NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
616384 |
5vj8   |
30284 | cing | 2-parsed | STAR | entry | full | 266 |
data_5vj8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5vj8
_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_5vj8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5vj8
_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 5vj8 "Master copy" parsed_5vj8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5vj8
_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 5vj8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5vj8 1
1 5vj8.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 162 parsed_5vj8 1
1 5vj8.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 67 parsed_5vj8 1
1 5vj8.mr . . XPLOR/CNS 4 distance NOE simple 37 parsed_5vj8 1
1 5vj8.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5vj8 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_5vj8
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER MEMBRANE PROTEIN 19-APR-17 5VJ8
*TITLE BACKBONE STRUCTURE OF THE YERSINIA PESTIS OUTER MEMBRANE PROTEIN AIL
*TITLE 2 IN PHOSPHOLIPID BILAYER NANODISC
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ADHESION INVASION LOCUS;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: ATTACHMENT PROTEIN;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS;
*SOURCE 3 ORGANISM_TAXID: 632;
*SOURCE 4 GENE: AVJ24_14645, AVO31_14870;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3)
*KEYWDS ADHESION INVASION LOCUS, NANODISC, MEMBRANE PROTEIN, BETA-BARREL
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR S.K.DUTTA,Y.YONG,F.M.MARASSI
*REVDAT 1 17-MAY-17 5VJ8 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5vj8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -82.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5vj8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 172.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5vj8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -97.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5vj8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 165.0 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5vj8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -91.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5vj8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 173.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5vj8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -109.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5vj8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 189.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5vj8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -217.0 -81.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5vj8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 217.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5vj8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -69.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5vj8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 157.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5vj8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -74.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5vj8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.0 205.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5vj8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -49.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5vj8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.0 182.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5vj8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -44.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_5vj8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 174.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_5vj8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -218.0 -78.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_5vj8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 227.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_5vj8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -98.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_5vj8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 132.0 188.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_5vj8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -87.0 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_5vj8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 155.0 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_5vj8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -70.0 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_5vj8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.0 175.0 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_5vj8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.0 -68.0 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_5vj8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 173.0 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_5vj8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -71.0 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_5vj8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 147.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_5vj8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -88.0 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_5vj8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 165.0 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_5vj8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -84.0 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_5vj8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 160.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_5vj8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.0 -87.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_5vj8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 217.0 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_5vj8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -92.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_5vj8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 173.0 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_5vj8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.0 -103.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_5vj8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 185.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_5vj8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -93.0 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_5vj8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 177.0 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_5vj8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -85.0 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_5vj8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 149.0 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_5vj8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 -90.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_5vj8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 143.0 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_5vj8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -89.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_5vj8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 185.0 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_5vj8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -88.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_5vj8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 172.0 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_5vj8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -61.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_5vj8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 188.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_5vj8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -51.0 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_5vj8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 164.0 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_5vj8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -98.0 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_5vj8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 178.0 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_5vj8 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -89.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_5vj8 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 174.0 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_5vj8 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -129.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_5vj8 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.0 181.0 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_5vj8 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -87.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_5vj8 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.0 178.0 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_5vj8 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.0 -75.0 . . 74 . C . 75 . N . 75 . CA . 75 . C parsed_5vj8 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146.0 186.0 . . 75 . N . 75 . CA . 75 . C . 76 . N parsed_5vj8 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -52.0 . . 77 . C . 78 . N . 78 . CA . 78 . C parsed_5vj8 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 152.0 . . 78 . N . 78 . CA . 78 . C . 