Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
610763 | 2ndl RC | 26064 | cing | 2-parsed | STAR | entry | full | 148 |
data_2ndl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ndl
_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_2ndl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ndl
_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 2ndl "Master copy" parsed_2ndl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ndl
_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 2ndl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ndl 1
1 2ndl.mr . . DYANA/DIANA 2 distance NOE simple 136 parsed_2ndl 1
1 2ndl.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 11 parsed_2ndl 1
1 2ndl.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 1 parsed_2ndl 1
1 2ndl.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ndl 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_2ndl
_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 DE NOVO PROTEIN 17-JUL-16 2NDL
*TITLE NMR SOLUTION STRUCTURE OF PAWS DERIVED PEPTIDE 22 (PDP-22)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PAWS DERIVED PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: ZINNIA HAAGEANA;
*SOURCE 4 ORGANISM_TAXID: 1525732;
*SOURCE 5 OTHER_DETAILS: ASSEMBLED BY FMOC SOLID PHASE PEPTIDE SYNTHESIS AND
*SOURCE 6 CYCLISED THROUGH NATIVE CHEMICAL LIGATION.
*KEYWDS PDP, PAWS DERIVED PEPTIDE, PLANT PEPTIDE, CYCLIC PEPTIDE, DE NOVO
*KEYWDS 2 PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR B.FRANKE, A.S.JAYASENA, M.F.FISHER, J.E.SWEDBERG, N.L.TAYLOR,
*AUTHOR 2 J.S.MYLNE, K.ROSENGREN
*REVDAT 1 07-DEC-16 2NDL 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ndl
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_2ndl 1
2 1 . . . parsed_2ndl 1
3 1 . . . parsed_2ndl 1
4 1 . . . parsed_2ndl 1
5 1 . . . parsed_2ndl 1
6 1 . . . parsed_2ndl 1
7 1 . . . parsed_2ndl 1
8 1 . . . parsed_2ndl 1
9 1 . . . parsed_2ndl 1
10 1 . . . parsed_2ndl 1
11 1 . . . parsed_2ndl 1
12 1 . . . parsed_2ndl 1
13 1 . . . parsed_2ndl 1
14 1 . . . parsed_2ndl 1
15 1 . . . parsed_2ndl 1
16 1 . . . parsed_2ndl 1
17 1 . . . parsed_2ndl 1
18 1 . . . parsed_2ndl 1
19 1 . . . parsed_2ndl 1
20 1 . . . parsed_2ndl 1
21 1 . . . parsed_2ndl 1
22 1 . . . parsed_2ndl 1
23 1 . . . parsed_2ndl 1
24 1 . . . parsed_2ndl 1
25 1 . . . parsed_2ndl 1
26 1 . . . parsed_2ndl 1
27 1 . . . parsed_2ndl 1
28 1 . . . parsed_2ndl 1
29 1 . . . parsed_2ndl 1
30 1 . . . parsed_2ndl 1
31 1 . . . parsed_2ndl 1
32 1 . . . parsed_2ndl 1
33 1 . . . parsed_2ndl 1
34 1 . . . parsed_2ndl 1
35 1 . . . parsed_2ndl 1
36 1 . . . parsed_2ndl 1
37 1 . . . parsed_2ndl 1
38 1 . . . parsed_2ndl 1
39 1 . . . parsed_2ndl 1
40 1 . . . parsed_2ndl 1
41 1 . . . parsed_2ndl 1
42 1 . . . parsed_2ndl 1
43 1 . . . parsed_2ndl 1
44 1 . . . parsed_2ndl 1
45 1 . . . parsed_2ndl 1
46 1 . . . parsed_2ndl 1
47 1 . . . parsed_2ndl 1
48 1 . . . parsed_2ndl 1
49 1 . . . parsed_2ndl 1
50 1 . . . parsed_2ndl 1
51 1 . . . parsed_2ndl 1
52 1 . . . parsed_2ndl 1
53 1 . . . parsed_2ndl 1
54 1 . . . parsed_2ndl 1
55 1 . . . parsed_2ndl 1
56 1 . . . parsed_2ndl 1
57 1 . . . parsed_2ndl 1
58 1 . . . parsed_2ndl 1
59 1 . . . parsed_2ndl 1
60 1 . . . parsed_2ndl 1
61 1 . . . parsed_2ndl 1
62 1 . . . parsed_2ndl 1
63 1 . . . parsed_2ndl 1
64 1 . . . parsed_2ndl 1
65 1 . . . parsed_2ndl 1
66 1 . . . parsed_2ndl 1
67 1 . . . parsed_2ndl 1
68 1 . . . parsed_2ndl 1
69 1 . . . parsed_2ndl 1
70 1 . . . parsed_2ndl 1
71 1 . . . parsed_2ndl 1
72 1 . . . parsed_2ndl 1
73 1 . . . parsed_2ndl 1
74 1 . . . parsed_2ndl 1
75 1 . . . parsed_2ndl 1
76 1 . . . parsed_2ndl 1
77 1 . . . parsed_2ndl 1
78 1 . . . parsed_2ndl 1
79 1 . . . parsed_2ndl 1
80 1 . . . parsed_2ndl 1
81 1 . . . parsed_2ndl 1
82 1 . . . parsed_2ndl 1
83 1 . . . parsed_2ndl 1
84 1 . . . parsed_2ndl 1
85 1 . . . parsed_2ndl 1
86 1 . . . parsed_2ndl 1
87 1 . . . parsed_2ndl 1
88 1 . . . parsed_2ndl 1
89 1 . . . parsed_2ndl 1
90 1 . . . parsed_2ndl 1
91 1 . . . parsed_2ndl 1
92 1 . . . parsed_2ndl 1
93 1 . . . parsed_2ndl 1
94 1 . . . parsed_2ndl 1
95 1 . . . parsed_2ndl 1
96 1 . . . parsed_2ndl 1
97 1 . . . parsed_2ndl 1
98 1 . . . parsed_2ndl 1
99 1 . . . parsed_2ndl 1
100 1 . . . parsed_2ndl 1
101 1 . . . parsed_2ndl 1
102 1 . . . parsed_2ndl 1
103 1 . . . parsed_2ndl 1
104 1 . . . parsed_2ndl 1
105 1 . . . parsed_2ndl 1
106 1 . . . parsed_2ndl 1
107 1 . . . parsed_2ndl 1
108 1 . . . parsed_2ndl 1
109 1 . . . parsed_2ndl 1
110 1 . . . parsed_2ndl 1
111 1 . . . parsed_2ndl 1
112 1 . . . parsed_2ndl 1
113 1 . . . parsed_2ndl 1
114 1 . . . parsed_2ndl 1
