Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
584225 | 2mjq RC | 11551 | cing | 2-parsed | STAR | entry | full | 154 |
data_2mjq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mjq
_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_2mjq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mjq
_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 2mjq "Master copy" parsed_2mjq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mjq
_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 2mjq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mjq 1
1 2mjq.mr . . XPLOR/CNS 2 distance NOE simple 127 parsed_2mjq 1
1 2mjq.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_2mjq 1
1 2mjq.mr . . XPLOR/CNS 4 distance "general distance" simple 15 parsed_2mjq 1
1 2mjq.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mjq 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_2mjq
_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 16-JAN-14 2MJQ
*TITLE STRUCTURE OF ANTIMICROBIAL PEPTIDE ANOPLIN IN DPC MICELLES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ANOPLIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: AS-183;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: ANOPLIUS SAMARIENSIS;
*SOURCE 4 ORGANISM_COMMON: SOLITARY WASP;
*SOURCE 5 ORGANISM_TAXID: 200614
*KEYWDS AMPHIPATHIC HELIX, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR L.UGGERHOEJ, T.J.POULSEN, R.WIMMER
*REVDAT 1 03-DEC-14 2MJQ 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mjq
_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_2mjq 1
2 1 . . . parsed_2mjq 1
3 1 . . . parsed_2mjq 1
4 1 . . . parsed_2mjq 1
5 1 . . . parsed_2mjq 1
6 1 . . . parsed_2mjq 1
7 1 . . . parsed_2mjq 1
8 1 . . . parsed_2mjq 1
9 1 . . . parsed_2mjq 1
10 1 . . . parsed_2mjq 1
11 1 . . . parsed_2mjq 1
12 1 . . . parsed_2mjq 1
13 1 . . . parsed_2mjq 1
14 1 . . . parsed_2mjq 1
15 1 . . . parsed_2mjq 1
16 1 . . . parsed_2mjq 1
17 1 . . . parsed_2mjq 1
18 1 . . . parsed_2mjq 1
19 1 . . . parsed_2mjq 1
20 1 . . . parsed_2mjq 1
21 1 . . . parsed_2mjq 1
22 1 . . . parsed_2mjq 1
23 1 . . . parsed_2mjq 1
24 1 . . . parsed_2mjq 1
25 1 . . . parsed_2mjq 1
26 1 . . . parsed_2mjq 1
27 1 . . . parsed_2mjq 1
28 1 . . . parsed_2mjq 1
29 1 . . . parsed_2mjq 1
30 1 . . . parsed_2mjq 1
31 1 . . . parsed_2mjq 1
32 1 . . . parsed_2mjq 1
33 1 . . . parsed_2mjq 1
34 1 . . . parsed_2mjq 1
35 1 . . . parsed_2mjq 1
36 1 . . . parsed_2mjq 1
37 1 . . . parsed_2mjq 1
38 1 . . . parsed_2mjq 1
39 1 . . . parsed_2mjq 1
40 1 . . . parsed_2mjq 1
41 1 . . . parsed_2mjq 1
42 1 . . . parsed_2mjq 1
43 1 . . . parsed_2mjq 1
44 1 . . . parsed_2mjq 1
45 1 . . . parsed_2mjq 1
46 1 . . . parsed_2mjq 1
47 1 . . . parsed_2mjq 1
48 1 . . . parsed_2mjq 1
49 1 . . . parsed_2mjq 1
50 1 . . . parsed_2mjq 1
51 1 . . . parsed_2mjq 1
52 1 . . . parsed_2mjq 1
53 1 . . . parsed_2mjq 1
54 1 . . . parsed_2mjq 1
55 1 . . . parsed_2mjq 1
56 1 . . . parsed_2mjq 1
57 1 . . . parsed_2mjq 1
58 1 . . . parsed_2mjq 1
59 1 . . . parsed_2mjq 1
60 1 . . . parsed_2mjq 1
61 1 . . . parsed_2mjq 1
62 1 . . . parsed_2mjq 1
63 1 . . . parsed_2mjq 1
64 1 . . . parsed_2mjq 1
65 1 . . . parsed_2mjq 1
66 1 . . . parsed_2mjq 1
67 1 . . . parsed_2mjq 1
68 1 . . . parsed_2mjq 1
69 1 . . . parsed_2mjq 1
70 1 . . . parsed_2mjq 1
71 1 . . . parsed_2mjq 1
72 1 . . . parsed_2mjq 1
73 1 . . . parsed_2mjq 1
74 1 . . . parsed_2mjq 1
75 1 . . . parsed_2mjq 1
76 1 . . . parsed_2mjq 1
77 1 . . . parsed_2mjq 1
78 1 . . . parsed_2mjq 1
79 1 . . . parsed_2mjq 1
80 1 . . . parsed_2mjq 1
81 1 . . . parsed_2mjq 1
82 1 . . . parsed_2mjq 1
83 1 . . . parsed_2mjq 1
84 1 . . . parsed_2mjq 1
85 1 . . . parsed_2mjq 1
86 1 . . . parsed_2mjq 1
87 1 . . . parsed_2mjq 1
88 1 . . . parsed_2mjq 1
89 1 . . . parsed_2mjq 1
90 1 . . . parsed_2mjq 1
91 1 . . . parsed_2mjq 1
92 1 . . . parsed_2mjq 1
93 1 . . . parsed_2mjq 1
94 1 . . . parsed_2mjq 1
95 1 . . . parsed_2mjq 1
96 1 . . . parsed_2mjq 1
97 1 . . . parsed_2mjq 1
98 1 . . . parsed_2mjq 1
99 1 . . . parsed_2mjq 1
100 1 . . . parsed_2mjq 1
101 1 . . . parsed_2mjq 1
102 1 . . . parsed_2mjq 1
103 1 . . . parsed_2mjq 1
104 1 . . . parsed_2mjq 1
105 1 . . . parsed_2mjq 1
