NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
37459 |
1pmc   |
cing | recoord | 2-parsed | STAR | entry | full | 216 |
data_1pmc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pmc
_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_1pmc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pmc
_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 1pmc "Master copy" parsed_1pmc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pmc
_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 1pmc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pmc 1
1 1pmc.mr . . XPLOR/CNS 2 distance NOE simple 163 parsed_1pmc 1
1 1pmc.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1pmc 1
1 1pmc.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 18 parsed_1pmc 1
1 1pmc.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1pmc 1
1 1pmc.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 35 parsed_1pmc 1
1 1pmc.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pmc 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_1pmc
_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 PROTEINASE INHIBITOR 17-SEP-95 1PMC
*TITLE PROTEINASE INHIBITOR PMP-C (NMR, 36 STRUCTURES)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: PROTEINASE INHIBITOR PMP-C;
*COMPND 3 CHAIN: NULL;
*COMPND 4 SYNONYM: LMCI II;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: LOCUSTA MIGRATORIA;
*SOURCE 4 ORGANISM_COMMON: MIGRATORY LOCUST;
*SOURCE 5 ORGAN: BRAIN;
*SOURCE 6 TISSUE: HEMOLYMPH AND FAT BODY
*KEYWDS CALCIUM CHANNEL BLOCKER
*EXPDTA NMR, 36 STRUCTURES
*AUTHOR G.MER,H.HIETTER,J.-F.LEFEVRE
*REVDAT 1 29-JAN-96 1PMC 0
remarks Distance information for PMP-C
remarks NOEs are classified as upper distances
remarks Strong NOE : between 1.8 A and 2.7 A
remarks Medium NOE : between 1.8 A and 3.5 A
remarks Weak NOE : between 1.8 A and 5.0 A
remarks ** Intraresidual NOEs **
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1pmc
_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_1pmc 1
2 1 . . . parsed_1pmc 1
3 1 . . . parsed_1pmc 1
4 1 . . . parsed_1pmc 1
5 1 . . . parsed_1pmc 1
6 1 . . . parsed_1pmc 1
7 1 . . . parsed_1pmc 1
8 1 . . . parsed_1pmc 1
9 1 . . . parsed_1pmc 1
10 1 . . . parsed_1pmc 1
11 1 . . . parsed_1pmc 1
12 1 . . . parsed_1pmc 1
13 1 . . . parsed_1pmc 1
14 1 . . . parsed_1pmc 1
15 1 . . . parsed_1pmc 1
16 1 . . . parsed_1pmc 1
17 1 . . . parsed_1pmc 1
18 1 . . . parsed_1pmc 1
19 1 . . . parsed_1pmc 1
20 1 . . . parsed_1pmc 1
21 1 . . . parsed_1pmc 1
22 1 . . . parsed_1pmc 1
23 1 . . . parsed_1pmc 1
24 1 . . . parsed_1pmc 1
25 1 . . . parsed_1pmc 1
26 1 . . . parsed_1pmc 1
27 1 . . . parsed_1pmc 1
28 1 . . . parsed_1pmc 1
29 1 . . . parsed_1pmc 1
30 1 . . . parsed_1pmc 1
31 1 . . . parsed_1pmc 1
32 1 . . . parsed_1pmc 1
33 1 . . . parsed_1pmc 1
34 1 . . . parsed_1pmc 1
35 1 . . . parsed_1pmc 1
36 1 . . . parsed_1pmc 1
37 1 . . . parsed_1pmc 1
38 1 . . . parsed_1pmc 1
39 1 . . . parsed_1pmc 1
40 1 . . . parsed_1pmc 1
41 1 . . . parsed_1pmc 1
42 1 . . . parsed_1pmc 1
43 1 . . . parsed_1pmc 1
44 1 . . . parsed_1pmc 1
45 1 . . . parsed_1pmc 1
46 1 . . . parsed_1pmc 1
47 1 . . . parsed_1pmc 1
48 1 . . . parsed_1pmc 1
49 1 . . . parsed_1pmc 1
50 1 . . . parsed_1pmc 1
51 1 . . . parsed_1pmc 1
52 1 . . . parsed_1pmc 1
53 1 . . . parsed_1pmc 1
54 1 . . . parsed_1pmc 1
55 1 . . . parsed_1pmc 1
56 1 . . . parsed_1pmc 1
57 1 . . . parsed_1pmc 1
58 1 . . . parsed_1pmc 1
59 1 . . . parsed_1pmc 1
60 1 . . . parsed_1pmc 1
61 1 . . . parsed_1pmc 1
62 1 . . . parsed_1pmc 1
63 1 . . . parsed_1pmc 1
64 1 . . . parsed_1pmc 1
65 1 . . . parsed_1pmc 1
66 1 . . . parsed_1pmc 1
67 1 . . . parsed_1pmc 1
68 1 . . . parsed_1pmc 1
69 1 . . . parsed_1pmc 1
70 1 . . . parsed_1pmc 1
71 1 . . . parsed_1pmc 1
72 1 . . . parsed_1pmc 1
73 1 . . . parsed_1pmc 1
74 1 . . . parsed_1pmc 1
75 1 . . . parsed_1pmc 1
76 1 . . . parsed_1pmc 1
77 1 . . . parsed_1pmc 1
78 1 . . . parsed_1pmc 1
79 1 . . . parsed_1pmc 1
80 1 . . . parsed_1pmc 1
81 1 . . . parsed_1pmc 1
82 1 . . . parsed_1pmc 1
83 1 . . . parsed_1pmc 1
84 1 . . . parsed_1pmc 1
85 1 . . . parsed_1pmc 1
86 1 . . . parsed_1pmc 1
87 1 . . . parsed_1pmc 1
88 1 . . . parsed_1pmc 1
89 1 . . . parsed_1pmc 1
90 1 . . . parsed_1pmc 1
91 1 . . . parsed_1pmc 1
92 1 . . . parsed_1pmc 1
93 1 . . . parsed_1pmc 1
94 1 . . . parsed_1pmc 1
95 1 . . . parsed_1pmc 1
96 1 . . . parsed_1pmc 1
97 1 . . . parsed_1pmc 1
98 1 . . . parsed_1pmc 1
99 1 . . . parsed_1pmc 1
100 1 . . . parsed_1pmc 1
101 1 . . . parsed_1pmc 1
102 1 . . . parsed_1pmc 1
103 1 . . . parsed_1pmc 1
104 1 . . . parsed_1pmc 1
105 1 . . . parsed_1pmc 1
106 1 . . . parsed_1pmc 1
107 1 . . . parsed_1pmc 1
108 1 . . . parsed_1pmc 1
109 1 . . . parsed_1pmc 1
110 1 . . . parsed_1pmc 1
111 1 . . . parsed_1pmc 1
112 1 . . . parsed_1pmc 1
113 1 . . . parsed_1pmc 1
114 1 . . . parsed_1pmc 1