115 1 . . . parsed_2ndl 1
116 1 . . . parsed_2ndl 1
117 1 . . . parsed_2ndl 1
118 1 . . . parsed_2ndl 1
119 1 . . . parsed_2ndl 1
120 1 . . . parsed_2ndl 1
121 1 . . . parsed_2ndl 1
122 1 . . . parsed_2ndl 1
123 1 . . . parsed_2ndl 1
124 1 . . . parsed_2ndl 1
125 1 . . . parsed_2ndl 1
126 1 . . . parsed_2ndl 1
127 1 . . . parsed_2ndl 1
128 1 . . . parsed_2ndl 1
129 1 . . . parsed_2ndl 1
130 1 . . . parsed_2ndl 1
131 1 . . . parsed_2ndl 1
132 1 . . . parsed_2ndl 1
133 1 . . . parsed_2ndl 1
134 1 . . . parsed_2ndl 1
135 1 . . . parsed_2ndl 1
136 1 . . . parsed_2ndl 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 . . . . . . . . . 2 PRO HA parsed_2ndl 1
1 1 2 . . . . . . . . . 3 CYSS H parsed_2ndl 1
2 1 1 . . . . . . . . . 3 CYSS H parsed_2ndl 1
2 1 2 . . . . . . . . . 3 CYSS HB2 parsed_2ndl 1
3 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
3 1 2 . . . . . . . . . 4 PHE H parsed_2ndl 1
4 1 1 . . . . . . . . . 4 PHE HA parsed_2ndl 1
4 1 2 . . . . . . . . . 5 PRO HD2 parsed_2ndl 1
5 1 1 . . . . . . . . . 4 PHE HA parsed_2ndl 1
5 1 2 . . . . . . . . . 5 PRO HD3 parsed_2ndl 1
6 1 1 . . . . . . . . . 5 PRO HA parsed_2ndl 1
6 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
7 1 1 . . . . . . . . . 6 MET H parsed_2ndl 1
7 1 2 . . . . . . . . . 6 MET QG parsed_2ndl 1
8 1 1 . . . . . . . . . 6 MET H parsed_2ndl 1
8 1 2 . . . . . . . . . 6 MET HB2 parsed_2ndl 1
9 1 1 . . . . . . . . . 6 MET H parsed_2ndl 1
9 1 2 . . . . . . . . . 6 MET HB3 parsed_2ndl 1
10 1 1 . . . . . . . . . 6 MET HA parsed_2ndl 1
10 1 2 . . . . . . . . . 7 GLY H parsed_2ndl 1
11 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
11 1 2 . . . . . . . . . 9 TRP H parsed_2ndl 1
12 1 1 . . . . . . . . . 10 GLY HA3 parsed_2ndl 1
12 1 2 . . . . . . . . . 11 PRO HD2 parsed_2ndl 1
13 1 1 . . . . . . . . . 10 GLY HA3 parsed_2ndl 1
13 1 2 . . . . . . . . . 11 PRO HD3 parsed_2ndl 1
14 1 1 . . . . . . . . . 11 PRO HA parsed_2ndl 1
14 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
15 1 1 . . . . . . . . . 12 PHE HA parsed_2ndl 1
15 1 2 . . . . . . . . . 13 CYSS H parsed_2ndl 1
16 1 1 . . . . . . . . . 13 CYSS H parsed_2ndl 1
16 1 2 . . . . . . . . . 13 CYSS HB2 parsed_2ndl 1
17 1 1 . . . . . . . . . 13 CYSS H parsed_2ndl 1
17 1 2 . . . . . . . . . 13 CYSS HB3 parsed_2ndl 1
18 1 1 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
18 1 2 . . . . . . . . . 14 ILE H parsed_2ndl 1
19 1 1 . . . . . . . . . 14 ILE HA parsed_2ndl 1
19 1 2 . . . . . . . . . 15 PRO HD2 parsed_2ndl 1
20 1 1 . . . . . . . . . 14 ILE HA parsed_2ndl 1
20 1 2 . . . . . . . . . 15 PRO HD3 parsed_2ndl 1
21 1 1 . . . . . . . . . 1 GLY H parsed_2ndl 1
21 1 2 . . . . . . . . . 16 ASP HA parsed_2ndl 1
22 1 1 . . . . . . . . . 7 GLY HA2 parsed_2ndl 1
22 1 2 . . . . . . . . . 8 PRO QD parsed_2ndl 1
23 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2ndl 1
23 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
24 1 1 . . . . . . . . . 14 ILE H parsed_2ndl 1
24 1 2 . . . . . . . . . 14 ILE HB parsed_2ndl 1
25 1 1 . . . . . . . . . 14 ILE H parsed_2ndl 1
25 1 2 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
26 1 1 . . . . . . . . . 14 ILE H parsed_2ndl 1
26 1 2 . . . . . . . . . 14 ILE QD1 parsed_2ndl 1
27 1 1 . . . . . . . . . 14 ILE HA parsed_2ndl 1
27 1 2 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
28 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
28 1 2 . . . . . . . . . 8 PRO QD parsed_2ndl 1
29 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
29 1 2 . . . . . . . . . 8 PRO HG2 parsed_2ndl 1
30 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
30 1 2 . . . . . . . . . 8 PRO HG3 parsed_2ndl 1
31 1 1 . . . . . . . . . 2 PRO HB3 parsed_2ndl 1
31 1 2 . . . . . . . . . 3 CYSS H parsed_2ndl 1
32 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2ndl 1
32 1 2 . . . . . . . . . 4 PHE H parsed_2ndl 1
33 1 1 . . . . . . . . . 3 CYSS HB2 parsed_2ndl 1
33 1 2 . . . . . . . . . 4 PHE H parsed_2ndl 1
34 1 1 . . . . . . . . . 6 MET HB3 parsed_2ndl 1
34 1 2 . . . . . . . . . 7 GLY H parsed_2ndl 1
35 1 1 . . . . . . . . . 6 MET HB2 parsed_2ndl 1
35 1 2 . . . . . . . . . 7 GLY H parsed_2ndl 1
36 1 1 . . . . . . . . . 7 GLY H parsed_2ndl 1
36 1 2 . . . . . . . . . 8 PRO QD parsed_2ndl 1
37 1 1 . . . . . . . . . 8 PRO QD parsed_2ndl 1
37 1 2 . . . . . . . . . 9 TRP H parsed_2ndl 1
38 1 1 . . . . . . . . . 11 PRO HB2 parsed_2ndl 1
38 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
39 1 1 . . . . . . . . . 11 PRO HB3 parsed_2ndl 1
39 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
40 1 1 . . . . . . . . . 13 CYSS HB2 parsed_2ndl 1