79 . N parsed_5vj8 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -52.0 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_5vj8 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.0 137.0 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_5vj8 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.0 -67.0 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_5vj8 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.0 141.0 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_5vj8 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 -62.0 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_5vj8 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_5vj8 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -223.0 -99.0 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_5vj8 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 224.0 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_5vj8 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38.0 78.0 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_5vj8 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 63.0 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_5vj8 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -61.0 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_5vj8 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 32.0 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_5vj8 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -72.0 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_5vj8 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.0 192.0 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_5vj8 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -164.0 -84.0 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_5vj8 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 160.0 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_5vj8 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -81.0 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_5vj8 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 183.0 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_5vj8 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 -82.0 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_5vj8 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.0 183.0 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_5vj8 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -171.0 -71.0 . . 88 . C . 89 . N . 89 . CA . 89 . C parsed_5vj8 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 170.0 . . 89 . N . 89 . CA . 89 . C . 90 . N parsed_5vj8 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -100.0 . . 89 . C . 90 . N . 90 . CA . 90 . C parsed_5vj8 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 175.0 . . 90 . N . 90 . CA . 90 . C . 91 . N parsed_5vj8 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.0 -72.0 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_5vj8 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.0 180.0 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_5vj8 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -65.0 . . 92 . C . 93 . N . 93 . CA . 93 . C parsed_5vj8 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.0 203.0 . . 93 . N . 93 . CA . 93 . C . 94 . N parsed_5vj8 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.0 -62.0 . . 93 . C . 94 . N . 94 . CA . 94 . C parsed_5vj8 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 166.0 . . 94 . N . 94 . CA . 94 . C . 95 . N parsed_5vj8 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.3 -88.5 . . 94 . C . 95 . N . 95 . CA . 95 . C parsed_5vj8 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.9 158.7 . . 95 . N . 95 . CA . 95 . C . 96 . N parsed_5vj8 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.3 -59.9 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_5vj8 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.2 168.4 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_5vj8 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -70.0 . . 113 . C . 114 . N . 114 . CA . 114 . C parsed_5vj8 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55.0 195.0 . . 114 . N . 114 . CA . 114 . C . 115 . N parsed_5vj8 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -51.0 . . 114 . C . 115 . N . 115 . CA . 115 . C parsed_5vj8 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 156.0 . . 115 . N . 115 . CA . 115 . C . 116 . N parsed_5vj8 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.0 -64.0 . . 115 . C . 116 . N . 116 . CA . 116 . C parsed_5vj8 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 179.0 . . 116 . N . 116 . CA . 116 . C . 117 . N parsed_5vj8 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -149.0 -101.0 . . 116 . C . 117 . N . 117 . CA . 117 . C parsed_5vj8 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 184.0 . . 117 . N . 117 . CA . 117 . C . 118 . N parsed_5vj8 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -224.0 -96.0 . . 117 . C . 118 . N . 118 . CA . 118 . C parsed_5vj8 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 222.0 . . 118 . N . 118 . CA . 118 . C . 119 . N parsed_5vj8 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -196.0 -80.0 . . 118 . C . 119 . N . 119 . CA . 119 . C parsed_5vj8 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 195.0 . . 119 . N . 119 . CA . 119 . C . 120 . N parsed_5vj8 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -193.0 -53.0 . . 119 . C . 120 . N . 120 . CA . 120 . C parsed_5vj8 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143.0 191.0 . . 120 . N . 120 . CA . 120 . C . 121 . N parsed_5vj8 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -69.0 . . 120 . C . 121 . N . 121 . CA . 121 . C parsed_5vj8 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.0 187.0 . . 121 . N . 121 . CA . 121 . C . 122 . N parsed_5vj8 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -65.0 . . 121 . C . 122 . N . 122 . CA . 122 . C parsed_5vj8 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 155.0 . . 122 . N . 122 . CA . 122 . C . 123 . N parsed_5vj8 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 -85.0 . . 122 . C . 123 . N . 123 . CA . 123 . C parsed_5vj8 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 146.0 . . 123 . N . 123 . CA . 123 . C . 124 . N parsed_5vj8 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -46.0 . . 123 . C . 124 . N . 124 . CA . 124 . C parsed_5vj8 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.0 174.0 . . 124 . N . 124 . CA . 124 . C . 125 . N parsed_5vj8 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -46.0 . . 129 . C . 130 . N . 130 . CA . 130 . C parsed_5vj8 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 176.0 . . 130 . N . 130 . CA . 130 . C . 131 . N parsed_5vj8 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -71.0 . . 130 . C . 131 . N . 131 . CA . 131 . C parsed_5vj8 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.0 153.0 . . 131 . N . 131 . CA . 131 . C . 132 . N parsed_5vj8 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -72.0 . . 131 . C . 132 . N . 132 . CA . 132 . C parsed_5vj8 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 160.0 . . 132 . N . 132 . CA . 132 . C . 133 . N parsed_5vj8 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -59.0 . . 132 . C . 133 . N . 133 . CA . 133 . C parsed_5vj8 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.0 179.0 . . 133 . N . 133 . CA . 133 . C . 134 . N parsed_5vj8 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.0 -47.0 . . 133 . C . 134 . N . 134 . CA . 134 . C parsed_5vj8 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 174.0 . . 134 . N . 134 . CA . 134 . C . 135 . N parsed_5vj8 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -102.0 . . 134 . C . 135 . N . 135 . CA . 135 . C parsed_5vj8 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 165.0 . . 135 . N . 135 . CA . 135 . C . 136 . N parsed_5vj8 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.0 -96.0 . . 135 . C . 136 . N . 136 . CA . 136 . C parsed_5vj8 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 165.0 . . 136 . N . 136 . CA . 136 . C . 137 . N parsed_5vj8 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -110.0 . . 136 . C . 137 . N . 137 . CA . 137 . C parsed_5vj8 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.0 161.0 . . 137 . N . 137 . CA . 137 . C . 138 . N parsed_5vj8 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -60.0 . . 137 . C . 138 . N . 138 . CA . 138 . C parsed_5vj8 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 156.0 . . 138 . N . 138 . CA . 138 . C . 139 . N parsed_5vj8 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -67.0 . . 138 . C . 139 . N . 139 . CA . 139 . C parsed_5vj8 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 158.0 . . 139 . N . 139 . CA . 139 . C . 140 . N parsed_5vj8 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -42.0 . . 139 . C . 140 . N . 140 . CA . 140 . C parsed_5vj8 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 158.0 . . 140 . N . 140 . CA . 140 . C . 141 . N parsed_5vj8 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -55.0 . . 144 . C . 145 . N . 145 . CA . 145 . C parsed_5vj8 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 163.0 . . 145 . N . 145 . CA . 145 . C . 146 . N parsed_5vj8 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -79.0 . . 145 . C . 146 . N . 146 . CA . 146 . C parsed_5vj8 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 140.0 . . 146 . N . 146 . CA . 146 . C . 147 . N parsed_5vj8 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -79.0 . . 146 . C . 147 . N . 147 . CA . 147 . C parsed_5vj8 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.0 150.0 . . 147 . N . 147 . CA . 147 . C . 148 . N parsed_5vj8 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.0 -109.0 . . 147 . C . 148 . N . 148 . CA . 148 . C parsed_5vj8 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 139.0 179.0 . . 148 . N . 148 . CA . 148 . C . 149 . N parsed_5vj8 1
153 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.0 -105.0 . . 148 . C . 149 . N . 149 . CA . 149 . C parsed_5vj8 1
154 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 174.0 . . 149 . N . 149 . CA . 149 . C . 150 . N parsed_5vj8 1
155 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.0 -49.0 . . 149 . C . 150 . N . 150 . CA . 150 . C parsed_5vj8 1
156 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 154.0 . . 150 . N . 150 . CA . 150 . C . 151 . N parsed_5vj8 1
157 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -208.0 -68.0 . . 150 . C . 151 . N . 151 . CA . 151 . C parsed_5vj8 1
158 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 198.0 . . 151 . N . 151 . CA . 151 . C . 152 . N parsed_5vj8 1
159 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -114.0 . . 151 . C . 152 . N . 152 . CA . 152 . C parsed_5vj8 1
160 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.0 178.0 . . 152 . N . 152 . CA . 152 . C . 153 . N parsed_5vj8 1
161 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -217.0 -77.0 . . 152 . C . 153 . N . 153 . CA . 153 . C parsed_5vj8 1
162 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 207.0 . . 153 . N . 153 . CA . 153 . C . 154 . N parsed_5vj8 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
;
! Backbone dihedral angles for Y. pestis Ail in DMPC/DMPG nanodiscs.
