resid 40 and name hn) ( resid 39 and name hn) 2.4 0.6 0.4
assign ( resid 40 and name hn) ( resid 39 and name ha1) 3 1.2 0.4 2D}
assign ( resid 40 and name hn) ( resid 39 and name ha2) 3.5 1.7 0.7
assign ( resid 40 and name hn) ( resid 40 and name hb#) 2.4 0.6 0.4
;
16 1 19 76 parsed_2kmz 1
6 Ala41 23 1 23 28 parsed_2kmz 1
7 Ala43 28 1 28 28 parsed_2kmz 1
8 Pro47 30 1 30 28 parsed_2kmz 1
9 Phe48 32 1 32 28 parsed_2kmz 1
10
;
assign (resid 48 and name hb#) (resid 48 and name hd#) 2.4 0.6 1.4
assign (resid 48 and name hb#) (resid 48 and name hn) 2.4 0.6 0.4
Trp52
;
36 1 38 28 parsed_2kmz 1
11 "assign ( resid 52 and name hn) ( resid 52 and name hb2) 3.5 1.7 0.7" 43 1 43 76 parsed_2kmz 1
12 Ile58 45 1 45 28 parsed_2kmz 1
13
;
assign ( resid 58 and name hn) ( resid 58 and name hg22) 3.5 1.7 0.7
Ser59
;
49 1 50 28 parsed_2kmz 1
14 Glu60 53 1 53 29 parsed_2kmz 1
15 Glu61 56 1 56 29 parsed_2kmz 1
16 Asp62 61 1 61 28 parsed_2kmz 1
17 "assign ( resid 62 and name hn) ( resid 61 and name hn) 3.5 1.7 0.7" 64 1 64 75 parsed_2kmz 1
18 Leu63 67 1 67 28 parsed_2kmz 1
19 "assign ( resid 63 and name hn) ( resid 62 and name hn) 3 1.2 0.4" 69 1 69 73 parsed_2kmz 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 9:42:58 PM GMT (wattos1)