40 1 2 . . . . . . . . . 14 ILE H parsed_2ndl 1
41 1 1 . . . . . . . . . 13 CYSS HB3 parsed_2ndl 1
41 1 2 . . . . . . . . . 14 ILE H parsed_2ndl 1
42 1 1 . . . . . . . . . 15 PRO HB2 parsed_2ndl 1
42 1 2 . . . . . . . . . 16 ASP H parsed_2ndl 1
43 1 1 . . . . . . . . . 15 PRO HB3 parsed_2ndl 1
43 1 2 . . . . . . . . . 16 ASP H parsed_2ndl 1
44 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
44 1 2 . . . . . . . . . 13 CYSS HB3 parsed_2ndl 1
45 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
45 1 2 . . . . . . . . . 13 CYSS HB2 parsed_2ndl 1
46 1 1 . . . . . . . . . 5 PRO HD2 parsed_2ndl 1
46 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
47 1 1 . . . . . . . . . 1 GLY H parsed_2ndl 1
47 1 2 . . . . . . . . . 16 ASP H parsed_2ndl 1
48 1 1 . . . . . . . . . 1 GLY H parsed_2ndl 1
48 1 2 . . . . . . . . . 14 ILE HB parsed_2ndl 1
49 1 1 . . . . . . . . . 1 GLY H parsed_2ndl 1
49 1 2 . . . . . . . . . 14 ILE QD1 parsed_2ndl 1
50 1 1 . . . . . . . . . 2 PRO QD parsed_2ndl 1
50 1 2 . . . . . . . . . 14 ILE QD1 parsed_2ndl 1
51 1 1 . . . . . . . . . 11 PRO QG parsed_2ndl 1
51 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
52 1 1 . . . . . . . . . 3 CYSS H parsed_2ndl 1
52 1 2 . . . . . . . . . 13 CYSS HB3 parsed_2ndl 1
53 1 1 . . . . . . . . . 3 CYSS HB3 parsed_2ndl 1
53 1 2 . . . . . . . . . 13 CYSS H parsed_2ndl 1
54 1 1 . . . . . . . . . 2 PRO QD parsed_2ndl 1
54 1 2 . . . . . . . . . 14 ILE H parsed_2ndl 1
55 1 1 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
55 1 2 . . . . . . . . . 15 PRO HD3 parsed_2ndl 1
56 1 1 . . . . . . . . . 4 PHE HB3 parsed_2ndl 1
56 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
57 1 1 . . . . . . . . . 4 PHE HB3 parsed_2ndl 1
57 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
58 1 1 . . . . . . . . . 4 PHE HB2 parsed_2ndl 1
58 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
59 1 1 . . . . . . . . . 4 PHE HB2 parsed_2ndl 1
59 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
60 1 1 . . . . . . . . . 1 GLY H parsed_2ndl 1
60 1 2 . . . . . . . . . 15 PRO HA parsed_2ndl 1
61 1 1 . . . . . . . . . 12 PHE QD parsed_2ndl 1
61 1 2 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
62 1 1 . . . . . . . . . 4 PHE QE parsed_2ndl 1
62 1 2 . . . . . . . . . 14 ILE QD1 parsed_2ndl 1
63 1 1 . . . . . . . . . 4 PHE QD parsed_2ndl 1
63 1 2 . . . . . . . . . 14 ILE QD1 parsed_2ndl 1
64 1 1 . . . . . . . . . 5 PRO HA parsed_2ndl 1
64 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
65 1 1 . . . . . . . . . 5 PRO HD3 parsed_2ndl 1
65 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
66 1 1 . . . . . . . . . 11 PRO HA parsed_2ndl 1
66 1 2 . . . . . . . . . 12 PHE QD parsed_2ndl 1
67 1 1 . . . . . . . . . 12 PHE QD parsed_2ndl 1
67 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
68 1 1 . . . . . . . . . 2 PRO HB2 parsed_2ndl 1
68 1 2 . . . . . . . . . 4 PHE QE parsed_2ndl 1
69 1 1 . . . . . . . . . 2 PRO HB2 parsed_2ndl 1
69 1 2 . . . . . . . . . 4 PHE QD parsed_2ndl 1
70 1 1 . . . . . . . . . 12 PHE QE parsed_2ndl 1
70 1 2 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
71 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
71 1 2 . . . . . . . . . 10 GLY H parsed_2ndl 1
72 1 1 . . . . . . . . . 4 PHE QE parsed_2ndl 1
72 1 2 . . . . . . . . . 5 PRO QG parsed_2ndl 1
73 1 1 . . . . . . . . . 4 PHE QD parsed_2ndl 1
73 1 2 . . . . . . . . . 5 PRO QG parsed_2ndl 1
74 1 1 . . . . . . . . . 6 MET H parsed_2ndl 1
74 1 2 . . . . . . . . . 10 GLY HA2 parsed_2ndl 1
75 1 1 . . . . . . . . . 6 MET H parsed_2ndl 1
75 1 2 . . . . . . . . . 11 PRO HA parsed_2ndl 1
76 1 1 . . . . . . . . . 12 PHE QD parsed_2ndl 1
76 1 2 . . . . . . . . . 13 CYSS H parsed_2ndl 1
77 1 1 . . . . . . . . . 7 GLY H parsed_2ndl 1
77 1 2 . . . . . . . . . 10 GLY HA2 parsed_2ndl 1
78 1 1 . . . . . . . . . 7 GLY HA2 parsed_2ndl 1
78 1 2 . . . . . . . . . 12 PHE QD parsed_2ndl 1
79 1 1 . . . . . . . . . 7 GLY HA2 parsed_2ndl 1
79 1 2 . . . . . . . . . 12 PHE QE parsed_2ndl 1
80 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
80 1 2 . . . . . . . . . 12 PHE QD parsed_2ndl 1
81 1 1 . . . . . . . . . 7 GLY HA3 parsed_2ndl 1
81 1 2 . . . . . . . . . 12 PHE QE parsed_2ndl 1
82 1 1 . . . . . . . . . 12 PHE QD parsed_2ndl 1
82 1 2 . . . . . . . . . 14 ILE HA parsed_2ndl 1
83 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
83 1 2 . . . . . . . . . 13 CYSS H parsed_2ndl 1
84 1 1 . . . . . . . . . 3 CYSS H parsed_2ndl 1
84 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
85 1 1 . . . . . . . . . 6 MET H parsed_2ndl 1
