NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
465931 |
2rqg   |
10019 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 62 |
data_2rqg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rqg
_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_2rqg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rqg
_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 2rqg "Master copy" parsed_2rqg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rqg
_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 2rqg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rqg 1
1 2rqg.mr . . DYANA/DIANA 2 distance NOE simple 1545 parsed_2rqg 1
1 2rqg.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 62 parsed_2rqg 1
1 2rqg.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2rqg 1
1 2rqg.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rqg 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2rqg
_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_2rqg 1
2 1 . . . parsed_2rqg 1
3 1 . . . parsed_2rqg 1
4 1 . . . parsed_2rqg 1
5 1 . . . parsed_2rqg 1
6 1 . . . parsed_2rqg 1
7 1 . . . parsed_2rqg 1
8 1 . . . parsed_2rqg 1
9 1 . . . parsed_2rqg 1
10 1 . . . parsed_2rqg 1
11 1 . . . parsed_2rqg 1
12 1 . . . parsed_2rqg 1
13 1 . . . parsed_2rqg 1
14 1 . . . parsed_2rqg 1
15 1 . . . parsed_2rqg 1
16 1 . . . parsed_2rqg 1
17 1 . . . parsed_2rqg 1
18 1 . . . parsed_2rqg 1
19 1 . . . parsed_2rqg 1
20 1 . . . parsed_2rqg 1
21 1 . . . parsed_2rqg 1
22 1 . . . parsed_2rqg 1
23 1 . . . parsed_2rqg 1
24 1 . . . parsed_2rqg 1
25 1 . . . parsed_2rqg 1
26 1 . . . parsed_2rqg 1
27 1 . . . parsed_2rqg 1
28 1 . . . parsed_2rqg 1
29 1 . . . parsed_2rqg 1
30 1 . . . parsed_2rqg 1
31 1 . . . parsed_2rqg 1
32 1 . . . parsed_2rqg 1
33 1 . . . parsed_2rqg 1
34 1 . . . parsed_2rqg 1
35 1 . . . parsed_2rqg 1
36 1 . . . parsed_2rqg 1
37 1 . . . parsed_2rqg 1
38 1 . . . parsed_2rqg 1
39 1 . . . parsed_2rqg 1
40 1 . . . parsed_2rqg 1
41 1 . . . parsed_2rqg 1
42 1 . . . parsed_2rqg 1
43 1 . . . parsed_2rqg 1
44 1 . . . parsed_2rqg 1
45 1 . . . parsed_2rqg 1
46 1 . . . parsed_2rqg 1
47 1 . . . parsed_2rqg 1
48 1 . . . parsed_2rqg 1
49 1 . . . parsed_2rqg 1
50 1 . . . parsed_2rqg 1
51 1 . . . parsed_2rqg 1
52 1 . . . parsed_2rqg 1
53 1 . . . parsed_2rqg 1
54 1 . . . parsed_2rqg 1
55 1 . . . parsed_2rqg 1
56 1 . . . parsed_2rqg 1
57 1 . . . parsed_2rqg 1
58 1 . . . parsed_2rqg 1
59 1 . . . parsed_2rqg 1
60 1 . . . parsed_2rqg 1
61 1 . . . parsed_2rqg 1
62 1 . . . parsed_2rqg 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 . . . . . . . . . 558 GLN O parsed_2rqg 1
