NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
624329 |
5ujg   |
30232 | cing | 2-parsed | STAR | entry | full | 151 |
data_5ujg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5ujg
_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_5ujg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5ujg
_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 5ujg "Master copy" parsed_5ujg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5ujg
_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 5ujg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ujg 1
1 5ujg.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 8 parsed_5ujg 1
1 5ujg.mr . . DYANA/DIANA 3 distance NOE simple 108 parsed_5ujg 1
1 5ujg.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_5ujg 1
1 5ujg.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ujg 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_5ujg
_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 CYTOKINE 17-JAN-17 5UJG
*TITLE OVGRN12-35_3S
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: GRANULIN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 30-53;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: OPISTHORCHIS VIVERRINI;
*SOURCE 4 ORGANISM_TAXID: 6198
*KEYWDS WOUND HEALING AGENT, GRANULIN, STRUCTURE FROM CYANA 3.97, CYTOKINE
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR P.BANSAL,M.SMOUT,D.WILSON,C.C.CACERES,M.DASTPEYMAN,J.SOTILLO,
*AUTHOR 2 J.SEIFERT,P.BRINDLEY,A.LOUKAS,N.DALY
*REVDAT 1 24-JAN-18 5UJG 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5ujg
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_5ujg 1
2 1 . . . parsed_5ujg 1
3 1 . . . parsed_5ujg 1
4 1 . . . parsed_5ujg 1
5 1 . . . parsed_5ujg 1
6 1 . . . parsed_5ujg 1
7 1 . . . parsed_5ujg 1
8 1 . . . parsed_5ujg 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 . . . . . . . . . 15 CYSS O parsed_5ujg 1
1 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 1
2 1 1 . . . . . . . . . 15 CYSS O parsed_5ujg 1
2 1 2 . . . . . . . . . 22 GLY N parsed_5ujg 1
3 1 1 . . . . . . . . . 22 GLY O parsed_5ujg 1
3 1 2 . . . . . . . . . 15 CYSS H parsed_5ujg 1
4 1 1 . . . . . . . . . 22 GLY O parsed_5ujg 1
4 1 2 . . . . . . . . . 15 CYSS N parsed_5ujg 1
5 1 1 . . . . . . . . . 13 THR O parsed_5ujg 1
5 1 2 . . . . . . . . . 24 CYSS H parsed_5ujg 1
6 1 1 . . . . . . . . . 13 THR O parsed_5ujg 1
6 1 2 . . . . . . . . . 24 CYSS N parsed_5ujg 1
7 1 1 . . . . . . . . . 10 PRO O parsed_5ujg 1
7 1 2 . . . . . . . . . 12 GLN H parsed_5ujg 1
8 1 1 . . . . . . . . . 10 PRO O parsed_5ujg 1
8 1 2 . . . . . . . . . 12 GLN N parsed_5ujg 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 . . . . . . . 2.2 parsed_5ujg 1
2 1 . . . . . . . 3.2 parsed_5ujg 1
3 1 . . . . . . . 2.2 parsed_5ujg 1
4 1 . . . . . . . 3.2 parsed_5ujg 1
5 1 . . . . . . . 2.2 parsed_5ujg 1
6 1 . . . . . . . 3.2 parsed_5ujg 1
7 1 . . . . . . . 2.2 parsed_5ujg 1
8 1 . . . . . . . 3.2 parsed_5ujg 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 "Restraints file 1: hbond.upl" 1 1 1 30 parsed_5ujg 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5ujg
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_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_5ujg 2
2 1 . . . parsed_5ujg 2
3 1 . . . parsed_5ujg 2
4 1 . . . parsed_5ujg 2
5 1 . . . parsed_5ujg 2
6 1 . . . parsed_5ujg 2
7 1 . . . parsed_5ujg 2
8 1 . . . parsed_5ujg 2
9 1 . . . parsed_5ujg 2
10 1 . . . parsed_5ujg 2
11 1 . . . parsed_5ujg 2
12 1 . . . parsed_5ujg 2
13 1 . . . parsed_5ujg 2
14 1 . . . parsed_5ujg 2
15 1 . . . parsed_5ujg 2
16 1 . . . parsed_5ujg 2
17 1 . . . parsed_5ujg 2
18 1 . . . parsed_5ujg 2
19 1 . . . parsed_5ujg 2
20 1 . . . parsed_5ujg 2
21 1 . . . parsed_5ujg 2
22 1 . . . parsed_5ujg 2
23 1 . . . parsed_5ujg 2
24 1 . . . parsed_5ujg 2
25 1 . . . parsed_5ujg 2
26 1 . . . parsed_5ujg 2
27 1 . . . parsed_5ujg 2
28 1 . . . parsed_5ujg 2
29 1 . . . parsed_5ujg 2