106 1 . . . parsed_2mjq 1
107 1 . . . parsed_2mjq 1
108 1 . . . parsed_2mjq 1
109 1 . . . parsed_2mjq 1
110 1 . . . parsed_2mjq 1
111 1 . . . parsed_2mjq 1
112 1 . . . parsed_2mjq 1
113 1 . . . parsed_2mjq 1
114 1 . . . parsed_2mjq 1
115 1 . . . parsed_2mjq 1
116 1 . . . parsed_2mjq 1
117 1 . . . parsed_2mjq 1
118 1 . . . parsed_2mjq 1
119 1 . . . parsed_2mjq 1
120 1 . . . parsed_2mjq 1
121 1 . . . parsed_2mjq 1
122 1 . . . parsed_2mjq 1
123 1 . . . parsed_2mjq 1
124 1 . . . parsed_2mjq 1
125 1 . . . parsed_2mjq 1
126 1 . . . parsed_2mjq 1
127 1 . . . parsed_2mjq 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 . . . . . . . . . 7 . HA parsed_2mjq 1
1 1 2 . . . . . . . . . 10 . HB# parsed_2mjq 1
2 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
2 1 2 . . . . . . . . . 9 . HB# parsed_2mjq 1
3 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
3 1 2 . . . . . . . . . 9 . HB# parsed_2mjq 1
4 1 1 . . . . . . . . . 4 . HA parsed_2mjq 1
4 1 2 . . . . . . . . . 7 . HB# parsed_2mjq 1
5 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
5 1 2 . . . . . . . . . 6 . HB parsed_2mjq 1
6 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
6 1 2 . . . . . . . . . 5 . HB* parsed_2mjq 1
7 1 1 . . . . . . . . . 5 . HA parsed_2mjq 1
7 1 2 . . . . . . . . . 5 . HB* parsed_2mjq 1
8 1 1 . . . . . . . . . 5 . HN parsed_2mjq 1
8 1 2 . . . . . . . . . 5 . HB* parsed_2mjq 1
9 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
9 1 2 . . . . . . . . . 6 . HN parsed_2mjq 1
10 1 1 . . . . . . . . . 4 . HB* parsed_2mjq 1
10 1 2 . . . . . . . . . 5 . HN parsed_2mjq 1
11 1 1 . . . . . . . . . 7 . HB# parsed_2mjq 1
11 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
12 1 1 . . . . . . . . . 7 . HB# parsed_2mjq 1
12 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
13 1 1 . . . . . . . . . 3 . HB# parsed_2mjq 1
13 1 2 . . . . . . . . . 4 . HN parsed_2mjq 1
14 1 1 . . . . . . . . . 3 . HB# parsed_2mjq 1
14 1 2 . . . . . . . . . 4 . HN parsed_2mjq 1
15 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
15 1 2 . . . . . . . . . 10 . HN parsed_2mjq 1
16 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
16 1 2 . . . . . . . . . 10 . HN parsed_2mjq 1
17 1 1 . . . . . . . . . 8 . HA parsed_2mjq 1
17 1 2 . . . . . . . . . 10 . HN parsed_2mjq 1
18 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
18 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
19 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
19 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
20 1 1 . . . . . . . . . 8 . HB parsed_2mjq 1
20 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
21 1 1 . . . . . . . . . 8 . HA parsed_2mjq 1
21 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
22 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
22 1 2 . . . . . . . . . 5 . HN parsed_2mjq 1
23 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
23 1 2 . . . . . . . . . 5 . HN parsed_2mjq 1
24 1 1 . . . . . . . . . 4 . HA parsed_2mjq 1
24 1 2 . . . . . . . . . 5 . HN parsed_2mjq 1
25 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
25 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
26 1 1 . . . . . . . . . 4 . HA parsed_2mjq 1
26 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
27 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
27 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
28 1 1 . . . . . . . . . 5 . HA parsed_2mjq 1
28 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
29 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
29 1 2 . . . . . . . . . 4 . HN parsed_2mjq 1
30 1 1 . . . . . . . . . 1 . HA# parsed_2mjq 1
30 1 2 . . . . . . . . . 3 . HN parsed_2mjq 1
31 1 1 . . . . . . . . . 1 . HA# parsed_2mjq 1
31 1 2 . . . . . . . . . 3 . HN parsed_2mjq 1
32 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
32 1 2 . . . . . . . . . 3 . HN parsed_2mjq 1
33 1 1 . . . . . . . . . 9 . HN parsed_2mjq 1
33 1 2 . . . . . . . . . 10 . HN parsed_2mjq 1
34 1 1 . . . . . . . . . 8 . HN parsed_2mjq 1
34 1 2 . . . . . . . . . 10 . HN parsed_2mjq 1
35 1 1 . . . . . . . . . 8 . HN parsed_2mjq 1
35 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
36 1 1 . . . . . . . . . 4 . HN parsed_2mjq 1