1 1 2 . . . . . . . . . 562 LEU H parsed_2rqg 1
2 1 1 . . . . . . . . . 558 GLN O parsed_2rqg 1
2 1 2 . . . . . . . . . 562 LEU N parsed_2rqg 1
3 1 1 . . . . . . . . . 559 LYS O parsed_2rqg 1
3 1 2 . . . . . . . . . 563 GLY H parsed_2rqg 1
4 1 1 . . . . . . . . . 559 LYS O parsed_2rqg 1
4 1 2 . . . . . . . . . 563 GLY N parsed_2rqg 1
5 1 1 . . . . . . . . . 560 GLN O parsed_2rqg 1
5 1 2 . . . . . . . . . 564 GLU H parsed_2rqg 1
6 1 1 . . . . . . . . . 560 GLN O parsed_2rqg 1
6 1 2 . . . . . . . . . 564 GLU N parsed_2rqg 1
7 1 1 . . . . . . . . . 561 MET O parsed_2rqg 1
7 1 2 . . . . . . . . . 565 ARG H parsed_2rqg 1
8 1 1 . . . . . . . . . 561 MET O parsed_2rqg 1
8 1 2 . . . . . . . . . 565 ARG N parsed_2rqg 1
9 1 1 . . . . . . . . . 562 LEU O parsed_2rqg 1
9 1 2 . . . . . . . . . 566 LEU H parsed_2rqg 1
10 1 1 . . . . . . . . . 562 LEU O parsed_2rqg 1
10 1 2 . . . . . . . . . 566 LEU N parsed_2rqg 1
11 1 1 . . . . . . . . . 563 GLY O parsed_2rqg 1
11 1 2 . . . . . . . . . 567 PHE H parsed_2rqg 1
12 1 1 . . . . . . . . . 563 GLY O parsed_2rqg 1
12 1 2 . . . . . . . . . 567 PHE N parsed_2rqg 1
13 1 1 . . . . . . . . . 565 ARG O parsed_2rqg 1
13 1 2 . . . . . . . . . 569 LEU H parsed_2rqg 1
14 1 1 . . . . . . . . . 565 ARG O parsed_2rqg 1
14 1 2 . . . . . . . . . 569 LEU N parsed_2rqg 1
15 1 1 . . . . . . . . . 566 LEU O parsed_2rqg 1
15 1 2 . . . . . . . . . 570 ILE H parsed_2rqg 1
16 1 1 . . . . . . . . . 566 LEU O parsed_2rqg 1
16 1 2 . . . . . . . . . 570 ILE N parsed_2rqg 1
17 1 1 . . . . . . . . . 567 PHE O parsed_2rqg 1
17 1 2 . . . . . . . . . 571 GLN H parsed_2rqg 1
18 1 1 . . . . . . . . . 567 PHE O parsed_2rqg 1
18 1 2 . . . . . . . . . 571 GLN N parsed_2rqg 1
19 1 1 . . . . . . . . . 577 LEU O parsed_2rqg 1
19 1 2 . . . . . . . . . 581 ILE H parsed_2rqg 1
20 1 1 . . . . . . . . . 577 LEU O parsed_2rqg 1
20 1 2 . . . . . . . . . 581 ILE N parsed_2rqg 1
21 1 1 . . . . . . . . . 578 ALA O parsed_2rqg 1
21 1 2 . . . . . . . . . 582 THR H parsed_2rqg 1
22 1 1 . . . . . . . . . 578 ALA O parsed_2rqg 1
22 1 2 . . . . . . . . . 582 THR N parsed_2rqg 1
23 1 1 . . . . . . . . . 579 GLY O parsed_2rqg 1
23 1 2 . . . . . . . . . 583 GLY H parsed_2rqg 1
24 1 1 . . . . . . . . . 579 GLY O parsed_2rqg 1
24 1 2 . . . . . . . . . 583 GLY N parsed_2rqg 1
25 1 1 . . . . . . . . . 580 LYS O parsed_2rqg 1
25 1 2 . . . . . . . . . 584 MET H parsed_2rqg 1
26 1 1 . . . . . . . . . 580 LYS O parsed_2rqg 1
26 1 2 . . . . . . . . . 584 MET N parsed_2rqg 1
27 1 1 . . . . . . . . . 581 ILE O parsed_2rqg 1
27 1 2 . . . . . . . . . 585 LEU H parsed_2rqg 1