30 1 . . . parsed_5ujg 2
31 1 . . . parsed_5ujg 2
32 1 . . . parsed_5ujg 2
33 1 . . . parsed_5ujg 2
34 1 . . . parsed_5ujg 2
35 1 . . . parsed_5ujg 2
36 1 . . . parsed_5ujg 2
37 1 . . . parsed_5ujg 2
38 1 . . . parsed_5ujg 2
39 1 . . . parsed_5ujg 2
40 1 . . . parsed_5ujg 2
41 1 . . . parsed_5ujg 2
42 1 . . . parsed_5ujg 2
43 1 . . . parsed_5ujg 2
44 1 . . . parsed_5ujg 2
45 1 . . . parsed_5ujg 2
46 1 . . . parsed_5ujg 2
47 1 . . . parsed_5ujg 2
48 1 . . . parsed_5ujg 2
49 1 . . . parsed_5ujg 2
50 1 . . . parsed_5ujg 2
51 1 . . . parsed_5ujg 2
52 1 . . . parsed_5ujg 2
53 1 . . . parsed_5ujg 2
54 1 . . . parsed_5ujg 2
55 1 . . . parsed_5ujg 2
56 1 . . . parsed_5ujg 2
57 1 . . . parsed_5ujg 2
58 1 . . . parsed_5ujg 2
59 1 . . . parsed_5ujg 2
60 1 . . . parsed_5ujg 2
61 1 . . . parsed_5ujg 2
62 1 . . . parsed_5ujg 2
63 1 . . . parsed_5ujg 2
64 1 . . . parsed_5ujg 2
65 1 . . . parsed_5ujg 2
66 1 . . . parsed_5ujg 2
67 1 . . . parsed_5ujg 2
68 1 . . . parsed_5ujg 2
69 1 . . . parsed_5ujg 2
70 1 . . . parsed_5ujg 2
71 1 . . . parsed_5ujg 2
72 1 . . . parsed_5ujg 2
73 1 . . . parsed_5ujg 2
74 1 . . . parsed_5ujg 2
75 1 . . . parsed_5ujg 2
76 1 . . . parsed_5ujg 2
77 1 . . . parsed_5ujg 2
78 1 . . . parsed_5ujg 2
79 1 . . . parsed_5ujg 2
80 1 . . . parsed_5ujg 2
81 1 . . . parsed_5ujg 2
82 1 . . . parsed_5ujg 2
83 1 . . . parsed_5ujg 2
84 1 . . . parsed_5ujg 2
85 1 . . . parsed_5ujg 2
86 1 . . . parsed_5ujg 2
87 1 . . . parsed_5ujg 2
88 1 . . . parsed_5ujg 2
89 1 . . . parsed_5ujg 2
90 1 . . . parsed_5ujg 2
91 1 . . . parsed_5ujg 2
92 1 . . . parsed_5ujg 2
93 1 . . . parsed_5ujg 2
94 1 . . . parsed_5ujg 2
95 1 . . . parsed_5ujg 2
96 1 . . . parsed_5ujg 2
97 1 . . . parsed_5ujg 2
98 1 . . . parsed_5ujg 2
99 1 . . . parsed_5ujg 2
100 1 . . . parsed_5ujg 2
101 1 . . . parsed_5ujg 2
102 1 . . . parsed_5ujg 2
103 1 . . . parsed_5ujg 2
104 1 . . . parsed_5ujg 2
105 1 . . . parsed_5ujg 2
106 1 . . . parsed_5ujg 2
107 1 . . . parsed_5ujg 2
108 1 . . . parsed_5ujg 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 . . . . . . . . . 12 GLN H parsed_5ujg 2
1 1 2 . . . . . . . . . 12 GLN HB3 parsed_5ujg 2
2 1 1 . . . . . . . . . 12 GLN H parsed_5ujg 2
2 1 2 . . . . . . . . . 12 GLN HG2 parsed_5ujg 2
3 1 1 . . . . . . . . . 13 THR H parsed_5ujg 2
3 1 2 . . . . . . . . . 13 THR HG1 parsed_5ujg 2
4 1 1 . . . . . . . . . 14 CYSS H parsed_5ujg 2
4 1 2 . . . . . . . . . 14 CYSS HB2 parsed_5ujg 2
5 1 1 . . . . . . . . . 7 THR H parsed_5ujg 2
5 1 2 . . . . . . . . . 7 THR HG1 parsed_5ujg 2
6 1 1 . . . . . . . . . 9 ARG H parsed_5ujg 2
6 1 2 . . . . . . . . . 9 ARG QG parsed_5ujg 2
7 1 1 . . . . . . . . . 9 ARG H parsed_5ujg 2
7 1 2 . . . . . . . . . 9 ARG HB3 parsed_5ujg 2
8 1 1 . . . . . . . . . 5 VAL H parsed_5ujg 2
8 1 2 . . . . . . . . . 5 VAL HB parsed_5ujg 2
9 1 1 . . . . . . . . . 18 LEU H parsed_5ujg 2
9 1 2 . . . . . . . . . 18 LEU QQD parsed_5ujg 2
10 1 1 . . . . . . . . . 18 LEU H parsed_5ujg 2
10 1 2 . . . . . . . . . 18 LEU HG parsed_5ujg 2
11 1 1 . . . . . . . . . 8 CYSS HB3 parsed_5ujg 2
11 1 2 . . . . . . . . . 9 ARG H parsed_5ujg 2
12 1 1 . . . . . . . . . 12 GLN H parsed_5ujg 2
12 1 2 . . . . . . . . . 12 GLN HG3 parsed_5ujg 2
13 1 1 . . . . . . . . . 12 GLN HA parsed_5ujg 2
13 1 2 . . . . . . . . . 13 THR H parsed_5ujg 2
14 1 1 . . . . . . . . . 23 CYSS HA parsed_5ujg 2
14 1 2 . . . . . . . . . 24 CYSS H parsed_5ujg 2
15 1 1 . . . . . . . . . 12 GLN H parsed_5ujg 2
15 1 2 . . . . . . . . . 12 GLN HB2 parsed_5ujg 2
16 1 1 . . . . . . . . . 14 CYSS H parsed_5ujg 2
16 1 2 . . . . . . . . . 14 CYSS HB3 parsed_5ujg 2
17 1 1 . . . . . . . . . 7 THR H parsed_5ujg 2
17 1 2 . . . . . . . . . 7 THR HB parsed_5ujg 2
18 1 1 . . . . . . . . . 9 ARG H parsed_5ujg 2
18 1 2 . . . . . . . . . 9 ARG QD parsed_5ujg 2
19 1 1 . . . . . . . . . 9 ARG H parsed_5ujg 2
19 1 2 . . . . . . . . . 9 ARG HB2 parsed_5ujg 2
20 1 1 . . . . . . . . . 5 VAL H parsed_5ujg 2
20 1 2 . . . . . . . . . 5 VAL QG1 parsed_5ujg 2
