NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
560321 |
2lsa   |
18420 | cing | 2-parsed | STAR | entry | full | 104 |
data_2lsa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lsa
_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_2lsa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lsa
_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 2lsa "Master copy" parsed_2lsa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lsa
_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 2lsa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lsa 1
1 2lsa.mr . . XPLOR/CNS 2 distance NOE simple 104 parsed_2lsa 1
1 2lsa.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lsa 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_2lsa
_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 ANTIMICROBIAL PROTEIN 24-APR-12 2LSA
*TITLE MAGAININ
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: MAGAININ-2;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: MAGAININ II;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS;
*SOURCE 4 ORGANISM_COMMON: CLAWED FROG,COMMON PLATANNA,PLATANNA;
*SOURCE 5 ORGANISM_TAXID: 8355
*KEYWDS ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR L.S.VERMEER, J.A.MASON
*REVDAT 1 03-APR-13 2LSA 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lsa
_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_2lsa 1
2 1 . . . parsed_2lsa 1
3 1 . . . parsed_2lsa 1
4 1 . . . parsed_2lsa 1
5 1 . . . parsed_2lsa 1
6 1 . . . parsed_2lsa 1
7 1 . . . parsed_2lsa 1
8 1 . . . parsed_2lsa 1
9 1 . . . parsed_2lsa 1
10 1 . . . parsed_2lsa 1
11 1 . . . parsed_2lsa 1
12 1 . . . parsed_2lsa 1
13 1 . . . parsed_2lsa 1
14 1 . . . parsed_2lsa 1
15 1 . . . parsed_2lsa 1
16 1 . . . parsed_2lsa 1
17 1 . . . parsed_2lsa 1
18 1 . . . parsed_2lsa 1
19 1 2 . OR parsed_2lsa 1
19 2 . 3 . parsed_2lsa 1
19 3 . 4 . parsed_2lsa 1
19 4 . . . parsed_2lsa 1
20 1 . . . parsed_2lsa 1
21 1 . . . parsed_2lsa 1
22 1 . . . parsed_2lsa 1
23 1 . . . parsed_2lsa 1
24 1 . . . parsed_2lsa 1
25 1 . . . parsed_2lsa 1
26 1 . . . parsed_2lsa 1
27 1 . . . parsed_2lsa 1
28 1 . . . parsed_2lsa 1
29 1 . . . parsed_2lsa 1
30 1 . . . parsed_2lsa 1
31 1 . . . parsed_2lsa 1
32 1 . . . parsed_2lsa 1
33 1 . . . parsed_2lsa 1
34 1 . . . parsed_2lsa 1
35 1 . . . parsed_2lsa 1
36 1 . . . parsed_2lsa 1
37 1 . . . parsed_2lsa 1
38 1 . . . parsed_2lsa 1
39 1 . . . parsed_2lsa 1
40 1 . . . parsed_2lsa 1
41 1 . . . parsed_2lsa 1
42 1 . . . parsed_2lsa 1
43 1 . . . parsed_2lsa 1
44 1 . . . parsed_2lsa 1
45 1 . . . parsed_2lsa 1
46 1 . . . parsed_2lsa 1
47 1 . . . parsed_2lsa 1
48 1 . . . parsed_2lsa 1
49 1 . . . parsed_2lsa 1
50 1 . . . parsed_2lsa 1
51 1 . . . parsed_2lsa 1
52 1 . . . parsed_2lsa 1
53 1 . . . parsed_2lsa 1
54 1 . . . parsed_2lsa 1
55 1 . . . parsed_2lsa 1
56 1 . . . parsed_2lsa 1
57 1 . . . parsed_2lsa 1
58 1 . . . parsed_2lsa 1
59 1 . . . parsed_2lsa 1
60 1 . . . parsed_2lsa 1
61 1 . . . parsed_2lsa 1
62 1 . . . parsed_2lsa 1
63 1 . . . parsed_2lsa 1
64 1 . . . parsed_2lsa 1
65 1 . . . parsed_2lsa 1
66 1 . . . parsed_2lsa 1
67 1 . . . parsed_2lsa 1
68 1 . . . parsed_2lsa 1
69 1 . . . parsed_2lsa 1
70 1 . . . parsed_2lsa 1
71 1 . . . parsed_2lsa 1
72 1 . . . parsed_2lsa 1
73 1 . . . parsed_2lsa 1
74 1 . . . parsed_2lsa 1
75 1 . . . parsed_2lsa 1
76 1 . . . parsed_2lsa 1
77 1 . . . parsed_2lsa 1
78 1 . . . parsed_2lsa 1
79 1 . . . parsed_2lsa 1
80 1 . . . parsed_2lsa 1
81 1 . . . parsed_2lsa 1
82 1 . . . parsed_2lsa 1
