NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
564239 |
2ma1   |
19317 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 52 |
data_2ma1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ma1
_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_2ma1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ma1
_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 2ma1 "Master copy" parsed_2ma1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ma1
_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 2ma1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ma1 1
1 2ma1.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 52 parsed_2ma1 1
1 2ma1.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2ma1 1
1 2ma1.mr . . XPLOR/CNS 4 distance NOE ambi 0 parsed_2ma1 1
1 2ma1.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ma1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ma1
_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_2ma1 1
2 1 . . . parsed_2ma1 1
3 1 . . . parsed_2ma1 1
4 1 . . . parsed_2ma1 1
5 1 . . . parsed_2ma1 1
6 1 . . . parsed_2ma1 1
7 1 . . . parsed_2ma1 1
8 1 . . . parsed_2ma1 1
9 1 . . . parsed_2ma1 1
10 1 . . . parsed_2ma1 1
11 1 . . . parsed_2ma1 1
12 1 . . . parsed_2ma1 1
13 1 . . . parsed_2ma1 1
14 1 . . . parsed_2ma1 1
15 1 . . . parsed_2ma1 1
16 1 . . . parsed_2ma1 1
17 1 . . . parsed_2ma1 1
18 1 . . . parsed_2ma1 1
19 1 . . . parsed_2ma1 1
20 1 . . . parsed_2ma1 1
21 1 . . . parsed_2ma1 1
22 1 . . . parsed_2ma1 1
23 1 . . . parsed_2ma1 1
24 1 . . . parsed_2ma1 1
25 1 . . . parsed_2ma1 1
26 1 . . . parsed_2ma1 1
27 1 . . . parsed_2ma1 1
28 1 . . . parsed_2ma1 1
29 1 . . . parsed_2ma1 1
30 1 . . . parsed_2ma1 1
31 1 . . . parsed_2ma1 1
32 1 . . . parsed_2ma1 1
33 1 . . . parsed_2ma1 1
34 1 . . . parsed_2ma1 1
35 1 . . . parsed_2ma1 1
36 1 . . . parsed_2ma1 1
37 1 . . . parsed_2ma1 1
38 1 . . . parsed_2ma1 1
39 1 . . . parsed_2ma1 1
40 1 . . . parsed_2ma1 1
41 1 . . . parsed_2ma1 1
42 1 . . . parsed_2ma1 1
43 1 . . . parsed_2ma1 1
44 1 . . . parsed_2ma1 1
45 1 . . . parsed_2ma1 1
46 1 . . . parsed_2ma1 1
47 1 . . . parsed_2ma1 1
48 1 . . . parsed_2ma1 1
49 1 . . . parsed_2ma1 1
50 1 . . . parsed_2ma1 1
51 1 . . . parsed_2ma1 1
52 1 . . . parsed_2ma1 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 . . . . . . . . . 544 . hn parsed_2ma1 1
1 1 2 . . . . . . . . . 540 . o parsed_2ma1 1
2 1 1 . . . . . . . . . 544 . n parsed_2ma1 1
2 1 2 . . . . . . . . . 540 . o parsed_2ma1 1
3 1 1 . . . . . . . . . 545 . hn parsed_2ma1 1
3 1 2 . . . . . . . . . 541 . o parsed_2ma1 1
4 1 1 . . . . . . . . . 545 . n parsed_2ma1 1
4 1 2 . . . . . . . . . 541 . o parsed_2ma1 1
5 1 1 . . . . . . . . . 546 . hn parsed_2ma1 1
5 1 2 . . . . . . . . . 542 . o parsed_2ma1 1
6 1 1 . . . . . . . . . 546 . n parsed_2ma1 1
6 1 2 . . . . . . . . . 542 . o parsed_2ma1 1
7 1 1 . . . . . . . . . 547 . hn parsed_2ma1 1
7 1 2 . . . . . . . . . 543 . o parsed_2ma1 1
8 1 1 . . . . . . . . . 547 . n parsed_2ma1 1
8 1 2 . . . . . . . . . 543 . o parsed_2ma1 1
9 1 1 . . . . . . . . . 548 . hn parsed_2ma1 1
9 1 2 . . . . . . . . . 544 . o parsed_2ma1 1
10 1 1 . . . . . . . . . 548 . n parsed_2ma1 1
