NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
613720 |
5u4k   |
26867 | cing | 2-parsed | STAR | dihedral angle | 164 |
data_5u4k_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5u4k
_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_5u4k 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5u4k
_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 5u4k "Master copy" parsed_5u4k
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5u4k
_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 5u4k.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u4k 1
1 5u4k.mr . . XPLOR/CNS 2 distance NOE ambi 1327 parsed_5u4k 1
1 5u4k.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_5u4k 1
1 5u4k.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 164 parsed_5u4k 1
1 5u4k.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u4k 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5u4k
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.8 -49.8 . " KIX" 586 . C " KIX" 587 . N " KIX" 587 . CA " KIX" 587 . C parsed_5u4k 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.2 162.2 . " KIX" 587 . N " KIX" 587 . CA " KIX" 587 . C " KIX" 588 . N parsed_5u4k 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.5 -31.5 . " KIX" 588 . C " KIX" 589 . N " KIX" 589 . CA " KIX" 589 . C parsed_5u4k 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.7 187.3 . " KIX" 589 . N " KIX" 589 . CA " KIX" 589 . C " KIX" 590 . N parsed_5u4k 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -44.1 . " KIX" 590 . C " KIX" 591 . N " KIX" 591 . CA " KIX" 591 . C parsed_5u4k 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.5 -8.9 . " KIX" 591 . N " KIX" 591 . CA " KIX" 591 . C " KIX" 592 . N parsed_5u4k 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . " KIX" 591 . C " KIX" 592 . N " KIX" 592 . CA " KIX" 592 . C parsed_5u4k 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.4 -13.4 . " KIX" 592 . N " KIX" 592 . CA " KIX" 592 . C " KIX" 593 . N parsed_5u4k 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.6 -50.6 . " KIX" 592 . C " KIX" 593 . N " KIX" 593 . CA " KIX" 593 . C parsed_5u4k 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.4 -3.4 . " KIX" 593 . N " KIX" 593 . CA " KIX" 593 . C " KIX" 594 . N parsed_5u4k 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 -83.0 . " KIX" 593 . C " KIX" 594 . N " KIX" 594 . CA " KIX" 594 . C parsed_5u4k 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.9 20.7 . " KIX" 594 . N " KIX" 594 . CA " KIX" 594 . C " KIX" 595 . N parsed_5u4k 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -70.2 . " KIX" 594 . C " KIX" 595 . N " KIX" 595 . CA " KIX" 595 . C parsed_5u4k 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.7 171.9 . " KIX" 595 . N " KIX" 595 . CA " KIX" 595 . C " KIX" 596 . N parsed_5u4k 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -55.2 . " KIX" 595 . C " KIX" 596 . N " KIX" 596 . CA " KIX" 596 . C parsed_5u4k 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.7 183.7 . " KIX" 596 . N " KIX" 596 . CA " KIX" 596 . C " KIX" 597 . N parsed_5u4k 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.4 -38.4 . " KIX" 596 . C " KIX" 597 . N " KIX" 597 . CA " KIX" 597 . C parsed_5u4k 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . " KIX" 597 . N " KIX" 597 . CA " KIX" 597 . C " KIX" 598 . N parsed_5u4k 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . " KIX" 597 . C " KIX" 598 . N " KIX" 598 . CA " KIX" 598 . C parsed_5u4k 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . " KIX" 598 . N " KIX" 598 . CA " KIX" 598 . C " KIX" 599 . N parsed_5u4k 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . " KIX" 598 . C " KIX" 599 . N " KIX" 599 . CA " KIX" 599 . C parsed_5u4k 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 -23.3 . " KIX" 599 . N " KIX" 599 . CA " KIX" 599 . C " KIX" 600 . N parsed_5u4k 