21 1 1 . . . . . . . . . 5 VAL H parsed_5ujg 2
21 1 2 . . . . . . . . . 5 VAL QG2 parsed_5ujg 2
22 1 1 . . . . . . . . . 16 ARG H parsed_5ujg 2
22 1 2 . . . . . . . . . 16 ARG QD parsed_5ujg 2
23 1 1 . . . . . . . . . 16 ARG H parsed_5ujg 2
23 1 2 . . . . . . . . . 16 ARG HB3 parsed_5ujg 2
24 1 1 . . . . . . . . . 16 ARG H parsed_5ujg 2
24 1 2 . . . . . . . . . 16 ARG HB2 parsed_5ujg 2
25 1 1 . . . . . . . . . 15 CYSS HA parsed_5ujg 2
25 1 2 . . . . . . . . . 16 ARG H parsed_5ujg 2
26 1 1 . . . . . . . . . 3 ASP H parsed_5ujg 2
26 1 2 . . . . . . . . . 3 ASP HB3 parsed_5ujg 2
27 1 1 . . . . . . . . . 3 ASP H parsed_5ujg 2
27 1 2 . . . . . . . . . 3 ASP HB2 parsed_5ujg 2
28 1 1 . . . . . . . . . 14 CYSS HA parsed_5ujg 2
28 1 2 . . . . . . . . . 24 CYSS H parsed_5ujg 2
29 1 1 . . . . . . . . . 15 CYSS H parsed_5ujg 2
29 1 2 . . . . . . . . . 24 CYSS H parsed_5ujg 2
30 1 1 . . . . . . . . . 14 CYSS HA parsed_5ujg 2
30 1 2 . . . . . . . . . 23 CYSS HA parsed_5ujg 2
31 1 1 . . . . . . . . . 15 CYSS H parsed_5ujg 2
31 1 2 . . . . . . . . . 23 CYSS HA parsed_5ujg 2
32 1 1 . . . . . . . . . 15 CYSS H parsed_5ujg 2
32 1 2 . . . . . . . . . 21 TYR QD parsed_5ujg 2
33 1 1 . . . . . . . . . 11 GLY H parsed_5ujg 2
33 1 2 . . . . . . . . . 12 GLN H parsed_5ujg 2
34 1 1 . . . . . . . . . 15 CYSS H parsed_5ujg 2
34 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
35 1 1 . . . . . . . . . 10 PRO HB2 parsed_5ujg 2
35 1 2 . . . . . . . . . 11 GLY H parsed_5ujg 2
36 1 1 . . . . . . . . . 10 PRO HB3 parsed_5ujg 2
36 1 2 . . . . . . . . . 11 GLY H parsed_5ujg 2
37 1 1 . . . . . . . . . 21 TYR QD parsed_5ujg 2
37 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
38 1 1 . . . . . . . . . 10 PRO HA parsed_5ujg 2
38 1 2 . . . . . . . . . 11 GLY H parsed_5ujg 2
39 1 1 . . . . . . . . . 21 TYR HA parsed_5ujg 2
39 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
40 1 1 . . . . . . . . . 21 TYR HB2 parsed_5ujg 2
40 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
41 1 1 . . . . . . . . . 21 TYR HB3 parsed_5ujg 2
41 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
42 1 1 . . . . . . . . . 16 ARG HA parsed_5ujg 2
42 1 2 . . . . . . . . . 17 GLY H parsed_5ujg 2
43 1 1 . . . . . . . . . 17 GLY H parsed_5ujg 2
43 1 2 . . . . . . . . . 21 TYR HA parsed_5ujg 2
44 1 1 . . . . . . . . . 7 THR HB parsed_5ujg 2
44 1 2 . . . . . . . . . 8 CYSS H parsed_5ujg 2
45 1 1 . . . . . . . . . 3 ASP H parsed_5ujg 2
45 1 2 . . . . . . . . . 4 PRO QD parsed_5ujg 2
46 1 1 . . . . . . . . . 21 TYR HA parsed_5ujg 2
46 1 2 . . . . . . . . . 21 TYR QD parsed_5ujg 2
47 1 1 . . . . . . . . . 6 TYR HA parsed_5ujg 2
47 1 2 . . . . . . . . . 6 TYR QD parsed_5ujg 2
48 1 1 . . . . . . . . . 16 ARG HA parsed_5ujg 2
48 1 2 . . . . . . . . . 21 TYR QD parsed_5ujg 2
49 1 1 . . . . . . . . . 9 ARG HB3 parsed_5ujg 2
49 1 2 . . . . . . . . . 10 PRO HD2 parsed_5ujg 2
50 1 1 . . . . . . . . . 6 TYR H parsed_5ujg 2
50 1 2 . . . . . . . . . 7 THR HA parsed_5ujg 2
51 1 1 . . . . . . . . . 5 VAL HB parsed_5ujg 2
51 1 2 . . . . . . . . . 6 TYR H parsed_5ujg 2
52 1 1 . . . . . . . . . 5 VAL QG2 parsed_5ujg 2
52 1 2 . . . . . . . . . 6 TYR H parsed_5ujg 2
53 1 1 . . . . . . . . . 5 VAL QG1 parsed_5ujg 2
53 1 2 . . . . . . . . . 6 TYR H parsed_5ujg 2
54 1 1 . . . . . . . . . 6 TYR HA parsed_5ujg 2
54 1 2 . . . . . . . . . 7 THR H parsed_5ujg 2
55 1 1 . . . . . . . . . 6 TYR HB3 parsed_5ujg 2
55 1 2 . . . . . . . . . 7 THR H parsed_5ujg 2
56 1 1 . . . . . . . . . 6 TYR HB2 parsed_5ujg 2
56 1 2 . . . . . . . . . 7 THR H parsed_5ujg 2
57 1 1 . . . . . . . . . 7 THR HG1 parsed_5ujg 2
57 1 2 . . . . . . . . . 8 CYSS H parsed_5ujg 2
58 1 1 . . . . . . . . . 9 ARG H parsed_5ujg 2
58 1 2 . . . . . . . . . 12 GLN HB3 parsed_5ujg 2
59 1 1 . . . . . . . . . 9 ARG H parsed_5ujg 2
59 1 2 . . . . . . . . . 12 GLN HB2 parsed_5ujg 2
60 1 1 . . . . . . . . . 8 CYSS HA parsed_5ujg 2