85 1 2 . . . . . . . . . 10 GLY H parsed_2ndl 1
86 1 1 . . . . . . . . . 12 PHE H parsed_2ndl 1
86 1 2 . . . . . . . . . 12 PHE QD parsed_2ndl 1
87 1 1 . . . . . . . . . 5 PRO HA parsed_2ndl 1
87 1 2 . . . . . . . . . 11 PRO HA parsed_2ndl 1
88 1 1 . . . . . . . . . 4 PHE QE parsed_2ndl 1
88 1 2 . . . . . . . . . 14 ILE HG12 parsed_2ndl 1
89 1 1 . . . . . . . . . 4 PHE QE parsed_2ndl 1
89 1 2 . . . . . . . . . 14 ILE HG13 parsed_2ndl 1
90 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
90 1 2 . . . . . . . . . 14 ILE H parsed_2ndl 1
91 1 1 . . . . . . . . . 4 PHE H parsed_2ndl 1
91 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
92 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
92 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
93 1 1 . . . . . . . . . 4 PHE QD parsed_2ndl 1
93 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
94 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
94 1 2 . . . . . . . . . 4 PHE QD parsed_2ndl 1
95 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
95 1 2 . . . . . . . . . 12 PHE QD parsed_2ndl 1
96 1 1 . . . . . . . . . 3 CYSS HB2 parsed_2ndl 1
96 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
97 1 1 . . . . . . . . . 3 CYSS HA parsed_2ndl 1
97 1 2 . . . . . . . . . 13 CYSS HA parsed_2ndl 1
98 1 1 . . . . . . . . . 4 PHE H parsed_2ndl 1
98 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
99 1 1 . . . . . . . . . 2 PRO HB3 parsed_2ndl 1
99 1 2 . . . . . . . . . 4 PHE QE parsed_2ndl 1
100 1 1 . . . . . . . . . 2 PRO QD parsed_2ndl 1
100 1 2 . . . . . . . . . 4 PHE QE parsed_2ndl 1
101 1 1 . . . . . . . . . 4 PHE HA parsed_2ndl 1
101 1 2 . . . . . . . . . 4 PHE QE parsed_2ndl 1
102 1 1 . . . . . . . . . 4 PHE HA parsed_2ndl 1
102 1 2 . . . . . . . . . 4 PHE QD parsed_2ndl 1
103 1 1 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
103 1 2 . . . . . . . . . 15 PRO HD2 parsed_2ndl 1
104 1 1 . . . . . . . . . 4 PHE H parsed_2ndl 1
104 1 2 . . . . . . . . . 4 PHE QD parsed_2ndl 1
105 1 1 . . . . . . . . . 4 PHE H parsed_2ndl 1
105 1 2 . . . . . . . . . 4 PHE QE parsed_2ndl 1
106 1 1 . . . . . . . . . 9 TRP HA parsed_2ndl 1
106 1 2 . . . . . . . . . 9 TRP HD1 parsed_2ndl 1
107 1 1 . . . . . . . . . 8 PRO HA parsed_2ndl 1
107 1 2 . . . . . . . . . 9 TRP HA parsed_2ndl 1
108 1 1 . . . . . . . . . 9 TRP H parsed_2ndl 1
108 1 2 . . . . . . . . . 10 GLY H parsed_2ndl 1
109 1 1 . . . . . . . . . 7 GLY H parsed_2ndl 1
109 1 2 . . . . . . . . . 10 GLY H parsed_2ndl 1
110 1 1 . . . . . . . . . 2 PRO QG parsed_2ndl 1
110 1 2 . . . . . . . . . 4 PHE QE parsed_2ndl 1
111 1 1 . . . . . . . . . 2 PRO QG parsed_2ndl 1
111 1 2 . . . . . . . . . 4 PHE QD parsed_2ndl 1
112 1 1 . . . . . . . . . 1 GLY QA parsed_2ndl 1
112 1 2 . . . . . . . . . 2 PRO QD parsed_2ndl 1
113 1 1 . . . . . . . . . 1 GLY QA parsed_2ndl 1
113 1 2 . . . . . . . . . 14 ILE HB parsed_2ndl 1
114 1 1 . . . . . . . . . 4 PHE H parsed_2ndl 1
114 1 2 . . . . . . . . . 4 PHE QB parsed_2ndl 1
115 1 1 . . . . . . . . . 4 PHE H parsed_2ndl 1
115 1 2 . . . . . . . . . 12 PHE QB parsed_2ndl 1
116 1 1 . . . . . . . . . 4 PHE QB parsed_2ndl 1
116 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
117 1 1 . . . . . . . . . 4 PHE QB parsed_2ndl 1
117 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
118 1 1 . . . . . . . . . 4 PHE QD parsed_2ndl 1
118 1 2 . . . . . . . . . 14 ILE QG1 parsed_2ndl 1
119 1 1 . . . . . . . . . 4 PHE QE parsed_2ndl 1
119 1 2 . . . . . . . . . 14 ILE QG1 parsed_2ndl 1
120 1 1 . . . . . . . . . 5 PRO HA parsed_2ndl 1
120 1 2 . . . . . . . . . 11 PRO QB parsed_2ndl 1
121 1 1 . . . . . . . . . 5 PRO QB parsed_2ndl 1
121 1 2 . . . . . . . . . 11 PRO HA parsed_2ndl 1
122 1 1 . . . . . . . . . 5 PRO QD parsed_2ndl 1
122 1 2 . . . . . . . . . 6 MET H parsed_2ndl 1
123 1 1 . . . . . . . . . 5 PRO QD parsed_2ndl 1
123 1 2 . . . . . . . . . 6 MET HB2 parsed_2ndl 1
124 1 1 . . . . . . . . . 8 PRO QB parsed_2ndl 1
124 1 2 . . . . . . . . . 9 TRP H parsed_2ndl 1
125 1 1 . . . . . . . . . 8 PRO QG parsed_2ndl 1
125 1 2 . . . . . . . . . 9 TRP H parsed_2ndl 1
126 1 1 . . . . . . . . . 9 TRP H parsed_2ndl 1
126 1 2 . . . . . . . . . 9 TRP QB parsed_2ndl 1
127 1 1 . . . . . . . . . 10 GLY HA3 parsed_2ndl 1
127 1 2 . . . . . . . . . 11 PRO QD parsed_2ndl 1
128 1 1 . . . . . . . . . 11 PRO QB parsed_2ndl 1
128 1 2 . . . . . . . . . 12 PHE H parsed_2ndl 1
129 1 1 . . . . . . . . . 12 PHE H parsed_2ndl 1
129 1 2 . . . . . . . . . 12 PHE QB parsed_2ndl 1
130 1 1 . . . . . . . . . 12 PHE QB parsed_2ndl 1
130 1 2 . . . . . . . . . 13 CYSS H parsed_2ndl 1