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . " KIX" 599 . C " KIX" 600 . N " KIX" 600 . CA " KIX" 600 . C parsed_5u4k 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 -22.2 . " KIX" 600 . N " KIX" 600 . CA " KIX" 600 . C " KIX" 601 . N parsed_5u4k 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . " KIX" 600 . C " KIX" 601 . N " KIX" 601 . CA " KIX" 601 . C parsed_5u4k 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.1 -18.1 . " KIX" 601 . N " KIX" 601 . CA " KIX" 601 . C " KIX" 602 . N parsed_5u4k 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . " KIX" 601 . C " KIX" 602 . N " KIX" 602 . CA " KIX" 602 . C parsed_5u4k 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . " KIX" 602 . N " KIX" 602 . CA " KIX" 602 . C " KIX" 603 . N parsed_5u4k 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . " KIX" 602 . C " KIX" 603 . N " KIX" 603 . CA " KIX" 603 . C parsed_5u4k 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -22.3 . " KIX" 603 . N " KIX" 603 . CA " KIX" 603 . C " KIX" 604 . N parsed_5u4k 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . " KIX" 603 . C " KIX" 604 . N " KIX" 604 . CA " KIX" 604 . C parsed_5u4k 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -24.2 . " KIX" 604 . N " KIX" 604 . CA " KIX" 604 . C " KIX" 605 . N parsed_5u4k 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.9 -44.9 . " KIX" 604 . C " KIX" 605 . N " KIX" 605 . CA " KIX" 605 . C parsed_5u4k 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -18.9 . " KIX" 605 . N " KIX" 605 . CA " KIX" 605 . C " KIX" 606 . N parsed_5u4k 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . " KIX" 605 . C " KIX" 606 . N " KIX" 606 . CA " KIX" 606 . C parsed_5u4k 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -20.2 . " KIX" 606 . N " KIX" 606 . CA " KIX" 606 . C " KIX" 607 . N parsed_5u4k 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . " KIX" 606 . C " KIX" 607 . N " KIX" 607 . CA " KIX" 607 . C parsed_5u4k 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -25.2 . " KIX" 607 . N " KIX" 607 . CA " KIX" 607 . C " KIX" 608 . N parsed_5u4k 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . " KIX" 607 . C " KIX" 608 . N " KIX" 608 . CA " KIX" 608 . C parsed_5u4k 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.8 -20.8 . " KIX" 608 . N " KIX" 608 . CA " KIX" 608 . C " KIX" 609 . N parsed_5u4k 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . " KIX" 608 . C " KIX" 609 . N " KIX" 609 . CA " KIX" 609 . C parsed_5u4k 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . " KIX" 609 . N " KIX" 609 . CA " KIX" 609 . C " KIX" 610 . N parsed_5u4k 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.4 -54.4 . " KIX" 609 . C " KIX" 610 . N " KIX" 610 . CA " KIX" 610 . C parsed_5u4k 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -12.7 . " KIX" 610 . N " KIX" 610 . CA " KIX" 610 . C " KIX" 611 . N parsed_5u4k 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.2 -59.2 . " KIX" 610 . C " KIX" 611 . N " KIX" 611 . CA " KIX" 611 . C parsed_5u4k 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -13.5 . " KIX" 611 . N " KIX" 611 . CA " KIX" 611 . C " KIX" 612 . N parsed_5u4k 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -111.0 . " KIX" 611 . C " KIX" 612 . N " KIX" 612 . CA " KIX" 612 . C parsed_5u4k 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.9 115.7 . " KIX" 612 . N " KIX" 612 . CA " KIX" 612 . C " KIX" 613 . N parsed_5u4k 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . " KIX" 612 . C " KIX" 613 . N " KIX" 613 . CA " KIX" 613 . C parsed_5u4k 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 165.0 . " KIX" 613 . N " KIX" 613 . CA " KIX" 613 . C " KIX" 614 . N parsed_5u4k 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -48.0 . " KIX" 613 . C " KIX" 614 . N " KIX" 614 . CA " KIX" 614 . C parsed_5u4k 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.5 