115 1 . . . parsed_1pmc 1
116 1 . . . parsed_1pmc 1
117 1 . . . parsed_1pmc 1
118 1 . . . parsed_1pmc 1
119 1 . . . parsed_1pmc 1
120 1 . . . parsed_1pmc 1
121 1 . . . parsed_1pmc 1
122 1 . . . parsed_1pmc 1
123 1 . . . parsed_1pmc 1
124 1 . . . parsed_1pmc 1
125 1 . . . parsed_1pmc 1
126 1 . . . parsed_1pmc 1
127 1 . . . parsed_1pmc 1
128 1 . . . parsed_1pmc 1
129 1 . . . parsed_1pmc 1
130 1 . . . parsed_1pmc 1
131 1 . . . parsed_1pmc 1
132 1 . . . parsed_1pmc 1
133 1 . . . parsed_1pmc 1
134 1 . . . parsed_1pmc 1
135 1 . . . parsed_1pmc 1
136 1 . . . parsed_1pmc 1
137 1 . . . parsed_1pmc 1
138 1 . . . parsed_1pmc 1
139 1 . . . parsed_1pmc 1
140 1 . . . parsed_1pmc 1
141 1 . . . parsed_1pmc 1
142 1 . . . parsed_1pmc 1
143 1 . . . parsed_1pmc 1
144 1 . . . parsed_1pmc 1
145 1 . . . parsed_1pmc 1
146 1 . . . parsed_1pmc 1
147 1 . . . parsed_1pmc 1
148 1 . . . parsed_1pmc 1
149 1 . . . parsed_1pmc 1
150 1 . . . parsed_1pmc 1
151 1 . . . parsed_1pmc 1
152 1 . . . parsed_1pmc 1
153 1 . . . parsed_1pmc 1
154 1 . . . parsed_1pmc 1
155 1 . . . parsed_1pmc 1
156 1 . . . parsed_1pmc 1
157 1 . . . parsed_1pmc 1
158 1 . . . parsed_1pmc 1
159 1 . . . parsed_1pmc 1
160 1 . . . parsed_1pmc 1
161 1 . . . parsed_1pmc 1
162 1 . . . parsed_1pmc 1
163 1 . . . parsed_1pmc 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 . . . . . . . . . 9 . HN parsed_1pmc 1
1 1 2 . . . . . . . . . 9 . HA parsed_1pmc 1
2 1 1 . . . . . . . . . 9 . HN parsed_1pmc 1
2 1 2 . . . . . . . . . 9 . HB parsed_1pmc 1
3 1 1 . . . . . . . . . 10 . HN parsed_1pmc 1
3 1 2 . . . . . . . . . 10 . HA parsed_1pmc 1
4 1 1 . . . . . . . . . 13 . HN parsed_1pmc 1
4 1 2 . . . . . . . . . 13 . HA parsed_1pmc 1
5 1 1 . . . . . . . . . 15 . HD21 parsed_1pmc 1
5 1 2 . . . . . . . . . 15 . HB2 parsed_1pmc 1
6 1 1 . . . . . . . . . 15 . HD22 parsed_1pmc 1
6 1 2 . . . . . . . . . 15 . HB2 parsed_1pmc 1
7 1 1 . . . . . . . . . 16 . HN parsed_1pmc 1
7 1 2 . . . . . . . . . 16 . HB parsed_1pmc 1
8 1 1 . . . . . . . . . 17 . HN parsed_1pmc 1
8 1 2 . . . . . . . . . 17 . HA parsed_1pmc 1
9 1 1 . . . . . . . . . 17 . HN parsed_1pmc 1
9 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1
10 1 1 . . . . . . . . . 17 . HN parsed_1pmc 1
10 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1
11 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1
11 1 2 . . . . . . . . . 19 . HA parsed_1pmc 1
12 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1
12 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1
13 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1
13 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1
14 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1
14 1 2 . . . . . . . . . 20 . HA1 parsed_1pmc 1
15 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1
15 1 2 . . . . . . . . . 20 . HA2 parsed_1pmc 1
16 1 1 . . . . . . . . . 28 . HN parsed_1pmc 1
16 1 2 . . . . . . . . . 28 . HA parsed_1pmc 1
17 1 1 . . . . . . . . . 28 . HN parsed_1pmc 1
17 1 2 . . . . . . . . . 28 . HB1 parsed_1pmc 1
18 1 1 . . . . . . . . . 28 . HN parsed_1pmc 1
18 1 2 . . . . . . . . . 28 . HB2 parsed_1pmc 1
19 1 1 . . . . . . . . . 29 . HN parsed_1pmc 1
19 1 2 . . . . . . . . . 29 . HB parsed_1pmc 1
20 1 1 . . . . . . . . . 32 . HN parsed_1pmc 1
20 1 2 . . . . . . . . . 32 . HB* parsed_1pmc 1
21 1 1 . . . . . . . . . 2 . HA parsed_1pmc 1
21 1 2 . . . . . . . . . 3 . HN parsed_1pmc 1
22 1 1 . . . . . . . . . 3 . HA parsed_1pmc 1
22 1 2 . . . . . . . . . 4 . HN parsed_1pmc 1
23 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1
23 1 2 . . . . . . . . . 7 . HN parsed_1pmc 1
24 1 1 . . . . . . . . . 8 . HA parsed_1pmc 1
24 1 2 . . . . . . . . . 9 . HN parsed_1pmc 1
25 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1
25 1 2 . . . . . . . . . 10 . HN parsed_1pmc 1
26 1 1 . . . . . . . . . 10 . HA parsed_1pmc 1
26 1 2 . . . . . . . . . 11 . HN parsed_1pmc 1
27 1 1 . . . . . . . . . 12 . HA parsed_1pmc 1
27 1 2 . . . . . . . . . 13 . HN parsed_1pmc 1
28 1 1 . . . . . . . . . 13 . HA parsed_1pmc 1
28 1 2 . . . . . . . . . 14 . HN parsed_1pmc 1
29 1 1 . . . . . . . . . 14 . HA parsed_1pmc 1
29 1 2 . . . . . . . . . 15 . HN parsed_1pmc 1
30 1 1 . . . . . . . . . 16 . HA parsed_1pmc 1
30 1 2 . . . . . . . . . 17 . HN parsed_1pmc 1
31 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1
31 1 2 . . . . . . . . . 18 . HN parsed_1pmc 1
32 1 1 . . . . . . . . . 22 . HA parsed_1pmc 1
32 1 2 . . . . . . . . . 23 . HN parsed_1pmc 1
33 1 1 . . . . . . . . . 23 . HA* parsed_1pmc 1
33 1 2 . . . . . . . . . 24 . HN parsed_1pmc 1
34 1 1 . . . . . . . . . 24 . HA parsed_1pmc 1
34 1 2 . . . . . . . . . 25 . HN parsed_1pmc 1
35 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1
35 1 2 . . . . . . . . . 26 . HN parsed_1pmc 1
36 1 1 . . . . . . . . . 26 . HA parsed_1pmc 1
36 1 2 . . . . . . . . . 27 . HN parsed_1pmc 1