131 1 1 . . . . . . . . . 12 PHE QE parsed_2ndl 1
131 1 2 . . . . . . . . . 14 ILE QG1 parsed_2ndl 1
132 1 1 . . . . . . . . . 14 ILE H parsed_2ndl 1
132 1 2 . . . . . . . . . 14 ILE QG1 parsed_2ndl 1
133 1 1 . . . . . . . . . 14 ILE HA parsed_2ndl 1
133 1 2 . . . . . . . . . 15 PRO QD parsed_2ndl 1
134 1 1 . . . . . . . . . 14 ILE HB parsed_2ndl 1
134 1 2 . . . . . . . . . 14 ILE QG1 parsed_2ndl 1
135 1 1 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
135 1 2 . . . . . . . . . 14 ILE QG1 parsed_2ndl 1
136 1 1 . . . . . . . . . 14 ILE QG2 parsed_2ndl 1
136 1 2 . . . . . . . . . 15 PRO QD parsed_2ndl 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 . . . . . . . 2.99 parsed_2ndl 1
2 1 . . . . . . . 3.62 parsed_2ndl 1
3 1 . . . . . . . 2.78 parsed_2ndl 1
4 1 . . . . . . . 3.45 parsed_2ndl 1
5 1 . . . . . . . 3.45 parsed_2ndl 1
6 1 . . . . . . . 3.28 parsed_2ndl 1
7 1 . . . . . . . 4.91 parsed_2ndl 1
8 1 . . . . . . . 4.13 parsed_2ndl 1
9 1 . . . . . . . 3.91 parsed_2ndl 1
10 1 . . . . . . . 3.26 parsed_2ndl 1
11 1 . . . . . . . 4.36 parsed_2ndl 1
12 1 . . . . . . . 3.75 parsed_2ndl 1
13 1 . . . . . . . 3.75 parsed_2ndl 1
14 1 . . . . . . . 2.85 parsed_2ndl 1
15 1 . . . . . . . 2.89 parsed_2ndl 1
16 1 . . . . . . . 3.44 parsed_2ndl 1
17 1 . . . . . . . 4.20 parsed_2ndl 1
18 1 . . . . . . . 2.86 parsed_2ndl 1
19 1 . . . . . . . 3.61 parsed_2ndl 1
20 1 . . . . . . . 3.61 parsed_2ndl 1
21 1 . . . . . . . 3.64 parsed_2ndl 1
22 1 . . . . . . . 3.27 parsed_2ndl 1
23 1 . . . . . . . 3.75 parsed_2ndl 1
24 1 . . . . . . . 3.72 parsed_2ndl 1
25 1 . . . . . . . 4.42 parsed_2ndl 1
26 1 . . . . . . . 4.88 parsed_2ndl 1
27 1 . . . . . . . 3.66 parsed_2ndl 1
28 1 . . . . . . . 3.31 parsed_2ndl 1
29 1 . . . . . . . 5.50 parsed_2ndl 1
30 1 . . . . . . . 5.50 parsed_2ndl 1
31 1 . . . . . . . 4.05 parsed_2ndl 1
32 1 . . . . . . . 3.71 parsed_2ndl 1
33 1 . . . . . . . 4.42 parsed_2ndl 1
34 1 . . . . . . . 4.29 parsed_2ndl 1
35 1 . . . . . . . 4.63 parsed_2ndl 1
36 1 . . . . . . . 4.40 parsed_2ndl 1
37 1 . . . . . . . 3.81 parsed_2ndl 1
38 1 . . . . . . . 4.62 parsed_2ndl 1
39 1 . . . . . . . 4.62 parsed_2ndl 1
40 1 . . . . . . . 4.37 parsed_2ndl 1
41 1 . . . . . . . 3.86 parsed_2ndl 1
42 1 . . . . . . . 4.47 parsed_2ndl 1
43 1 . . . . . . . 4.47 parsed_2ndl 1
44 1 . . . . . . . 3.98 parsed_2ndl 1
45 1 . . . . . . . 4.68 parsed_2ndl 1
46 1 . . . . . . . 5.21 parsed_2ndl 1
47 1 . . . . . . . 3.38 parsed_2ndl 1
48 1 . . . . . . . 4.27 parsed_2ndl 1
49 1 . . . . . . . 4.37 parsed_2ndl 1
50 1 . . . . . . . 3.71 parsed_2ndl 1
51 1 . . . . . . . 4.82 parsed_2ndl 1
52 1 . . . . . . . 4.39 parsed_2ndl 1
53 1 . . . . . . . 4.03 parsed_2ndl 1
54 1 . . . . . . . 5.42 parsed_2ndl 1
55 1 . . . . . . . 4.29 parsed_2ndl 1
56 1 . . . . . . . 5.50 parsed_2ndl 1
57 1 . . . . . . . 4.76 parsed_2ndl 1
58 1 . . . . . . . 5.50 parsed_2ndl 1
59 1 . . . . . . . 4.76 parsed_2ndl 1
60 1 . . . . . . . 4.35 parsed_2ndl 1
61 1 . . . . . . . 4.16 parsed_2ndl 1
62 1 . . . . . . . 4.09 parsed_2ndl 1
63 1 . . . . . . . 4.17 parsed_2ndl 1
64 1 . . . . . . . 4.60 parsed_2ndl 1
65 1 . . . . . . . 5.21 parsed_2ndl 1
66 1 . . . . . . . 4.51 parsed_2ndl 1
67 1 . . . . . . . 4.85 parsed_2ndl 1
68 1 . . . . . . . 5.11 parsed_2ndl 1
69 1 . . . . . . . 4.74 parsed_2ndl 1
70 1 . . . . . . . 4.20 parsed_2ndl 1
71 1 . . . . . . . 4.55 parsed_2ndl 1
72 1 . . . . . . . 5.50 parsed_2ndl 1
73 1 . . . . . . . 5.08 parsed_2ndl 1
74 1 . . . . . . . 4.32 parsed_2ndl 1
75 1 . . . . . . . 4.00 parsed_2ndl 1
76 1 . . . . . . . 4.41 parsed_2ndl 1
77 1 . . . . . . . 4.79 parsed_2ndl 1
78 1 . . . . . . . 5.27 parsed_2ndl 1
79 1 . . . . . . . 4.73 parsed_2ndl 1
80 1 . . . . . . . 3.74 parsed_2ndl 1
81 1 . . . . . . . 4.11 parsed_2ndl 1
82 1 . . . . . . . 4.60 parsed_2ndl 1
83 1 . . . . . . . 4.42 parsed_2ndl 1
84 1 . . . . . . . 4.54 parsed_2ndl 1
85 1 . . . . . . . 4.71 parsed_2ndl 1
86 1 . . . . . . . 4.15 parsed_2ndl 1
87 1 . . . . . . . 3.87 parsed_2ndl 1
88 1 . . . . . . . 5.50 parsed_2ndl 1
89 1 . . . . . . . 5.50 parsed_2ndl 1
90 1 . . . . . . . 3.68 parsed_2ndl 1
91 1 . . . . . . . 3.60 parsed_2ndl 1
92 1 . . . . . . . 4.80 parsed_2ndl 1
93 1 . . . . . . . 5.22 parsed_2ndl 1
94 1 . . . . . . . 4.34 parsed_2ndl 1
95 1 . . . . . . . 5.12 parsed_2ndl 1
96 1 . . . . . . . 4.37 parsed_2ndl 1
97 1 . . . . . . . 2.40 parsed_2ndl 1
98 1 . . . . . . . 3.60 parsed_2ndl 1
99 1 . . . . . . . 5.27 parsed_2ndl 1
100 1 . . . . . . . 4.96 parsed_2ndl 1
101 1 . . . . . . . 4.68 parsed_2ndl 1
102 1 . . . . . . . 3.95 parsed_2ndl 1
103 1 . . . . . . . 4.29 parsed_2ndl 1