83 1 . . . parsed_2lsa 1
84 1 . . . parsed_2lsa 1
85 1 . . . parsed_2lsa 1
86 1 . . . parsed_2lsa 1
87 1 . . . parsed_2lsa 1
88 1 . . . parsed_2lsa 1
89 1 . . . parsed_2lsa 1
90 1 . . . parsed_2lsa 1
91 1 . . . parsed_2lsa 1
92 1 . . . parsed_2lsa 1
93 1 . . . parsed_2lsa 1
94 1 . . . parsed_2lsa 1
95 1 . . . parsed_2lsa 1
96 1 . . . parsed_2lsa 1
97 1 . . . parsed_2lsa 1
98 1 . . . parsed_2lsa 1
99 1 . . . parsed_2lsa 1
100 1 . . . parsed_2lsa 1
101 1 . . . parsed_2lsa 1
102 1 . . . parsed_2lsa 1
103 1 . . . parsed_2lsa 1
104 1 . . . parsed_2lsa 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 . . . . . . . . " A" 9 . HA parsed_2lsa 1
1 1 2 . . . . . . . . " A" 9 . HN parsed_2lsa 1
2 1 1 . . . . . . . . " A" 15 . HA parsed_2lsa 1
2 1 2 . . . . . . . . " A" 15 . HN parsed_2lsa 1
3 1 1 . . . . . . . . " A" 19 . HA parsed_2lsa 1
3 1 2 . . . . . . . . " A" 19 . HN parsed_2lsa 1
4 1 1 . . . . . . . . " A" 16 . HA parsed_2lsa 1
4 1 2 . . . . . . . . " A" 16 . HN parsed_2lsa 1
5 1 1 . . . . . . . . " A" 5 . HA parsed_2lsa 1
5 1 2 . . . . . . . . " A" 5 . HN parsed_2lsa 1
6 1 1 . . . . . . . . " A" 8 . HB2 parsed_2lsa 1
6 1 2 . . . . . . . . " A" 8 . HN parsed_2lsa 1
7 1 1 . . . . . . . . " A" 14 . HA parsed_2lsa 1
7 1 2 . . . . . . . . " A" 14 . HN parsed_2lsa 1
8 1 1 . . . . . . . . " A" 13 . HA2 parsed_2lsa 1
8 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
9 1 1 . . . . . . . . " A" 12 . HA parsed_2lsa 1
9 1 2 . . . . . . . . " A" 12 . HN parsed_2lsa 1
10 1 1 . . . . . . . . " A" 17 . HA parsed_2lsa 1
10 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
11 1 1 . . . . . . . . " A" 18 . HA2 parsed_2lsa 1
11 1 2 . . . . . . . . " A" 18 . HN parsed_2lsa 1
12 1 1 . . . . . . . . " A" 10 . HA parsed_2lsa 1
12 1 2 . . . . . . . . " A" 10 . HN parsed_2lsa 1
13 1 1 . . . . . . . . " A" 6 . HA parsed_2lsa 1
13 1 2 . . . . . . . . " A" 6 . HN parsed_2lsa 1
14 1 1 . . . . . . . . " A" 4 . HA parsed_2lsa 1
14 1 2 . . . . . . . . " A" 4 . HN parsed_2lsa 1
15 1 1 . . . . . . . . " A" 11 . HA parsed_2lsa 1
15 1 2 . . . . . . . . " A" 11 . HN parsed_2lsa 1
16 1 1 . . . . . . . . " A" 20 . HA parsed_2lsa 1
16 1 2 . . . . . . . . " A" 20 . HN parsed_2lsa 1
17 1 1 . . . . . . . . " A" 7 . HA parsed_2lsa 1
17 1 2 . . . . . . . . " A" 7 . HN parsed_2lsa 1
18 1 1 . . . . . . . . " A" 3 . HA2 parsed_2lsa 1
18 1 2 . . . . . . . . " A" 3 . HN parsed_2lsa 1
19 2 1 . . . . . . . . " A" 1 . HA2 parsed_2lsa 1
19 2 2 . . . . . . . . " A" 1 . HT3 parsed_2lsa 1
19 3 1 . . . . . . . . " A" 1 . HA2 parsed_2lsa 1
19 3 2 . . . . . . . . " A" 1 . HT2 parsed_2lsa 1
19 4 1 . . . . . . . . " A" 1 . HA2 parsed_2lsa 1
19 4 2 . . . . . . . . " A" 1 . HT1 parsed_2lsa 1
20 1 1 . . . . . . . . " A" 21 . HA parsed_2lsa 1
20 1 2 . . . . . . . . " A" 21 . HN parsed_2lsa 1
21 1 1 . . . . . . . . " A" 22 . HA parsed_2lsa 1
21 1 2 . . . . . . . . " A" 22 . HN parsed_2lsa 1
22 1 1 . . . . . . . . " A" 23 . HB2 parsed_2lsa 1
22 1 2 . . . . . . . . " A" 23 . HN parsed_2lsa 1
23 1 1 . . . . . . . . " A" 23 . HA parsed_2lsa 1
23 1 2 . . . . . . . . " A" 23 . HN parsed_2lsa 1
24 1 1 . . . . . . . . " A" 8 . HA parsed_2lsa 1
24 1 2 . . . . . . . . " A" 8 . HN parsed_2lsa 1
25 1 1 . . . . . . . . " A" 5 . HA parsed_2lsa 1
25 1 2 . . . . . . . . " A" 6 . HN parsed_2lsa 1
26 1 1 . . . . . . . . " A" 5 . HA parsed_2lsa 1
26 1 2 . . . . . . . . " A" 8 . HN parsed_2lsa 1
27 1 1 . . . . . . . . " A" 7 . HA parsed_2lsa 1
27 1 2 . . . . . . . . " A" 8 . HN parsed_2lsa 1
