Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
607769 | 5lfh RC | 34017 | cing | 2-parsed | STAR | entry | full | 125 |
data_5lfh_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5lfh
_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_5lfh 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5lfh
_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 5lfh "Master copy" parsed_5lfh
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5lfh
_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 5lfh.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5lfh 1
1 5lfh.mr . . DYANA/DIANA 2 distance NOE simple 125 parsed_5lfh 1
1 5lfh.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5lfh 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_5lfh
_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 01-JUL-16 5LFH
*TITLE NMR STRUCTURE OF PEPTIDE 10 TARGETING CXCR4
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 OTHER_DETAILS: ACE-ARG-ALA-DCY-ARG-PHE-PHE-CYS
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 4 ORGANISM_COMMON: HUMAN;
*SOURCE 5 ORGANISM_TAXID: 9606
*KEYWDS CXCR4, CXCL12, CXCR4 ANTAGONISTS, CANCER, MOLECULAR INVASION, DRUG
*KEYWDS 2 DESIGN, CHEMOKINE, CYTOKINE
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR S.DI MARO,A.M.TROTTA,D.BRANCACCIO,F.S.DI LEVA,V.LA PIETRA,C.IERANO,
*AUTHOR 2 M.NAPOLITANO,L.PORTELLA,C.D'ALTERIO,R.A.SICILIANO,D.SEMENTA,
*AUTHOR 3 S.TOMASSI,A.CAROTENUTO,E.NOVELLINO,S.SCALA,L.MARINELLI
*REVDAT 1 07-SEP-16 5LFH 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5lfh
_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_5lfh 1
2 1 . . . parsed_5lfh 1
3 1 . . . parsed_5lfh 1
4 1 . . . parsed_5lfh 1
5 1 . . . parsed_5lfh 1
6 1 . . . parsed_5lfh 1
7 1 . . . parsed_5lfh 1
8 1 . . . parsed_5lfh 1
9 1 . . . parsed_5lfh 1
10 1 . . . parsed_5lfh 1
11 1 . . . parsed_5lfh 1
12 1 . . . parsed_5lfh 1
13 1 . . . parsed_5lfh 1
14 1 . . . parsed_5lfh 1
15 1 . . . parsed_5lfh 1
16 1 . . . parsed_5lfh 1
17 1 . . . parsed_5lfh 1
18 1 . . . parsed_5lfh 1
19 1 . . . parsed_5lfh 1
20 1 . . . parsed_5lfh 1
21 1 . . . parsed_5lfh 1
22 1 . . . parsed_5lfh 1
23 1 . . . parsed_5lfh 1
24 1 . . . parsed_5lfh 1
25 1 . . . parsed_5lfh 1
26 1 . . . parsed_5lfh 1
27 1 . . . parsed_5lfh 1
28 1 . . . parsed_5lfh 1
29 1 . . . parsed_5lfh 1
30 1 . . . parsed_5lfh 1
31 1 . . . parsed_5lfh 1
32 1 . . . parsed_5lfh 1
33 1 . . . parsed_5lfh 1
34 1 . . . parsed_5lfh 1
35 1 . . . parsed_5lfh 1
36 1 . . . parsed_5lfh 1
37 1 . . . parsed_5lfh 1
38 1 . . . parsed_5lfh 1
39 1 . . . parsed_5lfh 1
40 1 . . . parsed_5lfh 1
41 1 . . . parsed_5lfh 1
42 1 . . . parsed_5lfh 1
43 1 . . . parsed_5lfh 1
44 1 . . . parsed_5lfh 1
45 1 . . . parsed_5lfh 1
46 1 . . . parsed_5lfh 1
47 1 . . . parsed_5lfh 1
48 1 . . . parsed_5lfh 1
49 1 . . . parsed_5lfh 1
50 1 . . . parsed_5lfh 1
51 1 . . . parsed_5lfh 1