36 1 2 . . . . . . . . . 5 . HN parsed_2mjq 1
37 1 1 . . . . . . . . . 7 . HN parsed_2mjq 1
37 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
38 1 1 . . . . . . . . . 7 . HN parsed_2mjq 1
38 1 2 . . . . . . . . . 8 . HN parsed_2mjq 1
39 1 1 . . . . . . . . . 4 . HN parsed_2mjq 1
39 1 2 . . . . . . . . . 6 . HN parsed_2mjq 1
40 1 1 . . . . . . . . . 5 . HN parsed_2mjq 1
40 1 2 . . . . . . . . . 6 . HN parsed_2mjq 1
41 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
41 1 2 . . . . . . . . . 5 . HN parsed_2mjq 1
42 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
42 1 2 . . . . . . . . . 4 . HN parsed_2mjq 1
43 1 1 . . . . . . . . . 5 . HA parsed_2mjq 1
43 1 2 . . . . . . . . . 6 . HN parsed_2mjq 1
44 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
44 1 2 . . . . . . . . . 6 . HN parsed_2mjq 1
45 1 1 . . . . . . . . . 4 . HA parsed_2mjq 1
45 1 2 . . . . . . . . . 7 . HN parsed_2mjq 1
46 1 1 . . . . . . . . . 1 . HA# parsed_2mjq 1
46 1 2 . . . . . . . . . 1 . HA# parsed_2mjq 1
47 1 1 . . . . . . . . . 7 . HN parsed_2mjq 1
47 1 2 . . . . . . . . . 7 . HB# parsed_2mjq 1
48 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
48 1 2 . . . . . . . . . 7 . HB# parsed_2mjq 1
49 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
49 1 2 . . . . . . . . . 3 . HB# parsed_2mjq 1
50 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
50 1 2 . . . . . . . . . 3 . HB# parsed_2mjq 1
51 1 1 . . . . . . . . . 9 . HN parsed_2mjq 1
51 1 2 . . . . . . . . . 9 . HB# parsed_2mjq 1
52 1 1 . . . . . . . . . 9 . HN parsed_2mjq 1
52 1 2 . . . . . . . . . 9 . HA parsed_2mjq 1
53 1 1 . . . . . . . . . 5 . HN parsed_2mjq 1
53 1 2 . . . . . . . . . 5 . HA parsed_2mjq 1
54 1 1 . . . . . . . . . 4 . HN parsed_2mjq 1
54 1 2 . . . . . . . . . 4 . HB* parsed_2mjq 1
55 1 1 . . . . . . . . . 4 . HA parsed_2mjq 1
55 1 2 . . . . . . . . . 4 . HB* parsed_2mjq 1
56 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
56 1 2 . . . . . . . . . 3 . HA parsed_2mjq 1
57 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
57 1 2 . . . . . . . . . 6 . HB parsed_2mjq 1
58 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
58 1 2 . . . . . . . . . 6 . HB parsed_2mjq 1
59 1 1 . . . . . . . . . 9 . HN parsed_2mjq 1
59 1 2 . . . . . . . . . 9 . HB# parsed_2mjq 1
60 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
60 1 2 . . . . . . . . . 10 . HA parsed_2mjq 1
61 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
61 1 2 . . . . . . . . . 2 . HB# parsed_2mjq 1
62 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
62 1 2 . . . . . . . . . 10 . HB# parsed_2mjq 1
63 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
63 1 2 . . . . . . . . . 7 . HB# parsed_2mjq 1
64 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
64 1 2 . . . . . . . . . 6 . HA parsed_2mjq 1
65 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
65 1 2 . . . . . . . . . 3 . HB# parsed_2mjq 1
66 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
66 1 2 . . . . . . . . . 3 . HB# parsed_2mjq 1
67 1 1 . . . . . . . . . 8 . HN parsed_2mjq 1
67 1 2 . . . . . . . . . 8 . HA parsed_2mjq 1
68 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
68 1 2 . . . . . . . . . 2 . HB# parsed_2mjq 1
69 1 1 . . . . . . . . . 7 . HN parsed_2mjq 1
69 1 2 . . . . . . . . . 7 . HA parsed_2mjq 1
70 1 1 . . . . . . . . . 8 . HN parsed_2mjq 1
70 1 2 . . . . . . . . . 8 . HB parsed_2mjq 1
71 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
71 1 2 . . . . . . . . . 10 . HB# parsed_2mjq 1
72 1 1 . . . . . . . . . 4 . HN parsed_2mjq 1
72 1 2 . . . . . . . . . 4 . HA parsed_2mjq 1
73 1 1 . . . . . . . . . 5 . HB* parsed_2mjq 1
73 1 2 . . . . . . . . . 5 . HD# parsed_2mjq 1
74 1 1 . . . . . . . . . 5 . HB* parsed_2mjq 1
74 1 2 . . . . . . . . . 5 . HD# parsed_2mjq 1
75 1 1 . . . . . . . . . 8 . HA parsed_2mjq 1
75 1 2 . . . . . . . . . 11 . H2 parsed_2mjq 1
76 1 1 . . . . . . . . . 10 . HA parsed_2mjq 1
76 1 2 . . . . . . . . . 11 . H2 parsed_2mjq 1
77 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
77 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
78 1 1 . . . . . . . . . 8 . HA parsed_2mjq 1
78 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
