NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
643577 |
6soe   |
34429 | cing | 2-parsed | STAR | dihedral angle | 224 |
data_6soe_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6soe
_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_6soe 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6soe
_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 6soe "Master copy" parsed_6soe
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6soe
_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 6soe.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6soe 1
1 6soe.mr . . XPLOR/CNS 2 distance NOE ambi 2838 parsed_6soe 1
1 6soe.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 224 parsed_6soe 1
1 6soe.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6soe 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6soe
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.976 -97.988 . " A" 519 . C " A" 520 . N " A" 520 . CA " A" 520 . C parsed_6soe 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.306 -96.418 . " A" 520 . C " A" 521 . N " A" 521 . CA " A" 521 . C parsed_6soe 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.145 -102.557 . " A" 521 . C " A" 522 . N " A" 522 . CA " A" 522 . C parsed_6soe 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.328 -106.580 . " A" 522 . C " A" 523 . N " A" 523 . CA " A" 523 . C parsed_6soe 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.251 -104.799 . " A" 523 . C " A" 524 . N " A" 524 . CA " A" 524 . C parsed_6soe 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.596 -93.556 . " A" 524 . C " A" 525 . N " A" 525 . CA " A" 525 . C parsed_6soe 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.684 68.886 . " A" 525 . C " A" 526 . N " A" 526 . CA " A" 526 . C parsed_6soe 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.118 -73.636 . " A" 526 . C " A" 527 . N " A" 527 . CA " A" 527 . C parsed_6soe 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.036 -56.640 . " A" 527 . C " A" 528 . N " A" 528 . CA " A" 528 . C parsed_6soe 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.098 -53.374 . " A" 528 . C " A" 529 . N " A" 529 . CA " A" 529 . C parsed_6soe 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.702 94.468 . " A" 529 . C " A" 530 . N " A" 530 . CA " A" 530 . C parsed_6soe 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.399 -79.451 . " A" 530 . C " A" 531 . N " A" 531 . CA " A" 531 . C parsed_6soe 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.903 -61.255 . " A" 531 . C " A" 532 . N " A" 532 . CA " A" 532 . C parsed_6soe 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.391 -106.625 . " A" 532 . C " A" 533 . N " A" 533 . CA " A" 533 . C parsed_6soe 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.422 -50.836 . " A" 533 . C " A" 534 . N " A" 534 . CA " A" 534 . C parsed_6soe 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.236 -59.822 . " A" 534 . C " A" 535 . N " A" 535 . CA " A" 535 . C parsed_6soe 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.166 -58.954 . " A" 535 . C " A" 536 . N " A" 536 . CA " A" 536 . C parsed_6soe 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.985 -62.717 . " A" 536 . C " A" 537 . N " A" 537 . CA " A" 537 . C parsed_6soe 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.820 -59.484 . " A" 537 . C " A" 538 . N " A" 538 . CA " A" 538 . C parsed_6soe 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.832 -60.712 . " A" 538 . C " A" 539 . N " A" 539 . CA " A" 539 . C parsed_6soe 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.993 -64.517 . " A" 539 . C " A" 540 . N " A" 540 . CA " A" 540 . C parsed_6soe 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.336 -58.578 . " A" 540 . C " A" 541 . N " A" 541 . CA " A" 541 . C parsed_6soe 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.507 -49.357 . " A" 541 . C " A" 542 . N " A" 542 . CA " A" 542 . C parsed_6soe 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.699 -79.187 . " A" 543 . C " A" 544 . N " A" 544 . CA " A" 544 . C parsed_6soe 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.734 -76.806 . " A" 546 . C " A" 547 . N " A" 547 . CA " A" 547 . C parsed_6soe 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.246 -79.722 . " A" 547 . C " A" 548 . N " A" 548 . CA " A" 548 . C parsed_6soe 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.726 -148.306 . " A" 548 . C " A" 549 . N " A" 549 . CA " A" 549 . C parsed_6soe 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.357 -142.671 . " A" 549 . C " A" 550 . N " A" 550 . CA " A" 550 . C parsed_6soe 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.554 -119.448 . " A" 550 . C " A" 551 . N " A" 551 . CA " A" 551 . C parsed_6soe 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.732 -81.462 . " A" 551 . C " A" 552 . N " A" 552 . CA " A" 552 . C parsed_6soe 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.065 -75.771 . " A" 552 . C " A" 553 . N " A" 553 . CA " A" 553 . C parsed_6soe 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.180 -55.566 . " A" 553 . C " A" 554 . N " A" 554 . CA " A" 554 . C parsed_6soe 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.114 -54.618 . " A" 554 . C " A" 555 . N " A" 555 . CA " A" 555 . C parsed_6soe 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.566 -98.586 . " A" 555 . C " A" 556 . N " A" 556 . CA " A" 556 . C parsed_6soe 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 46.198 55.828 . " A" 556 . C " A" 557 . N " A" 557 . CA " A" 557 . C parsed_6soe 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.480 -128.496 . " A" 557 . C " A" 558 . N " A" 558 . CA " A" 558 . C parsed_6soe 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.435 -130.661 . " A" 558 . C " A" 559 . N " A" 559 . CA " A" 559 . C parsed_6soe 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.710 -109.898 . " A" 559 . C " A" 560 . N " A" 560 . CA " A" 560 . C parsed_6soe 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.528 -121.822 . " A" 560 . C " A" 561 . N " A" 561 . CA " A" 561 . C parsed_6soe 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.954 -101.170 . " A" 561 . C " A" 562 . N " A" 562 . CA " A" 562 . C parsed_6soe 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.843 -103.759 . " A" 562 . C " A" 563 . N " A" 563 . CA " A" 563 . C parsed_6soe 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.424 -61.030 . " A" 563 . C " A" 564 . N " A" 564 . CA " A" 564 . C parsed_6soe 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.397 -111.887 . " A" 564 . C " A" 565 . N " A" 565 . CA " A" 565 . C parsed_6soe 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.969 -57.067 . " A" 565 . C " A" 566 . N " A" 566 . CA " A" 566 . C parsed_6soe 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.099 -56.731 . " A" 566 . C " A" 567 . N " A" 567 . CA " A" 567 . C parsed_6soe 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.584 -62.910 . " A" 567 . C " A" 568 . N " A" 568 . CA " A" 568 . C parsed_6soe 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.453 -62.423 . " A" 568 . C " A" 569 . N " A" 569 . CA " A" 569 . C parsed_6soe 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.759 -61.989 . " A" 569 . C " A" 570 . N " A" 570 . CA " A" 570 . C parsed_6soe 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.437 -62.409 . " A" 570 . C " A" 571 . N " A" 571 . CA " A" 571 . C parsed_6soe 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.658 -60.258 . " A" 571 . C " A" 572 . N " A" 572 . CA " A" 572 . C parsed_6soe 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.107 -59.451 . " A" 572 . C " A" 573 . N " A" 573 . CA " A" 573 . C parsed_6soe 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.746 -62.042 . " A" 573 . C " A" 574 . N " A" 574 . CA " A" 574 . C parsed_6soe 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.855 -59.853 . " A" 574 . C " A" 575 . N " A" 575 . CA " A" 575 . C parsed_6soe 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.960 -59.978 . " A" 575 . C " A" 576 . N " A" 576 . CA " A" 576 . C parsed_6soe 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.337 -64.897 . " A" 576 . C " A" 577 . N " A" 577 . CA " A" 577 . C parsed_6soe 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.851 -73.551 . " A" 577 . C " A" 578 . N " A" 578 . CA " A" 578 . C parsed_6soe 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.723 -110.731 . " A" 578 . C " A" 579 . N " A" 579 . CA " A" 579 . C parsed_6soe 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.530 -58.666 . " A" 579 . C " A" 580 . N " A" 580 . CA " A" 580 . C parsed_6soe 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.977 -95.229 . " A" 580 . C " A" 581 . N " A" 581 . CA " A" 581 . C parsed_6soe 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.864 -98.800 . " A" 581 . C " A" 582 . N " A" 582 . CA " A" 582 . C parsed_6soe 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.510 -122.890 . " A" 582 . C " A" 583 . N " A" 583 . CA " A" 583 . C parsed_6soe 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51.004 59.090 . " A" 583 . C " A" 584 . N " A" 584 . CA " A" 584 . C parsed_6soe 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.974 85.626 . " A" 584 . C " A" 585 . N " A" 585 . CA " A" 585 . C parsed_6soe 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.547 -103.241 . " A" 585 . C " A" 586 . N " A" 586 . CA " A" 586 . C parsed_6soe 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.250 -68.586 . " A" 586 . C " A" 587 . N " A" 587 . CA " A" 587 . C parsed_6soe 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.444 -67.360 . " A" 587 . C " A" 588 . N " A" 588 . CA " A" 588 . C parsed_6soe 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.230 -84.078 . " A" 588 . C " A" 589 . N " A" 589 . CA " A" 589 . C parsed_6soe 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.161 -100.109 . " A" 589 . C " A" 590 . N " A" 590 . CA " A" 590 . C parsed_6soe 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.653 -125.169 . " A" 590 . C " A" 591 . N " A" 591 . CA " A" 591 . C parsed_6soe 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.230 -64.216 . " A" 591 . C " A" 592 . N " A" 592 . CA " A" 592 . C parsed_6soe 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.407 -59.969 . " A" 592 . C " A" 593 . N " A" 593 . CA " A" 593 . C parsed_6soe 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.407 -60.785 . " A" 593 . C " A" 594 . N " A" 594 . CA " A" 594 . C parsed_6soe 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.832 -99.048 . " A" 595 . C " A" 596 . N " A" 596 . CA " A" 596 . C parsed_6soe 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.032 -65.042 . " A" 596 . C " A" 597 . N " A" 597 . CA " A" 597 . C parsed_6soe 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.888 -133.882 . " A" 597 . C " A" 598 . N " A" 598 . CA " A" 598 . C parsed_6soe 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.291 -61.801 . " A" 598 . C " A" 599 . N " A" 599 . CA " A" 599 . C parsed_6soe 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.922 163.494 . " A" 520 . N " A" 520 . CA " A" 520 . C " A" 521 . N parsed_6soe 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.570 134.258 . " A" 521 . N " A" 521 . CA " A" 521 . C " A" 522 . N parsed_6soe 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.963 133.705 . " A" 522 . N " A" 522 . CA " A" 522 . C " A" 523 . N parsed_6soe 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.865 139.269 . " A" 523 . N " A" 523 . CA " A" 523 . C " A" 524 . N parsed_6soe 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.886 138.604 . " A" 524 . N " A" 524 . CA " A" 524 . C " A" 525 . N parsed_6soe 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.274 174.678 . " A" 525 . N " A" 525 . CA " A" 525 . C " A" 526 . N parsed_6soe 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.793 44.937 . " A" 526 . N " A" 526 . CA " A" 526 . C " A" 527 . N parsed_6soe 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.331 145.439 . " A" 527 . N " A" 527 . CA " A" 527 . C " A" 528 . N parsed_6soe 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.684 152.730 . " A" 528 . N " A" 528 . CA " A" 528 . C " A" 529 . N parsed_6soe 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.828 139.022 . " A" 529 . N " A" 529 . CA " A" 529 . C " A" 530 . N parsed_6soe 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.416 16.704 . " A" 530 . N " A" 530 . CA " A" 530 . C " A" 531 . N parsed_6soe 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.802 16.454 . " A" 531 . N " A" 531 . CA " A" 531 . C " A" 532 . N parsed_6soe 