10 1 2 . . . . . . . . . 544 . o parsed_2ma1 1
11 1 1 . . . . . . . . . 549 . hn parsed_2ma1 1
11 1 2 . . . . . . . . . 545 . o parsed_2ma1 1
12 1 1 . . . . . . . . . 549 . n parsed_2ma1 1
12 1 2 . . . . . . . . . 545 . o parsed_2ma1 1
13 1 1 . . . . . . . . . 550 . hn parsed_2ma1 1
13 1 2 . . . . . . . . . 546 . o parsed_2ma1 1
14 1 1 . . . . . . . . . 550 . n parsed_2ma1 1
14 1 2 . . . . . . . . . 546 . o parsed_2ma1 1
15 1 1 . . . . . . . . . 551 . hn parsed_2ma1 1
15 1 2 . . . . . . . . . 547 . o parsed_2ma1 1
16 1 1 . . . . . . . . . 551 . n parsed_2ma1 1
16 1 2 . . . . . . . . . 547 . o parsed_2ma1 1
17 1 1 . . . . . . . . . 552 . hn parsed_2ma1 1
17 1 2 . . . . . . . . . 548 . o parsed_2ma1 1
18 1 1 . . . . . . . . . 552 . n parsed_2ma1 1
18 1 2 . . . . . . . . . 548 . o parsed_2ma1 1
19 1 1 . . . . . . . . . 553 . hn parsed_2ma1 1
19 1 2 . . . . . . . . . 549 . o parsed_2ma1 1
20 1 1 . . . . . . . . . 553 . n parsed_2ma1 1
20 1 2 . . . . . . . . . 549 . o parsed_2ma1 1
21 1 1 . . . . . . . . . 554 . hn parsed_2ma1 1
21 1 2 . . . . . . . . . 550 . o parsed_2ma1 1
22 1 1 . . . . . . . . . 554 . n parsed_2ma1 1
22 1 2 . . . . . . . . . 550 . o parsed_2ma1 1
23 1 1 . . . . . . . . . 555 . hn parsed_2ma1 1
23 1 2 . . . . . . . . . 551 . o parsed_2ma1 1
24 1 1 . . . . . . . . . 555 . n parsed_2ma1 1
24 1 2 . . . . . . . . . 551 . o parsed_2ma1 1
25 1 1 . . . . . . . . . 561 . hn parsed_2ma1 1
25 1 2 . . . . . . . . . 558 . o parsed_2ma1 1
26 1 1 . . . . . . . . . 561 . n parsed_2ma1 1
26 1 2 . . . . . . . . . 558 . o parsed_2ma1 1
27 1 1 . . . . . . . . . 562 . hn parsed_2ma1 1
27 1 2 . . . . . . . . . 559 . o parsed_2ma1 1
28 1 1 . . . . . . . . . 562 . n parsed_2ma1 1
28 1 2 . . . . . . . . . 559 . o parsed_2ma1 1
29 1 1 . . . . . . . . . 569 . hn parsed_2ma1 1
29 1 2 . . . . . . . . . 565 . o parsed_2ma1 1
30 1 1 . . . . . . . . . 569 . n parsed_2ma1 1
30 1 2 . . . . . . . . . 565 . o parsed_2ma1 1
31 1 1 . . . . . . . . . 570 . hn parsed_2ma1 1
31 1 2 . . . . . . . . . 566 . o parsed_2ma1 1
32 1 1 . . . . . . . . . 570 . n parsed_2ma1 1
32 1 2 . . . . . . . . . 566 . o parsed_2ma1 1
33 1 1 . . . . . . . . . 571 . hn parsed_2ma1 1
33 1 2 . . . . . . . . . 567 . o parsed_2ma1 1
34 1 1 . . . . . . . . . 571 . n parsed_2ma1 1
34 1 2 . . . . . . . . . 567 . o parsed_2ma1 1
35 1 1 . . . . . . . . . 572 . hn parsed_2ma1 1
35 1 2 . . . . . . . . . 568 . o parsed_2ma1 1
36 1 1 . . . . . . . . . 572 . n parsed_2ma1 1
36 1 2 . . . . . . . . . 568 . o parsed_2ma1 1
37 1 1 . . . . . . . . . 573 . hn parsed_2ma1 1
37 1 2 . . . . . . . . . 569 . o parsed_2ma1 1
38 1 1 . . . . . . . . . 573 . n parsed_2ma1 1
38 1 2 . . . . . . . . . 569 . o parsed_2ma1 1
39 1 1 . . . . . . . . . 582 . hn parsed_2ma1 1
39 1 2 . . . . . . . . . 578 . o parsed_2ma1 1
40 1 1 . . . . . . . . . 582 . n parsed_2ma1 1
40 1 2 . . . . . . . . . 578 . o parsed_2ma1 1
41 1 1 . . . . . . . . . 595 . hn parsed_2ma1 1
41 1 2 . . . . . . . . . 591 . o parsed_2ma1 1
42 1 1 . . . . . . . . . 595 . n parsed_2ma1 1
42 1 2 . . . . . . . . . 591 . o parsed_2ma1 1
43 1 1 . . . . . . . . . 602 . hn parsed_2ma1 1
43 1 2 . . . . . . . . . 598 . o parsed_2ma1 1