104 1 . . . . . . . 4.25 parsed_2ndl 1
105 1 . . . . . . . 5.50 parsed_2ndl 1
106 1 . . . . . . . 4.36 parsed_2ndl 1
107 1 . . . . . . . 4.66 parsed_2ndl 1
108 1 . . . . . . . 3.18 parsed_2ndl 1
109 1 . . . . . . . 5.19 parsed_2ndl 1
110 1 . . . . . . . 4.21 parsed_2ndl 1
111 1 . . . . . . . 4.64 parsed_2ndl 1
112 1 . . . . . . . 3.21 parsed_2ndl 1
113 1 . . . . . . . 4.42 parsed_2ndl 1
114 1 . . . . . . . 3.32 parsed_2ndl 1
115 1 . . . . . . . 5.32 parsed_2ndl 1
116 1 . . . . . . . 4.09 parsed_2ndl 1
117 1 . . . . . . . 4.63 parsed_2ndl 1
118 1 . . . . . . . 5.13 parsed_2ndl 1
119 1 . . . . . . . 4.72 parsed_2ndl 1
120 1 . . . . . . . 4.45 parsed_2ndl 1
121 1 . . . . . . . 4.77 parsed_2ndl 1
122 1 . . . . . . . 4.49 parsed_2ndl 1
123 1 . . . . . . . 5.35 parsed_2ndl 1
124 1 . . . . . . . 3.97 parsed_2ndl 1
125 1 . . . . . . . 3.96 parsed_2ndl 1
126 1 . . . . . . . 3.39 parsed_2ndl 1
127 1 . . . . . . . 3.26 parsed_2ndl 1
128 1 . . . . . . . 4.02 parsed_2ndl 1
129 1 . . . . . . . 3.62 parsed_2ndl 1
130 1 . . . . . . . 3.42 parsed_2ndl 1
131 1 . . . . . . . 4.62 parsed_2ndl 1
132 1 . . . . . . . 3.21 parsed_2ndl 1
133 1 . . . . . . . 3.00 parsed_2ndl 1
134 1 . . . . . . . 2.52 parsed_2ndl 1
135 1 . . . . . . . 3.15 parsed_2ndl 1
136 1 . . . . . . . 3.45 parsed_2ndl 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 "peak 5 #SUP 0.61 #QF 0.61" 1 49 1 74 parsed_2ndl 1
2 "peak 8 #SUP 0.87 #QF 0.87" 2 49 2 74 parsed_2ndl 1
3 "peak 9 #SUP 0.75 #QF 0.75" 3 49 3 74 parsed_2ndl 1
4 "peak 13 #SUP 1.00" 4 49 4 66 parsed_2ndl 1
5 "peak 14 #SUP 1.00" 5 49 5 66 parsed_2ndl 1
6 "peak 15 #SUP 0.92 #QF 0.92" 6 49 6 75 parsed_2ndl 1
7 "peak 17 #SUP 1.00" 7 49 7 66 parsed_2ndl 1
8 "peak 18 #SUP 1.00" 8 49 8 66 parsed_2ndl 1
9 "peak 19 #SUP 1.00" 9 49 9 66 parsed_2ndl 1
10 "peak 20 #SUP 0.83 #QF 0.83" 10 49 10 75 parsed_2ndl 1
11 "peak 23 #SUP 1.00 #QF 0.53" 11 49 11 75 parsed_2ndl 1
12 "peak 30 #SUP 0.88 #QF 0.88" 12 49 12 75 parsed_2ndl 1
13 "peak 31 #SUP 1.00" 13 49 13 66 parsed_2ndl 1
14 "peak 32 #SUP 0.67 #QF 0.67" 14 49 14 75 parsed_2ndl 1
15 "peak 36 #SUP 0.83 #QF 0.83" 15 49 15 75 parsed_2ndl 1
16 "peak 37 #SUP 0.73 #QF 0.73" 16 49 16 75 parsed_2ndl 1
17 "peak 38 #SUP 1.00" 17 49 17 66 parsed_2ndl 1
18 "peak 39 #SUP 0.67 #QF 0.67" 18 49 18 75 parsed_2ndl 1
19 "peak 41 #SUP 1.00" 19 49 19 66 parsed_2ndl 1
20 "peak 42 #SUP 1.00" 20 49 20 66 parsed_2ndl 1
21 "peak 47 #SUP 0.60 #QF 0.60" 21 49 21 75 parsed_2ndl 1
22 "peak 48 #SUP 0.93 #QF 0.93" 22 49 22 75 parsed_2ndl 1
23 "peak 61 #SUP 1.00 #QF 0.49" 23 49 23 75 parsed_2ndl 1
24 "peak 66 #SUP 0.95 #QF 0.95" 24 49 24 75 parsed_2ndl 1
25 "peak 70 #SUP 1.00" 25 49 25 66 parsed_2ndl 1
26 "peak 70 #SUP 1.00" 26 49 26 66 parsed_2ndl 1
27 "peak 78 #SUP 1.00" 27 49 27 66 parsed_2ndl 1
28 "peak 104 #SUP 0.99 #QF 0.56" 28 49 28 76 parsed_2ndl 1
29 "peak 106 #SUP 1.00 #QF 0.53" 29 49 29 76 parsed_2ndl 1
30 "peak 107 #SUP 1.00 #QF 0.55" 30 49 30 76 parsed_2ndl 1
31 "peak 143 #SUP 1.00" 31 49 31 67 parsed_2ndl 1
32 "peak 146 #SUP 0.94 #QF 0.94" 32 49 32 76 parsed_2ndl 1
33 "peak 147 #SUP 0.99 #QF 0.99" 33 49 33 76 parsed_2ndl 1
34 "peak 155 #SUP 0.99 #QF 0.99" 34 49 34 76 parsed_2ndl 1
35 "peak 156 #SUP 1.00" 35 49 35 67 parsed_2ndl 1
36 "peak 157 #SUP 0.96 #QF 0.96" 36 49 36 76 parsed_2ndl 1
37 "peak 158 #SUP 0.89 #QF 0.89" 37 49 37 76 parsed_2ndl 1
38 "peak 165 #SUP 0.94 #QF 0.94" 38 49 38 76 parsed_2ndl 1
39 "peak 166 #SUP 0.99 #QF 0.99" 39 49 39 76 parsed_2ndl 1
40 "peak 170 #SUP 1.00" 40 49 40 67 parsed_2ndl 1
41 "peak 171 #SUP 0.96 #QF 0.96" 41 49 41 76 parsed_2ndl 1
42 "peak 173 #SUP 1.00" 42 49 42 67 parsed_2ndl 1
43 "peak 174 #SUP 1.00" 43 49 43 67 parsed_2ndl 1
44 "peak 179 #SUP 1.00" 44 49 44 67 parsed_2ndl 1
45 "peak 184 #SUP 1.00" 45 49 45 67 parsed_2ndl 1
46 "peak 194 #SUP 0.99 #QF 0.99" 46 49 46 76 parsed_2ndl 1
47 "peak 196 #SUP 0.70 #QF 0.70" 47 49 47 76 parsed_2ndl 1
48 "peak 209 #SUP 0.83 #QF 0.83" 48 49 48 76 parsed_2ndl 1
49 "peak 210 #SUP 0.50 #QF 0.50" 49 49 49 76 parsed_2ndl 1
50 "peak 212 #SUP 0.42 #QF 0.42" 50 49 50 76 parsed_2ndl 1
51 "peak 218 #SUP 1.00" 51 49 51 67 parsed_2ndl 1
52 "peak 220 #SUP 0.97 #QF 0.97" 52 49 52 76 parsed_2ndl 1
53 "peak 222 #SUP 0.95 #QF 0.95" 53 49 53 76 parsed_2ndl 1
54 "peak 223 #SUP 0.77 #QF 0.77" 54 49 54 76 parsed_2ndl 1
55 "peak 225 #SUP 0.75 #QF 0.75" 55 49 55 76 parsed_2ndl 1
56 "peak 227 #SUP 0.99 #QF 0.99" 56 49 56 76 parsed_2ndl 1
57 "peak 229 #SUP 0.89 #QF 0.89" 57 49 57 76 parsed_2ndl 1
58 "peak 230 #SUP 0.94 #QF 0.94" 58 49 58 76 parsed_2ndl 1
59 "peak 231 #SUP 0.96 #QF 0.96" 59 49 59 76 parsed_2ndl 1