! Derived from TALOS analysis of HN, N, CA chemical shifts
5 S -118.000 136.000 18.000 18.000 66.570 0.894 10 6 Good
;
2 1 5 71 parsed_5vj8 1
2 "6 I -119.000 133.000 11.000 16.000 49.350 0.903 10 9 Good" 11 1 11 71 parsed_5vj8 1
3 "7 S -123.000 139.000 16.000 17.000 50.050 0.911 10 9 Good" 17 1 17 71 parsed_5vj8 1
4 "8 I -129.000 153.000 7.000 18.000 51.470 0.899 10 9 Good" 23 1 23 71 parsed_5vj8 1
5 "9 G -149.000 147.000 34.000 36.000 52.780 0.884 10 9 Good" 29 1 29 71 parsed_5vj8 1
6 "10 Y -117.000 135.000 24.000 11.000 53.730 0.872 10 9 Good" 35 1 35 71 parsed_5vj8 1
7 "11 A -118.000 149.000 22.000 28.000 56.720 0.849 10 9 Good" 41 1 41 71 parsed_5vj8 1
8 "12 Q -89.000 140.000 20.000 21.000 115.570 0.837 10 6 Good" 47 1 47 71 parsed_5vj8 1
9 "27 R -110.000 142.000 33.000 16.000 82.720 0.799 10 7 Good" 53 1 53 71 parsed_5vj8 1
10 "28 G -148.000 161.000 37.000 33.000 56.940 0.848 9 9 Good" 59 1 59 71 parsed_5vj8 1
11 "29 F -134.000 160.000 18.000 14.000 53.140 0.898 10 9 Good" 65 1 65 71 parsed_5vj8 1
12 "30 N -129.000 135.000 21.000 9.000 52.190 0.909 10 9 Good" 71 1 71 71 parsed_5vj8 1
13 "31 L -110.000 143.000 20.000 16.000 57.290 0.909 10 9 Good" 77 1 77 71 parsed_5vj8 1
14 "32 K -126.000 139.000 29.000 17.000 51.430 0.906 10 9 Good" 83 1 83 71 parsed_5vj8 1
15 "33 Y -117.000 127.000 23.000 10.000 51.980 0.904 10 9 Good" 89 1 89 71 parsed_5vj8 1
16 "34 R -114.000 133.000 13.000 16.000 51.870 0.889 10 9 Good" 95 1 95 71 parsed_5vj8 1
17 "35 Y -120.000 132.000 18.000 14.000 102.680 0.881 10 6 Good" 101 1 101 71 parsed_5vj8 1
18 "42 G -137.000 147.000 25.000 39.000 74.550 0.769 8 7 Good" 107 1 107 71 parsed_5vj8 1
19 "43 V -126.000 145.000 17.000 14.000 51.980 0.869 10 9 Good" 113 1 113 71 parsed_5vj8 1
20 "44 I -129.000 151.000 13.000 17.000 53.860 0.908 10 9 Good" 119 1 119 71 parsed_5vj8 1
21 "45 G -131.000 145.000 19.000 16.000 53.070 0.909 10 9 Good" 125 1 125 71 parsed_5vj8 1
22 "46 S -115.000 129.000 15.000 10.000 51.400 0.907 10 9 Good" 131 1 131 71 parsed_5vj8 1
23 "47 F -112.000 123.000 11.000 7.000 52.690 0.909 10 9 Good" 137 1 137 71 parsed_5vj8 1
24 "48 A -121.000 141.000 16.000 22.000 60.440 0.917 10 9 Good" 143 1 143 71 parsed_5vj8 1
25 "49 Q -134.000 148.000 23.000 12.000 56.120 0.902 10 9 Good" 149 1 149 71 parsed_5vj8 1
26 "50 T -103.000 142.000 21.000 23.000 103.690 0.893 10 6 Good" 155 1 155 71 parsed_5vj8 1
27 "70 Y -111.000 142.000 30.000 11.000 75.980 0.904 10 6 Good" 161 1 161 71 parsed_5vj8 1
28 "71 Y -130.000 146.000 16.000 16.000 51.770 0.911 10 9 Good" 167 1 167 71 parsed_5vj8 1
29 "72 S -125.000 150.000 18.000 12.000 50.560 0.924 10 9 Good" 173 1 173 71 parsed_5vj8 1
30 "73 V -149.000 161.000 9.000 7.000 50.640 0.923 10 9 Good" 179 1 179 71 parsed_5vj8 1
31 "74 T -131.000 156.000 22.000 11.000 53.950 0.916 10 9 Good" 185 1 185 71 parsed_5vj8 1
32 "75 A -133.000 166.000 29.000 7.000 82.770 0.911 10 8 Good" 191 1 191 71 parsed_5vj8 1
33 "78 V -108.000 132.000 28.000 10.000 107.760 0.881 9 7 Good" 197 1 197 71 parsed_5vj8 1
34 "79 F -104.000 117.000 26.000 10.000 62.520 0.882 10 9 Good" 203 1 203 71 parsed_5vj8 1
35 "80 R -89.000 115.000 11.000 13.000 58.950 0.872 10 9 Good" 209 1 209 71 parsed_5vj8 1
36 "81 I -88.000 -43.000 13.000 8.000 64.280 0.856 10 9 Good" 215 1 215 71 parsed_5vj8 1
37 "82 N -161.000 162.000 31.000 16.000 81.060 0.848 10 9 Good" 221 1 221 71 parsed_5vj8 1
38 "83 E 58.000 41.000 5.000 11.000 74.420 0.852 10 9 Good" 227 1 227 71 parsed_5vj8 1
39 "84 Y -101.000 -4.000 20.000 18.000 59.350 0.854 10 9 Good" 233 1 233 71 parsed_5vj8 1
40 "85 V -124.000 144.000 26.000 14.000 59.770 0.864 10 9 Good" 239 1 239 71 parsed_5vj8 1
41 "86 S -124.000 136.000 20.000 12.000 49.850 0.868 10 9 Good" 245 1 245 71 parsed_5vj8 1
42 "87 L -125.000 149.000 22.000 17.000 48.770 0.873 10 9 Good" 251 1 251 71 parsed_5vj8 1
43 "88 Y -132.000 163.000 25.000 10.000 51.750 0.877 10 9 Good" 257 1 257 71 parsed_5vj8 1
44 "89 G -121.000 150.000 25.000 10.000 54.120 0.882 10 9 Good" 263 1 263 71 parsed_5vj8 1
45 "90 L -138.000 155.000 19.000 7.000 50.000 0.888 10 9 Good" 269 1 269 71 parsed_5vj8 1
46 "91 L -124.000 154.000 26.000 13.000 50.320 0.876 10 9 Good" 275 1 275 71 parsed_5vj8 1
47 "93 A -115.000 145.000 25.000 29.000 53.920 0.857 10 9 Good" 281 1 281 71 parsed_5vj8 1
48 "94 G -122.000 142.000 30.000 12.000 50.080 0.851 10 9 Good" 287 1 287 71 parsed_5vj8 1
49 "95 H -119.856 131.778 15.676 13.427 52.991 0.822 10 9 Good" 293 1 293 71 parsed_5vj8 1
50 "96 G -106.595 136.762 23.330 15.807 104.813 0.803 10 6 Good" 299 1 299 71 parsed_5vj8 1
51 "114 S -114.000 125.000 22.000 44.000 79.140 0.804 8 7 Ambiguous" 305 1 305 76 parsed_5vj8 1
52 "115 L -101.000 118.000 25.000 19.000 52.240 0.851 10 9 Good" 311 1 311 71 parsed_5vj8 1