60 1 2 . . . . . . . . . 9 ARG H parsed_5ujg 2
61 1 1 . . . . . . . . . 3 ASP HA parsed_5ujg 2
61 1 2 . . . . . . . . . 4 PRO QD parsed_5ujg 2
62 1 1 . . . . . . . . . 9 ARG HA parsed_5ujg 2
62 1 2 . . . . . . . . . 10 PRO HD3 parsed_5ujg 2
63 1 1 . . . . . . . . . 9 ARG HA parsed_5ujg 2
63 1 2 . . . . . . . . . 10 PRO HD2 parsed_5ujg 2
64 1 1 . . . . . . . . . 16 ARG HA parsed_5ujg 2
64 1 2 . . . . . . . . . 21 TYR HA parsed_5ujg 2
65 1 1 . . . . . . . . . 9 ARG HB2 parsed_5ujg 2
65 1 2 . . . . . . . . . 10 PRO HD2 parsed_5ujg 2
66 1 1 . . . . . . . . . 9 ARG QG parsed_5ujg 2
66 1 2 . . . . . . . . . 10 PRO HD2 parsed_5ujg 2
67 1 1 . . . . . . . . . 9 ARG QG parsed_5ujg 2
67 1 2 . . . . . . . . . 10 PRO HD3 parsed_5ujg 2
68 1 1 . . . . . . . . . 5 VAL HA parsed_5ujg 2
68 1 2 . . . . . . . . . 5 VAL QG1 parsed_5ujg 2
69 1 1 . . . . . . . . . 5 VAL HA parsed_5ujg 2
69 1 2 . . . . . . . . . 5 VAL QG2 parsed_5ujg 2
70 1 1 . . . . . . . . . 5 VAL H parsed_5ujg 2
70 1 2 . . . . . . . . . 6 TYR H parsed_5ujg 2
71 1 1 . . . . . . . . . 6 TYR H parsed_5ujg 2
71 1 2 . . . . . . . . . 6 TYR QD parsed_5ujg 2
72 1 1 . . . . . . . . . 6 TYR H parsed_5ujg 2
72 1 2 . . . . . . . . . 7 THR H parsed_5ujg 2
73 1 1 . . . . . . . . . 7 THR HA parsed_5ujg 2
73 1 2 . . . . . . . . . 7 THR HG1 parsed_5ujg 2
74 1 1 . . . . . . . . . 13 THR HA parsed_5ujg 2
74 1 2 . . . . . . . . . 13 THR HG1 parsed_5ujg 2
75 1 1 . . . . . . . . . 13 THR HA parsed_5ujg 2
75 1 2 . . . . . . . . . 14 CYSS H parsed_5ujg 2
76 1 1 . . . . . . . . . 13 THR HG1 parsed_5ujg 2
76 1 2 . . . . . . . . . 14 CYSS H parsed_5ujg 2
77 1 1 . . . . . . . . . 16 ARG HA parsed_5ujg 2
77 1 2 . . . . . . . . . 16 ARG QD parsed_5ujg 2
78 1 1 . . . . . . . . . 19 HIS H parsed_5ujg 2
78 1 2 . . . . . . . . . 20 GLY H parsed_5ujg 2
79 1 1 . . . . . . . . . 21 TYR H parsed_5ujg 2
79 1 2 . . . . . . . . . 21 TYR QD parsed_5ujg 2
80 1 1 . . . . . . . . . 24 CYSS H parsed_5ujg 2
80 1 2 . . . . . . . . . 24 CYSS QB parsed_5ujg 2
81 1 1 . . . . . . . . . 14 CYSS HA parsed_5ujg 2
81 1 2 . . . . . . . . . 15 CYSS H parsed_5ujg 2
82 1 1 . . . . . . . . . 8 CYSS HB2 parsed_5ujg 2
82 1 2 . . . . . . . . . 9 ARG H parsed_5ujg 2
83 1 1 . . . . . . . . . 21 TYR H parsed_5ujg 2
83 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
84 1 1 . . . . . . . . . 3 ASP H parsed_5ujg 2
84 1 2 . . . . . . . . . 3 ASP QB parsed_5ujg 2
85 1 1 . . . . . . . . . 5 VAL H parsed_5ujg 2
85 1 2 . . . . . . . . . 5 VAL QQG parsed_5ujg 2
86 1 1 . . . . . . . . . 5 VAL QQG parsed_5ujg 2
86 1 2 . . . . . . . . . 6 TYR H parsed_5ujg 2
87 1 1 . . . . . . . . . 6 TYR H parsed_5ujg 2
87 1 2 . . . . . . . . . 6 TYR QB parsed_5ujg 2
88 1 1 . . . . . . . . . 6 TYR QB parsed_5ujg 2
88 1 2 . . . . . . . . . 7 THR H parsed_5ujg 2
89 1 1 . . . . . . . . . 8 CYSS H parsed_5ujg 2
89 1 2 . . . . . . . . . 8 CYSS QB parsed_5ujg 2
90 1 1 . . . . . . . . . 8 CYSS QB parsed_5ujg 2
90 1 2 . . . . . . . . . 9 ARG H parsed_5ujg 2
91 1 1 . . . . . . . . . 9 ARG QB parsed_5ujg 2
91 1 2 . . . . . . . . . 9 ARG QD parsed_5ujg 2
92 1 1 . . . . . . . . . 9 ARG QB parsed_5ujg 2
92 1 2 . . . . . . . . . 10 PRO HD2 parsed_5ujg 2
93 1 1 . . . . . . . . . 9 ARG QB parsed_5ujg 2
93 1 2 . . . . . . . . . 10 PRO HD3 parsed_5ujg 2
94 1 1 . . . . . . . . . 10 PRO HB2 parsed_5ujg 2
94 1 2 . . . . . . . . . 11 GLY QA parsed_5ujg 2
95 1 1 . . . . . . . . . 12 GLN H parsed_5ujg 2
95 1 2 . . . . . . . . . 12 GLN QG parsed_5ujg 2
96 1 1 . . . . . . . . . 12 GLN QB parsed_5ujg 2
96 1 2 . . . . . . . . . 12 GLN QE2 parsed_5ujg 2
97 1 1 . . . . . . . . . 14 CYSS QB parsed_5ujg 2
97 1 2 . . . . . . . . . 21 TYR QD parsed_5ujg 2
98 1 1 . . . . . . . . . 15 CYSS H parsed_5ujg 2
98 1 2 . . . . . . . . . 15 CYSS QB parsed_5ujg 2
99 1 1 . . . . . . . . . 15 CYSS QB parsed_5ujg 2
99 1 2 . . . . . . . . . 16 ARG H parsed_5ujg 2
100 1 1 . . . . . . . . . 16 ARG H parsed_5ujg 2
100 1 2 . . . . . . . . . 16 ARG QG parsed_5ujg 2