28 1 1 . . . . . . . . " A" 7 . HA parsed_2lsa 1
28 1 2 . . . . . . . . " A" 10 . HN parsed_2lsa 1
29 1 1 . . . . . . . . " A" 8 . HA parsed_2lsa 1
29 1 2 . . . . . . . . " A" 9 . HN parsed_2lsa 1
30 1 1 . . . . . . . . " A" 16 . HA parsed_2lsa 1
30 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
31 1 1 . . . . . . . . " A" 12 . HA parsed_2lsa 1
31 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
32 1 1 . . . . . . . . " A" 10 . HA parsed_2lsa 1
32 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
33 1 1 . . . . . . . . " A" 10 . HA parsed_2lsa 1
33 1 2 . . . . . . . . " A" 14 . HN parsed_2lsa 1
34 1 1 . . . . . . . . " A" 13 . HA2 parsed_2lsa 1
34 1 2 . . . . . . . . " A" 14 . HN parsed_2lsa 1
35 1 1 . . . . . . . . " A" 13 . HA2 parsed_2lsa 1
35 1 2 . . . . . . . . " A" 16 . HN parsed_2lsa 1
36 1 1 . . . . . . . . " A" 20 . HA parsed_2lsa 1
36 1 2 . . . . . . . . " A" 21 . HN parsed_2lsa 1
37 1 1 . . . . . . . . " A" 11 . HA parsed_2lsa 1
37 1 2 . . . . . . . . " A" 12 . HN parsed_2lsa 1
38 1 1 . . . . . . . . " A" 14 . HA parsed_2lsa 1
38 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
39 1 1 . . . . . . . . " A" 9 . HA parsed_2lsa 1
39 1 2 . . . . . . . . " A" 12 . HN parsed_2lsa 1
40 1 1 . . . . . . . . " A" 15 . HA parsed_2lsa 1
40 1 2 . . . . . . . . " A" 16 . HN parsed_2lsa 1
41 1 1 . . . . . . . . " A" 15 . HA parsed_2lsa 1
41 1 2 . . . . . . . . " A" 18 . HN parsed_2lsa 1
42 1 1 . . . . . . . . " A" 12 . HA parsed_2lsa 1
42 1 2 . . . . . . . . " A" 15 . HN parsed_2lsa 1
43 1 1 . . . . . . . . " A" 21 . HA parsed_2lsa 1
43 1 2 . . . . . . . . " A" 22 . HN parsed_2lsa 1
44 1 1 . . . . . . . . " A" 16 . HA parsed_2lsa 1
44 1 2 . . . . . . . . " A" 19 . HN parsed_2lsa 1
45 1 1 . . . . . . . . " A" 8 . HA parsed_2lsa 1
45 1 2 . . . . . . . . " A" 11 . HN parsed_2lsa 1
46 1 1 . . . . . . . . " A" 19 . HA parsed_2lsa 1
46 1 2 . . . . . . . . " A" 20 . HN parsed_2lsa 1
47 1 1 . . . . . . . . " A" 19 . HA parsed_2lsa 1
47 1 2 . . . . . . . . " A" 22 . HN parsed_2lsa 1
48 1 1 . . . . . . . . " A" 4 . HA parsed_2lsa 1
48 1 2 . . . . . . . . " A" 5 . HN parsed_2lsa 1
49 1 1 . . . . . . . . " A" 9 . HA parsed_2lsa 1
49 1 2 . . . . . . . . " A" 10 . HN parsed_2lsa 1
50 1 1 . . . . . . . . " A" 6 . HA parsed_2lsa 1
50 1 2 . . . . . . . . " A" 10 . HN parsed_2lsa 1
51 1 1 . . . . . . . . " A" 14 . HA parsed_2lsa 1
51 1 2 . . . . . . . . " A" 18 . HN parsed_2lsa 1
52 1 1 . . . . . . . . " A" 3 . HA2 parsed_2lsa 1
52 1 2 . . . . . . . . " A" 4 . HN parsed_2lsa 1
53 1 1 . . . . . . . . " A" 14 . HA parsed_2lsa 1
53 1 2 . . . . . . . . " A" 15 . HN parsed_2lsa 1
54 1 1 . . . . . . . . " A" 10 . HA parsed_2lsa 1
54 1 2 . . . . . . . . " A" 11 . HN parsed_2lsa 1
55 1 1 . . . . . . . . " A" 18 . HA2 parsed_2lsa 1
55 1 2 . . . . . . . . " A" 19 . HN parsed_2lsa 1
56 1 1 . . . . . . . . " A" 1 . HA2 parsed_2lsa 1
56 1 2 . . . . . . . . " A" 4 . HN parsed_2lsa 1
57 1 1 . . . . . . . . " A" 17 . HA parsed_2lsa 1
57 1 2 . . . . . . . . " A" 18 . HN parsed_2lsa 1
58 1 1 . . . . . . . . " A" 17 . HA parsed_2lsa 1
58 1 2 . . . . . . . . " A" 20 . HN parsed_2lsa 1
59 1 1 . . . . . . . . " A" 14 . HN parsed_2lsa 1
59 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
60 1 1 . . . . . . . . " A" 12 . HN parsed_2lsa 1
60 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
61 1 1 . . . . . . . . " A" 10 . HN parsed_2lsa 1
61 1 2 . . . . . . . . " A" 9 . HN parsed_2lsa 1