79 1 1 . . . . . . . . . 10 . HA parsed_2mjq 1
79 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
80 1 1 . . . . . . . . . 10 . HB# parsed_2mjq 1
80 1 2 . . . . . . . . . 11 . H2 parsed_2mjq 1
81 1 1 . . . . . . . . . 10 . HB# parsed_2mjq 1
81 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
82 1 1 . . . . . . . . . 10 . HB# parsed_2mjq 1
82 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
83 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
83 1 2 . . . . . . . . . 11 . H2 parsed_2mjq 1
84 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
84 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
85 1 1 . . . . . . . . . 11 . H2 parsed_2mjq 1
85 1 2 . . . . . . . . . 11 . H1 parsed_2mjq 1
86 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
86 1 2 . . . . . . . . . 6 . HG1# parsed_2mjq 1
87 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
87 1 2 . . . . . . . . . 6 . HG1# parsed_2mjq 1
88 1 1 . . . . . . . . . 6 . HG1# parsed_2mjq 1
88 1 2 . . . . . . . . . 6 . HG1# parsed_2mjq 1
89 1 1 . . . . . . . . . 6 . HB parsed_2mjq 1
89 1 2 . . . . . . . . . 6 . HG1# parsed_2mjq 1
90 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
90 1 2 . . . . . . . . . 6 . HG1# parsed_2mjq 1
91 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
91 1 2 . . . . . . . . . 6 . HG1# parsed_2mjq 1
92 1 1 . . . . . . . . . 5 . HN parsed_2mjq 1
92 1 2 . . . . . . . . . 5 . HG# parsed_2mjq 1
93 1 1 . . . . . . . . . 5 . HG# parsed_2mjq 1
93 1 2 . . . . . . . . . 5 . HD# parsed_2mjq 1
94 1 1 . . . . . . . . . 5 . HG# parsed_2mjq 1
94 1 2 . . . . . . . . . 5 . HD# parsed_2mjq 1
95 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
95 1 2 . . . . . . . . . 10 . HG parsed_2mjq 1
96 1 1 . . . . . . . . . 4 . HN parsed_2mjq 1
96 1 2 . . . . . . . . . 4 . HG* parsed_2mjq 1
97 1 1 . . . . . . . . . 4 . HG* parsed_2mjq 1
97 1 2 . . . . . . . . . 4 . HE* parsed_2mjq 1
98 1 1 . . . . . . . . . 7 . HB# parsed_2mjq 1
98 1 2 . . . . . . . . . 7 . HG# parsed_2mjq 1
99 1 1 . . . . . . . . . 7 . HN parsed_2mjq 1
99 1 2 . . . . . . . . . 7 . HG# parsed_2mjq 1
100 1 1 . . . . . . . . . 7 . HB# parsed_2mjq 1
100 1 2 . . . . . . . . . 7 . HG# parsed_2mjq 1
101 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
101 1 2 . . . . . . . . . 7 . HG# parsed_2mjq 1
102 1 1 . . . . . . . . . 5 . HN parsed_2mjq 1
102 1 2 . . . . . . . . . 5 . HG# parsed_2mjq 1
103 1 1 . . . . . . . . . 5 . HG# parsed_2mjq 1
103 1 2 . . . . . . . . . 5 . HD# parsed_2mjq 1
104 1 1 . . . . . . . . . 5 . HG# parsed_2mjq 1
104 1 2 . . . . . . . . . 5 . HD# parsed_2mjq 1
105 1 1 . . . . . . . . . 7 . HN parsed_2mjq 1
105 1 2 . . . . . . . . . 7 . HG# parsed_2mjq 1
106 1 1 . . . . . . . . . 7 . HA parsed_2mjq 1
106 1 2 . . . . . . . . . 7 . HG# parsed_2mjq 1
107 1 1 . . . . . . . . . 8 . HG* parsed_2mjq 1
107 1 2 . . . . . . . . . 9 . HN parsed_2mjq 1
108 1 1 . . . . . . . . . 2 . HA parsed_2mjq 1
108 1 2 . . . . . . . . . 2 . HD* parsed_2mjq 1
109 1 1 . . . . . . . . . 6 . HG* parsed_2mjq 1
109 1 2 . . . . . . . . . 6 . HB parsed_2mjq 1
110 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
110 1 2 . . . . . . . . . 6 . HG* parsed_2mjq 1
111 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
111 1 2 . . . . . . . . . 6 . HG* parsed_2mjq 1
112 1 1 . . . . . . . . . 10 . HA parsed_2mjq 1
112 1 2 . . . . . . . . . 10 . HD* parsed_2mjq 1
113 1 1 . . . . . . . . . 10 . HB# parsed_2mjq 1
113 1 2 . . . . . . . . . 10 . HD* parsed_2mjq 1
114 1 1 . . . . . . . . . 10 . HN parsed_2mjq 1
114 1 2 . . . . . . . . . 10 . HD* parsed_2mjq 1
115 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
115 1 2 . . . . . . . . . 3 . HD* parsed_2mjq 1
116 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
116 1 2 . . . . . . . . . 3 . HD* parsed_2mjq 1
117 1 1 . . . . . . . . . 3 . HA parsed_2mjq 1
117 1 2 . . . . . . . . . 3 . HD* parsed_2mjq 1
118 1 1 . . . . . . . . . 3 . HN parsed_2mjq 1
118 1 2 . . . . . . . . . 3 . HD* parsed_2mjq 1
119 1 1 . . . . . . . . . 9 . HB# parsed_2mjq 1
119 1 2 . . . . . . . . . 9 . HD* parsed_2mjq 1
120 1 1 . . . . . . . . . 9 . HA parsed_2mjq 1
120 1 2 . . . . . . . . . 9 . HD* parsed_2mjq 1