101 1 1 . . . . . . . . . 19 HIS H parsed_5ujg 2
101 1 2 . . . . . . . . . 19 HIS QB parsed_5ujg 2
102 1 1 . . . . . . . . . 20 GLY QA parsed_5ujg 2
102 1 2 . . . . . . . . . 21 TYR H parsed_5ujg 2
103 1 1 . . . . . . . . . 20 GLY QA parsed_5ujg 2
103 1 2 . . . . . . . . . 21 TYR QD parsed_5ujg 2
104 1 1 . . . . . . . . . 21 TYR H parsed_5ujg 2
104 1 2 . . . . . . . . . 21 TYR QB parsed_5ujg 2
105 1 1 . . . . . . . . . 21 TYR QB parsed_5ujg 2
105 1 2 . . . . . . . . . 22 GLY H parsed_5ujg 2
106 1 1 . . . . . . . . . 22 GLY QA parsed_5ujg 2
106 1 2 . . . . . . . . . 23 CYSS H parsed_5ujg 2
107 1 1 . . . . . . . . . 23 CYSS H parsed_5ujg 2
107 1 2 . . . . . . . . . 23 CYSS QB parsed_5ujg 2
108 1 1 . . . . . . . . . 23 CYSS QB parsed_5ujg 2
108 1 2 . . . . . . . . . 24 CYSS H parsed_5ujg 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 . . . . . . . 3.58 parsed_5ujg 2
2 1 . . . . . . . 4.73 parsed_5ujg 2
3 1 . . . . . . . 4.37 parsed_5ujg 2
4 1 . . . . . . . 3.43 parsed_5ujg 2
5 1 . . . . . . . 4.41 parsed_5ujg 2
6 1 . . . . . . . 3.44 parsed_5ujg 2
7 1 . . . . . . . 3.84 parsed_5ujg 2
8 1 . . . . . . . 3.83 parsed_5ujg 2
9 1 . . . . . . . 4.85 parsed_5ujg 2
10 1 . . . . . . . 4.20 parsed_5ujg 2
11 1 . . . . . . . 3.66 parsed_5ujg 2
12 1 . . . . . . . 4.73 parsed_5ujg 2
13 1 . . . . . . . 3.45 parsed_5ujg 2
14 1 . . . . . . . 3.25 parsed_5ujg 2
15 1 . . . . . . . 3.58 parsed_5ujg 2
16 1 . . . . . . . 3.43 parsed_5ujg 2
17 1 . . . . . . . 4.00 parsed_5ujg 2
18 1 . . . . . . . 4.20 parsed_5ujg 2
19 1 . . . . . . . 3.84 parsed_5ujg 2
20 1 . . . . . . . 4.30 parsed_5ujg 2
21 1 . . . . . . . 4.30 parsed_5ujg 2
22 1 . . . . . . . 5.50 parsed_5ujg 2
23 1 . . . . . . . 3.93 parsed_5ujg 2
24 1 . . . . . . . 3.93 parsed_5ujg 2
25 1 . . . . . . . 3.06 parsed_5ujg 2
26 1 . . . . . . . 4.13 parsed_5ujg 2
27 1 . . . . . . . 4.13 parsed_5ujg 2
28 1 . . . . . . . 4.81 parsed_5ujg 2
29 1 . . . . . . . 5.44 parsed_5ujg 2
30 1 . . . . . . . 4.28 parsed_5ujg 2
31 1 . . . . . . . 4.40 parsed_5ujg 2
32 1 . . . . . . . 5.50 parsed_5ujg 2
33 1 . . . . . . . 3.42 parsed_5ujg 2
34 1 . . . . . . . 4.33 parsed_5ujg 2
35 1 . . . . . . . 3.84 parsed_5ujg 2
36 1 . . . . . . . 4.27 parsed_5ujg 2
37 1 . . . . . . . 4.69 parsed_5ujg 2
38 1 . . . . . . . 2.68 parsed_5ujg 2
39 1 . . . . . . . 3.11 parsed_5ujg 2
40 1 . . . . . . . 4.71 parsed_5ujg 2
41 1 . . . . . . . 4.71 parsed_5ujg 2
42 1 . . . . . . . 3.22 parsed_5ujg 2
43 1 . . . . . . . 4.98 parsed_5ujg 2
44 1 . . . . . . . 4.12 parsed_5ujg 2
45 1 . . . . . . . 4.88 parsed_5ujg 2
46 1 . . . . . . . 4.33 parsed_5ujg 2
47 1 . . . . . . . 4.00 parsed_5ujg 2
48 1 . . . . . . . 4.92 parsed_5ujg 2
49 1 . . . . . . . 3.94 parsed_5ujg 2
50 1 . . . . . . . 5.37 parsed_5ujg 2
51 1 . . . . . . . 4.60 parsed_5ujg 2
52 1 . . . . . . . 4.97 parsed_5ujg 2
53 1 . . . . . . . 4.97 parsed_5ujg 2
54 1 . . . . . . . 3.38 parsed_5ujg 2
55 1 . . . . . . . 4.82 parsed_5ujg 2
56 1 . . . . . . . 4.82 parsed_5ujg 2
57 1 . . . . . . . 4.18 parsed_5ujg 2
58 1 . . . . . . . 5.29 parsed_5ujg 2
59 1 . . . . . . . 5.29 parsed_5ujg 2
60 1 . . . . . . . 3.22 parsed_5ujg 2
61 1 . . . . . . . 3.00 parsed_5ujg 2
62 1 . . . . . . . 2.80 parsed_5ujg 2
63 1 . . . . . . . 3.44 parsed_5ujg 2
64 1 . . . . . . . 4.07 parsed_5ujg 2
65 1 . . . . . . . 3.94 parsed_5ujg 2
66 1 . . . . . . . 3.98 parsed_5ujg 2
67 1 . . . . . . . 4.85 parsed_5ujg 2
68 1 . . . . . . . 4.02 parsed_5ujg 2
69 1 . . . . . . . 4.02 parsed_5ujg 2
70 1 . . . . . . . 4.77 parsed_5ujg 2
71 1 . . . . . . . 4.17 parsed_5ujg 2
72 1 . . . . . . . 5.18 parsed_5ujg 2
73 1 . . . . . . . 3.71 parsed_5ujg 2
74 1 . . . . . . . 3.71 parsed_5ujg 2
75 1 . . . . . . . 3.04 parsed_5ujg 2
76 1 . . . . . . . 3.87 parsed_5ujg 2
77 1 . . . . . . . 4.59 parsed_5ujg 2
78 1 . . . . . . . 4.93 parsed_5ujg 2
79 1 . . . . . . . 4.31 parsed_5ujg 2
80 1 . . . . . . . 3.70 parsed_5ujg 2
81 1 . . . . . . . 3.23 parsed_5ujg 2