172.7 . " KIX" 614 . N " KIX" 614 . CA " KIX" 614 . C " KIX" 615 . N parsed_5u4k 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.4 -40.4 . " KIX" 615 . C " KIX" 616 . N " KIX" 616 . CA " KIX" 616 . C parsed_5u4k 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 160.6 . " KIX" 616 . N " KIX" 616 . CA " KIX" 616 . C " KIX" 617 . N parsed_5u4k 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -37.7 . " KIX" 616 . C " KIX" 617 . N " KIX" 617 . CA " KIX" 617 . C parsed_5u4k 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . " KIX" 617 . N " KIX" 617 . CA " KIX" 617 . C " KIX" 618 . N parsed_5u4k 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . " KIX" 617 . C " KIX" 618 . N " KIX" 618 . CA " KIX" 618 . C parsed_5u4k 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.4 -8.4 . " KIX" 618 . N " KIX" 618 . CA " KIX" 618 . C " KIX" 619 . N parsed_5u4k 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . " KIX" 618 . C " KIX" 619 . N " KIX" 619 . CA " KIX" 619 . C parsed_5u4k 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.2 -8.2 . " KIX" 619 . N " KIX" 619 . CA " KIX" 619 . C " KIX" 620 . N parsed_5u4k 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.1 -51.1 . " KIX" 619 . C " KIX" 620 . N " KIX" 620 . CA " KIX" 620 . C parsed_5u4k 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.7 2.3 . " KIX" 620 . N " KIX" 620 . CA " KIX" 620 . C " KIX" 621 . N parsed_5u4k 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.3 -70.3 . " KIX" 620 . C " KIX" 621 . N " KIX" 621 . CA " KIX" 621 . C parsed_5u4k 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 14.0 . " KIX" 621 . N " KIX" 621 . CA " KIX" 621 . C " KIX" 622 . N parsed_5u4k 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.7 -51.7 . " KIX" 621 . C " KIX" 622 . N " KIX" 622 . CA " KIX" 622 . C parsed_5u4k 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.2 167.0 . " KIX" 622 . N " KIX" 622 . CA " KIX" 622 . C " KIX" 623 . N parsed_5u4k 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . " KIX" 622 . C " KIX" 623 . N " KIX" 623 . CA " KIX" 623 . C parsed_5u4k 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.3 -14.3 . " KIX" 623 . N " KIX" 623 . CA " KIX" 623 . C " KIX" 624 . N parsed_5u4k 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . " KIX" 623 . C " KIX" 624 . N " KIX" 624 . CA " KIX" 624 . C parsed_5u4k 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . " KIX" 624 . N " KIX" 624 . CA " KIX" 624 . C " KIX" 625 . N parsed_5u4k 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.7 -49.7 . " KIX" 624 . C " KIX" 625 . N " KIX" 625 . CA " KIX" 625 . C parsed_5u4k 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 -14.9 . " KIX" 625 . N " KIX" 625 . CA " KIX" 625 . C " KIX" 626 . N parsed_5u4k 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . " KIX" 625 . C " KIX" 626 . N " KIX" 626 . CA " KIX" 626 . C parsed_5u4k 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.6 -21.6 . " KIX" 626 . N " KIX" 626 . CA " KIX" 626 . C " KIX" 627 . N parsed_5u4k 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.3 -47.3 . " KIX" 626 . C " KIX" 627 . N " KIX" 627 . CA " KIX" 627 . C parsed_5u4k 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . " KIX" 627 . N " KIX" 627 . CA " KIX" 627 . C " KIX" 628 . N parsed_5u4k 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . " KIX" 627 . C " KIX" 628 . N " KIX" 628 . CA " KIX" 628 . C parsed_5u4k 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . " KIX" 628 . N " KIX" 628 . CA " KIX" 628 . C " KIX" 629 . N parsed_5u4k 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . " KIX" 628 . C " KIX" 629 . N " KIX" 629 . CA " KIX" 629 . C parsed_5u4k 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.9 -24.9 . " KIX" 629 . N " KIX" 629 . CA " KIX" 629 . C " KIX" 630 . N parsed_5u4k 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . " KIX" 