37 1 1 . . . . . . . . . 28 . HA parsed_1pmc 1
37 1 2 . . . . . . . . . 29 . HN parsed_1pmc 1
38 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1
38 1 2 . . . . . . . . . 30 . HN parsed_1pmc 1
39 1 1 . . . . . . . . . 30 . HA parsed_1pmc 1
39 1 2 . . . . . . . . . 31 . HN parsed_1pmc 1
40 1 1 . . . . . . . . . 31 . HA parsed_1pmc 1
40 1 2 . . . . . . . . . 32 . HN parsed_1pmc 1
41 1 1 . . . . . . . . . 32 . HA parsed_1pmc 1
41 1 2 . . . . . . . . . 33 . HN parsed_1pmc 1
42 1 1 . . . . . . . . . 34 . HA parsed_1pmc 1
42 1 2 . . . . . . . . . 35 . HN parsed_1pmc 1
43 1 1 . . . . . . . . . 7 . HN parsed_1pmc 1
43 1 2 . . . . . . . . . 8 . HN parsed_1pmc 1
44 1 1 . . . . . . . . . 15 . HN parsed_1pmc 1
44 1 2 . . . . . . . . . 16 . HN parsed_1pmc 1
45 1 1 . . . . . . . . . 21 . HN parsed_1pmc 1
45 1 2 . . . . . . . . . 22 . HN parsed_1pmc 1
46 1 1 . . . . . . . . . 24 . HN parsed_1pmc 1
46 1 2 . . . . . . . . . 25 . HN parsed_1pmc 1
47 1 1 . . . . . . . . . 1 . HB* parsed_1pmc 1
47 1 2 . . . . . . . . . 2 . HN parsed_1pmc 1
48 1 1 . . . . . . . . . 2 . HB parsed_1pmc 1
48 1 2 . . . . . . . . . 3 . HN parsed_1pmc 1
49 1 1 . . . . . . . . . 2 . HG2* parsed_1pmc 1
49 1 2 . . . . . . . . . 3 . HN parsed_1pmc 1
50 1 1 . . . . . . . . . 3 . HB* parsed_1pmc 1
50 1 2 . . . . . . . . . 4 . HN parsed_1pmc 1
51 1 1 . . . . . . . . . 4 . HB1 parsed_1pmc 1
51 1 2 . . . . . . . . . 5 . HN parsed_1pmc 1
52 1 1 . . . . . . . . . 4 . HB2 parsed_1pmc 1
52 1 2 . . . . . . . . . 5 . HN parsed_1pmc 1
53 1 1 . . . . . . . . . 5 . HA parsed_1pmc 1
53 1 2 . . . . . . . . . 6 . HD1 parsed_1pmc 1
54 1 1 . . . . . . . . . 5 . HA parsed_1pmc 1
54 1 2 . . . . . . . . . 6 . HD2 parsed_1pmc 1
55 1 1 . . . . . . . . . 6 . HB1 parsed_1pmc 1
55 1 2 . . . . . . . . . 7 . HN parsed_1pmc 1
56 1 1 . . . . . . . . . 6 . HB2 parsed_1pmc 1
56 1 2 . . . . . . . . . 7 . HN parsed_1pmc 1
57 1 1 . . . . . . . . . 8 . HB* parsed_1pmc 1
57 1 2 . . . . . . . . . 9 . HN parsed_1pmc 1
58 1 1 . . . . . . . . . 9 . HB parsed_1pmc 1
58 1 2 . . . . . . . . . 10 . HN parsed_1pmc 1
59 1 1 . . . . . . . . . 9 . HG2* parsed_1pmc 1
59 1 2 . . . . . . . . . 10 . HN parsed_1pmc 1
60 1 1 . . . . . . . . . 10 . HB* parsed_1pmc 1
60 1 2 . . . . . . . . . 11 . HN parsed_1pmc 1
61 1 1 . . . . . . . . . 11 . HB1 parsed_1pmc 1
61 1 2 . . . . . . . . . 12 . HN parsed_1pmc 1
62 1 1 . . . . . . . . . 11 . HB2 parsed_1pmc 1
62 1 2 . . . . . . . . . 12 . HN parsed_1pmc 1
63 1 1 . . . . . . . . . 12 . HB2 parsed_1pmc 1
63 1 2 . . . . . . . . . 13 . HN parsed_1pmc 1
64 1 1 . . . . . . . . . 13 . HB1 parsed_1pmc 1
64 1 2 . . . . . . . . . 14 . HN parsed_1pmc 1
65 1 1 . . . . . . . . . 13 . HB2 parsed_1pmc 1
65 1 2 . . . . . . . . . 14 . HN parsed_1pmc 1
66 1 1 . . . . . . . . . 15 . HB1 parsed_1pmc 1
66 1 2 . . . . . . . . . 16 . HN parsed_1pmc 1
67 1 1 . . . . . . . . . 15 . HB2 parsed_1pmc 1
67 1 2 . . . . . . . . . 16 . HN parsed_1pmc 1
68 1 1 . . . . . . . . . 16 . HB parsed_1pmc 1
68 1 2 . . . . . . . . . 17 . HN parsed_1pmc 1
69 1 1 . . . . . . . . . 17 . HB1 parsed_1pmc 1
69 1 2 . . . . . . . . . 18 . HN parsed_1pmc 1
70 1 1 . . . . . . . . . 17 . HB2 parsed_1pmc 1
70 1 2 . . . . . . . . . 18 . HN parsed_1pmc 1
71 1 1 . . . . . . . . . 18 . HG1 parsed_1pmc 1
71 1 2 . . . . . . . . . 19 . HN parsed_1pmc 1
72 1 1 . . . . . . . . . 18 . HG2 parsed_1pmc 1
72 1 2 . . . . . . . . . 19 . HN parsed_1pmc 1
73 1 1 . . . . . . . . . 21 . HB* parsed_1pmc 1
73 1 2 . . . . . . . . . 22 . HN parsed_1pmc 1
74 1 1 . . . . . . . . . 25 . HB1 parsed_1pmc 1
74 1 2 . . . . . . . . . 26 . HN parsed_1pmc 1
75 1 1 . . . . . . . . . 25 . HB2 parsed_1pmc 1
75 1 2 . . . . . . . . . 26 . HN parsed_1pmc 1
76 1 1 . . . . . . . . . 27 . HB* parsed_1pmc 1
76 1 2 . . . . . . . . . 28 . HN parsed_1pmc 1
77 1 1 . . . . . . . . . 28 . HB1 parsed_1pmc 1
77 1 2 . . . . . . . . . 29 . HN parsed_1pmc 1
78 1 1 . . . . . . . . . 28 . HB2 parsed_1pmc 1
78 1 2 . . . . . . . . . 29 . HN parsed_1pmc 1
79 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1
79 1 2 . . . . . . . . . 30 . HD1* parsed_1pmc 1
80 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1
80 1 2 . . . . . . . . . 30 . HD2* parsed_1pmc 1
81 1 1 . . . . . . . . . 29 . HA parsed_1pmc 1
81 1 2 . . . . . . . . . 30 . HG parsed_1pmc 1
82 1 1 . . . . . . . . . 29 . HG2* parsed_1pmc 1
82 1 2 . . . . . . . . . 30 . HN parsed_1pmc 1
83 1 1 . . . . . . . . . 31 . HB* parsed_1pmc 1
83 1 2 . . . . . . . . . 32 . HN parsed_1pmc 1
84 1 1 . . . . . . . . . 32 . HB* parsed_1pmc 1
84 1 2 . . . . . . . . . 33 . HN parsed_1pmc 1
85 1 1 . . . . . . . . . 33 . HA parsed_1pmc 1
85 1 2 . . . . . . . . . 34 . HD1 parsed_1pmc 1
86 1 1 . . . . . . . . . 33 . HA parsed_1pmc 1
86 1 2 . . . . . . . . . 34 . HD2 parsed_1pmc 1
87 1 1 . . . . . . . . . 3 . HA parsed_1pmc 1
87 1 2 . . . . . . . . . 23 . HA* parsed_1pmc 1