82 1 . . . . . . . 3.66 parsed_5ujg 2
83 1 . . . . . . . 4.62 parsed_5ujg 2
84 1 . . . . . . . 3.45 parsed_5ujg 2
85 1 . . . . . . . 3.53 parsed_5ujg 2
86 1 . . . . . . . 4.32 parsed_5ujg 2
87 1 . . . . . . . 3.54 parsed_5ujg 2
88 1 . . . . . . . 4.07 parsed_5ujg 2
89 1 . . . . . . . 3.61 parsed_5ujg 2
90 1 . . . . . . . 3.11 parsed_5ujg 2
91 1 . . . . . . . 3.60 parsed_5ujg 2
92 1 . . . . . . . 3.34 parsed_5ujg 2
93 1 . . . . . . . 4.21 parsed_5ujg 2
94 1 . . . . . . . 4.58 parsed_5ujg 2
95 1 . . . . . . . 4.14 parsed_5ujg 2
96 1 . . . . . . . 3.26 parsed_5ujg 2
97 1 . . . . . . . 5.26 parsed_5ujg 2
98 1 . . . . . . . 3.52 parsed_5ujg 2
99 1 . . . . . . . 3.42 parsed_5ujg 2
100 1 . . . . . . . 4.04 parsed_5ujg 2
101 1 . . . . . . . 3.53 parsed_5ujg 2
102 1 . . . . . . . 3.10 parsed_5ujg 2
103 1 . . . . . . . 5.15 parsed_5ujg 2
104 1 . . . . . . . 3.49 parsed_5ujg 2
105 1 . . . . . . . 3.85 parsed_5ujg 2
106 1 . . . . . . . 2.97 parsed_5ujg 2
107 1 . . . . . . . 3.26 parsed_5ujg 2
108 1 . . . . . . . 4.39 parsed_5ujg 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 "Restraints file 2: final1.upl" 1 1 1 31 parsed_5ujg 2
2 "peak 1 #SUP 0.97 #QF 0.97" 2 49 2 74 parsed_5ujg 2
3 "peak 4 #SUP 1.00" 3 49 3 65 parsed_5ujg 2
4 "peak 8 #SUP 0.96 #QF 0.96" 4 49 4 74 parsed_5ujg 2
5 "peak 10 #SUP 0.89 #QF 0.89" 5 49 5 75 parsed_5ujg 2
6 "peak 15 #SUP 0.98 #QF 0.98" 6 49 6 75 parsed_5ujg 2
7 "peak 21 #SUP 0.90 #QF 0.90" 7 49 7 75 parsed_5ujg 2
8 "peak 23 #SUP 1.00" 8 49 8 66 parsed_5ujg 2
9 "peak 28 #SUP 0.83 #QF 0.83" 9 49 9 75 parsed_5ujg 2
10 "peak 35 #SUP 1.00" 10 49 10 66 parsed_5ujg 2
11 "peak 36 #SUP 0.60 #QF 0.60" 11 49 11 75 parsed_5ujg 2
12 "peak 71 #SUP 0.79 #QF 0.79" 12 49 12 75 parsed_5ujg 2
13 "peak 91 #SUP 1.00" 13 49 13 66 parsed_5ujg 2
14 "peak 104 #SUP 0.71 #QF 0.71" 14 49 14 76 parsed_5ujg 2
15 "peak 106 #SUP 0.72 #QF 0.72" 15 49 15 76 parsed_5ujg 2
16 "peak 121 #SUP 0.89 #QF 0.89" 16 49 16 76 parsed_5ujg 2
17 "peak 130 #SUP 0.89 #QF 0.89" 17 49 17 76 parsed_5ujg 2
18 "peak 133 #SUP 0.99 #QF 0.99" 18 49 18 76 parsed_5ujg 2
19 "peak 139 #SUP 0.99 #QF 0.99" 19 49 19 76 parsed_5ujg 2
20 "peak 141 #SUP 0.96 #QF 0.96" 20 49 20 76 parsed_5ujg 2
21 "peak 148 #SUP 1.00" 21 49 21 67 parsed_5ujg 2
22 "peak 149 #SUP 0.95 #QF 0.95" 22 49 22 76 parsed_5ujg 2
23 "peak 164 #SUP 0.99 #QF 0.99" 23 49 23 76 parsed_5ujg 2
24 "peak 166 #SUP 0.99 #QF 0.99" 24 49 24 76 parsed_5ujg 2
25 "peak 167 #SUP 0.98 #QF 0.98" 25 49 25 76 parsed_5ujg 2
26 "peak 258 #SUP 1.00" 26 49 26 67 parsed_5ujg 2
27 "peak 265 #SUP 1.00" 27 49 27 67 parsed_5ujg 2
28 "peak 266 #SUP 0.80 #QF 0.80" 28 49 28 76 parsed_5ujg 2
29 "peak 277 #SUP 0.73 #QF 0.73" 29 49 29 76 parsed_5ujg 2
30 "peak 279 #SUP 0.97 #QF 0.53" 30 49 30 76 parsed_5ujg 2
31 "peak 280 #SUP 0.69 #QF 0.69" 31 49 31 76 parsed_5ujg 2
32 "peak 287 #SUP 0.64 #QF 0.64" 32 49 32 76 parsed_5ujg 2
33 "peak 289 #SUP 0.42 #QF 0.42" 33 49 33 76 parsed_5ujg 2
34 "peak 290 #SUP 0.41 #QF 0.41" 34 49 34 76 parsed_5ujg 2
35 "peak 291 #SUP 0.26 #QF 0.26" 35 49 35 76 parsed_5ujg 2
36 "peak 292 #SUP 0.99 #QF 0.99" 36 49 36 76 parsed_5ujg 2
37 "peak 294 #SUP 0.91 #QF 0.91" 37 49 37 76 parsed_5ujg 2
38 "peak 296 #SUP 0.97 #QF 0.97" 38 49 38 76 parsed_5ujg 2
39 "peak 297 #SUP 0.64 #QF 0.64" 39 49 39 76 parsed_5ujg 2
40 "peak 298 #SUP 0.83 #QF 0.83" 40 49 40 76 parsed_5ujg 2
41 "peak 299 #SUP 0.95 #QF 0.95" 41 49 41 76 parsed_5ujg 2
42 "peak 300 #SUP 1.00" 42 49 42 67 parsed_5ujg 2
43 "peak 307 #SUP 0.79 #QF 0.79" 43 49 43 76 parsed_5ujg 2
44 "peak 308 #SUP 0.77 #QF 0.77" 44 49 44 76 parsed_5ujg 2
45 "peak 313 #SUP 0.97 #QF 0.97" 45 49 45 76 parsed_5ujg 2
46 "peak 314 #SUP 0.81 #QF 0.81" 46 49 46 76 parsed_5ujg 2
47 "peak 315 #SUP 0.98 #QF 0.98" 47 49 47 76 parsed_5ujg 2
48 "peak 316 #SUP 0.61 #QF 0.61" 48 49 48 76 parsed_5ujg 2
49 "peak 317 #SUP 0.77 #QF 0.77" 49 49 49 76 parsed_5ujg 2
50 "peak 324 #SUP 0.84 #QF 0.84" 50 49 50 76 parsed_5ujg 2