121 1 1 . . . . . . . . . 9 . HN parsed_2mjq 1
121 1 2 . . . . . . . . . 9 . HD* parsed_2mjq 1
122 1 1 . . . . . . . . . 8 . HN parsed_2mjq 1
122 1 2 . . . . . . . . . 8 . HG* parsed_2mjq 1
123 1 1 . . . . . . . . . 8 . HA parsed_2mjq 1
123 1 2 . . . . . . . . . 8 . HG* parsed_2mjq 1
124 1 1 . . . . . . . . . 6 . HB parsed_2mjq 1
124 1 2 . . . . . . . . . 6 . HD* parsed_2mjq 1
125 1 1 . . . . . . . . . 6 . HA parsed_2mjq 1
125 1 2 . . . . . . . . . 6 . HD* parsed_2mjq 1
126 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
126 1 2 . . . . . . . . . 6 . HD* parsed_2mjq 1
127 1 1 . . . . . . . . . 6 . HN parsed_2mjq 1
127 1 2 . . . . . . . . . 6 . HD* parsed_2mjq 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 . . . . . 4.14 1.00 4.14 parsed_2mjq 1
2 1 . . . . . 4.04 1.00 4.04 parsed_2mjq 1
3 1 . . . . . 3.33 1.00 3.33 parsed_2mjq 1
4 1 . . . . . 4.29 1.00 4.29 parsed_2mjq 1
5 1 . . . . . 3.86 1.00 3.86 parsed_2mjq 1
6 1 . . . . . 5.45 1.00 5.45 parsed_2mjq 1
7 1 . . . . . 5.02 1.00 5.02 parsed_2mjq 1
8 1 . . . . . 3.62 1.00 3.62 parsed_2mjq 1
9 1 . . . . . 4.94 1.00 4.94 parsed_2mjq 1
10 1 . . . . . 3.93 1.00 3.93 parsed_2mjq 1
11 1 . . . . . 3.24 1.00 3.24 parsed_2mjq 1
12 1 . . . . . 3.17 1.00 3.17 parsed_2mjq 1
13 1 . . . . . 3.14 1.00 3.14 parsed_2mjq 1
14 1 . . . . . 3.02 1.00 3.02 parsed_2mjq 1
15 1 . . . . . 4.42 1.00 4.42 parsed_2mjq 1
16 1 . . . . . 3.52 1.00 3.52 parsed_2mjq 1
17 1 . . . . . 4.29 1.00 4.29 parsed_2mjq 1
18 1 . . . . . 4.66 1.00 4.66 parsed_2mjq 1
19 1 . . . . . 3.21 1.00 3.21 parsed_2mjq 1
20 1 . . . . . 2.83 1.00 2.83 parsed_2mjq 1
21 1 . . . . . 3.39 1.00 3.39 parsed_2mjq 1
22 1 . . . . . 4.97 1.00 4.97 parsed_2mjq 1
23 1 . . . . . 3.45 1.00 3.45 parsed_2mjq 1
24 1 . . . . . 3.55 1.00 3.55 parsed_2mjq 1
25 1 . . . . . 4.29 1.00 4.29 parsed_2mjq 1
26 1 . . . . . 4.48 1.00 4.48 parsed_2mjq 1
27 1 . . . . . 3.45 1.00 3.45 parsed_2mjq 1
28 1 . . . . . 3.52 1.00 3.52 parsed_2mjq 1
29 1 . . . . . 3.52 1.00 3.52 parsed_2mjq 1
30 1 . . . . . 5.50 1.00 5.50 parsed_2mjq 1
31 1 . . . . . 4.42 1.00 4.42 parsed_2mjq 1
32 1 . . . . . 4.20 1.00 4.20 parsed_2mjq 1
33 1 . . . . . 2.83 1.00 2.83 parsed_2mjq 1
34 1 . . . . . 3.98 1.00 3.98 parsed_2mjq 1
35 1 . . . . . 2.71 1.00 2.71 parsed_2mjq 1
36 1 . . . . . 2.86 1.00 2.86 parsed_2mjq 1
37 1 . . . . . 4.20 1.00 4.20 parsed_2mjq 1
38 1 . . . . . 2.74 1.00 2.74 parsed_2mjq 1
39 1 . . . . . 3.98 1.00 3.98 parsed_2mjq 1
40 1 . . . . . 2.68 1.00 2.68 parsed_2mjq 1
41 1 . . . . . 4.45 1.00 4.45 parsed_2mjq 1
42 1 . . . . . 2.83 1.00 2.83 parsed_2mjq 1
43 1 . . . . . 3.39 1.00 3.39 parsed_2mjq 1
44 1 . . . . . 3.14 1.00 3.14 parsed_2mjq 1
45 1 . . . . . 3.42 1.00 3.42 parsed_2mjq 1
46 1 . . . . . 3.05 1.00 3.05 parsed_2mjq 1
47 1 . . . . . 2.90 1.00 2.90 parsed_2mjq 1
48 1 . . . . . 3.08 1.00 3.08 parsed_2mjq 1
49 1 . . . . . 3.83 1.00 3.83 parsed_2mjq 1
50 1 . . . . . 2.83 1.00 2.83 parsed_2mjq 1
51 1 . . . . . 2.49 1.00 2.49 parsed_2mjq 1
52 1 . . . . . 2.80 1.00 2.80 parsed_2mjq 1
53 1 . . . . . 2.90 1.00 2.90 parsed_2mjq 1
54 1 . . . . . 3.47 1.00 3.47 parsed_2mjq 1
55 1 . . . . . 4.36 1.00 4.36 parsed_2mjq 1
56 1 . . . . . 2.99 1.00 2.99 parsed_2mjq 1
57 1 . . . . . 3.11 1.00 3.11 parsed_2mjq 1
58 1 . . . . . 2.40 1.00 2.40 parsed_2mjq 1
59 1 . . . . . 2.80 1.00 2.80 parsed_2mjq 1
60 1 . . . . . 2.71 1.00 2.71 parsed_2mjq 1
61 1 . . . . . 3.73 1.00 3.73 parsed_2mjq 1
62 1 . . . . . 3.48 1.00 3.48 parsed_2mjq 1
63 1 . . . . . 3.08 1.00 3.08 parsed_2mjq 1
64 1 . . . . . 2.93 1.00 2.93 parsed_2mjq 1
65 1 . . . . . 3.42 1.00 3.42 parsed_2mjq 1
66 1 . . . . . 3.17 1.00 3.17 parsed_2mjq 1
67 1 . . . . . 2.83 1.00 2.83 parsed_2mjq 1
68 1 . . . . . 3.73 1.00 3.73 parsed_2mjq 1
69 1 . . . . . 2.86 1.00 2.86 parsed_2mjq 1
70 1 . . . . . 2.62 1.00 2.62 parsed_2mjq 1
71 1 . . . . . 2.65 1.00 2.65 parsed_2mjq 1
72 1 . . . . . 2.86 1.00 2.86 parsed_2mjq 1
73 1 . . . . . 6.38 1.00 6.38 parsed_2mjq 1
74 1 . . . . . 6.38 1.00 6.38 parsed_2mjq 1
75 1 . . . . . 5.50 1.00 5.50 parsed_2mjq 1
76 1 . . . . . 5.28 1.00 5.28 parsed_2mjq 1
77 1 . . . . . 5.50 1.00 5.50 parsed_2mjq 1
78 1 . . . . . 5.19 1.00 5.19 parsed_2mjq 1