62 1 1 . . . . . . . . " A" 8 . HN parsed_2lsa 1
62 1 2 . . . . . . . . " A" 9 . HN parsed_2lsa 1
63 1 1 . . . . . . . . " A" 18 . HN parsed_2lsa 1
63 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
64 1 1 . . . . . . . . " A" 5 . HN parsed_2lsa 1
64 1 2 . . . . . . . . " A" 6 . HN parsed_2lsa 1
65 1 1 . . . . . . . . " A" 22 . HN parsed_2lsa 1
65 1 2 . . . . . . . . " A" 21 . HN parsed_2lsa 1
66 1 1 . . . . . . . . " A" 4 . HN parsed_2lsa 1
66 1 2 . . . . . . . . " A" 3 . HN parsed_2lsa 1
67 1 1 . . . . . . . . " A" 15 . HN parsed_2lsa 1
67 1 2 . . . . . . . . " A" 14 . HN parsed_2lsa 1
68 1 1 . . . . . . . . " A" 11 . HN parsed_2lsa 1
68 1 2 . . . . . . . . " A" 12 . HN parsed_2lsa 1
69 1 1 . . . . . . . . " A" 20 . HN parsed_2lsa 1
69 1 2 . . . . . . . . " A" 21 . HN parsed_2lsa 1
70 1 1 . . . . . . . . " A" 19 . HN parsed_2lsa 1
70 1 2 . . . . . . . . " A" 18 . HN parsed_2lsa 1
71 1 1 . . . . . . . . " A" 11 . HN parsed_2lsa 1
71 1 2 . . . . . . . . " A" 10 . HN parsed_2lsa 1
72 1 1 . . . . . . . . " A" 6 . HN parsed_2lsa 1
72 1 2 . . . . . . . . " A" 7 . HN parsed_2lsa 1
73 1 1 . . . . . . . . " A" 15 . HN parsed_2lsa 1
73 1 2 . . . . . . . . " A" 16 . HN parsed_2lsa 1
74 1 1 . . . . . . . . " A" 15 . HN parsed_2lsa 1
74 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
75 1 1 . . . . . . . . " A" 11 . HN parsed_2lsa 1
75 1 2 . . . . . . . . " A" 13 . HN parsed_2lsa 1
76 1 1 . . . . . . . . " A" 11 . HN parsed_2lsa 1
76 1 2 . . . . . . . . " A" 9 . HN parsed_2lsa 1
77 1 1 . . . . . . . . " A" 15 . HN parsed_2lsa 1
77 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
78 1 1 . . . . . . . . " A" 19 . HN parsed_2lsa 1
78 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
79 1 1 . . . . . . . . " A" 17 . HN parsed_2lsa 1
79 1 2 . . . . . . . . " A" 14 . HN parsed_2lsa 1
80 1 1 . . . . . . . . " A" 12 . HN parsed_2lsa 1
80 1 2 . . . . . . . . " A" 14 . HN parsed_2lsa 1
81 1 1 . . . . . . . . " A" 17 . HA parsed_2lsa 1
81 1 2 . . . . . . . . " A" 19 . HN parsed_2lsa 1
82 1 1 . . . . . . . . " A" 20 . HA parsed_2lsa 1
82 1 2 . . . . . . . . " A" 23 . HN parsed_2lsa 1
83 1 1 . . . . . . . . " A" 14 . HA parsed_2lsa 1
83 1 2 . . . . . . . . " A" 16 . HN parsed_2lsa 1
84 1 1 . . . . . . . . " A" 17 . HA parsed_2lsa 1
84 1 2 . . . . . . . . " A" 21 . HN parsed_2lsa 1
85 1 1 . . . . . . . . " A" 4 . HA parsed_2lsa 1
85 1 2 . . . . . . . . " A" 7 . HN parsed_2lsa 1
86 1 1 . . . . . . . . " A" 22 . HA parsed_2lsa 1
86 1 2 . . . . . . . . " A" 23 . HN parsed_2lsa 1
87 1 1 . . . . . . . . " A" 8 . HA parsed_2lsa 1
87 1 2 . . . . . . . . " A" 12 . HN parsed_2lsa 1
88 1 1 . . . . . . . . " A" 8 . HA parsed_2lsa 1
88 1 2 . . . . . . . . " A" 10 . HN parsed_2lsa 1
89 1 1 . . . . . . . . " A" 16 . HA parsed_2lsa 1
89 1 2 . . . . . . . . " A" 20 . HN parsed_2lsa 1
90 1 1 . . . . . . . . " A" 15 . HA parsed_2lsa 1
90 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 1
91 1 1 . . . . . . . . " A" 2 . HA parsed_2lsa 1
91 1 2 . . . . . . . . " A" 2 . HN parsed_2lsa 1
92 1 1 . . . . . . . . " A" 2 . HA parsed_2lsa 1
92 1 2 . . . . . . . . " A" 5 . HN parsed_2lsa 1
93 1 1 . . . . . . . . " A" 2 . HA parsed_2lsa 1
93 1 2 . . . . . . . . " A" 4 . HN parsed_2lsa 1
94 1 1 . . . . . . . . " A" 18 . HN parsed_2lsa 1
94 1 2 . . . . . . . . " A" 16 . HN parsed_2lsa 1
95 1 1 . . . . . . . . " A" 5 . HN parsed_2lsa 1
95 1 2 . . . . . . . . " A" 2 . HN parsed_2lsa 1
96 1 1 . . . . . . . . " A" 20 . HN parsed_2lsa 1