53 "116 A -108.000 147.000 22.000 16.000 52.490 0.887 10 9 Good" 317 1 317 71 parsed_5vj8 1
54 "117 Y -125.000 152.000 12.000 16.000 52.590 0.876 10 9 Good" 323 1 323 71 parsed_5vj8 1
55 "118 G -160.000 170.000 32.000 26.000 55.170 0.792 9 9 Good" 329 1 329 71 parsed_5vj8 1
56 "119 A -138.000 161.000 29.000 17.000 58.030 0.751 8 8 Ambiguous" 335 1 335 76 parsed_5vj8 1
57 "120 G -123.000 167.000 64.000 12.000 60.170 0.761 8 8 Ambiguous" 341 1 341 76 parsed_5vj8 1
58 "121 L -123.000 163.000 27.000 12.000 71.790 0.893 10 8 Good" 347 1 347 71 parsed_5vj8 1
59 "122 Q -119.000 135.000 27.000 10.000 64.120 0.892 10 9 Good" 353 1 353 71 parsed_5vj8 1
60 "123 F -109.000 124.000 12.000 11.000 58.140 0.880 10 9 Good" 359 1 359 71 parsed_5vj8 1
61 "124 N -100.000 116.000 27.000 29.000 94.230 0.829 10 7 Good" 365 1 365 71 parsed_5vj8 1
62 "130 V -104.000 142.000 29.000 17.000 69.450 0.830 9 7 Good" 371 1 371 71 parsed_5vj8 1
63 "131 I -117.000 127.000 23.000 13.000 49.810 0.862 10 9 Good" 377 1 377 71 parsed_5vj8 1
64 "132 D -106.000 130.000 17.000 15.000 48.140 0.853 10 9 Good" 383 1 383 71 parsed_5vj8 1
65 "133 A -105.000 153.000 23.000 13.000 54.660 0.832 10 9 Good" 389 1 389 71 parsed_5vj8 1
66 "134 S -117.000 148.000 37.000 13.000 53.040 0.838 10 9 Good" 395 1 395 71 parsed_5vj8 1
67 "135 Y -128.000 137.000 13.000 14.000 51.420 0.867 9 9 Good" 401 1 401 71 parsed_5vj8 1
68 "136 E -116.000 141.000 9.000 12.000 51.410 0.890 10 9 Good" 407 1 407 71 parsed_5vj8 1
69 "137 Y -132.000 141.000 11.000 9.000 50.110 0.884 10 9 Good" 413 1 413 71 parsed_5vj8 1
70 "138 S -100.000 130.000 20.000 13.000 50.650 0.852 10 9 Good" 419 1 419 71 parsed_5vj8 1
71 "139 K -109.000 132.000 21.000 13.000 52.000 0.835 10 9 Good" 425 1 425 71 parsed_5vj8 1
72 "140 L -100.000 136.000 29.000 11.000 105.150 0.825 10 6 Good" 431 1 431 71 parsed_5vj8 1
73 "145 V -103.000 135.000 24.000 14.000 73.590 0.824 10 6 Good" 437 1 437 71 parsed_5vj8 1
74 "146 G -105.000 116.000 13.000 12.000 53.460 0.843 10 9 Good" 443 1 443 71 parsed_5vj8 1
75 "147 T -107.000 126.000 14.000 12.000 57.400 0.893 10 9 Good" 449 1 449 71 parsed_5vj8 1
76 "148 W -137.000 159.000 14.000 7.000 52.980 0.897 10 9 Good" 455 1 455 71 parsed_5vj8 1
77 "149 M -137.000 148.000 16.000 13.000 48.740 0.887 10 9 Good" 461 1 461 71 parsed_5vj8 1
78 "150 L -111.000 130.000 31.000 12.000 49.880 0.872 10 9 Good" 467 1 467 71 parsed_5vj8 1
79 "151 G -138.000 162.000 36.000 18.000 51.210 0.868 10 9 Good" 473 1 473 71 parsed_5vj8 1
80 "152 A -138.000 158.000 12.000 10.000 59.580 0.875 10 8 Good" 479 1 479 71 parsed_5vj8 1
81 "153 G -147.000 165.000 42.000 21.000 86.710 0.839 10 8 Good" 485 1 485 71 parsed_5vj8 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 1: cdih_talos_v2.tbl" 1 1 1 38 parsed_5vj8 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5vj8
_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_5vj8 1
2 1 . . . parsed_5vj8 1
3 1 . . . parsed_5vj8 1
4 1 . . . parsed_5vj8 1
5 1 . . . parsed_5vj8 1
6 1 . . . parsed_5vj8 1
7 1 . . . parsed_5vj8 1
8 1 . . . parsed_5vj8 1
9 1 . . . parsed_5vj8 1
10 1 . . . parsed_5vj8 1
11 1 . . . parsed_5vj8 1
12 1 . . . parsed_5vj8 1
13 1 . . . parsed_5vj8 1
14 1 . . . parsed_5vj8 1
15 1 . . . parsed_5vj8 1
16 1 . . . parsed_5vj8 1
17 1 . . . parsed_5vj8 1
18 1 . . . parsed_5vj8 1
19 1 . . . parsed_5vj8 1
20 1 . . . parsed_5vj8 1
21 1 . . . parsed_5vj8 1
22 1 . . . parsed_5vj8 1
23 1 . . . parsed_5vj8 1
24 1 . . . parsed_5vj8 1
25 1 . . . parsed_5vj8 1
26 1 . . . parsed_5vj8 1
27 1 . . . parsed_5vj8 1
28 1 . . . parsed_5vj8 1
29 1 . . . parsed_5vj8 1
30 1 . . . parsed_5vj8 1
31 1 . . . parsed_5vj8 1
32 1 . . . parsed_5vj8 1
33 1 . . . parsed_5vj8 1
34 1 . . . parsed_5vj8 1
35 1 . . . parsed_5vj8 1
36 1 . . . parsed_5vj8 1
37 1 . . . parsed_5vj8 1
38 1 . . . parsed_5vj8 1
39 1 . . . parsed_5vj8 1
40 1 . . . parsed_5vj8 1
41 1 . . . parsed_5vj8 1
42 1 . . . parsed_5vj8 1
43 1 . . . parsed_5vj8 1
44 1 . . . parsed_5vj8 1
45 1 . . . parsed_5vj8 1
46 1 . . . parsed_5vj8 1
47 1 . . . parsed_5vj8 1
48 1 . . . parsed_5vj8 1
49 1 . . . parsed_5vj8 1
50 1 . . . parsed_5vj8 1
51 1 . . . parsed_5vj8 1
52 1 . . . parsed_5vj8 1
53 1 . . . parsed_5vj8 1
54 1 . . . parsed_5vj8 1
55 1 . . . parsed_5vj8 1
56 1 . . . parsed_5vj8 1
57 1 . . . parsed_5vj8 1
58 1 . . . parsed_5vj8 1
59 1 . . . parsed_5vj8 1
60 1 . . . parsed_5vj8 1
61 1 . . . parsed_5vj8 1
62 1 . . . parsed_5vj8 1
63 1 . . . parsed_5vj8 1
64 1 . . . parsed_5vj8 1
65 1 . . . parsed_5vj8 1
66 1 . . . parsed_5vj8 1
67 1 . . . parsed_5vj8 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 . . . . . . . . . 5 . HN parsed_5vj8 1
1 1 2 . . . . . . . . . 34 . O parsed_5vj8 1
2 1 1 . . . . . . . . . 7 . HN parsed_5vj8 1
2 1 2 . . . . . . . . . 32 . O parsed_5vj8 1
3 1 1 . . . . . . . . . 9 . HN parsed_5vj8 1