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.642 158.356 . " A" 532 . N " A" 532 . CA " A" 532 . C " A" 533 . N parsed_6soe 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.713 169.737 . " A" 533 . N " A" 533 . CA " A" 533 . C " A" 534 . N parsed_6soe 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.243 -37.723 . " A" 534 . N " A" 534 . CA " A" 534 . C " A" 535 . N parsed_6soe 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.419 -33.741 . " A" 535 . N " A" 535 . CA " A" 535 . C " A" 536 . N parsed_6soe 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.433 -39.701 . " A" 536 . N " A" 536 . CA " A" 536 . C " A" 537 . N parsed_6soe 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.414 -39.982 . " A" 537 . N " A" 537 . CA " A" 537 . C " A" 538 . N parsed_6soe 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.537 -38.909 . " A" 538 . N " A" 538 . CA " A" 538 . C " A" 539 . N parsed_6soe 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.587 -30.371 . " A" 539 . N " A" 539 . CA " A" 539 . C " A" 540 . N parsed_6soe 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.961 -27.283 . " A" 540 . N " A" 540 . CA " A" 540 . C " A" 541 . N parsed_6soe 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.971 -22.329 . " A" 541 . N " A" 541 . CA " A" 541 . C " A" 542 . N parsed_6soe 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.171 -16.915 . " A" 543 . N " A" 543 . CA " A" 543 . C " A" 544 . N parsed_6soe 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.320 8.068 . " A" 544 . N " A" 544 . CA " A" 544 . C " A" 545 . N parsed_6soe 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.921 143.595 . " A" 546 . N " A" 546 . CA " A" 546 . C " A" 547 . N parsed_6soe 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.888 135.610 . " A" 547 . N " A" 547 . CA " A" 547 . C " A" 548 . N parsed_6soe 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.086 -18.246 . " A" 548 . N " A" 548 . CA " A" 548 . C " A" 549 . N parsed_6soe 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.294 164.740 . " A" 549 . N " A" 549 . CA " A" 549 . C " A" 550 . N parsed_6soe 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 151.837 165.317 . " A" 550 . N " A" 550 . CA " A" 550 . C " A" 551 . N parsed_6soe 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.002 149.126 . " A" 551 . N " A" 551 . CA " A" 551 . C " A" 552 . N parsed_6soe 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.801 138.429 . " A" 552 . N " A" 552 . CA " A" 552 . C " A" 553 . N parsed_6soe 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.638 130.404 . " A" 553 . N " A" 553 . CA " A" 553 . C " A" 554 . N parsed_6soe 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.148 -31.036 . " A" 554 . N " A" 554 . CA " A" 554 . C " A" 555 . N parsed_6soe 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.994 -23.298 . " A" 555 . N " A" 555 . CA " A" 555 . C " A" 556 . N parsed_6soe 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.578 11.540 . " A" 556 . N " A" 556 . CA " A" 556 . C " A" 557 . N parsed_6soe 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43.492 54.882 . " A" 557 . N " A" 557 . CA " A" 557 . C " A" 558 . N parsed_6soe 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 149.961 166.281 . " A" 558 . N " A" 558 . CA " A" 558 . C " A" 559 . N parsed_6soe 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 144.276 162.384 . " A" 559 . N " A" 559 . CA " A" 559 . C " A" 560 . N parsed_6soe 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.967 148.171 . " A" 560 . N " A" 560 . CA " A" 560 . C " A" 561 . N parsed_6soe 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.440 147.840 . " A" 561 . N " A" 561 . CA " A" 561 . C " A" 562 . N parsed_6soe 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.655 137.237 . " A" 562 . N " A" 562 . CA " A" 562 . C " A" 563 . N parsed_6soe 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.441 162.049 . " A" 563 . N " A" 563 . CA " A" 563 . C " A" 564 . N parsed_6soe 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.525 -16.955 . " A" 564 . N " A" 564 . CA " A" 564 . C " A" 565 . N parsed_6soe 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.029 161.013 . " A" 565 . N " A" 565 . CA " A" 565 . C " A" 566 . N parsed_6soe 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.739 -29.483 . " A" 566 . N " A" 566 . CA " A" 566 . C " A" 567 . N parsed_6soe 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.209 -33.157 . " A" 567 . N " A" 567 . CA " A" 567 . C " A" 568 . N parsed_6soe 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.988 -33.370 . " A" 568 . N " A" 568 . CA " A" 568 . C " A" 569 . N parsed_6soe 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.693 -35.849 . " A" 569 . N " A" 569 . CA " A" 569 . C " A" 570 . N parsed_6soe 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.674 -36.964 . " A" 570 . N " A" 570 . CA " A" 570 . C " A" 571 . N parsed_6soe 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.186 -33.444 . " A" 571 . N " A" 571 . CA " A" 571 . C " A" 572 . N parsed_6soe 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.523 -40.397 . " A" 572 . N " A" 572 . CA " A" 572 . C " A" 573 . N parsed_6soe 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.867 -39.743 . " A" 573 . N " A" 573 . CA " A" 573 . C " A" 574 . N parsed_6soe 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.725 -37.991 . " A" 574 . N " A" 574 . CA " A" 574 . C " A" 575 . N parsed_6soe 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.451 -42.989 . " A" 575 . N " A" 575 . CA " A" 575 . C " A" 576 . N parsed_6soe 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.674 -17.488 . " A" 576 . N " A" 576 . CA " A" 576 . C " A" 577 . N parsed_6soe 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.233 -25.809 . " A" 577 . N " A" 577 . CA " A" 577 . C " A" 578 . N parsed_6soe 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.293 -17.433 . " A" 578 . N " A" 578 . CA " A" 578 . C " A" 579 . N parsed_6soe 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57.349 112.425 . " A" 579 . N " A" 579 . CA " A" 579 . C " A" 580 . N parsed_6soe 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.151 158.261 . " A" 580 . N " A" 580 . CA " A" 580 . C " A" 581 . N parsed_6soe 