28 1 1 . . . . . . . . . 581 ILE O parsed_2rqg 1
28 1 2 . . . . . . . . . 585 LEU N parsed_2rqg 1
29 1 1 . . . . . . . . . 582 THR O parsed_2rqg 1
29 1 2 . . . . . . . . . 586 LEU H parsed_2rqg 1
30 1 1 . . . . . . . . . 582 THR O parsed_2rqg 1
30 1 2 . . . . . . . . . 586 LEU N parsed_2rqg 1
31 1 1 . . . . . . . . . 583 GLY O parsed_2rqg 1
31 1 2 . . . . . . . . . 587 GLU H parsed_2rqg 1
32 1 1 . . . . . . . . . 583 GLY O parsed_2rqg 1
32 1 2 . . . . . . . . . 587 GLU N parsed_2rqg 1
33 1 1 . . . . . . . . . 584 MET O parsed_2rqg 1
33 1 2 . . . . . . . . . 588 ILE H parsed_2rqg 1
34 1 1 . . . . . . . . . 584 MET O parsed_2rqg 1
34 1 2 . . . . . . . . . 588 ILE N parsed_2rqg 1
35 1 1 . . . . . . . . . 589 ASP O parsed_2rqg 1
35 1 2 . . . . . . . . . 593 LEU H parsed_2rqg 1
36 1 1 . . . . . . . . . 589 ASP O parsed_2rqg 1
36 1 2 . . . . . . . . . 593 LEU N parsed_2rqg 1
37 1 1 . . . . . . . . . 590 ASN O parsed_2rqg 1
37 1 2 . . . . . . . . . 594 LEU H parsed_2rqg 1
38 1 1 . . . . . . . . . 590 ASN O parsed_2rqg 1
38 1 2 . . . . . . . . . 594 LEU N parsed_2rqg 1
39 1 1 . . . . . . . . . 592 GLU O parsed_2rqg 1
39 1 2 . . . . . . . . . 596 MET H parsed_2rqg 1
40 1 1 . . . . . . . . . 592 GLU O parsed_2rqg 1
40 1 2 . . . . . . . . . 596 MET N parsed_2rqg 1
41 1 1 . . . . . . . . . 593 LEU O parsed_2rqg 1
41 1 2 . . . . . . . . . 597 LEU H parsed_2rqg 1
42 1 1 . . . . . . . . . 593 LEU O parsed_2rqg 1
42 1 2 . . . . . . . . . 597 LEU N parsed_2rqg 1
43 1 1 . . . . . . . . . 599 SER O parsed_2rqg 1
43 1 2 . . . . . . . . . 603 LEU H parsed_2rqg 1
44 1 1 . . . . . . . . . 599 SER O parsed_2rqg 1
44 1 2 . . . . . . . . . 603 LEU N parsed_2rqg 1
45 1 1 . . . . . . . . . 602 SER O parsed_2rqg 1
45 1 2 . . . . . . . . . 606 LYS H parsed_2rqg 1
46 1 1 . . . . . . . . . 602 SER O parsed_2rqg 1
46 1 2 . . . . . . . . . 606 LYS N parsed_2rqg 1
47 1 1 . . . . . . . . . 603 LEU O parsed_2rqg 1
47 1 2 . . . . . . . . . 607 VAL H parsed_2rqg 1
48 1 1 . . . . . . . . . 603 LEU O parsed_2rqg 1
48 1 2 . . . . . . . . . 607 VAL N parsed_2rqg 1
49 1 1 . . . . . . . . . 604 ARG O parsed_2rqg 1
49 1 2 . . . . . . . . . 608 ASP H parsed_2rqg 1
50 1 1 . . . . . . . . . 604 ARG O parsed_2rqg 1
50 1 2 . . . . . . . . . 608 ASP N parsed_2rqg 1
51 1 1 . . . . . . . . . 605 SER O parsed_2rqg 1
51 1 2 . . . . . . . . . 609 GLU H parsed_2rqg 1
52 1 1 . . . . . . . . . 605 SER O parsed_2rqg 1
52 1 2 . . . . . . . . . 609 GLU N parsed_2rqg 1
53 1 1 . . . . . . . . . 606 LYS O parsed_2rqg 1
53 1 2 . . . . . . . . . 610 ALA H parsed_2rqg 1
54 1 1 . . . . . . . . . 606 LYS O parsed_2rqg 1