52 1 . . . parsed_5lfh 1
53 1 . . . parsed_5lfh 1
54 1 . . . parsed_5lfh 1
55 1 . . . parsed_5lfh 1
56 1 . . . parsed_5lfh 1
57 1 . . . parsed_5lfh 1
58 1 . . . parsed_5lfh 1
59 1 . . . parsed_5lfh 1
60 1 . . . parsed_5lfh 1
61 1 . . . parsed_5lfh 1
62 1 . . . parsed_5lfh 1
63 1 . . . parsed_5lfh 1
64 1 . . . parsed_5lfh 1
65 1 . . . parsed_5lfh 1
66 1 . . . parsed_5lfh 1
67 1 . . . parsed_5lfh 1
68 1 . . . parsed_5lfh 1
69 1 . . . parsed_5lfh 1
70 1 . . . parsed_5lfh 1
71 1 . . . parsed_5lfh 1
72 1 . . . parsed_5lfh 1
73 1 . . . parsed_5lfh 1
74 1 . . . parsed_5lfh 1
75 1 . . . parsed_5lfh 1
76 1 . . . parsed_5lfh 1
77 1 . . . parsed_5lfh 1
78 1 . . . parsed_5lfh 1
79 1 . . . parsed_5lfh 1
80 1 . . . parsed_5lfh 1
81 1 . . . parsed_5lfh 1
82 1 . . . parsed_5lfh 1
83 1 . . . parsed_5lfh 1
84 1 . . . parsed_5lfh 1
85 1 . . . parsed_5lfh 1
86 1 . . . parsed_5lfh 1
87 1 . . . parsed_5lfh 1
88 1 . . . parsed_5lfh 1
89 1 . . . parsed_5lfh 1
90 1 . . . parsed_5lfh 1
91 1 . . . parsed_5lfh 1
92 1 . . . parsed_5lfh 1
93 1 . . . parsed_5lfh 1
94 1 . . . parsed_5lfh 1
95 1 . . . parsed_5lfh 1
96 1 . . . parsed_5lfh 1
97 1 . . . parsed_5lfh 1
98 1 . . . parsed_5lfh 1
99 1 . . . parsed_5lfh 1
100 1 . . . parsed_5lfh 1
101 1 . . . parsed_5lfh 1
102 1 . . . parsed_5lfh 1
103 1 . . . parsed_5lfh 1
104 1 . . . parsed_5lfh 1
105 1 . . . parsed_5lfh 1
106 1 . . . parsed_5lfh 1
107 1 . . . parsed_5lfh 1
108 1 . . . parsed_5lfh 1
109 1 . . . parsed_5lfh 1
110 1 . . . parsed_5lfh 1
111 1 . . . parsed_5lfh 1
112 1 . . . parsed_5lfh 1
113 1 . . . parsed_5lfh 1
114 1 . . . parsed_5lfh 1
115 1 . . . parsed_5lfh 1
116 1 . . . parsed_5lfh 1
117 1 . . . parsed_5lfh 1
118 1 . . . parsed_5lfh 1
119 1 . . . parsed_5lfh 1
120 1 . . . parsed_5lfh 1
121 1 . . . parsed_5lfh 1
122 1 . . . parsed_5lfh 1
123 1 . . . parsed_5lfh 1
124 1 . . . parsed_5lfh 1
125 1 . . . parsed_5lfh 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 . . . . . . . . . 0 ACE QH parsed_5lfh 1
1 1 2 . . . . . . . . . 1 ARG+ HA parsed_5lfh 1
2 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
2 1 2 . . . . . . . . . 1 ARG+ QD parsed_5lfh 1
3 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
3 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
4 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
4 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
5 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
5 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
6 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
6 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
7 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
7 1 2 . . . . . . . . . 6 PHE QB parsed_5lfh 1
8 1 1 . . . . . . . . . 0 ACE QH parsed_5lfh 1
8 1 2 . . . . . . . . . 6 PHE QD parsed_5lfh 1
9 1 1 . . . . . . . . . 1 ARG+ HN parsed_5lfh 1