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.656 152.648 . " A" 581 . N " A" 581 . CA " A" 581 . C " A" 582 . N parsed_6soe 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.700 137.336 . " A" 582 . N " A" 582 . CA " A" 582 . C " A" 583 . N parsed_6soe 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.667 129.759 . " A" 583 . N " A" 583 . CA " A" 583 . C " A" 584 . N parsed_6soe 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33.862 45.110 . " A" 584 . N " A" 584 . CA " A" 584 . C " A" 585 . N parsed_6soe 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.794 8.742 . " A" 585 . N " A" 585 . CA " A" 585 . C " A" 586 . N parsed_6soe 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.935 145.057 . " A" 586 . N " A" 586 . CA " A" 586 . C " A" 587 . N parsed_6soe 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.181 137.459 . " A" 587 . N " A" 587 . CA " A" 587 . C " A" 588 . N parsed_6soe 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.830 139.440 . " A" 588 . N " A" 588 . CA " A" 588 . C " A" 589 . N parsed_6soe 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.646 136.642 . " A" 589 . N " A" 589 . CA " A" 589 . C " A" 590 . N parsed_6soe 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.744 134.780 . " A" 590 . N " A" 590 . CA " A" 590 . C " A" 591 . N parsed_6soe 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.946 164.470 . " A" 591 . N " A" 591 . CA " A" 591 . C " A" 592 . N parsed_6soe 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.832 153.480 . " A" 592 . N " A" 592 . CA " A" 592 . C " A" 593 . N parsed_6soe 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.344 158.176 . " A" 593 . N " A" 593 . CA " A" 593 . C " A" 594 . N parsed_6soe 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.267 -9.567 . " A" 595 . N " A" 595 . CA " A" 595 . C " A" 596 . N parsed_6soe 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 136.046 163.914 . " A" 596 . N " A" 596 . CA " A" 596 . C " A" 597 . N parsed_6soe 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.832 -19.370 . " A" 597 . N " A" 597 . CA " A" 597 . C " A" 598 . N parsed_6soe 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.886 166.532 . " A" 598 . N " A" 598 . CA " A" 598 . C " A" 599 . N parsed_6soe 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.4 -56.4 . " A" 514 . N " A" 514 . CA " A" 514 . CB " A" 514 . CG parsed_6soe 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.2 -58.2 . " A" 515 . N " A" 515 . CA " A" 515 . CB " A" 515 . CG parsed_6soe 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.2 -52.2 . " A" 516 . N " A" 516 . CA " A" 516 . CB " A" 516 . CG parsed_6soe 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.8 -47.8 . " A" 520 . N " A" 520 . CA " A" 520 . CB " A" 520 . CG parsed_6soe 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.0 -169.0 . " A" 521 . N " A" 521 . CA " A" 521 . CB " A" 521 . CG1 parsed_6soe 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.8 -171.6 . " A" 522 . N " A" 522 . CA " A" 522 . CB " A" 522 . CG1 parsed_6soe 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -50.3 . " A" 524 . N " A" 524 . CA " A" 524 . CB " A" 524 . CG1 parsed_6soe 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.5 -52.3 . " A" 526 . N " A" 526 . CA " A" 526 . CB " A" 526 . CG parsed_6soe 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -51.4 . " A" 532 . N " A" 532 . CA " A" 532 . CB " A" 532 . SG parsed_6soe 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.3 70.3 . " A" 533 . N " A" 533 . CA " A" 533 . CB " A" 533 . OG1 parsed_6soe 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.1 -57.3 . " A" 536 . N " A" 536 . CA " A" 536 . CB " A" 536 . CG parsed_6soe 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 167.6 185.8 . " A" 537 . N " A" 537 . CA " A" 537 . CB " A" 537 . CG1 parsed_6soe 1
165 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -60.8 . " A" 538 . N " A" 538 . CA " A" 538 . CB " A" 538 . CG1 parsed_6soe 1
166 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.3 -60.1 . " A" 539 . N " A" 539 . CA " A" 539 . CB " A" 539 . CG parsed_6soe 1
167 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -61.6 . " A" 540 . N " A" 540 . CA " A" 540 . CB " A" 540 . CG parsed_6soe 1
168 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -59.0 . " A" 542 . N " A" 542 . CA " A" 542 . CB " A" 542 . CG parsed_6soe 1
169 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.6 -59.4 . " A" 544 . N " A" 544 . CA " A" 544 . CB " A" 544 . CG parsed_6soe 1
170 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 176.0 183.6 . " A" 547 . N " A" 547 . CA " A" 547 . CB " A" 547 . CG1 parsed_6soe 1
171 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 64.6 . " A" 548 . N " A" 548 . CA " A" 548 . CB " A" 548 . OG1 parsed_6soe 1
172 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53.8 73.0 . " A" 550 . N " A" 550 . CA " A" 550 . CB " A" 550 . CG parsed_6soe 1
173 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . " A" 552 . N " A" 552 . CA " A" 552 . CB " A" 552 . CG parsed_6soe 1
174 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -46.2 . " A" 553 . N " A" 553 . CA " A" 553 . CB " A" 553 . CG parsed_6soe 1
175 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.4 74.0 . " A" 555 . N " A" 555 . CA " A" 555 . CB " A" 555 . OG parsed_6soe 1
176 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.8 69.8 . " A" 556 . N " A" 556 . CA " A" 556 . CB " A" 556 . OG1 parsed_6soe 1
177 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.4 -53.8 . " A" 558 . N " A" 558 . CA " A" 558 . CB " A" 558 . CG parsed_6soe 1
178 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 -53.6 . " A" 560 . N " A" 560 . CA " A" 560 . CB " A" 560 . CG parsed_6soe 1
179 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.2 -161.2 . " A" 561 . N " A" 561 . CA " A" 561 . CB " A" 561 . CG parsed_6soe 1
180 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -50.0 . " A" 563 . N " A" 563 . CA " A" 563 . CB " A" 563 . CG parsed_6soe 1
181 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.3 -46.9 . " A" 565 . N " A" 565 . CA " A" 565 . CB " A" 565 . CG parsed_6soe 1
182 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 168.9 180.3 . " A" 573 . N " A" 573 . CA " A" 573 . CB " A" 573 . CG1 parsed_6soe 1