629 . C " KIX" 630 . N " KIX" 630 . CA " KIX" 630 . C parsed_5u4k 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 -19.3 . " KIX" 630 . N " KIX" 630 . CA " KIX" 630 . C " KIX" 631 . N parsed_5u4k 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . " KIX" 630 . C " KIX" 631 . N " KIX" 631 . CA " KIX" 631 . C parsed_5u4k 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.3 -24.3 . " KIX" 631 . N " KIX" 631 . CA " KIX" 631 . C " KIX" 632 . N parsed_5u4k 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.3 -43.3 . " KIX" 631 . C " KIX" 632 . N " KIX" 632 . CA " KIX" 632 . C parsed_5u4k 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.9 -21.9 . " KIX" 632 . N " KIX" 632 . CA " KIX" 632 . C " KIX" 633 . N parsed_5u4k 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . " KIX" 632 . C " KIX" 633 . N " KIX" 633 . CA " KIX" 633 . C parsed_5u4k 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . " KIX" 633 . N " KIX" 633 . CA " KIX" 633 . C " KIX" 634 . N parsed_5u4k 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . " KIX" 633 . C " KIX" 634 . N " KIX" 634 . CA " KIX" 634 . C parsed_5u4k 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -23.8 . " KIX" 634 . N " KIX" 634 . CA " KIX" 634 . C " KIX" 635 . N parsed_5u4k 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . " KIX" 634 . C " KIX" 635 . N " KIX" 635 . CA " KIX" 635 . C parsed_5u4k 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -22.4 . " KIX" 635 . N " KIX" 635 . CA " KIX" 635 . C " KIX" 636 . N parsed_5u4k 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.3 -41.3 . " KIX" 635 . C " KIX" 636 . N " KIX" 636 . CA " KIX" 636 . C parsed_5u4k 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.7 -21.7 . " KIX" 636 . N " KIX" 636 . CA " KIX" 636 . C " KIX" 637 . N parsed_5u4k 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . " KIX" 636 . C " KIX" 637 . N " KIX" 637 . CA " KIX" 637 . C parsed_5u4k 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . " KIX" 637 . N " KIX" 637 . CA " KIX" 637 . C " KIX" 638 . N parsed_5u4k 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . " KIX" 637 . C " KIX" 638 . N " KIX" 638 . CA " KIX" 638 . C parsed_5u4k 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . " KIX" 638 . N " KIX" 638 . CA " KIX" 638 . C " KIX" 639 . N parsed_5u4k 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . " KIX" 638 . C " KIX" 639 . N " KIX" 639 . CA " KIX" 639 . C parsed_5u4k 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -21.1 . " KIX" 639 . N " KIX" 639 . CA " KIX" 639 . C " KIX" 640 . N parsed_5u4k 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.2 -42.2 . " KIX" 639 . C " KIX" 640 . N " KIX" 640 . CA " KIX" 640 . C parsed_5u4k 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -25.2 . " KIX" 640 . N " KIX" 640 . CA " KIX" 640 . C " KIX" 641 . N parsed_5u4k 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . " KIX" 640 . C " KIX" 641 . N " KIX" 641 . CA " KIX" 641 . C parsed_5u4k 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.3 -13.3 . " KIX" 641 . N " KIX" 641 . CA " KIX" 641 . C " KIX" 642 . N parsed_5u4k 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -56.0 . " KIX" 641 . C " KIX" 642 . N " KIX" 642 . CA " KIX" 642 . C parsed_5u4k 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.8 -5.8 . " KIX" 642 . N " KIX" 642 . CA " KIX" 642 . C " KIX" 643 . N parsed_5u4k 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.1 -75.3 . " KIX" 643 . C " KIX" 644 . N " KIX" 644 . CA " KIX" 644 . C parsed_5u4k 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.7 15.5 . " KIX" 644 . N " KIX" 644 . CA " KIX" 644 . C " KIX" 645 . N parsed_5u4k 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.5 -133.5 . " KIX" 644 . C " KIX" 645 . N " KIX" 645 . CA " KIX" 645 . C parsed_5u4k 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 