60 "peak 233 #SUP 0.70 #QF 0.70" 60 49 60 76 parsed_2ndl 1
61 "peak 236 #SUP 0.79 #QF 0.79" 61 49 61 76 parsed_2ndl 1
62 "peak 237 #SUP 0.43 #QF 0.43" 62 49 62 76 parsed_2ndl 1
63 "peak 238 #SUP 0.42 #QF 0.42" 63 49 63 76 parsed_2ndl 1
64 "peak 249 #SUP 0.91 #QF 0.91" 64 49 64 76 parsed_2ndl 1
65 "peak 252 #SUP 0.99 #QF 0.99" 65 49 65 76 parsed_2ndl 1
66 "peak 258 #SUP 0.69 #QF 0.69" 66 49 66 76 parsed_2ndl 1
67 "peak 260 #SUP 0.97 #QF 0.97" 67 49 67 76 parsed_2ndl 1
68 "peak 262 #SUP 0.65 #QF 0.65" 68 49 68 76 parsed_2ndl 1
69 "peak 263 #SUP 0.60 #QF 0.60" 69 49 69 76 parsed_2ndl 1
70 "peak 264 #SUP 0.88 #QF 0.80" 70 49 70 76 parsed_2ndl 1
71 "peak 268 #SUP 0.63 #QF 0.63" 71 49 71 76 parsed_2ndl 1
72 "peak 272 #SUP 0.94 #QF 0.94" 72 49 72 76 parsed_2ndl 1
73 "peak 274 #SUP 0.71 #QF 0.71" 73 49 73 76 parsed_2ndl 1
74 "peak 291 #SUP 0.85 #QF 0.85" 74 49 74 76 parsed_2ndl 1
75 "peak 292 #SUP 0.77 #QF 0.77" 75 49 75 76 parsed_2ndl 1
76 "peak 303 #SUP 0.99 #QF 0.99" 76 49 76 76 parsed_2ndl 1
77 "peak 311 #SUP 0.89 #QF 0.89" 77 49 77 76 parsed_2ndl 1
78 "peak 349 #SUP 1.00" 78 49 78 67 parsed_2ndl 1
79 "peak 350 #SUP 0.97 #QF 0.97" 79 49 79 76 parsed_2ndl 1
80 "peak 351 #SUP 0.59 #QF 0.59" 80 49 80 76 parsed_2ndl 1
81 "peak 352 #SUP 0.75 #QF 0.75" 81 49 81 76 parsed_2ndl 1
82 "peak 353 #SUP 0.70 #QF 0.70" 82 49 82 76 parsed_2ndl 1
83 "peak 356 #SUP 1.00" 83 49 83 67 parsed_2ndl 1
84 "peak 357 #SUP 1.00" 84 49 84 67 parsed_2ndl 1
85 "peak 358 #SUP 0.86 #QF 0.86" 85 49 85 76 parsed_2ndl 1
86 "peak 362 #SUP 0.95 #QF 0.95" 86 49 86 76 parsed_2ndl 1
87 "peak 363 #SUP 0.91 #QF 0.91" 87 49 87 76 parsed_2ndl 1
88 "peak 368 #SUP 1.00" 88 49 88 67 parsed_2ndl 1
89 "peak 370 #SUP 0.96 #QF 0.96" 89 49 89 76 parsed_2ndl 1
90 "peak 371 #SUP 0.91 #QF 0.91" 90 49 90 76 parsed_2ndl 1
91 "peak 372 #SUP 0.93 #QF 0.93" 91 49 91 76 parsed_2ndl 1
92 "peak 373 #SUP 0.91 #QF 0.91" 92 49 92 76 parsed_2ndl 1
93 "peak 374 #SUP 0.79 #QF 0.79" 93 49 93 76 parsed_2ndl 1
94 "peak 375 #SUP 0.68 #QF 0.68" 94 49 94 76 parsed_2ndl 1
95 "peak 376 #SUP 0.97 #QF 0.97" 95 49 95 76 parsed_2ndl 1
96 "peak 385 #SUP 0.97 #QF 0.97" 96 49 96 76 parsed_2ndl 1
97 "peak 386 #SUP 0.82 #QF 0.82" 97 49 97 76 parsed_2ndl 1
98 "peak 395 #SUP 0.79 #QF 0.79" 98 49 98 76 parsed_2ndl 1
99 "peak 398 #SUP 0.97 #QF 0.97" 99 49 99 76 parsed_2ndl 1
100 "peak 400 #SUP 0.97 #QF 0.97" 100 49 100 76 parsed_2ndl 1
101 "peak 404 #SUP 0.94 #QF 0.94" 101 49 101 76 parsed_2ndl 1
102 "peak 405 #SUP 0.99 #QF 0.99" 102 49 102 76 parsed_2ndl 1
103 "peak 406 #SUP 0.76 #QF 0.61" 103 49 103 76 parsed_2ndl 1
104 "peak 407 #SUP 0.99 #QF 0.99" 104 49 104 76 parsed_2ndl 1
105 "peak 408 #SUP 1.00" 105 49 105 67 parsed_2ndl 1
106 "peak 411 #SUP 0.81 #QF 0.81" 106 49 106 76 parsed_2ndl 1
107 "peak 426 #SUP 0.66 #QF 0.66" 107 49 107 76 parsed_2ndl 1
108 "peak 427 #SUP 0.97 #QF 0.97" 108 49 108 76 parsed_2ndl 1
109 "peak 428 #SUP 0.93 #QF 0.93" 109 49 109 76 parsed_2ndl 1
110 "peak 434 #SUP 0.95 #QF 0.95" 110 49 110 76 parsed_2ndl 1
111 "peak 436 #SUP 0.98 #QF 0.98" 111 49 111 76 parsed_2ndl 1
112 "peak 4" 112 49 112 55 parsed_2ndl 1
113 "peak 211" 113 49 113 57 parsed_2ndl 1
114 "peak 11" 114 49 114 56 parsed_2ndl 1
115 "peak 267" 115 49 115 57 parsed_2ndl 1
116 "peak 229" 116 49 116 57 parsed_2ndl 1
117 "peak 230" 117 49 117 57 parsed_2ndl 1
118 "peak 369" 118 49 118 57 parsed_2ndl 1
119 "peak 368" 119 49 119 57 parsed_2ndl 1
120 "peak 364" 120 49 120 57 parsed_2ndl 1
121 "peak 123" 121 49 121 57 parsed_2ndl 1
122 "peak 194" 122 49 122 57 parsed_2ndl 1
123 "peak 420" 123 49 123 57 parsed_2ndl 1
124 "peak 162" 124 49 124 57 parsed_2ndl 1
125 "peak 161" 125 49 125 57 parsed_2ndl 1
126 "peak 25" 126 49 126 56 parsed_2ndl 1
127 "peak 30" 127 49 127 56 parsed_2ndl 1
128 "peak 166" 128 49 128 57 parsed_2ndl 1
129 "peak 35" 129 49 129 56 parsed_2ndl 1
130 "peak 167" 130 49 130 57 parsed_2ndl 1
131 "peak 367" 131 49 131 57 parsed_2ndl 1
132 "peak 67" 132 49 132 56 parsed_2ndl 1
133 "peak 41" 133 49 133 56 parsed_2ndl 1
134 "peak 71" 134 49 134 56 parsed_2ndl 1
135 "peak 74" 135 49 135 56 parsed_2ndl 1
136 "peak 225" 136 49 136 57 parsed_2ndl 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ndl
_Distance_constraint_list.ID 2
_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_2ndl 2
2 1 . . . parsed_2ndl 2
3 1 . . . parsed_2ndl 2
4 1 . . . parsed_2ndl 2
5 1 . . . parsed_2ndl 2
6 1 . . . parsed_2ndl 2
7 1 . . . parsed_2ndl 2
8 1 . . . parsed_2ndl 2
9 1 . . . parsed_2ndl 2
10 1 . . . parsed_2ndl 2
11 1 . . . parsed_2ndl 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 . . . . . . . . . 4 PHE H parsed_2ndl 2