88 1 1 . . . . . . . . . 3 . HA parsed_1pmc 1
88 1 2 . . . . . . . . . 25 . HA parsed_1pmc 1
89 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1
89 1 2 . . . . . . . . . 18 . HA parsed_1pmc 1
90 1 1 . . . . . . . . . 11 . HA parsed_1pmc 1
90 1 2 . . . . . . . . . 16 . HA parsed_1pmc 1
91 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1
91 1 2 . . . . . . . . . 28 . HA parsed_1pmc 1
92 1 1 . . . . . . . . . 19 . HA parsed_1pmc 1
92 1 2 . . . . . . . . . 26 . HA parsed_1pmc 1
93 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1
93 1 2 . . . . . . . . . 8 . HN parsed_1pmc 1
94 1 1 . . . . . . . . . 18 . HN parsed_1pmc 1
94 1 2 . . . . . . . . . 28 . HA parsed_1pmc 1
95 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1
95 1 2 . . . . . . . . . 9 . HA parsed_1pmc 1
96 1 1 . . . . . . . . . 20 . HA parsed_1pmc 1
96 1 2 . . . . . . . . . 22 . HN parsed_1pmc 1
97 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1
97 1 2 . . . . . . . . . 26 . HA parsed_1pmc 1
98 1 1 . . . . . . . . . 29 . HN parsed_1pmc 1
98 1 2 . . . . . . . . . 17 . HA parsed_1pmc 1
99 1 1 . . . . . . . . . 8 . HN parsed_1pmc 1
99 1 2 . . . . . . . . . 19 . HN parsed_1pmc 1
100 1 1 . . . . . . . . . 18 . HN parsed_1pmc 1
100 1 2 . . . . . . . . . 27 . HN parsed_1pmc 1
101 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1
101 1 2 . . . . . . . . . 25 . HN parsed_1pmc 1
102 1 1 . . . . . . . . . 7 . HN parsed_1pmc 1
102 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1
103 1 1 . . . . . . . . . 7 . HN parsed_1pmc 1
103 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1
104 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1
104 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1
105 1 1 . . . . . . . . . 6 . HA parsed_1pmc 1
105 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1
106 1 1 . . . . . . . . . 8 . HN parsed_1pmc 1
106 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1
107 1 1 . . . . . . . . . 8 . HN parsed_1pmc 1
107 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1
108 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1
108 1 2 . . . . . . . . . 10 . HD* parsed_1pmc 1
109 1 1 . . . . . . . . . 9 . HA parsed_1pmc 1
109 1 2 . . . . . . . . . 18 . HB2 parsed_1pmc 1
110 1 1 . . . . . . . . . 10 . HN parsed_1pmc 1
110 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1
111 1 1 . . . . . . . . . 11 . HA parsed_1pmc 1
111 1 2 . . . . . . . . . 16 . HG2* parsed_1pmc 1
112 1 1 . . . . . . . . . 11 . HN parsed_1pmc 1
112 1 2 . . . . . . . . . 10 . HD* parsed_1pmc 1
113 1 1 . . . . . . . . . 15 . HN parsed_1pmc 1
113 1 2 . . . . . . . . . 13 . HB1 parsed_1pmc 1
114 1 1 . . . . . . . . . 15 . HN parsed_1pmc 1
114 1 2 . . . . . . . . . 13 . HB2 parsed_1pmc 1
115 1 1 . . . . . . . . . 16 . HN parsed_1pmc 1
115 1 2 . . . . . . . . . 29 . HG2* parsed_1pmc 1
116 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1
116 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1
117 1 1 . . . . . . . . . 17 . HB1 parsed_1pmc 1
117 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1
118 1 1 . . . . . . . . . 18 . HA parsed_1pmc 1
118 1 2 . . . . . . . . . 9 . HG2* parsed_1pmc 1
119 1 1 . . . . . . . . . 19 . HA parsed_1pmc 1
119 1 2 . . . . . . . . . 10 . HE* parsed_1pmc 1
120 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1
120 1 2 . . . . . . . . . 10 . HD* parsed_1pmc 1
121 1 1 . . . . . . . . . 19 . HN parsed_1pmc 1
121 1 2 . . . . . . . . . 10 . HE* parsed_1pmc 1
122 1 1 . . . . . . . . . 20 . HN parsed_1pmc 1
122 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1
123 1 1 . . . . . . . . . 23 . HN parsed_1pmc 1
123 1 2 . . . . . . . . . 6 . HB1 parsed_1pmc 1
124 1 1 . . . . . . . . . 23 . HN parsed_1pmc 1
124 1 2 . . . . . . . . . 6 . HG1 parsed_1pmc 1
125 1 1 . . . . . . . . . 23 . HA1 parsed_1pmc 1
125 1 2 . . . . . . . . . 6 . HD1 parsed_1pmc 1
126 1 1 . . . . . . . . . 23 . HA2 parsed_1pmc 1
126 1 2 . . . . . . . . . 6 . HD1 parsed_1pmc 1
127 1 1 . . . . . . . . . 24 . HA parsed_1pmc 1
127 1 2 . . . . . . . . . 2 . HB parsed_1pmc 1
128 1 1 . . . . . . . . . 24 . HA parsed_1pmc 1
128 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1
129 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1
129 1 2 . . . . . . . . . 2 . HG11 parsed_1pmc 1
130 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1
130 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1
131 1 1 . . . . . . . . . 25 . HA parsed_1pmc 1
131 1 2 . . . . . . . . . 2 . HD* parsed_1pmc 1
132 1 1 . . . . . . . . . 25 . HN parsed_1pmc 1
132 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1
133 1 1 . . . . . . . . . 26 . HN parsed_1pmc 1
133 1 2 . . . . . . . . . 2 . HD* parsed_1pmc 1
134 1 1 . . . . . . . . . 29 . HN parsed_1pmc 1
134 1 2 . . . . . . . . . 15 . HB1 parsed_1pmc 1
135 1 1 . . . . . . . . . 30 . HA parsed_1pmc 1