96 1 2 . . . . . . . . " A" 22 . HN parsed_2lsa 1
97 1 1 . . . . . . . . " A" 8 . HN parsed_2lsa 1
97 1 2 . . . . . . . . " A" 7 . HN parsed_2lsa 1
98 1 1 . . . . . . . . " A" 19 . HN parsed_2lsa 1
98 1 2 . . . . . . . . " A" 21 . HN parsed_2lsa 1
99 1 1 . . . . . . . . " A" 20 . HN parsed_2lsa 1
99 1 2 . . . . . . . . " A" 18 . HN parsed_2lsa 1
100 1 1 . . . . . . . . " A" 8 . HB2 parsed_2lsa 1
100 1 2 . . . . . . . . " A" 11 . HN parsed_2lsa 1
101 1 1 . . . . . . . . " A" 13 . HA2 parsed_2lsa 1
101 1 2 . . . . . . . . " A" 12 . HN parsed_2lsa 1
102 1 1 . . . . . . . . " A" 4 . HA parsed_2lsa 1
102 1 2 . . . . . . . . " A" 6 . HN parsed_2lsa 1
103 1 1 . . . . . . . . " A" 4 . HN parsed_2lsa 1
103 1 2 . . . . . . . . " A" 6 . HN parsed_2lsa 1
104 1 1 . . . . . . . . " A" 18 . HA2 parsed_2lsa 1
104 1 2 . . . . . . . . " A" 17 . HN parsed_2lsa 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 . . . . . 2.490 1.715 3.265 parsed_2lsa 1
2 1 . . . . . 2.540 1.734 3.346 parsed_2lsa 1
3 1 . . . . . 2.662 1.776 3.548 parsed_2lsa 1
4 1 . . . . . 2.675 1.781 3.569 parsed_2lsa 1
5 1 . . . . . 2.856 1.836 3.876 parsed_2lsa 1
6 1 . . . . . 2.653 1.773 3.533 parsed_2lsa 1
7 1 . . . . . 2.378 1.671 3.085 parsed_2lsa 1
8 1 . . . . . 2.170 1.581 2.759 parsed_2lsa 1
9 1 . . . . . 2.641 1.769 3.513 parsed_2lsa 1
10 1 . . . . . 2.701 1.789 3.613 parsed_2lsa 1
11 1 . . . . . 2.257 1.620 2.894 parsed_2lsa 1
12 1 . . . . . 2.605 1.757 3.453 parsed_2lsa 1
13 1 . . . . . 2.845 1.833 3.857 parsed_2lsa 1
14 1 . . . . . 2.763 1.809 3.717 parsed_2lsa 1
15 1 . . . . . 2.601 1.755 3.447 parsed_2lsa 1
16 1 . . . . . 2.699 1.788 3.610 parsed_2lsa 1
17 1 . . . . . 2.878 1.843 3.913 parsed_2lsa 1
18 1 . . . . . 2.521 1.726 3.316 parsed_2lsa 1
19 2 . . . . . 2.710 1.792 3.628 parsed_2lsa 1
19 3 . . . . . 2.710 1.792 3.628 parsed_2lsa 1
19 4 . . . . . 2.710 1.792 3.628 parsed_2lsa 1
20 1 . . . . . 2.686 1.784 3.588 parsed_2lsa 1
21 1 . . . . . 2.518 1.725 3.311 parsed_2lsa 1
22 1 . . . . . 3.228 1.926 4.530 parsed_2lsa 1
23 1 . . . . . 3.095 1.898 4.292 parsed_2lsa 1
24 1 . . . . . 2.726 1.797 3.655 parsed_2lsa 1
25 1 . . . . . 3.254 1.931 4.577 parsed_2lsa 1
26 1 . . . . . 3.216 1.923 4.509 parsed_2lsa 1
27 1 . . . . . 3.266 1.932 4.600 parsed_2lsa 1
28 1 . . . . . 3.226 1.925 4.527 parsed_2lsa 1
29 1 . . . . . 3.043 1.886 4.200 parsed_2lsa 1
30 1 . . . . . 2.963 1.865 4.061 parsed_2lsa 1
31 1 . . . . . 2.968 1.867 4.069 parsed_2lsa 1
32 1 . . . . . 3.124 1.904 4.344 parsed_2lsa 1
33 1 . . . . . 2.463 1.705 3.221 parsed_2lsa 1
34 1 . . . . . 2.569 1.744 3.394 parsed_2lsa 1
35 1 . . . . . 3.108 1.901 4.315 parsed_2lsa 1
36 1 . . . . . 2.924 1.855 3.993 parsed_2lsa 1
37 1 . . . . . 2.760 1.808 3.712 parsed_2lsa 1
38 1 . . . . . 3.349 1.947 4.751 parsed_2lsa 1
39 1 . . . . . 3.189 1.918 4.460 parsed_2lsa 1
40 1 . . . . . 3.150 1.910 4.390 parsed_2lsa 1
41 1 . . . . . 3.293 1.938 4.648 parsed_2lsa 1
42 1 . . . . . 3.565 1.976 5.154 parsed_2lsa 1
43 1 . . . . . 2.906 1.850 3.962 parsed_2lsa 1
44 1 . . . . . 3.170 1.914 4.426 parsed_2lsa 1
45 1 . . . . . 3.122 1.903 4.341 parsed_2lsa 1
46 1 . . . . . 2.983 1.871 4.095 parsed_2lsa 1
47 1 . . . . . 3.159 1.912 4.406 parsed_2lsa 1
48 1 . . . . . 3.233 1.927 4.539 parsed_2lsa 1
49 1 . . . . . 2.971 1.868 4.074 parsed_2lsa 1
50 1 . . . . . 2.916 1.853 3.979 parsed_2lsa 1
51 1 . . . . . 3.961 2.000 5.922 parsed_2lsa 1
52 1 . . . . . 3.011 1.877 4.145 parsed_2lsa 1
53 1 . . . . . 3.028 1.882 4.174 parsed_2lsa 1