3 1 2 . . . . . . . . . 30 . O parsed_5vj8 1
4 1 1 . . . . . . . . . 34 . HN parsed_5vj8 1
4 1 2 . . . . . . . . . 5 . O parsed_5vj8 1
5 1 1 . . . . . . . . . 32 . HN parsed_5vj8 1
5 1 2 . . . . . . . . . 7 . O parsed_5vj8 1
6 1 1 . . . . . . . . . 30 . HN parsed_5vj8 1
6 1 2 . . . . . . . . . 9 . O parsed_5vj8 1
7 1 1 . . . . . . . . . 49 . HN parsed_5vj8 1
7 1 2 . . . . . . . . . 29 . O parsed_5vj8 1
8 1 1 . . . . . . . . . 47 . HN parsed_5vj8 1
8 1 2 . . . . . . . . . 31 . O parsed_5vj8 1
9 1 1 . . . . . . . . . 45 . HN parsed_5vj8 1
9 1 2 . . . . . . . . . 33 . O parsed_5vj8 1
10 1 1 . . . . . . . . . 43 . HN parsed_5vj8 1
10 1 2 . . . . . . . . . 35 . O parsed_5vj8 1
11 1 1 . . . . . . . . . 31 . HN parsed_5vj8 1
11 1 2 . . . . . . . . . 47 . O parsed_5vj8 1
12 1 1 . . . . . . . . . 33 . HN parsed_5vj8 1
12 1 2 . . . . . . . . . 45 . O parsed_5vj8 1
13 1 1 . . . . . . . . . 35 . HN parsed_5vj8 1
13 1 2 . . . . . . . . . 43 . O parsed_5vj8 1
14 1 1 . . . . . . . . . 42 . HN parsed_5vj8 1
14 1 2 . . . . . . . . . 78 . O parsed_5vj8 1
15 1 1 . . . . . . . . . 44 . HN parsed_5vj8 1
15 1 2 . . . . . . . . . 76 . O parsed_5vj8 1
16 1 1 . . . . . . . . . 46 . HN parsed_5vj8 1
16 1 2 . . . . . . . . . 74 . O parsed_5vj8 1
17 1 1 . . . . . . . . . 48 . HN parsed_5vj8 1
17 1 2 . . . . . . . . . 72 . O parsed_5vj8 1
18 1 1 . . . . . . . . . 50 . HN parsed_5vj8 1
18 1 2 . . . . . . . . . 70 . O parsed_5vj8 1
19 1 1 . . . . . . . . . 78 . HN parsed_5vj8 1
19 1 2 . . . . . . . . . 42 . O parsed_5vj8 1
20 1 1 . . . . . . . . . 76 . HN parsed_5vj8 1
20 1 2 . . . . . . . . . 44 . O parsed_5vj8 1
21 1 1 . . . . . . . . . 74 . HN parsed_5vj8 1
21 1 2 . . . . . . . . . 46 . O parsed_5vj8 1
22 1 1 . . . . . . . . . 72 . HN parsed_5vj8 1
22 1 2 . . . . . . . . . 48 . O parsed_5vj8 1
23 1 1 . . . . . . . . . 71 . HN parsed_5vj8 1
23 1 2 . . . . . . . . . 95 . O parsed_5vj8 1
24 1 1 . . . . . . . . . 73 . HN parsed_5vj8 1
24 1 2 . . . . . . . . . 93 . O parsed_5vj8 1
25 1 1 . . . . . . . . . 75 . HN parsed_5vj8 1
25 1 2 . . . . . . . . . 91 . O parsed_5vj8 1
26 1 1 . . . . . . . . . 79 . HN parsed_5vj8 1
26 1 2 . . . . . . . . . 87 . O parsed_5vj8 1
27 1 1 . . . . . . . . . 81 . HN parsed_5vj8 1
27 1 2 . . . . . . . . . 85 . O parsed_5vj8 1
28 1 1 . . . . . . . . . 95 . HN parsed_5vj8 1
28 1 2 . . . . . . . . . 71 . O parsed_5vj8 1
29 1 1 . . . . . . . . . 93 . HN parsed_5vj8 1
29 1 2 . . . . . . . . . 73 . O parsed_5vj8 1
30 1 1 . . . . . . . . . 91 . HN parsed_5vj8 1
30 1 2 . . . . . . . . . 75 . O parsed_5vj8 1
31 1 1 . . . . . . . . . 89 . HN parsed_5vj8 1
31 1 2 . . . . . . . . . 77 . O parsed_5vj8 1
32 1 1 . . . . . . . . . 87 . HN parsed_5vj8 1
32 1 2 . . . . . . . . . 79 . O parsed_5vj8 1
33 1 1 . . . . . . . . . 86 . HN parsed_5vj8 1
33 1 2 . . . . . . . . . 122 . O parsed_5vj8 1
34 1 1 . . . . . . . . . 88 . HN parsed_5vj8 1
34 1 2 . . . . . . . . . 120 . O parsed_5vj8 1
35 1 1 . . . . . . . . . 90 . HN parsed_5vj8 1
35 1 2 . . . . . . . . . 118 . O parsed_5vj8 1
36 1 1 . . . . . . . . . 92 . HN parsed_5vj8 1
36 1 2 . . . . . . . . . 116 . O parsed_5vj8 1
37 1 1 . . . . . . . . . 94 . HN parsed_5vj8 1
37 1 2 . . . . . . . . . 114 . O parsed_5vj8 1
38 1 1 . . . . . . . . . 122 . HN parsed_5vj8 1
38 1 2 . . . . . . . . . 86 . O parsed_5vj8 1
39 1 1 . . . . . . . . . 120 . HN parsed_5vj8 1
39 1 2 . . . . . . . . . 88 . O parsed_5vj8 1
40 1 1 . . . . . . . . . 118 . HN parsed_5vj8 1
40 1 2 . . . . . . . . . 90 . O parsed_5vj8 1
41 1 1 . . . . . . . . . 116 . HN parsed_5vj8 1
41 1 2 . . . . . . . . . 92 . O parsed_5vj8 1
42 1 1 . . . . . . . . . 117 . HN parsed_5vj8 1
42 1 2 . . . . . . . . . 137 . O parsed_5vj8 1
43 1 1 . . . . . . . . . 119 . HN parsed_5vj8 1
43 1 2 . . . . . . . . . 135 . O parsed_5vj8 1
44 1 1 . . . . . . . . . 121 . HN parsed_5vj8 1
44 1 2 . . . . . . . . . 133 . O parsed_5vj8 1
45 1 1 . . . . . . . . . 123 . HN parsed_5vj8 1
45 1 2 . . . . . . . . . 131 . O parsed_5vj8 1
46 1 1 . . . . . . . . . 137 . HN parsed_5vj8 1
46 1 2 . . . . . . . . . 117 . O parsed_5vj8 1
47 1 1 . . . . . . . . . 135 . HN parsed_5vj8 1
47 1 2 . . . . . . . . . 119 . O parsed_5vj8 1
48 1 1 . . . . . . . . . 133 . HN parsed_5vj8 1
48 1 2 . . . . . . . . . 121 . O parsed_5vj8 1
49 1 1 . . . . . . . . . 131 . HN parsed_5vj8 1
49 1 2 . . . . . . . . . 123 . O parsed_5vj8 1
50 1 1 . . . . . . . . . 130 . HN parsed_5vj8 1
50 1 2 . . . . . . . . . 153 . O parsed_5vj8 1
51 1 1 . . . . . . . . . 132 . HN parsed_5vj8 1
51 1 2 . . . . . . . . . 151 . O parsed_5vj8 1
52 1 1 . . . . . . . . . 134 . HN parsed_5vj8 1
52 1 2 . . . . . . . . . 149 . O parsed_5vj8 1
53 1 1 . . . . . . . . . 136 . HN parsed_5vj8 1
53 1 2 . . . . . . . . . 147 . O parsed_5vj8 1
54 1 1 . . . . . . . . . 138 . HN parsed_5vj8 1