135 1 2 . . . . . . . . . 15 . HB1 parsed_1pmc 1
136 1 1 . . . . . . . . . 30 . HN parsed_1pmc 1
136 1 2 . . . . . . . . . 29 . HG2* parsed_1pmc 1
137 1 1 . . . . . . . . . 31 . HN parsed_1pmc 1
137 1 2 . . . . . . . . . 15 . HD21 parsed_1pmc 1
138 1 1 . . . . . . . . . 31 . HN parsed_1pmc 1
138 1 2 . . . . . . . . . 15 . HD22 parsed_1pmc 1
139 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1
139 1 2 . . . . . . . . . 12 . HB2 parsed_1pmc 1
140 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1
140 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1
141 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1
141 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1
142 1 1 . . . . . . . . . 10 . HD* parsed_1pmc 1
142 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1
143 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1
143 1 2 . . . . . . . . . 12 . HB2 parsed_1pmc 1
144 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1
144 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1
145 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1
145 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1
146 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1
146 1 2 . . . . . . . . . 19 . HB1 parsed_1pmc 1
147 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1
147 1 2 . . . . . . . . . 19 . HB2 parsed_1pmc 1
148 1 1 . . . . . . . . . 10 . HE* parsed_1pmc 1
148 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1
149 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1
149 1 2 . . . . . . . . . 2 . HG2* parsed_1pmc 1
150 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1
150 1 2 . . . . . . . . . 2 . HD* parsed_1pmc 1
151 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1
151 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1
152 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1
152 1 2 . . . . . . . . . 17 . HB2 parsed_1pmc 1
153 1 1 . . . . . . . . . 10 . HZ parsed_1pmc 1
153 1 2 . . . . . . . . . 26 . HB* parsed_1pmc 1
154 1 1 . . . . . . . . . 16 . HB parsed_1pmc 1
154 1 2 . . . . . . . . . 29 . HG2* parsed_1pmc 1
155 1 1 . . . . . . . . . 28 . HB1 parsed_1pmc 1
155 1 2 . . . . . . . . . 30 . HD2* parsed_1pmc 1
156 1 1 . . . . . . . . . 14 . HN parsed_1pmc 1
156 1 2 . . . . . . . . . 33 . HB1 parsed_1pmc 1
157 1 1 . . . . . . . . . 14 . HB1 parsed_1pmc 1
157 1 2 . . . . . . . . . 33 . HB1 parsed_1pmc 1
158 1 1 . . . . . . . . . 14 . HB1 parsed_1pmc 1
158 1 2 . . . . . . . . . 33 . HB2 parsed_1pmc 1
159 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1
159 1 2 . . . . . . . . . 28 . HB2 parsed_1pmc 1
160 1 1 . . . . . . . . . 17 . HA parsed_1pmc 1
160 1 2 . . . . . . . . . 28 . HB1 parsed_1pmc 1
161 1 1 . . . . . . . . . 28 . HA parsed_1pmc 1
161 1 2 . . . . . . . . . 17 . HB1 parsed_1pmc 1
162 1 1 . . . . . . . . . 33 . HA parsed_1pmc 1
162 1 2 . . . . . . . . . 14 . HB1 parsed_1pmc 1
163 1 1 . . . . . . . . . 33 . HN parsed_1pmc 1
163 1 2 . . . . . . . . . 14 . HB2 parsed_1pmc 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 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
2 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
3 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
4 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
5 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
6 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
7 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
8 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
9 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
10 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
11 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
12 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
13 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
14 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
15 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
16 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
17 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
18 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
19 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
20 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
21 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
22 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
23 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
24 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
25 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
26 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
27 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
28 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
29 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
30 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
31 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