54 1 . . . . . 2.991 1.873 4.109 parsed_2lsa 1
55 1 . . . . . 2.718 1.794 3.642 parsed_2lsa 1
56 1 . . . . . 3.427 1.959 4.895 parsed_2lsa 1
57 1 . . . . . 3.059 1.890 4.228 parsed_2lsa 1
58 1 . . . . . 3.098 1.899 4.297 parsed_2lsa 1
59 1 . . . . . 2.719 1.795 3.643 parsed_2lsa 1
60 1 . . . . . 2.617 1.761 3.473 parsed_2lsa 1
61 1 . . . . . 2.734 1.799 3.669 parsed_2lsa 1
62 1 . . . . . 2.681 1.782 3.580 parsed_2lsa 1
63 1 . . . . . 2.670 1.779 3.561 parsed_2lsa 1
64 1 . . . . . 2.720 1.795 3.645 parsed_2lsa 1
65 1 . . . . . 2.825 1.827 3.823 parsed_2lsa 1
66 1 . . . . . 2.948 1.862 4.034 parsed_2lsa 1
67 1 . . . . . 2.676 1.781 3.571 parsed_2lsa 1
68 1 . . . . . 2.766 1.810 3.722 parsed_2lsa 1
69 1 . . . . . 2.670 1.779 3.561 parsed_2lsa 1
70 1 . . . . . 2.641 1.769 3.513 parsed_2lsa 1
71 1 . . . . . 2.649 1.772 3.526 parsed_2lsa 1
72 1 . . . . . 2.436 1.694 3.178 parsed_2lsa 1
73 1 . . . . . 2.734 1.799 3.669 parsed_2lsa 1
74 1 . . . . . 4.073 1.999 6.147 parsed_2lsa 1
75 1 . . . . . 2.601 1.755 3.447 parsed_2lsa 1
76 1 . . . . . 3.998 2.000 5.996 parsed_2lsa 1
77 1 . . . . . 3.151 1.910 4.392 parsed_2lsa 1
78 1 . . . . . 3.319 1.942 4.696 parsed_2lsa 1
79 1 . . . . . 3.342 1.946 4.738 parsed_2lsa 1
80 1 . . . . . 2.669 1.778 3.560 parsed_2lsa 1
81 1 . . . . . 2.629 1.765 3.493 parsed_2lsa 1
82 1 . . . . . 3.533 1.973 5.093 parsed_2lsa 1
83 1 . . . . . 3.344 1.946 4.742 parsed_2lsa 1
84 1 . . . . . 3.631 1.983 5.279 parsed_2lsa 1
85 1 . . . . . 3.705 1.989 5.421 parsed_2lsa 1
86 1 . . . . . 2.989 1.872 4.106 parsed_2lsa 1
87 1 . . . . . 3.183 1.917 4.449 parsed_2lsa 1
88 1 . . . . . 2.495 1.717 3.273 parsed_2lsa 1
89 1 . . . . . 3.445 1.961 4.929 parsed_2lsa 1
90 1 . . . . . 4.329 1.986 6.672 parsed_2lsa 1
91 1 . . . . . 2.888 1.846 3.930 parsed_2lsa 1
92 1 . . . . . 3.864 1.998 5.730 parsed_2lsa 1
93 1 . . . . . 3.608 1.981 5.235 parsed_2lsa 1
94 1 . . . . . 2.979 1.869 4.089 parsed_2lsa 1
95 1 . . . . . 2.976 1.869 4.083 parsed_2lsa 1
96 1 . . . . . 3.597 1.980 5.214 parsed_2lsa 1
97 1 . . . . . 3.307 1.940 4.674 parsed_2lsa 1
98 1 . . . . . 3.107 1.901 4.313 parsed_2lsa 1
99 1 . . . . . 3.241 1.928 4.554 parsed_2lsa 1
100 1 . . . . . 3.079 1.894 4.264 parsed_2lsa 1
101 1 . . . . . 3.224 1.925 4.523 parsed_2lsa 1
102 1 . . . . . 2.418 1.687 3.149 parsed_2lsa 1
103 1 . . . . . 2.645 1.771 3.519 parsed_2lsa 1
104 1 . . . . . 3.309 1.941 4.677 parsed_2lsa 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 "spec=NOESY, no=1, id=0, vol=1.510000e+07" 1 127 1 169 parsed_2lsa 1
2 "spec=NOESY, no=2, id=1, vol=1.340000e+07" 2 127 2 169 parsed_2lsa 1
3 "spec=NOESY, no=3, id=2, vol=1.010000e+07" 3 127 3 169 parsed_2lsa 1
4 "spec=NOESY, no=4, id=3, vol=9.820000e+06" 4 127 4 169 parsed_2lsa 1
5 "spec=NOESY, no=5, id=4, vol=6.620000e+06" 5 127 5 169 parsed_2lsa 1
6 "spec=NOESY, no=6, id=5, vol=1.030000e+07" 6 127 6 169 parsed_2lsa 1
7 "spec=NOESY, no=7, id=6, vol=1.990000e+07" 7 127 7 169 parsed_2lsa 1
8 "spec=NOESY, no=8, id=7, vol=3.440000e+07" 8 127 8 169 parsed_2lsa 1
9 "spec=NOESY, no=9, id=8, vol=1.060000e+07" 9 127 9 169 parsed_2lsa 1
10 "spec=NOESY, no=10, id=9, vol=9.260000e+06" 10 127 10 170 parsed_2lsa 1
11 "spec=NOESY, no=11, id=10, vol=2.720000e+07" 11 127 11 171 parsed_2lsa 1
12 "spec=NOESY, no=13, id=12, vol=1.150000e+07" 12 127 12 171 parsed_2lsa 1
13 "spec=NOESY, no=14, id=13, vol=6.780000e+06" 13 127 13 171 parsed_2lsa 1
14 "spec=NOESY, no=15, id=14, vol=8.080000e+06" 14 127 14 171 parsed_2lsa 1