54 1 2 . . . . . . . . . 145 . O parsed_5vj8 1
55 1 1 . . . . . . . . . 153 . HN parsed_5vj8 1
55 1 2 . . . . . . . . . 130 . O parsed_5vj8 1
56 1 1 . . . . . . . . . 151 . HN parsed_5vj8 1
56 1 2 . . . . . . . . . 132 . O parsed_5vj8 1
57 1 1 . . . . . . . . . 149 . HN parsed_5vj8 1
57 1 2 . . . . . . . . . 134 . O parsed_5vj8 1
58 1 1 . . . . . . . . . 147 . HN parsed_5vj8 1
58 1 2 . . . . . . . . . 136 . O parsed_5vj8 1
59 1 1 . . . . . . . . . 145 . HN parsed_5vj8 1
59 1 2 . . . . . . . . . 138 . O parsed_5vj8 1
60 1 1 . . . . . . . . . 148 . HN parsed_5vj8 1
60 1 2 . . . . . . . . . 12 . O parsed_5vj8 1
61 1 1 . . . . . . . . . 150 . HN parsed_5vj8 1
61 1 2 . . . . . . . . . 10 . O parsed_5vj8 1
62 1 1 . . . . . . . . . 152 . HN parsed_5vj8 1
62 1 2 . . . . . . . . . 8 . O parsed_5vj8 1
63 1 1 . . . . . . . . . 154 . HN parsed_5vj8 1
63 1 2 . . . . . . . . . 6 . O parsed_5vj8 1
64 1 1 . . . . . . . . . 12 . HN parsed_5vj8 1
64 1 2 . . . . . . . . . 148 . O parsed_5vj8 1
65 1 1 . . . . . . . . . 10 . HN parsed_5vj8 1
65 1 2 . . . . . . . . . 150 . O parsed_5vj8 1
66 1 1 . . . . . . . . . 8 . HN parsed_5vj8 1
66 1 2 . . . . . . . . . 152 . O parsed_5vj8 1
67 1 1 . . . . . . . . . 6 . HN parsed_5vj8 1
67 1 2 . . . . . . . . . 154 . O parsed_5vj8 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 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
2 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
3 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
4 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
5 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
6 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
7 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
8 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
9 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
10 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
11 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
12 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
13 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
14 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
15 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
16 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
17 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
18 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
19 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
20 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
21 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
22 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
23 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
24 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
25 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
26 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
27 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
28 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
29 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
30 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
31 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
32 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
33 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
34 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
35 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
36 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
37 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
38 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
39 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
40 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
41 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
42 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
43 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
44 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
45 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
46 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
47 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
48 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
49 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
50 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
51 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
52 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
53 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
54 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
55 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
56 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
57 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
58 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
59 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
60 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