183 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.6 -55.2 . " A" 574 . N " A" 574 . CA " A" 574 . CB " A" 574 . CG parsed_6soe 1
184 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.9 -171.3 . " A" 575 . N " A" 575 . CA " A" 575 . CB " A" 575 . CG parsed_6soe 1
185 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -55.1 . " A" 576 . N " A" 576 . CA " A" 576 . CB " A" 576 . CG parsed_6soe 1
186 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -58.0 . " A" 577 . N " A" 577 . CA " A" 577 . CB " A" 577 . CG parsed_6soe 1
187 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.6 -53.4 . " A" 578 . N " A" 578 . CA " A" 578 . CB " A" 578 . CG parsed_6soe 1
188 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -55.1 . " A" 579 . N " A" 579 . CA " A" 579 . CB " A" 579 . CG parsed_6soe 1
189 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.9 -48.3 . " A" 582 . N " A" 582 . CA " A" 582 . CB " A" 582 . CG1 parsed_6soe 1
190 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.4 -47.0 . " A" 583 . N " A" 583 . CA " A" 583 . CB " A" 583 . CG1 parsed_6soe 1
191 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.3 -55.9 . " A" 584 . N " A" 584 . CA " A" 584 . CB " A" 584 . CG parsed_6soe 1
192 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 -50.4 . " A" 588 . N " A" 588 . CA " A" 588 . CB " A" 588 . CG parsed_6soe 1
193 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.6 -53.0 . " A" 590 . N " A" 590 . CA " A" 590 . CB " A" 590 . CG1 parsed_6soe 1
194 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.1 -55.3 . " A" 592 . N " A" 592 . CA " A" 592 . CB " A" 592 . CG parsed_6soe 1
195 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.6 -60.0 . " A" 595 . N " A" 595 . CA " A" 595 . CB " A" 595 . CG parsed_6soe 1
196 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.2 -51.8 . " A" 596 . N " A" 596 . CA " A" 596 . CB " A" 596 . CG parsed_6soe 1
197 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 -54.0 . " A" 599 . N " A" 599 . CA " A" 599 . CB " A" 599 . CG parsed_6soe 1
198 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.5 -51.3 . " A" 600 . N " A" 600 . CA " A" 600 . CB " A" 600 . CG parsed_6soe 1
199 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.1 -53.7 . " A" 601 . N " A" 601 . CA " A" 601 . CB " A" 601 . CG parsed_6soe 1
200 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -53.1 . " A" 603 . N " A" 603 . CA " A" 603 . CB " A" 603 . CG parsed_6soe 1
201 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.6 -55.2 . " A" 606 . N " A" 606 . CA " A" 606 . CB " A" 606 . CG parsed_6soe 1
202 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -185.9 -168.7 . " A" 608 . N " A" 608 . CA " A" 608 . CB " A" 608 . CG1 parsed_6soe 1
203 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.1 -56.7 . " A" 611 . N " A" 611 . CA " A" 611 . CB " A" 611 . CG1 parsed_6soe 1
204 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.9 -50.7 . " A" 612 . N " A" 612 . CA " A" 612 . CB " A" 612 . CG1 parsed_6soe 1
205 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.8 -56.6 . " A" 613 . N " A" 613 . CA " A" 613 . CB " A" 613 . CG parsed_6soe 1
206 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.8 -54.8 . " A" 616 . N " A" 616 . CA " A" 616 . CB " A" 616 . CG parsed_6soe 1
207 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.1 -55.9 . " A" 618 . N " A" 618 . CA " A" 618 . CB " A" 618 . CG parsed_6soe 1
208 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.4 -52.0 . " A" 619 . N " A" 619 . CA " A" 619 . CB " A" 619 . CG parsed_6soe 1
209 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 524 . CA " A" 524 . CB " A" 524 . CG1 " A" 524 . CD1 parsed_6soe 1
210 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 538 . CA " A" 538 . CB " A" 538 . CG1 " A" 538 . CD1 parsed_6soe 1
211 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 551 . CA " A" 551 . CB " A" 551 . CG1 " A" 551 . CD1 parsed_6soe 1
212 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 582 . CA " A" 582 . CB " A" 582 . CG1 " A" 582 . CD1 parsed_6soe 1
213 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 590 . CA " A" 590 . CB " A" 590 . CG1 " A" 590 . CD1 parsed_6soe 1
214 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 527 . CA " A" 527 . CB " A" 527 . CG " A" 527 . CD1 parsed_6soe 1
215 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . " A" 527 . N " A" 527 . CA " A" 527 . CB " A" 527 . CG parsed_6soe 1
216 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 540 . CA " A" 540 . CB " A" 540 . CG " A" 540 . CD1 parsed_6soe 1
217 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 542 . CA " A" 542 . CB " A" 542 . CG " A" 542 . CD1 parsed_6soe 1
218 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 552 . CA " A" 552 . CB " A" 552 . CG " A" 552 . CD1 parsed_6soe 1
219 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . " A" 561 . CA " A" 561 . CB " A" 561 . CG " A" 561 . CD1 parsed_6soe 1
220 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 588 . CA " A" 588 . CB " A" 588 . CG " A" 588 . CD1 parsed_6soe 1
221 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 70.0 . " A" 589 . CA " A" 589 . CB " A" 589 . CG " A" 589 . CD1 parsed_6soe 1
222 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 589 . N " A" 589 . CA " A" 589 . CB " A" 589 . CG parsed_6soe 1
223 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 599 . CA " A" 599 . CB " A" 599 . CG " A" 599 . CD1 parsed_6soe 1
224 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 190.0 . " A" 601 . CA " A" 601 . CB " A" 601 . CG " A" 601 . CD1 parsed_6soe 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
!REMARK Secondary Structure Prediction for Chemical Shift Input rbm20_unbound_FINAL_backbone_shifts.tbl
!
!REMARK H-Helix E-Strand L-Coil (Chemical shift based)
!REMARK h-Helix e-Strand c-Coil (Sequence based)
!
!REMARK Reference:
!REMARK Y. Shen, and A. Bax:
!REMARK Protein backbone and sidechain torsion angles predicted from NMR
!REMARK chemical shifts using artificial neural networks
!REMARK J. Biomol. NMR, 56, 227-241(2013).
!
!DATA FIRST_RESID 510
!
!DATA SEQUENCE GAMAQRKGAG RVVHICNLPE GSCTENDVIN LGLPFGKVTN YILMKSTNQA
!DATA PREDICTED_SS cLLLLLLLLL EEEEELLLLL LLLLHHHHHH HHLLLLEELL EEELHHLLEE
!DATA CONFIDENCE 7043788886 4999808998 8888799999 7155770131 7980533739
!