44 1 1 . . . . . . . . . 602 . n parsed_2ma1 1
44 1 2 . . . . . . . . . 598 . o parsed_2ma1 1
45 1 1 . . . . . . . . . 603 . hn parsed_2ma1 1
45 1 2 . . . . . . . . . 599 . o parsed_2ma1 1
46 1 1 . . . . . . . . . 603 . n parsed_2ma1 1
46 1 2 . . . . . . . . . 599 . o parsed_2ma1 1
47 1 1 . . . . . . . . . 604 . hn parsed_2ma1 1
47 1 2 . . . . . . . . . 600 . o parsed_2ma1 1
48 1 1 . . . . . . . . . 604 . n parsed_2ma1 1
48 1 2 . . . . . . . . . 600 . o parsed_2ma1 1
49 1 1 . . . . . . . . . 605 . hn parsed_2ma1 1
49 1 2 . . . . . . . . . 601 . o parsed_2ma1 1
50 1 1 . . . . . . . . . 605 . n parsed_2ma1 1
50 1 2 . . . . . . . . . 601 . o parsed_2ma1 1
51 1 1 . . . . . . . . . 606 . hn parsed_2ma1 1
51 1 2 . . . . . . . . . 602 . o parsed_2ma1 1
52 1 1 . . . . . . . . . 606 . n parsed_2ma1 1
52 1 2 . . . . . . . . . 602 . o parsed_2ma1 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 1.6 2.5 parsed_2ma1 1
2 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
3 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
4 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
5 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
6 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
7 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
8 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
9 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
10 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
11 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
12 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
13 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
14 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
15 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
16 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
17 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
18 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
19 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
20 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
21 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
22 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
23 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
24 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
25 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
26 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
27 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
28 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
29 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
30 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
31 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
32 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
33 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
34 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
35 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
36 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
37 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
38 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
39 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
40 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