9 1 2 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
10 1 1 . . . . . . . . . 1 ARG+ HN parsed_5lfh 1
10 1 2 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
11 1 1 . . . . . . . . . 1 ARG+ HN parsed_5lfh 1
11 1 2 . . . . . . . . . 1 ARG+ QB parsed_5lfh 1
12 1 1 . . . . . . . . . 1 ARG+ HN parsed_5lfh 1
12 1 2 . . . . . . . . . 1 ARG+ QG parsed_5lfh 1
13 1 1 . . . . . . . . . 1 ARG+ HN parsed_5lfh 1
13 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
14 1 1 . . . . . . . . . 1 ARG+ HA parsed_5lfh 1
14 1 2 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
15 1 1 . . . . . . . . . 1 ARG+ HA parsed_5lfh 1
15 1 2 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
16 1 1 . . . . . . . . . 1 ARG+ HA parsed_5lfh 1
16 1 2 . . . . . . . . . 1 ARG+ QD parsed_5lfh 1
17 1 1 . . . . . . . . . 1 ARG+ HA parsed_5lfh 1
17 1 2 . . . . . . . . . 1 ARG+ HE parsed_5lfh 1
18 1 1 . . . . . . . . . 1 ARG+ HA parsed_5lfh 1
18 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
19 1 1 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
19 1 2 . . . . . . . . . 1 ARG+ HE parsed_5lfh 1
20 1 1 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
20 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
21 1 1 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
21 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
22 1 1 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
22 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
23 1 1 . . . . . . . . . 1 ARG+ HB2 parsed_5lfh 1
23 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
24 1 1 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
24 1 2 . . . . . . . . . 1 ARG+ HE parsed_5lfh 1
25 1 1 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
25 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
26 1 1 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
26 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
27 1 1 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
27 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
28 1 1 . . . . . . . . . 1 ARG+ HB3 parsed_5lfh 1
28 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
29 1 1 . . . . . . . . . 1 ARG+ QB parsed_5lfh 1
29 1 2 . . . . . . . . . 1 ARG+ HE parsed_5lfh 1
30 1 1 . . . . . . . . . 1 ARG+ QB parsed_5lfh 1
30 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
31 1 1 . . . . . . . . . 1 ARG+ QB parsed_5lfh 1
31 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
32 1 1 . . . . . . . . . 1 ARG+ QG parsed_5lfh 1
32 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
33 1 1 . . . . . . . . . 1 ARG+ QG parsed_5lfh 1
33 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
34 1 1 . . . . . . . . . 1 ARG+ QG parsed_5lfh 1
34 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
35 1 1 . . . . . . . . . 1 ARG+ QD parsed_5lfh 1
35 1 2 . . . . . . . . . 2 ALA HN parsed_5lfh 1