54 1 2 . . . . . . . . . 610 ALA N parsed_2rqg 1
55 1 1 . . . . . . . . . 607 VAL O parsed_2rqg 1
55 1 2 . . . . . . . . . 611 VAL H parsed_2rqg 1
56 1 1 . . . . . . . . . 607 VAL O parsed_2rqg 1
56 1 2 . . . . . . . . . 611 VAL N parsed_2rqg 1
57 1 1 . . . . . . . . . 608 ASP O parsed_2rqg 1
57 1 2 . . . . . . . . . 612 ALA H parsed_2rqg 1
58 1 1 . . . . . . . . . 608 ASP O parsed_2rqg 1
58 1 2 . . . . . . . . . 612 ALA N parsed_2rqg 1
59 1 1 . . . . . . . . . 609 GLU O parsed_2rqg 1
59 1 2 . . . . . . . . . 613 VAL H parsed_2rqg 1
60 1 1 . . . . . . . . . 609 GLU O parsed_2rqg 1
60 1 2 . . . . . . . . . 613 VAL N parsed_2rqg 1
61 1 1 . . . . . . . . . 610 ALA O parsed_2rqg 1
61 1 2 . . . . . . . . . 614 LEU H parsed_2rqg 1
62 1 1 . . . . . . . . . 610 ALA O parsed_2rqg 1
62 1 2 . . . . . . . . . 614 LEU N parsed_2rqg 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 . . . . . . . 2.00 parsed_2rqg 1
2 1 . . . . . . . 3.00 parsed_2rqg 1
3 1 . . . . . . . 2.00 parsed_2rqg 1
4 1 . . . . . . . 3.00 parsed_2rqg 1
5 1 . . . . . . . 2.00 parsed_2rqg 1
6 1 . . . . . . . 3.00 parsed_2rqg 1
7 1 . . . . . . . 2.00 parsed_2rqg 1
8 1 . . . . . . . 3.00 parsed_2rqg 1
9 1 . . . . . . . 2.00 parsed_2rqg 1
10 1 . . . . . . . 3.00 parsed_2rqg 1
11 1 . . . . . . . 2.00 parsed_2rqg 1
12 1 . . . . . . . 3.00 parsed_2rqg 1
13 1 . . . . . . . 2.50 parsed_2rqg 1
14 1 . . . . . . . 3.50 parsed_2rqg 1
15 1 . . . . . . . 2.00 parsed_2rqg 1
16 1 . . . . . . . 3.00 parsed_2rqg 1
17 1 . . . . . . . 2.50 parsed_2rqg 1
18 1 . . . . . . . 3.50 parsed_2rqg 1
19 1 . . . . . . . 2.00 parsed_2rqg 1
20 1 . . . . . . . 3.00 parsed_2rqg 1
21 1 . . . . . . . 2.00 parsed_2rqg 1
22 1 . . . . . . . 3.00 parsed_2rqg 1
23 1 . . . . . . . 2.00 parsed_2rqg 1
24 1 . . . . . . . 3.00 parsed_2rqg 1
25 1 . . . . . . . 2.00 parsed_2rqg 1
26 1 . . . . . . . 3.00 parsed_2rqg 1
27 1 . . . . . . . 2.00 parsed_2rqg 1
28 1 . . . . . . . 3.00 parsed_2rqg 1
29 1 . . . . . . . 2.00 parsed_2rqg 1
30 1 . . . . . . . 3.00 parsed_2rqg 1
31 1 . . . . . . . 2.50 parsed_2rqg 1
32 1 . . . . . . . 3.00 parsed_2rqg 1
33 1 . . . . . . . 2.50 parsed_2rqg 1
34 1 . . . . . . . 3.00 parsed_2rqg 1
35 1 . . . . . . . 2.50 parsed_2rqg 1
36 1 . . . . . . . 3.00 parsed_2rqg 1
37 1 . . . . . . . 2.00 parsed_2rqg 1
38 1 . . . . . . . 3.00 parsed_2rqg 1
39 1 . . . . . . . 2.00 parsed_2rqg 1
40 1 . . . . . . . 3.00 parsed_2rqg 1
41 1 . . . . . . . 2.00 parsed_2rqg 1
42 1 . . . . . . . 3.00 parsed_2rqg 1
43 1 . . . . . . . 2.00 parsed_2rqg 1
44 1 . . . . . . . 3.00 parsed_2rqg 1
45 1 . . . . . . . 2.00 parsed_2rqg 1