15 "spec=NOESY, no=16, id=15, vol=1.160000e+07" 15 127 15 171 parsed_2lsa 1
16 "spec=NOESY, no=17, id=16, vol=9.300000e+06" 16 127 16 171 parsed_2lsa 1
17 "spec=NOESY, no=18, id=17, vol=6.330000e+06" 17 127 17 171 parsed_2lsa 1
18 "spec=NOESY, no=22, id=21, vol=9.070000e+06" 19 127 19 171 parsed_2lsa 1
19 "spec=NOESY, no=20, id=19, vol=1.400000e+07" 18 127 18 171 parsed_2lsa 1
20 "spec=NOESY, no=23, id=22, vol=9.570000e+06" 22 127 22 171 parsed_2lsa 1
21 "spec=NOESY, no=24, id=23, vol=1.410000e+07" 23 127 23 171 parsed_2lsa 1
22 "spec=NOESY, no=25, id=24, vol=3.180000e+06" 24 127 24 171 parsed_2lsa 1
23 "spec=NOESY, no=27, id=26, vol=4.090000e+06" 25 127 25 171 parsed_2lsa 1
24 "spec=NOESY, no=28, id=27, vol=8.770000e+06" 26 127 26 171 parsed_2lsa 1
25 "spec=NOESY, no=30, id=29, vol=3.030000e+06" 27 127 27 171 parsed_2lsa 1
26 "spec=NOESY, no=31, id=30, vol=3.250000e+06" 28 127 28 171 parsed_2lsa 1
27 "spec=NOESY, no=32, id=31, vol=2.960000e+06" 29 127 29 171 parsed_2lsa 1
28 "spec=NOESY, no=33, id=32, vol=3.190000e+06" 30 127 30 171 parsed_2lsa 1
29 "spec=NOESY, no=34, id=33, vol=4.530000e+06" 31 127 31 171 parsed_2lsa 1
30 "spec=NOESY, no=35, id=34, vol=5.310000e+06" 32 127 32 171 parsed_2lsa 1
31 "spec=NOESY, no=36, id=35, vol=5.260000e+06" 33 127 33 171 parsed_2lsa 1
32 "spec=NOESY, no=37, id=36, vol=3.870000e+06" 34 127 34 171 parsed_2lsa 1
33 "spec=NOESY, no=38, id=37, vol=1.610000e+07" 35 127 35 171 parsed_2lsa 1
34 "spec=NOESY, no=39, id=38, vol=1.250000e+07" 36 127 36 171 parsed_2lsa 1
35 "spec=NOESY, no=40, id=39, vol=3.990000e+06" 37 127 37 171 parsed_2lsa 1
36 "spec=NOESY, no=41, id=40, vol=5.750000e+06" 38 127 38 171 parsed_2lsa 1
37 "spec=NOESY, no=42, id=41, vol=8.140000e+06" 39 127 39 171 parsed_2lsa 1
38 "spec=NOESY, no=43, id=42, vol=2.550000e+06" 40 127 40 171 parsed_2lsa 1
39 "spec=NOESY, no=44, id=43, vol=3.420000e+06" 41 127 41 171 parsed_2lsa 1
40 "spec=NOESY, no=45, id=44, vol=3.680000e+06" 42 127 42 171 parsed_2lsa 1
41 "spec=NOESY, no=46, id=45, vol=2.820000e+06" 43 127 43 171 parsed_2lsa 1
42 "spec=NOESY, no=47, id=46, vol=1.750000e+06" 44 127 44 171 parsed_2lsa 1
43 "spec=NOESY, no=48, id=47, vol=5.970000e+06" 45 127 45 171 parsed_2lsa 1
44 "spec=NOESY, no=49, id=48, vol=3.540000e+06" 46 127 46 171 parsed_2lsa 1
45 "spec=NOESY, no=50, id=49, vol=3.880000e+06" 47 127 47 171 parsed_2lsa 1
46 "spec=NOESY, no=51, id=50, vol=5.100000e+06" 48 127 48 171 parsed_2lsa 1
47 "spec=NOESY, no=52, id=51, vol=3.620000e+06" 49 127 49 171 parsed_2lsa 1
48 "spec=NOESY, no=53, id=52, vol=3.150000e+06" 50 127 50 171 parsed_2lsa 1
49 "spec=NOESY, no=54, id=53, vol=5.230000e+06" 51 127 51 171 parsed_2lsa 1
50 "spec=NOESY, no=55, id=54, vol=5.850000e+06" 52 127 52 171 parsed_2lsa 1
51 "spec=NOESY, no=56, id=55, vol=9.310000e+05" 53 127 53 171 parsed_2lsa 1
52 "spec=NOESY, no=57, id=56, vol=4.820000e+06" 54 127 54 171 parsed_2lsa 1
53 "spec=NOESY, no=59, id=58, vol=4.660000e+06" 55 127 55 171 parsed_2lsa 1
54 "spec=NOESY, no=61, id=60, vol=5.020000e+06" 56 127 56 171 parsed_2lsa 1
55 "spec=NOESY, no=62, id=61, vol=8.910000e+06" 57 127 57 171 parsed_2lsa 1
56 "spec=NOESY, no=63, id=62, vol=2.220000e+06" 58 127 58 171 parsed_2lsa 1
57 "spec=NOESY, no=65, id=64, vol=4.390000e+06" 59 127 59 171 parsed_2lsa 1
58 "spec=NOESY, no=66, id=65, vol=4.070000e+06" 60 127 60 171 parsed_2lsa 1
59 "spec=NOESY, no=67, id=66, vol=8.890000e+06" 61 127 61 171 parsed_2lsa 1
60 "spec=NOESY, no=68, id=67, vol=1.120000e+07" 62 127 62 171 parsed_2lsa 1