!DATA SEQUENCE FLEMAYTEAA QAMVQYYQEK PAIINGEKLL IRMSTRYKEL QLKKPGKNVA
!DATA PREDICTED_SS EEEELLHHHH HHHHHHHHHL LEEELLLEEE EEELLLLLLL LLLLLLLLLL
!DATA CONFIDENCE 9997677999 9999999717 6686780678 8866789986 6789888873
!
!DATA SEQUENCE AIIQDIHSQR ER
!DATA PREDICTED_SS LLLLLLLLLL LL
!DATA CONFIDENCE 2035878886 50
!
! 511 A 9999.000 9999.000 0.000 0.000 0.000 0.000 0 10 None
! 512 M -93.494 127.225 24.777 17.099 6.536 0.140 4 16 Dyn
! 513 A -72.584 -28.855 15.434 12.208 5.136 0.121 8 18 Dyn
! 514 Q -82.285 -17.812 26.169 26.321 6.110 0.117 5 18 Dyn
! 515 R -80.416 129.754 19.613 28.100 1.864 0.129 7 18 Dyn
! 516 K -96.302 -5.078 20.544 21.461 1.711 0.189 4 17 Dyn
! 517 G 83.573 11.226 12.801 16.368 1.617 0.289 6 17 Dyn
! 518 A -72.747 142.222 13.204 9.823 0.585 0.471 8 16 Dyn
! 519 G -100.684 175.081 35.460 29.501 0.445 0.653 5 17 Warn
! 520 R -129.982 153.208 31.994 10.286 0.350 0.804 25 17 Strong
! 521 V -107.362 127.914 10.944 6.344 0.215 0.868 25 18 Strong
! 522 V -111.351 127.834 8.794 5.871 0.209 0.893 25 18 Strong
! 523 H -114.954 128.067 8.374 11.202 0.249 0.892 25 18 Strong
! 524 I -114.525 128.745 9.726 9.859 0.188 0.876 25 18 Strong
! 525 C -111.576 153.476 18.020 21.202 0.777 0.852 25 18 Strong
! 526 N 62.785 35.865 6.101 9.072 0.160 0.828 25 18 Strong
! 527 L -81.877 134.885 8.241 10.554 0.207 0.816 25 16 Strong
! 528 P -61.838 143.707 5.198 9.023 0.247 0.796 25 16 Strong
! 529 E -59.736 132.425 6.362 6.597 0.381 0.789 25 15 Strong
! 530 G 84.085 -0.356 10.383 17.060 0.416 0.739 25 17 Strong
! 531 S -99.925 -8.674 20.474 25.128 0.710 0.734 6 17 Warn
! 532 C -73.079 142.499 11.824 15.857 0.000 0.757 10 18 Generous
! 533 T -123.508 162.725 16.883 7.012 0.238 0.838 25 18 Strong
! 534 E -56.629 -41.983 5.793 4.260 0.167 0.904 25 18 Strong
! 535 N -64.029 -38.080 4.207 4.339 0.121 0.925 25 18 Strong
! 536 D -63.560 -43.067 4.606 3.366 0.084 0.933 25 18 Strong
! 537 V -64.851 -42.698 2.134 2.716 0.083 0.928 25 18 Strong
! 538 I -63.152 -42.223 3.668 3.314 0.090 0.924 25 18 Strong
! 539 N -65.272 -35.979 4.560 5.608 0.149 0.900 25 18 Strong
! 540 L -69.255 -33.122 4.738 5.839 0.247 0.876 25 17 Strong
! 541 G -68.957 -35.150 10.379 12.821 0.375 0.852 25 17 Strong
! 542 L -54.932 -44.431 5.575 6.423 0.681 0.850 10 15 Generous
! 543 P -63.825 -21.543 5.283 4.628 0.672 0.846 25 16 Strong
! 544 F -90.943 -3.126 11.756 11.194 0.588 0.833 25 15 Strong
! 545 G 95.509 8.834 11.155 11.305 0.610 0.816 10 17 Generous
! 546 K -77.139 134.258 11.130 9.337 0.434 0.794 25 17 Strong
! 547 V -90.770 126.249 13.964 9.361 0.421 0.800 25 18 Strong
! 548 T -93.484 -28.166 13.762 9.920 0.370 0.818 25 18 Strong
! 549 N -155.516 155.017 7.210 9.723 0.275 0.854 25 18 Strong
! 550 Y -152.514 158.577 9.843 6.740 0.317 0.875 25 18 Strong
! 551 I -129.501 137.064 10.053 12.062 0.413 0.868 25 18 Strong
! 552 L -96.097 125.115 14.635 13.314 0.292 0.863 25 18 Strong
! 553 M -91.418 109.521 15.647 20.883 0.246 0.861 25 18 Strong
! 554 K -61.373 -38.592 5.807 7.556 0.161 0.870 25 18 Strong
! 555 S -61.366 -33.646 6.748 10.348 0.125 0.869 25 18 Strong
! 556 T -108.576 3.981 9.990 7.559 0.154 0.882 25 18 Strong
! 557 N 51.013 49.187 4.815 5.695 0.124 0.904 25 18 Strong
! 558 Q -138.488 158.121 9.992 8.160 0.164 0.931 25 18 Strong
! 559 A -141.548 153.330 10.887 9.054 0.217 0.936 25 18 Strong
! 560 F -122.304 137.569 12.406 10.602 0.274 0.930 25 18 Strong
! 561 L -129.175 134.140 7.353 13.700 0.260 0.927 25 18 Strong
! 562 E -114.562 129.446 13.392 7.791 0.332 0.924 25 18 Strong
! 563 M -114.301 148.745 10.542 13.304 0.392 0.926 25 18 Strong