79 1 . . . . . 4.35 1.00 4.35 parsed_2mjq 1
80 1 . . . . . 5.50 1.00 5.50 parsed_2mjq 1
81 1 . . . . . 5.34 1.00 5.34 parsed_2mjq 1
82 1 . . . . . 4.45 1.00 4.45 parsed_2mjq 1
83 1 . . . . . 4.45 1.00 4.45 parsed_2mjq 1
84 1 . . . . . 3.21 1.00 3.21 parsed_2mjq 1
85 1 . . . . . 2.40 1.00 2.40 parsed_2mjq 1
86 1 . . . . . 3.30 1.00 3.30 parsed_2mjq 1
87 1 . . . . . 2.86 1.00 2.86 parsed_2mjq 1
88 1 . . . . . 2.40 1.00 2.40 parsed_2mjq 1
89 1 . . . . . 4.01 1.00 4.01 parsed_2mjq 1
90 1 . . . . . 3.05 1.00 3.05 parsed_2mjq 1
91 1 . . . . . 3.42 1.00 3.42 parsed_2mjq 1
92 1 . . . . . 4.01 1.00 4.01 parsed_2mjq 1
93 1 . . . . . 3.83 1.00 3.83 parsed_2mjq 1
94 1 . . . . . 3.48 1.00 3.48 parsed_2mjq 1
95 1 . . . . . 3.14 1.00 3.14 parsed_2mjq 1
96 1 . . . . . 6.38 1.00 6.38 parsed_2mjq 1
97 1 . . . . . 7.27 1.00 7.27 parsed_2mjq 1
98 1 . . . . . 3.08 1.00 3.08 parsed_2mjq 1
99 1 . . . . . 5.07 1.00 5.07 parsed_2mjq 1
100 1 . . . . . 4.11 1.00 4.11 parsed_2mjq 1
101 1 . . . . . 4.63 1.00 4.63 parsed_2mjq 1
102 1 . . . . . 3.64 1.00 3.64 parsed_2mjq 1
103 1 . . . . . 3.76 1.00 3.76 parsed_2mjq 1
104 1 . . . . . 4.04 1.00 4.04 parsed_2mjq 1
105 1 . . . . . 3.61 1.00 3.61 parsed_2mjq 1
106 1 . . . . . 4.63 1.00 4.63 parsed_2mjq 1
107 1 . . . . . 5.28 1.00 5.28 parsed_2mjq 1
108 1 . . . . . 4.94 1.00 4.94 parsed_2mjq 1
109 1 . . . . . 5.37 1.00 5.37 parsed_2mjq 1
110 1 . . . . . 3.67 1.00 3.67 parsed_2mjq 1
111 1 . . . . . 4.35 1.00 4.35 parsed_2mjq 1
112 1 . . . . . 7.53 1.00 7.53 parsed_2mjq 1
113 1 . . . . . 6.48 1.00 6.48 parsed_2mjq 1
114 1 . . . . . 6.60 1.00 6.60 parsed_2mjq 1
115 1 . . . . . 5.87 1.00 5.87 parsed_2mjq 1
116 1 . . . . . 6.09 1.00 6.09 parsed_2mjq 1
117 1 . . . . . 4.97 1.00 4.97 parsed_2mjq 1
118 1 . . . . . 5.96 1.00 5.96 parsed_2mjq 1
119 1 . . . . . 5.67 1.00 5.67 parsed_2mjq 1
120 1 . . . . . 7.60 1.00 7.60 parsed_2mjq 1
121 1 . . . . . 6.85 1.00 6.85 parsed_2mjq 1
122 1 . . . . . 4.69 1.00 4.69 parsed_2mjq 1
123 1 . . . . . 4.35 1.00 4.35 parsed_2mjq 1
124 1 . . . . . 4.10 1.00 4.10 parsed_2mjq 1
125 1 . . . . . 5.65 1.00 5.65 parsed_2mjq 1
126 1 . . . . . 4.97 1.00 4.97 parsed_2mjq 1
127 1 . . . . . 4.97 1.00 4.97 parsed_2mjq 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 no 2" 1 75 1 88 parsed_2mjq 1
2 "peak no 3" 2 75 2 88 parsed_2mjq 1
3 "peak no 5" 3 75 3 88 parsed_2mjq 1
4 "peak no 7" 4 75 4 88 parsed_2mjq 1
5 "peak no 10" 5 75 5 88 parsed_2mjq 1
6 "peak no 12" 6 75 6 88 parsed_2mjq 1
7 "peak no 15" 7 75 7 88 parsed_2mjq 1
8 "peak no 18" 8 75 8 88 parsed_2mjq 1
9 "peak no 26" 9 75 9 88 parsed_2mjq 1
10 "peak no 48" 10 75 10 88 parsed_2mjq 1
11 "peak no 50" 11 75 11 88 parsed_2mjq 1
12 "peak no 53" 12 75 12 88 parsed_2mjq 1
13 "peak no 55" 13 75 13 88 parsed_2mjq 1
14 "peak no 56" 14 75 14 88 parsed_2mjq 1
15 "peak no 58" 15 75 15 88 parsed_2mjq 1
16 "peak no 61" 16 75 16 88 parsed_2mjq 1
17 "peak no 62" 17 75 17 88 parsed_2mjq 1
18 "peak no 64" 18 75 18 88 parsed_2mjq 1
19 "peak no 66" 19 75 19 88 parsed_2mjq 1
20 "peak no 68" 20 75 20 88 parsed_2mjq 1
21 "peak no 70" 21 75 21 88 parsed_2mjq 1
22 "peak no 72" 22 75 22 88 parsed_2mjq 1
23 "peak no 74" 23 75 23 88 parsed_2mjq 1
24 "peak no 77" 24 75 24 88 parsed_2mjq 1
25 "peak no 79" 25 75 25 88 parsed_2mjq 1
26 "peak no 81" 26 75 26 88 parsed_2mjq 1
27 "peak no 83" 27 75 27 88 parsed_2mjq 1
28 "peak no 84" 28 75 28 88 parsed_2mjq 1
29 "peak no 87" 29 75 29 88 parsed_2mjq 1
30 "peak no 88" 30 75 30 88 parsed_2mjq 1
31 "peak no 91" 31 75 31 88 parsed_2mjq 1
32 "peak no 92" 32 75 32 88 parsed_2mjq 1
33 "peak no 98" 33 75 33 88 parsed_2mjq 1
34 "peak no 101" 34 75 34 88 parsed_2mjq 1
35 "peak no 103" 35 75 35 88 parsed_2mjq 1
36 "peak no 105" 36 75 36 88 parsed_2mjq 1
37 "peak no 107" 37 75 37 88 parsed_2mjq 1
38 "peak no 108" 38 75 38 88 parsed_2mjq 1
39 "peak no 110" 39 75 39 88 parsed_2mjq 1
40 "peak no 112" 40 75 40 88 parsed_2mjq 1
41 "peak no 115" 41 75 41 88 parsed_2mjq 1
42 "peak no 116" 42 75 42 88 parsed_2mjq 1
43 "peak no 118" 43 75 43 88 parsed_2mjq 1
44 "peak no 120" 44 75 44 88 parsed_2mjq 1
45 "peak no 123" 45 75 45 88 parsed_2mjq 1
46 "peak no 145" 46 75 46 88 parsed_2mjq 1
47 "peak no 167" 47 75 47 88 parsed_2mjq 1