32 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
33 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
34 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
35 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
36 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
37 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
38 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
39 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
40 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
41 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
42 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
43 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
44 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
45 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
46 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
47 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
48 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
49 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
50 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
51 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
52 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
53 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
54 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
55 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
56 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
57 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
58 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
59 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
60 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
61 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
62 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
63 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
64 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
65 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
66 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
67 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
68 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
69 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
70 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
71 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
72 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
73 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
74 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
75 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
76 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
77 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
78 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
79 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
80 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
81 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
82 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
83 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
84 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
85 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
86 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
87 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
88 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
89 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
90 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
91 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
92 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
93 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
94 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
95 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
96 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
97 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
98 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
99 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
100 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
101 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
102 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
103 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
104 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
105 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
106 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
107 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
108 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
109 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
110 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
111 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
112 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
113 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
114 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
115 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
116 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
117 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
118 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
119 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
120 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
121 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
122 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
123 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
124 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
125 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
126 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
127 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
128 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
129 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
130 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
131 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
132 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
133 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
134 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
135 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
136 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
137 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
138 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
139 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
140 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
141 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
142 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
143 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
144 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
145 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
146 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
147 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
148 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
149 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
150 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
151 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
152 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
153 1 . . . . . 2.5 1.8 2.7 parsed_1pmc 1
154 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
155 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
156 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
157 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
158 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
159 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
160 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 1
161 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
162 1 . . . . . 3.3 1.8 3.5 parsed_1pmc 1
163 1 . . . . . 4.8 1.8 5.0 parsed_1pmc 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 "** Sequential backbone - backbone NOEs **" 23 1 23 52 parsed_1pmc 1
2 "HN - HN" 48 1 48 16 parsed_1pmc 1
3 "** Sequential backbone - side chain NOEs **" 55 1 55 54 parsed_1pmc 1
4
;
** Long range backbone - backbone NOEs **
HA - HA
;
99 1 101 16 parsed_1pmc 1
5 "HN - HA" 108 1 108 16 parsed_1pmc 1
6 "HN - HN" 115 1 115 16 parsed_1pmc 1
7 "** Long range backbone - side chain NOEs **" 121 1 121 54 parsed_1pmc 1
8 "** Long range side chain - side chain NOEs **" 162 1 162 56 parsed_1pmc 1
9 "** NOEs between cysteines (disulfide bridges) **" 181 1 181 59 parsed_1pmc 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pmc
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
remarks H-bond information
;
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1pmc
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1pmc 2
2 1 . . . parsed_1pmc 2
3 1 . . . parsed_1pmc 2
4 1 . . . parsed_1pmc 2
5 1 . . . parsed_1pmc 2
6 1 . . . parsed_1pmc 2
7 1 . . . parsed_1pmc 2
8 1 . . . parsed_1pmc 2
9 1 . . . parsed_1pmc 2
10 1 . . . parsed_1pmc 2
11 1 . . . parsed_1pmc 2
12 1 . . . parsed_1pmc 2
13 1 . . . parsed_1pmc 2
14 1 . . . parsed_1pmc 2
15 1 . . . parsed_1pmc 2
16 1 . . . parsed_1pmc 2
17 1 . . . parsed_1pmc 2
18 1 . . . parsed_1pmc 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 . . . . . . . . . 5 . O parsed_1pmc 2
1 1 2 . . . . . . . . . 8 . N parsed_1pmc 2
2 1 1 . . . . . . . . . 5 . O parsed_1pmc 2
2 1 2 . . . . . . . . . 8 . HN parsed_1pmc 2
3 1 1 . . . . . . . . . 8 . O parsed_1pmc 2
3 1 2 . . . . . . . . . 19 . N parsed_1pmc 2
4 1 1 . . . . . . . . . 8 . O parsed_1pmc 2
4 1 2 . . . . . . . . . 19 . HN parsed_1pmc 2
5 1 1 . . . . . . . . . 10 . O parsed_1pmc 2
5 1 2 . . . . . . . . . 17 . N parsed_1pmc 2
6 1 1 . . . . . . . . . 10 . O parsed_1pmc 2
6 1 2 . . . . . . . . . 17 . HN parsed_1pmc 2
7 1 1 . . . . . . . . . 17 . O parsed_1pmc 2
7 1 2 . . . . . . . . . 10 . N parsed_1pmc 2
8 1 1 . . . . . . . . . 17 . O parsed_1pmc 2
8 1 2 . . . . . . . . . 10 . HN parsed_1pmc 2
9 1 1 . . . . . . . . . 16 . O parsed_1pmc 2
9 1 2 . . . . . . . . . 29 . N parsed_1pmc 2