36 1 1 . . . . . . . . . 2 ALA HN parsed_5lfh 1
36 1 2 . . . . . . . . . 2 ALA HA parsed_5lfh 1
37 1 1 . . . . . . . . . 2 ALA HN parsed_5lfh 1
37 1 2 . . . . . . . . . 2 ALA QB parsed_5lfh 1
38 1 1 . . . . . . . . . 2 ALA HN parsed_5lfh 1
38 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
39 1 1 . . . . . . . . . 2 ALA HA parsed_5lfh 1
39 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
40 1 1 . . . . . . . . . 2 ALA QB parsed_5lfh 1
40 1 2 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
41 1 1 . . . . . . . . . 2 ALA QB parsed_5lfh 1
41 1 2 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
42 1 1 . . . . . . . . . 2 ALA QB parsed_5lfh 1
42 1 2 . . . . . . . . . 3 DCSS HB2 parsed_5lfh 1
43 1 1 . . . . . . . . . 2 ALA QB parsed_5lfh 1
43 1 2 . . . . . . . . . 3 DCSS HB3 parsed_5lfh 1
44 1 1 . . . . . . . . . 2 ALA QB parsed_5lfh 1
44 1 2 . . . . . . . . . 6 PHE QD parsed_5lfh 1
45 1 1 . . . . . . . . . 2 ALA QB parsed_5lfh 1
45 1 2 . . . . . . . . . 6 PHE QE parsed_5lfh 1
46 1 1 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
46 1 2 . . . . . . . . . 3 DCSS HB2 parsed_5lfh 1
47 1 1 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
47 1 2 . . . . . . . . . 3 DCSS HB3 parsed_5lfh 1
48 1 1 . . . . . . . . . 3 DCSS HN parsed_5lfh 1
48 1 2 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
49 1 1 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
49 1 2 . . . . . . . . . 3 DCSS HB2 parsed_5lfh 1
50 1 1 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
50 1 2 . . . . . . . . . 3 DCSS HB3 parsed_5lfh 1
51 1 1 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
51 1 2 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
52 1 1 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
52 1 2 . . . . . . . . . 7 CYSS HB2 parsed_5lfh 1
53 1 1 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
53 1 2 . . . . . . . . . 7 CYSS HB3 parsed_5lfh 1
54 1 1 . . . . . . . . . 3 DCSS HA parsed_5lfh 1
54 1 2 . . . . . . . . . 7 CYSS QB parsed_5lfh 1
55 1 1 . . . . . . . . . 3 DCSS HB2 parsed_5lfh 1
55 1 2 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
56 1 1 . . . . . . . . . 3 DCSS HB2 parsed_5lfh 1
56 1 2 . . . . . . . . . 7 CYSS HA parsed_5lfh 1
57 1 1 . . . . . . . . . 3 DCSS HB3 parsed_5lfh 1
57 1 2 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
58 1 1 . . . . . . . . . 3 DCSS HB3 parsed_5lfh 1
58 1 2 . . . . . . . . . 7 CYSS HA parsed_5lfh 1
59 1 1 . . . . . . . . . 3 DCSS QB parsed_5lfh 1
59 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
60 1 1 . . . . . . . . . 3 DCSS QB parsed_5lfh 1
60 1 2 . . . . . . . . . 7 CYSS HA parsed_5lfh 1
61 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
61 1 2 . . . . . . . . . 4 ARG+ HB2 parsed_5lfh 1
62 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
62 1 2 . . . . . . . . . 4 ARG+ HB3 parsed_5lfh 1
63 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