51 "peak 326 #SUP 0.56 #QF 0.56" 51 49 51 76 parsed_5ujg 2
52 "peak 327 #SUP 0.96 #QF 0.96" 52 49 52 76 parsed_5ujg 2
53 "peak 328 #SUP 1.00" 53 49 53 67 parsed_5ujg 2
54 "peak 329 #SUP 0.91 #QF 0.91" 54 49 54 76 parsed_5ujg 2
55 "peak 330 #SUP 0.53 #QF 0.53" 55 49 55 76 parsed_5ujg 2
56 "peak 331 #SUP 0.97 #QF 0.97" 56 49 56 76 parsed_5ujg 2
57 "peak 332 #SUP 0.94 #QF 0.94" 57 49 57 76 parsed_5ujg 2
58 "peak 333 #SUP 0.89 #QF 0.89" 58 49 58 76 parsed_5ujg 2
59 "peak 335 #SUP 0.78 #QF 0.78" 59 49 59 76 parsed_5ujg 2
60 "peak 336 #SUP 0.79 #QF 0.79" 60 49 60 76 parsed_5ujg 2
61 "peak 337 #SUP 0.92 #QF 0.92" 61 49 61 76 parsed_5ujg 2
62 "peak 338 #SUP 0.60 #QF 0.60" 62 49 62 76 parsed_5ujg 2
63 "peak 339 #SUP 0.67 #QF 0.67" 63 49 63 76 parsed_5ujg 2
64 "peak 340 #SUP 0.76 #QF 0.76" 64 49 64 76 parsed_5ujg 2
65 "peak 341 #SUP 0.66 #QF 0.66" 65 49 65 76 parsed_5ujg 2
66 "peak 344 #SUP 0.86 #QF 0.86" 66 49 66 76 parsed_5ujg 2
67 "peak 345 #SUP 0.89 #QF 0.89" 67 49 67 76 parsed_5ujg 2
68 "peak 347 #SUP 0.90 #QF 0.90" 68 49 68 76 parsed_5ujg 2
69 "peak 355 #SUP 1.00" 69 49 69 67 parsed_5ujg 2
70 "peak 356 #SUP 0.98 #QF 0.98" 70 49 70 76 parsed_5ujg 2
71 "peak 361 #SUP 0.97 #QF 0.97" 71 49 71 76 parsed_5ujg 2
72 "peak 362 #SUP 0.74 #QF 0.74" 72 49 72 76 parsed_5ujg 2
73 "peak 367 #SUP 0.99 #QF 0.99" 73 49 73 76 parsed_5ujg 2
74 "peak 370 #SUP 0.77 #QF 0.77" 74 49 74 76 parsed_5ujg 2
75 "peak 386 #SUP 0.92 #QF 0.92" 75 49 75 76 parsed_5ujg 2
76 "peak 389 #SUP 0.73 #QF 0.73" 76 49 76 76 parsed_5ujg 2
77 "peak 390 #SUP 0.75 #QF 0.75" 77 49 77 76 parsed_5ujg 2
78 "peak 394 #SUP 0.88 #QF 0.88" 78 49 78 76 parsed_5ujg 2
79 "peak 402 #SUP 0.98 #QF 0.98" 79 49 79 76 parsed_5ujg 2
80 "peak 408 #SUP 0.99 #QF 0.99" 80 49 80 76 parsed_5ujg 2
81 "peak 412 #SUP 1.00" 81 49 81 67 parsed_5ujg 2
82 "peak 414 #SUP 0.92 #QF 0.62" 82 49 82 76 parsed_5ujg 2
83 "peak 425 #SUP 0.76 #QF 0.76" 83 49 83 76 parsed_5ujg 2
84 "peak 426 #SUP 0.99 #QF 0.99" 84 49 84 76 parsed_5ujg 2
85 "peak 266" 85 49 85 57 parsed_5ujg 2
86 "peak 149" 86 49 86 57 parsed_5ujg 2
87 "peak 328" 87 49 87 57 parsed_5ujg 2
88 "peak 24" 88 49 88 56 parsed_5ujg 2
89 "peak 331" 89 49 89 57 parsed_5ujg 2
90 "peak 18" 90 49 90 56 parsed_5ujg 2
91 "peak 425" 91 49 91 57 parsed_5ujg 2
92 "peak 325" 92 49 92 57 parsed_5ujg 2
93 "peak 324" 93 49 93 57 parsed_5ujg 2
94 "peak 346" 94 49 94 57 parsed_5ujg 2
95 "peak 233" 95 49 95 57 parsed_5ujg 2
96 "peak 4" 96 49 96 55 parsed_5ujg 2
97 "peak 380" 97 49 97 57 parsed_5ujg 2
98 "peak 318" 98 49 98 57 parsed_5ujg 2
99 "peak 256" 99 49 99 57 parsed_5ujg 2
100 "peak 257" 100 49 100 57 parsed_5ujg 2
101 "peak 85" 101 49 101 56 parsed_5ujg 2
102 "peak 254" 102 49 102 57 parsed_5ujg 2
103 "peak 416" 103 49 103 57 parsed_5ujg 2
104 "peak 422" 104 49 104 57 parsed_5ujg 2
105 "peak 249" 105 49 105 57 parsed_5ujg 2
106 "peak 299" 106 49 106 57 parsed_5ujg 2
107 "peak 117" 107 49 107 57 parsed_5ujg 2
108 "peak 75" 108 49 108 56 parsed_5ujg 2
109 "peak 274" 109 49 109 57 parsed_5ujg 2
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5ujg
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.5 -55.3 . . 5 VAL . . . . . . . . . . . . . parsed_5ujg 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.2 150.2 . . 5 VAL . . . . . . . . . . . . . parsed_5ujg 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -71.4 . . 6 TYR . . . . . . . . . . . . . parsed_5ujg 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.1 163.9 . . 6 TYR . . . . . . . . . . . . . parsed_5ujg 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.8 -61.0 . . 9 ARG . . . . . . . . . . . . . parsed_5ujg 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 170.4 . . 9 ARG . . . . . . . . . . . . . parsed_5ujg 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.6 -64.6 . . 12 GLN . . . . . . . . . . . . . parsed_5ujg 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.0 152.0 . . 