10 1 1 . . . . . . . . . 16 . O parsed_1pmc 2
10 1 2 . . . . . . . . . 29 . HN parsed_1pmc 2
11 1 1 . . . . . . . . . 29 . O parsed_1pmc 2
11 1 2 . . . . . . . . . 16 . N parsed_1pmc 2
12 1 1 . . . . . . . . . 29 . O parsed_1pmc 2
12 1 2 . . . . . . . . . 16 . HN parsed_1pmc 2
13 1 1 . . . . . . . . . 18 . O parsed_1pmc 2
13 1 2 . . . . . . . . . 27 . N parsed_1pmc 2
14 1 1 . . . . . . . . . 18 . O parsed_1pmc 2
14 1 2 . . . . . . . . . 27 . HN parsed_1pmc 2
15 1 1 . . . . . . . . . 27 . O parsed_1pmc 2
15 1 2 . . . . . . . . . 18 . N parsed_1pmc 2
16 1 1 . . . . . . . . . 27 . O parsed_1pmc 2
16 1 2 . . . . . . . . . 18 . HN parsed_1pmc 2
17 1 1 . . . . . . . . . 25 . O parsed_1pmc 2
17 1 2 . . . . . . . . . 20 . N parsed_1pmc 2
18 1 1 . . . . . . . . . 25 . O parsed_1pmc 2
18 1 2 . . . . . . . . . 20 . HN parsed_1pmc 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
2 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
3 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
4 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
5 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
6 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
7 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
8 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
9 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
10 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
11 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
12 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
13 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
14 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
15 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
16 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
17 1 . . . . . 3.0 1.8 3.3 parsed_1pmc 2
18 1 . . . . . 2.0 1.8 2.3 parsed_1pmc 2
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pmc
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
remarks Angle information
;
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1pmc
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1pmc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -60.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1pmc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 110.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1pmc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -25.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1pmc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1pmc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1pmc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1pmc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1pmc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1pmc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1pmc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1pmc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1pmc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1pmc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1pmc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1pmc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1pmc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1pmc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1pmc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1pmc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -60.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1pmc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.0 -55.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1pmc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 14 . n . 14 . ca . 14 . cb . 14 . sg parsed_1pmc 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 25 . n . 25 . ca . 25 . cb . 25 . og parsed_1pmc 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . n . 17 . ca . 17 . cb . 17 . sg parsed_1pmc 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . n . 33 . ca . 33 . cb . 33 . sg parsed_1pmc 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1pmc 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg parsed_1pmc 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . n . 30 . ca . 30 . cb . 30 . cg parsed_1pmc 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1pmc 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 28 . n . 28 . ca . 28 . cb . 28 . sg parsed_1pmc 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 29 . n . 29 . ca . 29 . cb . 29 . og1 parsed_1pmc 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 12 . n . 12 . ca . 12 . cb . 12 . cg parsed_1pmc 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1pmc 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 . n . 19 . ca . 19 . cb . 19 . sg parsed_1pmc 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 11 . n . 11 . ca . 11 . cb . 11 . cg parsed_1pmc 1
stop_
save_
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