! 564 A -68.227 -30.740 7.197 13.785 0.334 0.918 25 18 Strong
! 565 Y -129.642 141.521 17.755 19.492 0.416 0.918 25 18 Strong
! 566 T -63.018 -34.111 5.951 4.628 0.216 0.910 25 18 Strong
! 567 E -61.415 -38.683 4.684 5.526 0.173 0.905 25 18 Strong
! 568 A -67.747 -39.679 4.837 6.309 0.154 0.893 25 18 Strong
! 569 A -64.938 -40.271 2.515 4.422 0.180 0.891 25 18 Strong
! 570 Q -64.874 -40.819 2.885 3.855 0.169 0.896 25 18 Strong
! 571 A -65.423 -39.315 3.014 5.871 0.199 0.906 25 18 Strong
! 572 M -64.458 -43.960 4.200 3.563 0.176 0.916 25 18 Strong
! 573 V -62.779 -43.305 3.328 3.562 0.161 0.922 25 18 Strong
! 574 Q -63.894 -41.358 1.852 3.367 0.146 0.919 25 18 Strong
! 575 Y -63.354 -46.220 3.501 3.231 0.159 0.907 25 18 Strong
! 576 Y -67.969 -29.081 7.991 11.593 0.136 0.881 25 18 Strong
! 577 Q -72.117 -33.521 7.220 7.712 0.117 0.856 25 18 Strong
! 578 E -83.701 -26.863 10.150 9.430 0.174 0.824 25 18 Strong
! 579 K -126.227 84.887 15.496 27.538 0.305 0.802 25 16 Strong
! 580 P -67.598 149.206 8.932 9.055 0.247 0.803 25 16 Strong
! 581 A -116.103 134.652 20.874 17.996 0.843 0.815 25 16 Strong
! 582 I -110.332 128.518 11.532 8.818 0.238 0.831 25 18 Strong
! 583 I -129.700 122.213 6.810 7.546 0.111 0.804 25 18 Strong
! 584 N 55.047 39.486 4.043 5.624 0.073 0.790 25 17 Strong
! 585 G 81.300 2.474 4.326 6.268 0.073 0.770 25 17 Strong
! 586 E -111.894 136.496 8.653 8.561 0.095 0.767 25 17 Strong
! 587 K -79.418 122.820 10.832 14.639 0.161 0.760 25 18 Strong
! 588 L -81.402 130.635 14.042 8.805 0.189 0.782 25 18 Strong
! 589 L -102.654 123.644 18.576 12.998 0.284 0.825 25 18 Strong
! 590 I -108.135 126.262 8.026 8.518 0.258 0.864 25 18 Strong
! 591 R -137.911 153.208 12.742 11.262 0.308 0.861 25 18 Strong
! 592 M -73.723 140.656 9.507 12.824 0.411 0.819 25 18 Strong
! 593 S -73.188 142.760 13.219 15.416 0.509 0.763 25 17 Strong
! 594 T -79.596 120.821 18.811 16.707 0.719 0.750 4 15 Warn
! 595 R -76.171 -24.917 11.893 15.350 0.571 0.758 25 15 Strong
! 596 Y -116.440 149.980 17.392 13.934 0.560 0.800 25 14 Strong
! 597 K -77.037 -30.101 11.995 10.731 0.404 0.802 25 16 Strong
! 598 E -146.885 156.209 13.003 10.323 0.390 0.797 25 16 Strong
! 599 L -77.046 134.589 15.245 17.202 0.442 0.731 10 18 Generous
! 600 Q -73.680 141.540 9.563 17.097 0.471 0.586 10 18 Dyn
! 601 L -71.602 137.715 10.691 8.946 0.339 0.450 25 18 Dyn
! 602 K -76.244 139.439 11.206 10.746 0.365 0.349 10 18 Dyn
! 603 K -89.489 149.093 24.675 11.618 0.255 0.326 25 16 Dyn
! 604 P -56.936 134.625 4.902 5.700 0.215 0.279 25 15 Dyn
! 605 G 86.681 -1.919 9.131 12.826 0.224 0.236 25 15 Dyn
! 606 K -78.462 141.050 10.575 12.190 0.291 0.183 8 16 Dyn
! 607 N -76.061 145.262 7.324 17.459 0.440 0.202 6 17 Dyn
! 608 V -102.775 2.776 20.963 18.188 0.689 0.246 5 17 Dyn
! 609 A -72.667 -20.628 14.790 11.261 0.925 0.291 7 18 Dyn
! 610 A -75.553 -19.352 12.403 13.449 1.343 0.272 8 18 Dyn
! 611 I -91.907 -16.001 15.218 14.236 1.258 0.236 8 18 Dyn
! 612 I -81.501 142.864 16.909 15.221 1.452 0.288 8 18 Dyn
! 613 Q -96.863 -6.753 17.245 21.110 1.186 0.385 2 18 Dyn
! 614 D -74.619 143.106 12.898 21.375 0.807 0.567 10 18 Dyn
! 615 I -66.552 -27.927 9.415 8.703 0.643 0.589 25 18 Dyn
! 616 H -83.726 -8.882 17.732 17.612 0.593 0.569 25 18 Dyn
! 617 S -76.128 -18.088 10.557 8.825 0.000 0.378 25 18 Dyn
! 618 Q -91.508 -2.946 10.759 11.903 0.617 0.224 8 18 Dyn
! 619 R -87.733 -14.400 11.948 9.707 0.725 0.095 5 18 Dyn
! 620 E -70.329 141.295 7.035 10.805 0.922 0.043 25 18 Dyn
! 621 R 9999.000 9999.000 0.000 0.000 0.000 0.000 0 12 None
!