63 1 2 . . . . . . . . . 4 ARG+ QB parsed_5lfh 1
64 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
64 1 2 . . . . . . . . . 4 ARG+ QG parsed_5lfh 1
65 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
65 1 2 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
66 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
66 1 2 . . . . . . . . . 4 ARG+ HE parsed_5lfh 1
67 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
67 1 2 . . . . . . . . . 5 PHE HN parsed_5lfh 1
68 1 1 . . . . . . . . . 4 ARG+ HN parsed_5lfh 1
68 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
69 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
69 1 2 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
70 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
70 1 2 . . . . . . . . . 4 ARG+ HE parsed_5lfh 1
71 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
71 1 2 . . . . . . . . . 5 PHE HN parsed_5lfh 1
72 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
72 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
73 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
73 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
74 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
74 1 2 . . . . . . . . . 5 PHE QE parsed_5lfh 1
75 1 1 . . . . . . . . . 4 ARG+ HA parsed_5lfh 1
75 1 2 . . . . . . . . . 6 PHE HN parsed_5lfh 1
76 1 1 . . . . . . . . . 4 ARG+ HB2 parsed_5lfh 1
76 1 2 . . . . . . . . . 5 PHE HN parsed_5lfh 1
77 1 1 . . . . . . . . . 4 ARG+ HB2 parsed_5lfh 1
77 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
78 1 1 . . . . . . . . . 4 ARG+ HB2 parsed_5lfh 1
78 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
79 1 1 . . . . . . . . . 4 ARG+ HB2 parsed_5lfh 1
79 1 2 . . . . . . . . . 5 PHE QE parsed_5lfh 1
80 1 1 . . . . . . . . . 4 ARG+ HB2 parsed_5lfh 1
80 1 2 . . . . . . . . . 5 PHE HZ parsed_5lfh 1
81 1 1 . . . . . . . . . 4 ARG+ HB3 parsed_5lfh 1
81 1 2 . . . . . . . . . 5 PHE HN parsed_5lfh 1
82 1 1 . . . . . . . . . 4 ARG+ HB3 parsed_5lfh 1
82 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
83 1 1 . . . . . . . . . 4 ARG+ HB3 parsed_5lfh 1
83 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
84 1 1 . . . . . . . . . 4 ARG+ HB3 parsed_5lfh 1
84 1 2 . . . . . . . . . 5 PHE QE parsed_5lfh 1
85 1 1 . . . . . . . . . 4 ARG+ HB3 parsed_5lfh 1
85 1 2 . . . . . . . . . 5 PHE HZ parsed_5lfh 1
86 1 1 . . . . . . . . . 4 ARG+ QB parsed_5lfh 1
86 1 2 . . . . . . . . . 4 ARG+ HE parsed_5lfh 1
87 1 1 . . . . . . . . . 4 ARG+ QG parsed_5lfh 1
87 1 2 . . . . . . . . . 5 PHE HN parsed_5lfh 1
88 1 1 . . . . . . . . . 4 ARG+ QG parsed_5lfh 1
88 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
89 1 1 . . . . . . . . . 4 ARG+ QG parsed_5lfh 1
89 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
90 1 1 . . . . . . . . . 4 ARG+ QG parsed_5lfh 1