48 "peak no 172" 48 75 48 88 parsed_2mjq 1
49 "peak no 177" 49 75 49 88 parsed_2mjq 1
50 "peak no 178" 50 75 50 88 parsed_2mjq 1
51 "peak no 204" 51 75 51 88 parsed_2mjq 1
52 "peak no 210" 52 75 52 88 parsed_2mjq 1
53 "peak no 213" 53 75 53 88 parsed_2mjq 1
54 "peak no 221" 54 75 54 88 parsed_2mjq 1
55 "peak no 225" 55 75 55 88 parsed_2mjq 1
56 "peak no 260" 56 75 56 88 parsed_2mjq 1
57 "peak no 279" 57 75 57 88 parsed_2mjq 1
58 "peak no 280" 58 75 58 88 parsed_2mjq 1
59 "peak no 286" 59 75 59 88 parsed_2mjq 1
60 "peak no 291" 60 75 60 88 parsed_2mjq 1
61 "peak no 297" 61 75 61 88 parsed_2mjq 1
62 "peak no 330" 62 75 62 88 parsed_2mjq 1
63 "peak no 365" 63 75 63 88 parsed_2mjq 1
64 "peak no 373" 64 75 64 88 parsed_2mjq 1
65 "peak no 383" 65 75 65 88 parsed_2mjq 1
66 "peak no 384" 66 75 66 88 parsed_2mjq 1
67 "peak no 386" 67 75 67 88 parsed_2mjq 1
68 "peak no 418" 68 75 68 88 parsed_2mjq 1
69 "peak no 422" 69 75 69 88 parsed_2mjq 1
70 "peak no 444" 70 75 70 88 parsed_2mjq 1
71 "peak no 452" 71 75 71 88 parsed_2mjq 1
72 "peak no 461" 72 75 72 88 parsed_2mjq 1
73 "peak no 19" 73 75 73 88 parsed_2mjq 1
74 "peak no 21" 74 75 74 88 parsed_2mjq 1
75 "peak no 29" 75 75 75 88 parsed_2mjq 1
76 "peak no 31" 76 75 76 88 parsed_2mjq 1
77 "peak no 33" 77 75 77 88 parsed_2mjq 1
78 "peak no 34" 78 75 78 88 parsed_2mjq 1
79 "peak no 36" 79 75 79 88 parsed_2mjq 1
80 "peak no 41" 80 75 80 88 parsed_2mjq 1
81 "peak no 42" 81 75 81 88 parsed_2mjq 1
82 "peak no 45" 82 75 82 88 parsed_2mjq 1
83 "peak no 94" 83 75 83 88 parsed_2mjq 1
84 "peak no 97" 84 75 84 88 parsed_2mjq 1
85 "peak no 141" 85 75 85 88 parsed_2mjq 1
86 "peak no 158" 86 75 86 88 parsed_2mjq 1
87 "peak no 159" 87 75 87 88 parsed_2mjq 1
88 "peak no 193" 88 75 88 88 parsed_2mjq 1
89 "peak no 195" 89 75 89 88 parsed_2mjq 1
90 "peak no 197" 90 75 90 88 parsed_2mjq 1
91 "peak no 198" 91 75 91 88 parsed_2mjq 1
92 "peak no 234" 92 75 92 88 parsed_2mjq 1
93 "peak no 235" 93 75 93 88 parsed_2mjq 1
94 "peak no 237" 94 75 94 88 parsed_2mjq 1
95 "peak no 242" 95 75 95 88 parsed_2mjq 1
96 "peak no 245" 96 75 96 88 parsed_2mjq 1
97 "peak no 248" 97 75 97 88 parsed_2mjq 1
98 "peak no 314" 98 75 98 88 parsed_2mjq 1
99 "peak no 315" 99 75 99 88 parsed_2mjq 1
100 "peak no 318" 100 75 100 88 parsed_2mjq 1
101 "peak no 320" 101 75 101 88 parsed_2mjq 1
102 "peak no 376" 102 75 102 88 parsed_2mjq 1
103 "peak no 377" 103 75 103 88 parsed_2mjq 1
104 "peak no 379" 104 75 104 88 parsed_2mjq 1
105 "peak no 437" 105 75 105 88 parsed_2mjq 1
106 "peak no 442" 106 75 106 88 parsed_2mjq 1
107 "peak no 46" 107 75 107 88 parsed_2mjq 1
108 "peak no 135" 108 75 108 88 parsed_2mjq 1
109 "peak no 149" 109 75 109 88 parsed_2mjq 1
110 "peak no 151" 110 75 110 88 parsed_2mjq 1
111 "peak no 152" 111 75 111 88 parsed_2mjq 1
112 "peak no 188" 112 75 112 88 parsed_2mjq 1
113 "peak no 189" 113 75 113 88 parsed_2mjq 1
114 "peak no 190" 114 75 114 88 parsed_2mjq 1
115 "peak no 229" 115 75 115 88 parsed_2mjq 1
116 "peak no 230" 116 75 116 88 parsed_2mjq 1
117 "peak no 253" 117 75 117 88 parsed_2mjq 1
118 "peak no 254" 118 75 118 88 parsed_2mjq 1
119 "peak no 262" 119 75 119 88 parsed_2mjq 1
120 "peak no 263" 120 75 120 88 parsed_2mjq 1
121 "peak no 267" 121 75 121 88 parsed_2mjq 1
122 "peak no 322" 122 75 122 88 parsed_2mjq 1
123 "peak no 324" 123 75 123 88 parsed_2mjq 1
124 "peak no 349" 124 75 124 88 parsed_2mjq 1
125 "peak no 351" 125 75 125 88 parsed_2mjq 1
126 "peak no 352" 126 75 126 88 parsed_2mjq 1
127 "peak no 352" 127 75 127 88 parsed_2mjq 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mjq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mjq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mjq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mjq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mjq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mjq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mjq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mjq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mjq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -29.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mjq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -16.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mjq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mjq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mjq 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 "PHI 3" 1 1 1 8 parsed_2mjq 1