61 "spec=NOESY, no=69, id=68, vol=8.600000e+06" 63 127 63 171 parsed_2lsa 1
62 "spec=NOESY, no=70, id=69, vol=9.680000e+06" 64 127 64 171 parsed_2lsa 1
63 "spec=NOESY, no=71, id=70, vol=9.930000e+06" 65 127 65 171 parsed_2lsa 1
64 "spec=NOESY, no=72, id=71, vol=8.870000e+06" 66 127 66 171 parsed_2lsa 1
65 "spec=NOESY, no=73, id=72, vol=7.070000e+06" 67 127 67 171 parsed_2lsa 1
66 "spec=NOESY, no=74, id=73, vol=5.480000e+06" 68 127 68 171 parsed_2lsa 1
67 "spec=NOESY, no=75, id=74, vol=9.790000e+06" 69 127 69 171 parsed_2lsa 1
68 "spec=NOESY, no=76, id=75, vol=8.030000e+06" 70 127 70 171 parsed_2lsa 1
69 "spec=NOESY, no=77, id=76, vol=9.920000e+06" 71 127 71 171 parsed_2lsa 1
70 "spec=NOESY, no=78, id=77, vol=1.060000e+07" 72 127 72 171 parsed_2lsa 1
71 "spec=NOESY, no=79, id=78, vol=1.040000e+07" 73 127 73 171 parsed_2lsa 1
72 "spec=NOESY, no=80, id=79, vol=1.720000e+07" 74 127 74 171 parsed_2lsa 1
73 "spec=NOESY, no=81, id=80, vol=8.600000e+06" 75 127 75 171 parsed_2lsa 1
74 "spec=NOESY, no=82, id=81, vol=7.870000e+05" 76 127 76 171 parsed_2lsa 1
75 "spec=NOESY, no=83, id=82, vol=1.160000e+07" 77 127 77 171 parsed_2lsa 1
76 "spec=NOESY, no=84, id=83, vol=8.800000e+05" 78 127 78 171 parsed_2lsa 1
77 "spec=NOESY, no=85, id=84, vol=3.670000e+06" 79 127 79 171 parsed_2lsa 1
78 "spec=NOESY, no=86, id=85, vol=2.690000e+06" 80 127 80 171 parsed_2lsa 1
79 "spec=NOESY, no=87, id=86, vol=2.580000e+06" 81 127 81 171 parsed_2lsa 1
80 "spec=NOESY, no=88, id=87, vol=9.940000e+06" 82 127 82 171 parsed_2lsa 1
81 "spec=NOESY, no=89, id=88, vol=1.090000e+07" 83 127 83 171 parsed_2lsa 1
82 "spec=NOESY, no=90, id=89, vol=1.850000e+06" 84 127 84 171 parsed_2lsa 1
83 "spec=NOESY, no=91, id=90, vol=2.570000e+06" 85 127 85 171 parsed_2lsa 1
84 "spec=NOESY, no=92, id=91, vol=1.570000e+06" 86 127 86 171 parsed_2lsa 1
85 "spec=NOESY, no=93, id=92, vol=1.390000e+06" 87 127 87 171 parsed_2lsa 1
86 "spec=NOESY, no=94, id=93, vol=5.040000e+06" 88 127 88 171 parsed_2lsa 1
87 "spec=NOESY, no=95, id=94, vol=3.460000e+06" 89 127 89 171 parsed_2lsa 1
88 "spec=NOESY, no=96, id=95, vol=1.490000e+07" 90 127 90 171 parsed_2lsa 1
89 "spec=NOESY, no=97, id=96, vol=2.150000e+06" 91 127 91 171 parsed_2lsa 1
90 "spec=NOESY, no=98, id=97, vol=5.460000e+05" 92 127 92 171 parsed_2lsa 1
91 "spec=NOESY, no=99, id=98, vol=6.200000e+06" 93 127 93 171 parsed_2lsa 1
92 "spec=NOESY, no=100, id=99, vol=1.080000e+06" 94 127 94 172 parsed_2lsa 1
93 "spec=NOESY, no=101, id=100, vol=1.630000e+06" 95 127 95 173 parsed_2lsa 1
94 "spec=NOESY, no=102, id=101, vol=5.140000e+06" 96 127 96 173 parsed_2lsa 1
95 "spec=NOESY, no=103, id=102, vol=5.170000e+06" 97 127 97 173 parsed_2lsa 1
96 "spec=NOESY, no=104, id=103, vol=1.660000e+06" 98 127 98 173 parsed_2lsa 1
97 "spec=NOESY, no=105, id=104, vol=2.750000e+06" 99 127 99 173 parsed_2lsa 1
98 "spec=NOESY, no=106, id=105, vol=4.000000e+06" 100 127 100 173 parsed_2lsa 1
99 "spec=NOESY, no=107, id=106, vol=3.100000e+06" 101 127 101 173 parsed_2lsa 1
100 "spec=NOESY, no=108, id=107, vol=4.220000e+06" 102 127 102 173 parsed_2lsa 1
101 "spec=NOESY, no=109, id=108, vol=3.200000e+06" 103 127 103 173 parsed_2lsa 1
102 "spec=NOESY, no=110, id=109, vol=1.800000e+07" 104 127 104 173 parsed_2lsa 1
103 "spec=NOESY, no=111, id=110, vol=1.050000e+07" 105 127 105 173 parsed_2lsa 1
104 "spec=NOESY, no=112, id=111, vol=2.740000e+06" 106 127 106 173 parsed_2lsa 1
stop_
save_
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