12 GLN . . . . . . . . . . . . . parsed_5ujg 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.3 -81.5 . . 13 THR . . . . . . . . . . . . . parsed_5ujg 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.7 144.7 . . 13 THR . . . . . . . . . . . . . parsed_5ujg 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -79.3 . . 14 CYSS . . . . . . . . . . . . . parsed_5ujg 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.2 159.4 . . 14 CYSS . . . . . . . . . . . . . parsed_5ujg 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.2 -51.4 . . 18 LEU . . . . . . . . . . . . . parsed_5ujg 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 164.5 . . 18 LEU . . . . . . . . . . . . . parsed_5ujg 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -200.9 -84.2 . . 20 GLY . . . . . . . . . . . . . parsed_5ujg 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.5 187.8 . . 20 GLY . . . . . . . . . . . . . parsed_5ujg 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -111.0 . . 22 GLY . . . . . . . . . . . . . parsed_5ujg 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.5 175.5 . . 22 GLY . . . . . . . . . . . . . parsed_5ujg 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.4 -75.1 . . 23 CYSS . . . . . . . . . . . . . parsed_5ujg 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.1 162.5 . . 23 CYSS . . . . . . . . . . . . . parsed_5ujg 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -195.6 -19.9 . . 8 CYSS . . . . . . . . . . . . . parsed_5ujg 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63.9 213.4 . . 8 CYSS . . . . . . . . . . . . . parsed_5ujg 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 3 ASP . . . . . . . . . . . . . parsed_5ujg 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 7 THR . . . . . . . . . . . . . parsed_5ujg 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10 90 . . 11 GLY . . . . . . . . . . . . . parsed_5ujg 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 17 GLY . . . . . . . . . . . . . parsed_5ujg 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 19 HIS . . . . . . . . . . . . . parsed_5ujg 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 20 GLY . . . . . . . . . . . . . parsed_5ujg 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 21 TYR . . . . . . . . . . . . . parsed_5ujg 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 24 CYSS . . . . . . . . . . . . . parsed_5ujg 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 CYSS . . . . . . . . . . . . . parsed_5ujg 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210 -150 . . 14 CYSS . . . . . . . . . . . . . parsed_5ujg 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 15 CYSS . . . . . . . . . . . . . parsed_5ujg 1
34 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 23 CYSS . . . . . . . . . . . . . parsed_5ujg 1
35 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 6 TYR . . . . . . . . . . . . . parsed_5ujg 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 "Restraints file 3: grn24_37.aco" 1 1 1 33 parsed_5ujg 1
2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_5ujg 1
3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_5ujg 1
4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_5ujg 1
5 "4 PRO PHI -84.7 -44.7" 6 4 6 34 parsed_5ujg 1
6 "4 PRO PSI 127.4 167.4" 7 4 7 34 parsed_5ujg 1
7 "10 PRO PHI -89.2 -49.2" 14 3 14 34 parsed_5ujg 1
8 "10 PRO PSI 127.6 175.0" 15 3 15 34 parsed_5ujg 1
9 "11 GLY PHI 74.4 141.6" 16 3 16 34 parsed_5ujg 1
10 "11 GLY PSI -197.5 -146.2" 17 3 17 34 parsed_5ujg 1
11 "21 TYR PHI -150.3 -39.5" 28 3 28 34 parsed_5ujg 1
12 "21 TYR PSI 114.7 163.5" 29 3 29 34 parsed_5ujg 1
13 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 35 1 35 54 parsed_5ujg 1
14 "error margins are set to default values of triple the standard" 36 1 36 67 parsed_5ujg 1
15 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 37 1 37 71 parsed_5ujg 1
stop_
save_
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