90 1 2 . . . . . . . . . 5 PHE QE parsed_5lfh 1
91 1 1 . . . . . . . . . 4 ARG+ QG parsed_5lfh 1
91 1 2 . . . . . . . . . 5 PHE HZ parsed_5lfh 1
92 1 1 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
92 1 2 . . . . . . . . . 5 PHE HN parsed_5lfh 1
93 1 1 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
93 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
94 1 1 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
94 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
95 1 1 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
95 1 2 . . . . . . . . . 5 PHE QE parsed_5lfh 1
96 1 1 . . . . . . . . . 4 ARG+ QD parsed_5lfh 1
96 1 2 . . . . . . . . . 5 PHE HZ parsed_5lfh 1
97 1 1 . . . . . . . . . 5 PHE HN parsed_5lfh 1
97 1 2 . . . . . . . . . 5 PHE QB parsed_5lfh 1
98 1 1 . . . . . . . . . 5 PHE HN parsed_5lfh 1
98 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
99 1 1 . . . . . . . . . 5 PHE HN parsed_5lfh 1
99 1 2 . . . . . . . . . 5 PHE QE parsed_5lfh 1
100 1 1 . . . . . . . . . 5 PHE HN parsed_5lfh 1
100 1 2 . . . . . . . . . 6 PHE HN parsed_5lfh 1
101 1 1 . . . . . . . . . 5 PHE HN parsed_5lfh 1
101 1 2 . . . . . . . . . 6 PHE QD parsed_5lfh 1
102 1 1 . . . . . . . . . 5 PHE HN parsed_5lfh 1
102 1 2 . . . . . . . . . 6 PHE QE parsed_5lfh 1
103 1 1 . . . . . . . . . 5 PHE HA parsed_5lfh 1
103 1 2 . . . . . . . . . 5 PHE QD parsed_5lfh 1
104 1 1 . . . . . . . . . 5 PHE HA parsed_5lfh 1
104 1 2 . . . . . . . . . 6 PHE QE parsed_5lfh 1
105 1 1 . . . . . . . . . 5 PHE QB parsed_5lfh 1
105 1 2 . . . . . . . . . 6 PHE HN parsed_5lfh 1
106 1 1 . . . . . . . . . 5 PHE QB parsed_5lfh 1
106 1 2 . . . . . . . . . 6 PHE HB2 parsed_5lfh 1
107 1 1 . . . . . . . . . 5 PHE QB parsed_5lfh 1
107 1 2 . . . . . . . . . 6 PHE HB3 parsed_5lfh 1
108 1 1 . . . . . . . . . 5 PHE QB parsed_5lfh 1
108 1 2 . . . . . . . . . 6 PHE QD parsed_5lfh 1
109 1 1 . . . . . . . . . 5 PHE QB parsed_5lfh 1
109 1 2 . . . . . . . . . 6 PHE QE parsed_5lfh 1
110 1 1 . . . . . . . . . 5 PHE QD parsed_5lfh 1
110 1 2 . . . . . . . . . 6 PHE HN parsed_5lfh 1
111 1 1 . . . . . . . . . 5 PHE QD parsed_5lfh 1
111 1 2 . . . . . . . . . 6 PHE QB parsed_5lfh 1
112 1 1 . . . . . . . . . 6 PHE HN parsed_5lfh 1
112 1 2 . . . . . . . . . 6 PHE HB2 parsed_5lfh 1
113 1 1 . . . . . . . . . 6 PHE HN parsed_5lfh 1
113 1 2 . . . . . . . . . 6 PHE HB3 parsed_5lfh 1
114 1 1 . . . . . . . . . 6 PHE HN parsed_5lfh 1
114 1 2 . . . . . . . . . 6 PHE QB parsed_5lfh 1
115 1 1 . . . . . . . . . 6 PHE HN parsed_5lfh 1
115 1 2 . . . . . . . . . 6 PHE QD parsed_5lfh 1
116 1 1 . . . . . . . . . 6 PHE HN parsed_5lfh 1
116 1 2 . . . . . . . . . 6 PHE QE parsed_5lfh 1
117 1 1 . . . . . . . . . 6 PHE HN parsed_5lfh 1
117 1 2 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
118 1 1 . . . . . . . . . 6 PHE HA parsed_5lfh 1
118 1 2 . . . . . . . . . 6 PHE QD parsed_5lfh 1