61 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
62 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
63 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
64 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
65 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
66 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 1
67 1 . . . . . 2.100 1.800 2.400 parsed_5vj8 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
;
! Amide HN-O hydrogen bonds for Y. pestis Ail in DMPC/DMPG nanodiscs
! Inferred from amide HN-HN NOEs and the h/D exchange data.
beta 1 and beta 2
=====================================================================
;
2 1 6 71 parsed_5vj8 1
2
;
beta 2 and beta 3
=====================================================================
;
14 1 15 71 parsed_5vj8 1
3
;
beta 3 and beta 4
=====================================================================
;
24 1 25 71 parsed_5vj8 1
4
;
beta 4 and beta 5
=====================================================================
;
36 1 37 71 parsed_5vj8 1
5
;
!!assign (resid 85 and name HN) (resid 82 and name O) 2.100 0.300 0.300
beta 5 and beta 6
=====================================================================
;
48 1 51 71 parsed_5vj8 1
6
;
beta 6 and beta 7
=====================================================================
;
62 1 63 71 parsed_5vj8 1
7
;
beta 7 and beta 8
=====================================================================
;
73 1 74 71 parsed_5vj8 1
8
;
beta 8 and beta 1
=====================================================================
;
86 1 87 71 parsed_5vj8 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 2: hbn_170228c.tbl" 1 1 1 36 parsed_5vj8 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5vj8
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_5vj8 2
2 1 . . . parsed_5vj8 2
3 1 . . . parsed_5vj8 2
4 1 . . . parsed_5vj8 2
5 1 . . . parsed_5vj8 2
6 1 . . . parsed_5vj8 2
7 1 . . . parsed_5vj8 2
8 1 . . . parsed_5vj8 2
9 1 . . . parsed_5vj8 2
10 1 . . . parsed_5vj8 2
11 1 . . . parsed_5vj8 2
12 1 . . . parsed_5vj8 2
13 1 . . . parsed_5vj8 2
14 1 . . . parsed_5vj8 2
15 1 . . . parsed_5vj8 2
16 1 . . . parsed_5vj8 2
17 1 . . . parsed_5vj8 2
18 1 . . . parsed_5vj8 2
19 1 . . . parsed_5vj8 2
20 1 . . . parsed_5vj8 2
21 1 . . . parsed_5vj8 2
22 1 . . . parsed_5vj8 2
23 1 . . . parsed_5vj8 2
24 1 . . . parsed_5vj8 2
25 1 . . . parsed_5vj8 2
26 1 . . . parsed_5vj8 2
27 1 . . . parsed_5vj8 2
28 1 . . . parsed_5vj8 2
29 1 . . . parsed_5vj8 2
30 1 . . . parsed_5vj8 2
31 1 . . . parsed_5vj8 2
32 1 . . . parsed_5vj8 2
33 1 . . . parsed_5vj8 2
34 1 . . . parsed_5vj8 2
35 1 . . . parsed_5vj8 2
36 1 . . . parsed_5vj8 2
37 1 . . . parsed_5vj8 2
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 . . . . . . . . . 5 . HN parsed_5vj8 2
1 1 2 . . . . . . . . . 34 . HN parsed_5vj8 2
2 1 1 . . . . . . . . . 7 . HN parsed_5vj8 2
2 1 2 . . . . . . . . . 32 . HN parsed_5vj8 2
3 1 1 . . . . . . . . . 9 . HN parsed_5vj8 2
3 1 2 . . . . . . . . . 30 . HN parsed_5vj8 2
4 1 1 . . . . . . . . . 11 . HN parsed_5vj8 2
4 1 2 . . . . . . . . . 28 . HN parsed_5vj8 2
5 1 1 . . . . . . . . . 29 . HN parsed_5vj8 2
5 1 2 . . . . . . . . . 49 . HN parsed_5vj8 2
6 1 1 . . . . . . . . . 31 . HN parsed_5vj8 2
6 1 2 . . . . . . . . . 47 . HN parsed_5vj8 2
7 1 1 . . . . . . . . . 33 . HN parsed_5vj8 2
7 1 2 . . . . . . . . . 45 . HN parsed_5vj8 2
8 1 1 . . . . . . . . . 35 . HN parsed_5vj8 2
8 1 2 . . . . . . . . . 43 . HN parsed_5vj8 2
9 1 1 . . . . . . . . . 42 . HN parsed_5vj8 2
9 1 2 . . . . . . . . . 78 . HN parsed_5vj8 2
10 1 1 . . . . . . . . . 44 . HN parsed_5vj8 2
10 1 2 . . . . . . . . . 76 . HN parsed_5vj8 2
11 1 1 . . . . . . . . . 46 . HN parsed_5vj8 2
11 1 2 . . . . . . . . . 74 . HN parsed_5vj8 2
12 1 1 . . . . . . . . . 48 . HN parsed_5vj8 2
12 1 2 . . . . . . . . . 72 . HN parsed_5vj8 2
13 1 1 . . . . . . . . . 50 . HN parsed_5vj8 2
13 1 2 . . . . . . . . . 70 . HN parsed_5vj8 2
14 1 1 . . . . . . . . . 71 . HN parsed_5vj8 2
14 1 2 . . . . . . . . . 95 . HN parsed_5vj8 2
15 1 1 . . . . . . . . . 73 . HN parsed_5vj8 2
15 1 2 . . . . . . . . . 93 . HN parsed_5vj8 2
16 1 1 . . . . . . . . . 75 . HN parsed_5vj8 2
16 1 2 . . . . . . . . . 91 . HN parsed_5vj8 2
17 1 1 . . . . . . . . . 79 . HN parsed_5vj8 2
17 1 2 . . . . . . . . . 87 . HN parsed_5vj8 2
18 1 1 . . . . . . . . . 81 . HN parsed_5vj8 2
18 1 2 . . . . . . . . . 85 . HN parsed_5vj8 2
19 1 1 . . . . . . . . . 82 . HN parsed_5vj8 2
19 1 2 . . . . . . . . . 84 . HN parsed_5vj8 2
20 1 1 . . . . . . . . . 86 . HN parsed_5vj8 2
20 1 2 . . . . . . . . . 122 . HN parsed_5vj8 2
21 1 1 . . . . . . . . . 88 . HN parsed_5vj8 2
21 1 2 . . . . . . . . . 120 . HN parsed_5vj8 2
22 1 1 . . . . . . . . . 90 . HN parsed_5vj8 2