41 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
42 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
43 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
44 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
45 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
46 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
47 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
48 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
49 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
50 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 1
51 1 . . . . . 2.0 1.6 2.5 parsed_2ma1 1
52 1 . . . . . 3.0 2.2 3.5 parsed_2ma1 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
;
E 542
assign (resid 542 and name hn) (resid 538 and name o) 2.0 0.4 0.5
assign (resid 542 and name n) (resid 538 and name o) 3.0 0.8 0.5
A 543
assign (resid 543 and name hn) (resid 539 and name o) 2.0 0.4 0.5
assign (resid 543 and name n) (resid 539 and name o) 3.0 0.8 0.5
L 544
;
1 1 9 7 parsed_2ma1 1
2 "R 545" 13 1 13 7 parsed_2ma1 1
3 "A 546" 17 1 17 7 parsed_2ma1 1
4 "W 547" 21 1 21 7 parsed_2ma1 1
5 "R 548" 25 1 25 7 parsed_2ma1 1
6 "L 549" 29 1 29 7 parsed_2ma1 1
7 "Q 550" 33 1 33 7 parsed_2ma1 1
8 "K 551" 37 1 37 7 parsed_2ma1 1
9 "A 552" 41 1 41 7 parsed_2ma1 1
10 "K 553" 45 1 45 7 parsed_2ma1 1
11 "E 554" 49 1 49 7 parsed_2ma1 1
12 "L 555" 53 1 53 7 parsed_2ma1 1
13 T561 59 1 59 7 parsed_2ma1 1
14 "I 562" 64 1 64 7 parsed_2ma1 1
15 "K 569" 73 1 73 7 parsed_2ma1 1
16 "T 570" 77 1 77 7 parsed_2ma1 1
17 "I 571" 81 1 81 7 parsed_2ma1 1
18 "A 572" 85 1 85 7 parsed_2ma1 1
19 "E 573" 89 1 89 7 parsed_2ma1 1
20 "L 582" 100 1 100 7 parsed_2ma1 1
21
;
G 583
assign (resid 583 and name hn) (resid 579 and name o) 2.0 0.4 0.5
assign (resid 583 and name n) (resid 579 and name o) 3.0 0.8 0.5
T 584
assign (resid 584 and name hn) (resid 580 and name o) 2.0 0.4 0.5
assign (resid 584 and name n) (resid 580 and name o) 3.0 0.8 0.5
A 594
assign (resid 594 and name hn) (resid 590 and name o) 2.0 0.4 0.5
assign (resid 594 and name n) (resid 590 and name o) 3.0 0.8 0.5
A 595
;
105 1 126 7 parsed_2ma1 1
22
;
Y 596
assign (resid 596 and name hn) (resid 592 and name o) 2.0 0.4 0.5
assign (resid 596 and name n) (resid 592 and name o) 3.0 0.8 0.5
G 597
assign (resid 597 and name hn) (resid 593 and name o) 2.0 0.4 0.5
assign (resid 597 and name n) (resid 593 and name o) 3.0 0.8 0.5
D 598
assign (resid 598 and name hn) (resid 594 and name o) 2.0 0.4 0.5
assign (resid 598 and name n) (resid 594 and name o) 3.0 0.8 0.5
E 599
assign (resid 599 and name hn) (resid 595 and name o) 2.0 0.4 0.5
assign (resid 599 and name n) (resid 595 and name o) 3.0 0.8 0.5
V 600
assign (resid 600 and name hn) (resid 596 and name o) 2.0 0.4 0.5
assign (resid 600 and name n) (resid 596 and name o) 3.0 0.8 0.5
L 601
assign (resid 601 and name hn) (resid 597 and name o) 2.0 0.4 0.5
assign (resid 601 and name n) (resid 597 and name o) 3.0 0.8 0.5
Q 602
;
132 1 174 7 parsed_2ma1 1
23 "V 603" 178 1 178 7 parsed_2ma1 1
24 "V 604" 182 1 182 7 parsed_2ma1 1
25 "R 605" 186 1 186 7 parsed_2ma1 1
26 "D 606" 190 1 190 7 parsed_2ma1 1
stop_
save_
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