119 1 1 . . . . . . . . . 6 PHE HA parsed_5lfh 1
119 1 2 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
120 1 1 . . . . . . . . . 6 PHE QB parsed_5lfh 1
120 1 2 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
121 1 1 . . . . . . . . . 6 PHE QD parsed_5lfh 1
121 1 2 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
122 1 1 . . . . . . . . . 6 PHE QE parsed_5lfh 1
122 1 2 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
123 1 1 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
123 1 2 . . . . . . . . . 7 CYSS HB2 parsed_5lfh 1
124 1 1 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
124 1 2 . . . . . . . . . 7 CYSS HB3 parsed_5lfh 1
125 1 1 . . . . . . . . . 7 CYSS HN parsed_5lfh 1
125 1 2 . . . . . . . . . 7 CYSS QB parsed_5lfh 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 . . . . . . . 5.66 parsed_5lfh 1
2 1 . . . . . . . 7.40 parsed_5lfh 1
3 1 . . . . . . . 5.94 parsed_5lfh 1
4 1 . . . . . . . 6.53 parsed_5lfh 1
5 1 . . . . . . . 7.40 parsed_5lfh 1
6 1 . . . . . . . 8.65 parsed_5lfh 1
7 1 . . . . . . . 5.58 parsed_5lfh 1
8 1 . . . . . . . 8.65 parsed_5lfh 1
9 1 . . . . . . . 3.24 parsed_5lfh 1
10 1 . . . . . . . 3.24 parsed_5lfh 1
11 1 . . . . . . . 2.72 parsed_5lfh 1
12 1 . . . . . . . 4.86 parsed_5lfh 1
13 1 . . . . . . . 3.24 parsed_5lfh 1
14 1 . . . . . . . 3.05 parsed_5lfh 1
15 1 . . . . . . . 3.05 parsed_5lfh 1
16 1 . . . . . . . 5.73 parsed_5lfh 1
17 1 . . . . . . . 5.50 parsed_5lfh 1
18 1 . . . . . . . 2.74 parsed_5lfh 1
19 1 . . . . . . . 4.23 parsed_5lfh 1
20 1 . . . . . . . 3.52 parsed_5lfh 1
21 1 . . . . . . . 4.17 parsed_5lfh 1
22 1 . . . . . . . 6.38 parsed_5lfh 1
23 1 . . . . . . . 7.62 parsed_5lfh 1
24 1 . . . . . . . 4.23 parsed_5lfh 1
25 1 . . . . . . . 3.52 parsed_5lfh 1
26 1 . . . . . . . 4.17 parsed_5lfh 1
27 1 . . . . . . . 6.38 parsed_5lfh 1
28 1 . . . . . . . 7.62 parsed_5lfh 1
29 1 . . . . . . . 3.69 parsed_5lfh 1
30 1 . . . . . . . 3.03 parsed_5lfh 1
31 1 . . . . . . . 3.50 parsed_5lfh 1
32 1 . . . . . . . 6.38 parsed_5lfh 1
33 1 . . . . . . . 6.38 parsed_5lfh 1
34 1 . . . . . . . 8.50 parsed_5lfh 1
35 1 . . . . . . . 6.38 parsed_5lfh 1
36 1 . . . . . . . 2.80 parsed_5lfh 1
37 1 . . . . . . . 3.80 parsed_5lfh 1
38 1 . . . . . . . 3.02 parsed_5lfh 1
39 1 . . . . . . . 3.17 parsed_5lfh 1
40 1 . . . . . . . 4.76 parsed_5lfh 1
41 1 . . . . . . . 6.28 parsed_5lfh 1
42 1 . . . . . . . 6.53 parsed_5lfh 1
43 1 . . . . . . . 6.53 parsed_5lfh 1
44 1 . . . . . . . 8.65 parsed_5lfh 1
45 1 . . . . . . . 8.65 parsed_5lfh 1
46 1 . . . . . . . 3.11 parsed_5lfh 1
47 1 . . . . . . . 3.11 parsed_5lfh 1
48 1 . . . . . . . 2.99 parsed_5lfh 1
49 1 . . . . . . . 2.86 parsed_5lfh 1
50 1 . . . . . . . 2.86 parsed_5lfh 1
51 1 . . . . . . . 3.48 parsed_5lfh 1
52 1 . . . . . . . 4.04 parsed_5lfh 1
53 1 . . . . . . . 4.04 parsed_5lfh 1