!PHI - only STRONG predictions from Talos-N
;
2 1 139 45 parsed_6soe 1
2 "!PSI - only STRONG predictions from Talos-N" 293 1 293 45 parsed_6soe 1
3
;
! TALOS-N SideR
! name res Cg1 Cg2 p(gp)p(tr)p(gm)
! 514 Q 18 0.651 0.099 0.250 g- -64.4 8.0
! 515 R 18 0.604 0.123 0.273 g- -69.7 11.5
! 516 K 17 0.625 0.101 0.275 g- -62.7 10.5
! 520 R 17 0.635 0.222 0.143 g- -60.8 13.0
! 521 V 18 0.111 0.069 0.820 t -178.0 9.0 V521 val 23.2 22.1 0.00 0.88 0.12
! 522 V 18 0.053 0.113 0.834 t -178.2 6.6 V522 val 22.2 21.5 0.00 0.90 0.10
! 524 I 18 0.873 0.063 0.063 g- -55.8 5.5 I524 ile 15.8 - 0.00 1.00 0.00
! 526 N 18 0.712 0.044 0.244 g- -60.9 8.6
! L527 leu 26.4 24.8 0.35 0.65 0.00
! 532 C 18 0.631 0.077 0.292 g- -57.2 5.8
! 533 T 18 0.050 0.901 0.050 g+ 65.8 4.5
! 536 D 18 0.644 0.113 0.243 g- -67.2 9.9
! 537 V 18 0.053 0.113 0.834 t 176.7 9.1 V537 val 21.7 22.9 0.02 0.98 0.00
! 538 I 18 0.898 0.051 0.051 g- -66.7 5.9 I538 ile 13.2 - 0.00 0.71 0.29
! 539 N 18 0.698 0.046 0.255 g- -69.7 9.6
! 540 L 17 0.825 0.050 0.125 g- -66.8 5.2 L540 leu 26.4 22.2 0.08 0.92 0.00
! 542 L 15 0.886 0.057 0.057 g- -75.0 16.0 L542 leu 25.5 23.1 0.26 0.74 0.00
! 544 F 15 0.938 0.031 0.031 g- -65.0 5.6
! 547 V 18 0.072 0.072 0.856 t 179.8 3.8 V547 val 22.2 20.7 0.00 0.77 0.23
! 548 T 18 0.050 0.901 0.050 g+ 59.8 4.8
! 550 Y 18 0.194 0.695 0.110 g+ 63.4 9.6
! I551 ile 13.9 - 0.00 0.84 0.16
! L552 leu 25.1 23.7 0.36 0.64 0.00
! 553 M 18 0.790 0.105 0.105 g- -66.8 20.6
! 555 S 18 0.251 0.611 0.138 g+ 66.2 7.8
! 556 T 18 0.071 0.819 0.111 g+ 64.3 5.5
! 558 Q 18 0.634 0.263 0.103 g- -61.6 7.8
! 560 F 18 0.752 0.195 0.053 g- -60.7 7.1
! 561 L 18 0.346 0.043 0.611 t -175.2 14.0 L561 leu 26.3 26.9 0.56 0.44 0.00
! 563 M 18 0.817 0.092 0.092 g- -61.5 11.5
! 565 Y 18 0.922 0.039 0.039 g- -59.1 12.2
! 573 V 18 0.056 0.056 0.888 t 174.6 5.7 V573 val 21.4 24.6 0.19 0.81 0.00
! 574 Q 18 0.669 0.075 0.257 g- -64.9 9.7
! 575 Y 18 0.315 0.028 0.657 t -178.6 7.3
! 576 Y 18 0.796 0.034 0.171 g- -66.4 9.6
! 577 Q 18 0.647 0.105 0.248 g- -65.7 7.7
! 578 E 18 0.696 0.068 0.235 g- -64.0 10.6
! 579 K 16 0.671 0.101 0.228 g- -66.4 11.3
! 582 I 18 0.886 0.050 0.064 g- -56.1 7.8 I582 ile 12.6 - 0.00 0.60 0.40
! 583 I 18 0.667 0.051 0.282 g- -56.7 9.7 I583 ile 13.4 - 0.00 0.75 0.25
! 584 N 17 0.643 0.043 0.314 g- -62.1 6.2
! 588 L 18 0.766 0.047 0.187 g- -60.3 9.9 L588 leu 25.9 23.7 0.28 0.72 0.00
! L589 leu 23.9 24.7 0.57 0.43 0.00
! 590 I 18 0.873 0.063 0.063 g- -59.3 6.3 I590 ile 13.4 - 0.00 0.75 0.25
! 592 M 18 0.619 0.120 0.260 g- -66.7 11.4
! 595 R 15 0.639 0.112 0.250 g- -74.7 14.8
! 596 Y 14 0.918 0.041 0.041 g- -59.0 7.2
! 599 L 18 0.825 0.050 0.125 g- -61.4 7.4 L599 leu 25.2 22.3 0.21 0.79 0.00
! 600 Q 18 0.690 0.083 0.227 g- -58.9 7.6 L601 leu 25.1 23.7 0.36 0.64 0.00
! 601 L 18 0.766 0.047 0.187 g- -62.4 8.7
! 603 K 16 0.724 0.166 0.109 g- -69.0 15.9
! 606 K 16 0.659 0.138 0.203 g- -65.4 10.2
! 608 V 17 0.232 0.096 0.672 t -177.3 8.6 V608 val 21.3 20.7 0.08 0.71 0.21
! 611 I 18 0.688 0.229 0.083 g- -65.9 9.2 I611 ile 12.95 - 0.00 0.66 0.34
! 612 I 18 0.693 0.154 0.154 g- -61.8 11.1 I612 ile 12.9 - 0.00 0.65 0.35
! 613 Q 18 0.670 0.109 0.221 g- -66.7 10.1
! I615 ile 13.5 - 0.00 0.77 0.23
! 616 H 18 0.625 0.187 0.187 g- -65.3 10.5
! 618 Q 18 0.647 0.105 0.248 g- -64.0 8.1
! 619 R 18 0.604 0.123 0.273 g- -61.7 9.7
!chi1
;
448 1 512 7 parsed_6soe 1
4
;
!chi-2 from SideR
!Ile
;
627 1 628 6 parsed_6soe 1
5
;
!assign (segid " A" and resid 611 and name CA ) (segid " A" and resid 611 and name CB )
! (segid " A" and resid 611 and name CG1 ) (segid " A" and resid 611 and name CD1 ) 1.0 180 10.0 2
!assign (segid " A" and resid 612 and name CA ) (segid " A" and resid 612 and name CB )
! (segid " A" and resid 612 and name CG1 ) (segid " A" and resid 612 and name CD1 ) 1.0 180 10.0 2
!assign (segid " A" and resid 615 and name CA ) (segid " A" and resid 615 and name CB )
! (segid " A" and resid 615 and name CG1 ) (segid " A" and resid 615 and name CD1 ) 1.0 180 10.0 2
!Leu
;
639 1 646 6 parsed_6soe 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: dihedrals.tbl" 1 1 1 34 parsed_6soe 1
stop_
save_
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