22 1 2 . . . . . . . . . 118 . HN parsed_5vj8 2
23 1 1 . . . . . . . . . 92 . HN parsed_5vj8 2
23 1 2 . . . . . . . . . 116 . HN parsed_5vj8 2
24 1 1 . . . . . . . . . 94 . HN parsed_5vj8 2
24 1 2 . . . . . . . . . 114 . HN parsed_5vj8 2
25 1 1 . . . . . . . . . 117 . HN parsed_5vj8 2
25 1 2 . . . . . . . . . 137 . HN parsed_5vj8 2
26 1 1 . . . . . . . . . 119 . HN parsed_5vj8 2
26 1 2 . . . . . . . . . 135 . HN parsed_5vj8 2
27 1 1 . . . . . . . . . 121 . HN parsed_5vj8 2
27 1 2 . . . . . . . . . 133 . HN parsed_5vj8 2
28 1 1 . . . . . . . . . 123 . HN parsed_5vj8 2
28 1 2 . . . . . . . . . 131 . HN parsed_5vj8 2
29 1 1 . . . . . . . . . 130 . HN parsed_5vj8 2
29 1 2 . . . . . . . . . 153 . HN parsed_5vj8 2
30 1 1 . . . . . . . . . 132 . HN parsed_5vj8 2
30 1 2 . . . . . . . . . 151 . HN parsed_5vj8 2
31 1 1 . . . . . . . . . 134 . HN parsed_5vj8 2
31 1 2 . . . . . . . . . 149 . HN parsed_5vj8 2
32 1 1 . . . . . . . . . 136 . HN parsed_5vj8 2
32 1 2 . . . . . . . . . 147 . HN parsed_5vj8 2
33 1 1 . . . . . . . . . 138 . HN parsed_5vj8 2
33 1 2 . . . . . . . . . 145 . HN parsed_5vj8 2
34 1 1 . . . . . . . . . 148 . HN parsed_5vj8 2
34 1 2 . . . . . . . . . 12 . HN parsed_5vj8 2
35 1 1 . . . . . . . . . 150 . HN parsed_5vj8 2
35 1 2 . . . . . . . . . 10 . HN parsed_5vj8 2
36 1 1 . . . . . . . . . 152 . HN parsed_5vj8 2
36 1 2 . . . . . . . . . 8 . HN parsed_5vj8 2
37 1 1 . . . . . . . . . 154 . HN parsed_5vj8 2
37 1 2 . . . . . . . . . 6 . HN parsed_5vj8 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
2 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
3 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
4 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
5 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
6 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
7 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
8 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
9 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
10 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
11 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
12 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
13 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
14 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
15 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
16 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
17 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
18 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
19 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
20 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
21 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
22 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
23 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
24 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
25 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
26 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
27 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
28 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
29 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
30 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
31 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
32 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
33 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
34 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
35 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
36 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
37 1 . . . . . 3.0 1.8 4.2 parsed_5vj8 2
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
;
! NOE distances for Y. pestis Ail in DMPC/DMPG nanodiscs
beta 1 and 2
=====================================================================
;
2 1 5 71 parsed_5vj8 2
2
;
beta 2 and beta 3
=====================================================================
;
11 1 12 71 parsed_5vj8 2
3
;
beta 3 and beta 4
=====================================================================
;
18 1 19 71 parsed_5vj8 2
4
;
beta 4 and beta 5
=====================================================================
;
26 1 27 71 parsed_5vj8 2
5
;
beta 5 and beta 6
=====================================================================
;
35 1 36 71 parsed_5vj8 2
6
;
beta 6 and beta 7
=====================================================================
;
44 1 45 71 parsed_5vj8 2
7
;
beta 7 and beta 8
=====================================================================
;
52 1 53 71 parsed_5vj8 2
8
;
beta 8 and beta 1
=====================================================================
;
60 1 61 71 parsed_5vj8 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 3: noe_170228b.tbl" 1 1 1 36 parsed_5vj8 2
stop_
save_
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