1 1 2 . . . . . . . . . 12 PHE O parsed_2ndl 2
2 1 1 . . . . . . . . . 4 PHE N parsed_2ndl 2
2 1 2 . . . . . . . . . 12 PHE O parsed_2ndl 2
3 1 1 . . . . . . . . . 12 PHE H parsed_2ndl 2
3 1 2 . . . . . . . . . 4 PHE O parsed_2ndl 2
4 1 1 . . . . . . . . . 12 PHE N parsed_2ndl 2
4 1 2 . . . . . . . . . 4 PHE O parsed_2ndl 2
5 1 1 . . . . . . . . . 14 ILE H parsed_2ndl 2
5 1 2 . . . . . . . . . 2 PRO O parsed_2ndl 2
6 1 1 . . . . . . . . . 14 ILE N parsed_2ndl 2
6 1 2 . . . . . . . . . 2 PRO O parsed_2ndl 2
7 1 1 . . . . . . . . . 5 PRO HA parsed_2ndl 2
7 1 2 . . . . . . . . . 11 PRO HA parsed_2ndl 2
8 1 1 . . . . . . . . . 6 MET H parsed_2ndl 2
8 1 2 . . . . . . . . . 10 GLY O parsed_2ndl 2
9 1 1 . . . . . . . . . 6 MET N parsed_2ndl 2
9 1 2 . . . . . . . . . 10 GLY O parsed_2ndl 2
10 1 1 . . . . . . . . . 10 GLY H parsed_2ndl 2
10 1 2 . . . . . . . . . 6 MET O parsed_2ndl 2
11 1 1 . . . . . . . . . 10 GLY N parsed_2ndl 2
11 1 2 . . . . . . . . . 6 MET O parsed_2ndl 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 . . . . . . . 2.3 parsed_2ndl 2
2 1 . . . . . . . 3.3 parsed_2ndl 2
3 1 . . . . . . . 2.3 parsed_2ndl 2
4 1 . . . . . . . 3.3 parsed_2ndl 2
5 1 . . . . . . . 2.3 parsed_2ndl 2
6 1 . . . . . . . 3.3 parsed_2ndl 2
7 1 . . . . . . . 3.5 parsed_2ndl 2
8 1 . . . . . . . 2.3 parsed_2ndl 2
9 1 . . . . . . . 3.3 parsed_2ndl 2
10 1 . . . . . . . 2.3 parsed_2ndl 2
11 1 . . . . . . . 3.3 parsed_2ndl 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 "3 CYSS HA 13 CYSS HA 3" 7 1 7 23 parsed_2ndl 2
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ndl
_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 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 MET . . . . . . . . . . . . . parsed_2ndl 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 "2 P -67.229 -25.300 6.308 5.027 4.555 0.884 25 12 Strong" 1 1 1 72 parsed_2ndl 1
2 "2 PRO PHI -87.2 -47.2" 2 4 2 34 parsed_2ndl 1
3 "2 PRO PSI -45.3 -5.3" 3 4 3 34 parsed_2ndl 1
4 "3 c -94.166 -11.080 13.499 16.475 4.672 0.893 25 13 Strong" 5 1 5 72 parsed_2ndl 1
5 "3 CYSS PHI -121.2 -67.2" 6 4 6 34 parsed_2ndl 1
6 "3 CYSS PSI -44.0 21.9" 7 4 7 34 parsed_2ndl 1
7 "5 P -59.520 -33.813 6.450 8.090 2.827 0.866 25 13 Strong" 9 1 9 72 parsed_2ndl 1
8 "5 PRO PHI -79.5 -39.5" 10 4 10 34 parsed_2ndl 1
9 "5 PRO PSI -53.8 -13.8" 11 4 11 34 parsed_2ndl 1
10 "6 M -90.183 -10.370 13.378 17.098 1.998 0.852 25 12 Strong" 13 1 13 72 parsed_2ndl 1
11 "6 MET PHI -116.9 -63.4" 14 4 14 34 parsed_2ndl 1
12 "6 MET PSI -44.6 23.8" 15 4 15 34 parsed_2ndl 1
13 "7 G -55.717 -55.468 8.023 8.198 0.000 0.858 10 12 Generous" 17 1 17 74 parsed_2ndl 1
14 "7 GLY PHI -85.7 -25.7" 18 4 18 34 parsed_2ndl 1
15 "7 GLY PSI -85.5 -25.5" 19 4 19 34 parsed_2ndl 1
16 "8 P -58.661 -35.190 5.948 8.951 0.947 0.869 25 12 Strong" 21 1 21 72 parsed_2ndl 1
17 "8 PRO PHI -78.7 -38.7" 22 4 22 34 parsed_2ndl 1
18 "8 PRO PSI -55.2 -15.2" 23 4 23 34 parsed_2ndl 1
19 "9 W -72.109 -31.373 12.433 10.818 1.066 0.884 25 12 Strong" 25 1 25 72 parsed_2ndl 1
20 "9 TRP PHI -97.0 -47.2" 26 4 26 34 parsed_2ndl 1
21 "9 TRP PSI -53.0 -9.7" 27 4 27 34 parsed_2ndl 1
22 "10 G 153.248 175.070 30.353 9.767 2.873 0.885 25 12 Strong" 29 1 29 72 parsed_2ndl 1
23 "10 GLY PHI 92.5 214.0" 30 3 30 34 parsed_2ndl 1
24 "10 GLY PSI 155.1 195.1" 31 3 31 34 parsed_2ndl 1
25 "12 F -124.658 150.542 13.129 9.170 1.902 0.861 25 13 Strong" 33 1 33 72 parsed_2ndl 1
26 "12 PHE PHI -150.9 -98.4" 34 3 34 34 parsed_2ndl 1
27 "12 PHE PSI 130.5 170.5" 35 3 35 34 parsed_2ndl 1
28 "13 c -126.016 140.152 21.741 11.573 2.547 0.852 25 15 Strong" 37 1 37 72 parsed_2ndl 1
29 "13 CYSS PHI -169.5 -82.5" 38 3 38 34 parsed_2ndl 1
30 "13 CYSS PSI 117.0 163.3" 39 3 39 34 parsed_2ndl 1
31 "14 I -104.356 137.654 25.518 19.737 2.910 0.839 25 13 Strong" 41 1 41 72 parsed_2ndl 1
32 "14 ILE PHI -155.4 -53.3" 42 3 42 34 parsed_2ndl 1
33 "14 ILE PSI 98.2 177.1" 43 3 43 34 parsed_2ndl 1
34 "15 P -55.650 -32.454 5.001 6.901 1.830 0.838 25 13 Strong" 45 1 45 72 parsed_2ndl 1
35 "15 PRO PHI -75.7 -35.6" 46 3 46 34 parsed_2ndl 1
36 "15 PRO PSI -52.5 -12.5" 47 3 47 34 parsed_2ndl 1
37 "16 D -65.054 -26.880 8.342 14.621 2.029 0.829 10 12 Generous" 49 1 49 74 parsed_2ndl 1
38 "16 ASP PHI -95.1 -35.1" 50 3 50 34 parsed_2ndl 1
39 "16 ASP PSI -70.7 17.0" 51 3 51 34 parsed_2ndl 1
40 "CHI1 from Talosn in agreement with original structure" 53 1 53 54 parsed_2ndl 1
41 "12 PHE CHI1 -90.0 -30.0" 55 3 55 35 parsed_2ndl 1
42 "14 ILE CHI1 -90.0 -30.0" 56 3 56 35 parsed_2ndl 1
43 "16 ASP CHI1 -90.0 -30.0" 57 3 57 35 parsed_2ndl 1
stop_
save_