2 "PSI 3" 4 1 4 8 parsed_2mjq 1
3 "PHI 4" 7 1 7 8 parsed_2mjq 1
4 "PSI 4" 10 1 10 8 parsed_2mjq 1
5 "PHI 5" 13 1 13 8 parsed_2mjq 1
6 "PSI 5" 16 1 16 8 parsed_2mjq 1
7 "PHI 6" 19 1 19 8 parsed_2mjq 1
8 "PSI 6" 22 1 22 8 parsed_2mjq 1
9 "PHI 7" 25 1 25 8 parsed_2mjq 1
10 "PSI 7" 28 1 28 8 parsed_2mjq 1
11 "PHI 8" 31 1 31 8 parsed_2mjq 1
12 "PSI 8" 34 1 34 8 parsed_2mjq 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mjq
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2mjq 2
2 1 . . . parsed_2mjq 2
3 1 . . . parsed_2mjq 2
4 1 . . . parsed_2mjq 2
5 1 . . . parsed_2mjq 2
6 1 . . . parsed_2mjq 2
7 1 . . . parsed_2mjq 2
8 1 . . . parsed_2mjq 2
9 1 . . . parsed_2mjq 2
10 1 . . . parsed_2mjq 2
11 1 . . . parsed_2mjq 2
12 1 . . . parsed_2mjq 2
13 1 . . . parsed_2mjq 2
14 1 . . . parsed_2mjq 2
15 1 . . . parsed_2mjq 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 . . . . . . . . . 2 . HA parsed_2mjq 2
1 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
2 1 1 . . . . . . . . . 3 . HA parsed_2mjq 2
2 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
3 1 1 . . . . . . . . . 4 . HA parsed_2mjq 2
3 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
4 1 1 . . . . . . . . . 5 . HA parsed_2mjq 2
4 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
5 1 1 . . . . . . . . . 6 . HA parsed_2mjq 2
5 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
6 1 1 . . . . . . . . . 6 . HN parsed_2mjq 2
6 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
7 1 1 . . . . . . . . . 7 . HA parsed_2mjq 2
7 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
8 1 1 . . . . . . . . . 7 . HN parsed_2mjq 2
8 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
9 1 1 . . . . . . . . . 8 . HA parsed_2mjq 2
9 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
10 1 1 . . . . . . . . . 8 . HB parsed_2mjq 2
10 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
11 1 1 . . . . . . . . . 9 . HA parsed_2mjq 2
11 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
12 1 1 . . . . . . . . . 9 . HN parsed_2mjq 2
12 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
13 1 1 . . . . . . . . . 10 . HA parsed_2mjq 2
13 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
14 1 1 . . . . . . . . . 10 . HN parsed_2mjq 2
14 1 2 . . . . . . . . . 32 . X parsed_2mjq 2
15 1 1 . . . . . . . . . 11 . H1 parsed_2mjq 2
15 1 2 . . . . . . . . . 32 . X parsed_2mjq 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 . . . . . 19.31 18.31 20.31 parsed_2mjq 2
2 1 . . . . . 17.32 16.32 18.32 parsed_2mjq 2
3 1 . . . . . 21.61 20.61 22.61 parsed_2mjq 2
4 1 . . . . . 21.34 20.34 22.34 parsed_2mjq 2
5 1 . . . . . 16.04 15.04 17.04 parsed_2mjq 2
6 1 . . . . . 17.07 16.07 18.07 parsed_2mjq 2
7 1 . . . . . 19.01 18.01 20.01 parsed_2mjq 2
8 1 . . . . . 18.06 17.06 19.06 parsed_2mjq 2
9 1 . . . . . 23.16 22.16 24.16 parsed_2mjq 2
10 1 . . . . . 22.99 21.99 23.99 parsed_2mjq 2
11 1 . . . . . 20.23 19.23 21.23 parsed_2mjq 2
12 1 . . . . . 19.21 18.21 20.21 parsed_2mjq 2
13 1 . . . . . 18.99 17.99 19.99 parsed_2mjq 2
14 1 . . . . . 18.57 17.57 19.57 parsed_2mjq 2
15 1 . . . . . 22.77 21.77 23.77 parsed_2mjq 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 "distance constraints to micelle center ( X)" 1 1 1 46 parsed_2mjq 2
2 "peak no 352" 2 76 2 89 parsed_2mjq 2
3 "peak no 352" 3 76 3 89 parsed_2mjq 2
4 "peak no 352" 4 76 4 89 parsed_2mjq 2
5 "peak no 352" 5 76 5 89 parsed_2mjq 2
6 "peak no 352" 6 76 6 89 parsed_2mjq 2
7 "peak no 352" 7 77 7 90 parsed_2mjq 2
8 "peak no 352" 8 76 8 89 parsed_2mjq 2
9 "peak no 352" 9 77 9 90 parsed_2mjq 2
10 "peak no 352" 10 76 10 89 parsed_2mjq 2
11 "peak no 352" 11 76 11 89 parsed_2mjq 2
12 "peak no 352" 12 76 12 89 parsed_2mjq 2
13 "peak no 352" 13 77 13 90 parsed_2mjq 2
14 "peak no 352" 14 76 14 89 parsed_2mjq 2
15 "peak no 352" 15 77 15 90 parsed_2mjq 2
16 "peak no 352" 16 76 16 89 parsed_2mjq 2
stop_
save_