54 1 . . . . . . . 3.50 parsed_5lfh 1
55 1 . . . . . . . 3.48 parsed_5lfh 1
56 1 . . . . . . . 4.32 parsed_5lfh 1
57 1 . . . . . . . 3.48 parsed_5lfh 1
58 1 . . . . . . . 4.32 parsed_5lfh 1
59 1 . . . . . . . 6.16 parsed_5lfh 1
60 1 . . . . . . . 3.79 parsed_5lfh 1
61 1 . . . . . . . 3.08 parsed_5lfh 1
62 1 . . . . . . . 3.08 parsed_5lfh 1
63 1 . . . . . . . 2.63 parsed_5lfh 1
64 1 . . . . . . . 6.38 parsed_5lfh 1
65 1 . . . . . . . 6.38 parsed_5lfh 1
66 1 . . . . . . . 5.50 parsed_5lfh 1
67 1 . . . . . . . 2.96 parsed_5lfh 1
68 1 . . . . . . . 7.62 parsed_5lfh 1
69 1 . . . . . . . 5.69 parsed_5lfh 1
70 1 . . . . . . . 5.50 parsed_5lfh 1
71 1 . . . . . . . 3.08 parsed_5lfh 1
72 1 . . . . . . . 6.00 parsed_5lfh 1
73 1 . . . . . . . 7.62 parsed_5lfh 1
74 1 . . . . . . . 7.62 parsed_5lfh 1
75 1 . . . . . . . 5.50 parsed_5lfh 1
76 1 . . . . . . . 3.42 parsed_5lfh 1
77 1 . . . . . . . 6.38 parsed_5lfh 1
78 1 . . . . . . . 7.50 parsed_5lfh 1
79 1 . . . . . . . 7.62 parsed_5lfh 1
80 1 . . . . . . . 5.50 parsed_5lfh 1
81 1 . . . . . . . 3.42 parsed_5lfh 1
82 1 . . . . . . . 6.38 parsed_5lfh 1
83 1 . . . . . . . 7.50 parsed_5lfh 1
84 1 . . . . . . . 7.62 parsed_5lfh 1
85 1 . . . . . . . 5.50 parsed_5lfh 1
86 1 . . . . . . . 3.90 parsed_5lfh 1
87 1 . . . . . . . 6.38 parsed_5lfh 1
88 1 . . . . . . . 7.25 parsed_5lfh 1
89 1 . . . . . . . 8.50 parsed_5lfh 1
90 1 . . . . . . . 8.50 parsed_5lfh 1
91 1 . . . . . . . 6.38 parsed_5lfh 1
92 1 . . . . . . . 6.38 parsed_5lfh 1
93 1 . . . . . . . 7.25 parsed_5lfh 1
94 1 . . . . . . . 8.50 parsed_5lfh 1
95 1 . . . . . . . 8.50 parsed_5lfh 1
96 1 . . . . . . . 6.38 parsed_5lfh 1
97 1 . . . . . . . 4.11 parsed_5lfh 1
98 1 . . . . . . . 7.00 parsed_5lfh 1
99 1 . . . . . . . 7.62 parsed_5lfh 1
100 1 . . . . . . . 3.36 parsed_5lfh 1
101 1 . . . . . . . 7.62 parsed_5lfh 1
102 1 . . . . . . . 7.62 parsed_5lfh 1
103 1 . . . . . . . 5.85 parsed_5lfh 1
104 1 . . . . . . . 7.62 parsed_5lfh 1
105 1 . . . . . . . 4.36 parsed_5lfh 1
106 1 . . . . . . . 6.38 parsed_5lfh 1
107 1 . . . . . . . 6.38 parsed_5lfh 1
108 1 . . . . . . . 8.28 parsed_5lfh 1
109 1 . . . . . . . 8.50 parsed_5lfh 1
110 1 . . . . . . . 7.62 parsed_5lfh 1
111 1 . . . . . . . 7.30 parsed_5lfh 1
112 1 . . . . . . . 4.01 parsed_5lfh 1
113 1 . . . . . . . 4.01 parsed_5lfh 1
114 1 . . . . . . . 3.36 parsed_5lfh 1
115 1 . . . . . . . 7.19 parsed_5lfh 1
116 1 . . . . . . . 7.62 parsed_5lfh 1
117 1 . . . . . . . 3.33 parsed_5lfh 1
118 1 . . . . . . . 5.79 parsed_5lfh 1
119 1 . . . . . . . 2.96 parsed_5lfh 1
120 1 . . . . . . . 4.00 parsed_5lfh 1
121 1 . . . . . . . 7.62 parsed_5lfh 1
122 1 . . . . . . . 7.62 parsed_5lfh 1
123 1 . . . . . . . 3.33 parsed_5lfh 1
124 1 . . . . . . . 3.33 parsed_5lfh 1
125 1 . . . . . . . 2.87 parsed_5lfh 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: P29_upl.txt" 1 1 1 32 parsed_5lfh 1
stop_
save_