147.7 187.7 . " KIX" 645 . N " KIX" 645 . CA " KIX" 645 . C " KIX" 646 . N parsed_5u4k 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . " KIX" 645 . C " KIX" 646 . N " KIX" 646 . CA " KIX" 646 . C parsed_5u4k 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . " KIX" 646 . N " KIX" 646 . CA " KIX" 646 . C " KIX" 647 . N parsed_5u4k 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.3 -40.3 . " KIX" 646 . C " KIX" 647 . N " KIX" 647 . CA " KIX" 647 . C parsed_5u4k 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . " KIX" 647 . N " KIX" 647 . CA " KIX" 647 . C " KIX" 648 . N parsed_5u4k 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . " KIX" 647 . C " KIX" 648 . N " KIX" 648 . CA " KIX" 648 . C parsed_5u4k 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.5 -17.5 . " KIX" 648 . N " KIX" 648 . CA " KIX" 648 . C " KIX" 649 . N parsed_5u4k 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.2 -41.2 . " KIX" 648 . C " KIX" 649 . N " KIX" 649 . CA " KIX" 649 . C parsed_5u4k 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -25.5 . " KIX" 649 . N " KIX" 649 . CA " KIX" 649 . C " KIX" 650 . N parsed_5u4k 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . " KIX" 649 . C " KIX" 650 . N " KIX" 650 . CA " KIX" 650 . C parsed_5u4k 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . " KIX" 650 . N " KIX" 650 . CA " KIX" 650 . C " KIX" 651 . N parsed_5u4k 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -44.4 . " KIX" 650 . C " KIX" 651 . N " KIX" 651 . CA " KIX" 651 . C parsed_5u4k 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 -23.3 . " KIX" 651 . N " KIX" 651 . CA " KIX" 651 . C " KIX" 652 . N parsed_5u4k 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -43.5 . " KIX" 651 . C " KIX" 652 . N " KIX" 652 . CA " KIX" 652 . C parsed_5u4k 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.2 -22.2 . " KIX" 652 . N " KIX" 652 . CA " KIX" 652 . C " KIX" 653 . N parsed_5u4k 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . " KIX" 652 . C " KIX" 653 . N " KIX" 653 . CA " KIX" 653 . C parsed_5u4k 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.6 -23.6 . " KIX" 653 . N " KIX" 653 . CA " KIX" 653 . C " KIX" 654 . N parsed_5u4k 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.9 -43.9 . " KIX" 653 . C " KIX" 654 . N " KIX" 654 . CA " KIX" 654 . C parsed_5u4k 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . " KIX" 654 . N " KIX" 654 . CA " KIX" 654 . C " KIX" 655 . N parsed_5u4k 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . " KIX" 654 . C " KIX" 655 . N " KIX" 655 . CA " KIX" 655 . C parsed_5u4k 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . " KIX" 655 . N " KIX" 655 . CA " KIX" 655 . C " KIX" 656 . N parsed_5u4k 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . " KIX" 655 . C " KIX" 656 . N " KIX" 656 . CA " KIX" 656 . C parsed_5u4k 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . " KIX" 656 . N " KIX" 656 . CA " KIX" 656 . C " KIX" 657 . N parsed_5u4k 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . " KIX" 656 . C " KIX" 657 . N " KIX" 657 . CA " KIX" 657 . C parsed_5u4k 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.7 -24.7 . " KIX" 657 . N " KIX" 657 . CA " KIX" 657 . C " KIX" 658 . N parsed_5u4k 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . " KIX" 657 . C " KIX" 658 . N " KIX" 658 . CA " KIX" 658 . C parsed_5u4k 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.4 -18.4 . " KIX" 658 . N " KIX" 658 . CA " KIX" 658 . C " KIX" 659 . N parsed_5u4k 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . " KIX" 658 . C " KIX" 659 . N " KIX" 659 . CA " KIX" 659 . C parsed_5u4k 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -23.4 . " KIX" 659 . N " KIX" 659 . CA " KIX" 659 . C " KIX" 660 . N parsed_5u4k 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -44.1 . " KIX" 659 . C " KIX" 660 . N " KIX" 660 . CA " KIX" 660 . C parsed_5u4k 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.6 -23.6 . " KIX" 660 . N " KIX" 660 . CA " KIX" 660 . C " KIX" 661 . N parsed_5u4k 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . " KIX" 660 . C " KIX" 661 . N " KIX" 661 . CA " KIX" 661 . C parsed_5u4k 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . " KIX" 661 . N " KIX" 661 . CA " KIX" 661 . C " KIX" 662 . N parsed_5u4k 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . " KIX" 661 . C " KIX" 662 . N " KIX" 662 . CA " KIX" 662 . C parsed_5u4k 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 -20.6 . " KIX" 662 . N " KIX" 662 . CA " KIX" 662 . C " KIX" 663 . N parsed_5u4k 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . " KIX" 662 . C " KIX" 663 . N " KIX" 663 . CA " KIX" 663 . C parsed_5u4k 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . " KIX" 663 . N " KIX" 663 . CA " KIX" 663 . C " KIX" 664 . N parsed_5u4k 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . " KIX" 663 . C " KIX" 664 . N " KIX" 664 . CA " KIX" 664 . C parsed_5u4k 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . " KIX" 664 . N " KIX" 664 . CA " KIX" 664 . C " KIX" 665 . N parsed_5u4k 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . " KIX" 664 . C " KIX" 665 . N " KIX" 665 . CA " KIX" 665 . C parsed_5u4k 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . " KIX" 665 . N " KIX" 665 . CA " KIX" 665 . C " KIX" 666 . N parsed_5u4k 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . " KIX" 665 . C " KIX" 666 . N " KIX" 666 . CA " KIX" 666 . C parsed_5u4k 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.8 -20.8 . " KIX" 666 . N " KIX" 666 . CA " KIX" 666 . C " KIX" 667 . N parsed_5u4k 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . " KIX" 666 . C " KIX" 667 . N " KIX" 667 . CA " KIX" 667 . C parsed_5u4k 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 -18.5 . " KIX" 667 . N " KIX" 667 . CA " KIX" 667 . C " KIX" 668 . N parsed_5u4k 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . " KIX" 667 . C " KIX" 668 . N " KIX" 668 . CA " KIX" 668 . C parsed_5u4k 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.9 -15.9 . " KIX" 668 . N " KIX" 668 . CA " KIX" 668 . C " KIX" 669 . N parsed_5u4k 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -51.0 . " KIX" 668 . C " KIX" 669 . N " KIX" 669 . CA " KIX" 669 . C parsed_5u4k 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.3 -7.3 . " KIX" 669 . N " KIX" 669 . CA " KIX" 669 . C " KIX" 670 . N parsed_5u4k 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.6 -59.0 . " KIX" 669 . C " KIX" 670 . N " KIX" 670 . CA " KIX" 670 . C parsed_5u4k 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 6.1 . " KIX" 670 . N " KIX" 670 . CA " KIX" 670 . C " KIX" 671 . N parsed_5u4k 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.6 -50.6 . " KIX" 587 . C " KIX" 588 . N " KIX" 588 . CA " KIX" 588 . C parsed_5u4k 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.4 166.2 . " KIX" 588 . N " KIX" 588 . CA " KIX" 588 . C " KIX" 589 . N parsed_5u4k 1
163 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.6 -39.6 . " KIX" 589 . C " KIX" 590 . N " KIX" 590 . CA " KIX" 590 . C parsed_5u4k 1
164 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . " KIX" 590 . N " KIX" 590 . CA " KIX" 590 . C " KIX" 591 . N parsed_5u4k 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 error margins are set to conservative default values of double the standard deviation
observed in TALOS-N. capped at a minimum of +/-20 degree.
REMARK Phi/Psi Angles From 'Strong' Predictions
;
2 1 5 51 parsed_5u4k 1
2 "REMARK Phi/Psi Angles From 'Generous' Predictions" 327 1 327 53 parsed_5u4k 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 5: dihedrals_KIX.tbl" 1 1 1 38 parsed_5u4k 1
stop_
save_
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