46 1 . . . . . . . 3.00 parsed_2rqg 1
47 1 . . . . . . . 2.50 parsed_2rqg 1
48 1 . . . . . . . 3.00 parsed_2rqg 1
49 1 . . . . . . . 2.00 parsed_2rqg 1
50 1 . . . . . . . 3.00 parsed_2rqg 1
51 1 . . . . . . . 2.00 parsed_2rqg 1
52 1 . . . . . . . 3.00 parsed_2rqg 1
53 1 . . . . . . . 2.00 parsed_2rqg 1
54 1 . . . . . . . 3.00 parsed_2rqg 1
55 1 . . . . . . . 2.00 parsed_2rqg 1
56 1 . . . . . . . 3.00 parsed_2rqg 1
57 1 . . . . . . . 2.00 parsed_2rqg 1
58 1 . . . . . . . 3.00 parsed_2rqg 1
59 1 . . . . . . . 2.00 parsed_2rqg 1
60 1 . . . . . . . 3.00 parsed_2rqg 1
61 1 . . . . . . . 2.00 parsed_2rqg 1
62 1 . . . . . . . 3.00 parsed_2rqg 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 "565 ARG O 569 LEU H 2.00" 13 1 13 38 parsed_2rqg 1
2 "565 ARG O 569 LEU N 3.00" 15 1 15 38 parsed_2rqg 1
3 "567 PHE O 571 GLN H 2.00" 19 1 19 38 parsed_2rqg 1
4 "567 PHE O 571 GLN N 3.00" 21 1 21 38 parsed_2rqg 1
5 "574 HIS Proton acceptor is not identified" 24 1 24 42 parsed_2rqg 1
6 "583 GLY O 587 GLU H 2.00" 38 1 38 38 parsed_2rqg 1
7 "584 MET O 588 ILE H 2.00" 41 1 41 38 parsed_2rqg 1
8 "584 MET O 588 ILE N 3.50" 44 1 44 38 parsed_2rqg 1
9 "589 ASP O 593 LEU H 2.00" 46 1 46 38 parsed_2rqg 1
10 "589 ASP O 593 LEU H 2.50" 47 1 47 38 parsed_2rqg 1
11 "589 ASP O 593 LEU N 3.00" 48 1 48 38 parsed_2rqg 1
12 "589 ASP O 593 LEU N 3.50" 49 1 49 38 parsed_2rqg 1
13 "603 LEU O 607 VAL H 2.00" 68 1 68 38 parsed_2rqg 1
14 "606 LYS O 610 ALA H 2.50" 76 1 76 38 parsed_2rqg 1
15 "606 LYS O 610 ALA N 3.50" 78 1 78 38 parsed_2rqg 1
16 "608 ASP O 612 ALA H 2.50" 82 1 82 38 parsed_2rqg 1
17 "608 ASP O 612 ALA N 3.50" 84 1 84 38 parsed_2rqg 1
18 "611 VAL O 615 GLN H 2.00" 89 1 89 38 parsed_2rqg 1
19 "611 VAL O 615 GLN N 3.00" 90 1 90 38 parsed_2rqg 1
20 "612 ALA O 616 ALA H 2.00" 91 1 91 38 parsed_2rqg 1
21 "612 ALA O 616 ALA N 3.00" 92 1 92 38 parsed_2rqg 1
22 "613 VAL O 617 HIS H 2.00" 93 1 93 38 parsed_2rqg 1
23 "613 VAL O 617 HIS N 3.00" 94 1 94 38 parsed_2rqg 1
24 "614 LEU O 618 GLN H 2.00" 95 1 95 38 parsed_2rqg 1
25 "614 LEU O 618 GLN N 3.00" 96 1 96 38 parsed_2rqg 1
26 "615 GLN O 619 ALA H 2.00" 97 1 97 38 parsed_2rqg 1
27 "615 GLN O 619 ALA N 3.00" 98 1 98 38 parsed_2rqg 1
28 "616 ALA O 620 LYS H 2.00" 99 1 99 38 parsed_2rqg 1
29 "616 ALA O 620 LYS N 3.00" 100 1 100 38 parsed_2rqg 1
30 "617 HIS O 621 GLU H 2.00" 101 1 101 38 parsed_2rqg 1
31 "617 HIS O 621 GLU N 3.00" 102 1 102 38 parsed_2rqg 1
32 "618 GLN O 622 ALA H 2.00" 103 1 103 38 parsed_2rqg 1
33 "618 GLN O 622 ALA N 3.00" 104 1 104 38 parsed_2rqg 1
stop_
save_
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