NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
652758 |
6x8r   |
30758 | cing | 2-parsed | STAR | entry | full | 200 |
data_6x8r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6x8r
_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_6x8r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6x8r
_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 6x8r "Master copy" parsed_6x8r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6x8r
_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 6x8r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6x8r 1
1 6x8r.mr . . XPLOR/CNS 2 distance NOE simple 166 parsed_6x8r 1
1 6x8r.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_6x8r 1
1 6x8r.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 6 parsed_6x8r 1
1 6x8r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6x8r 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_6x8r
_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 TOXIN 01-JUN-20 6X8R
*TITLE PHARMACOLOGICAL CHARACTERISATION AND NMR STRUCTURE OF THE NOVEL MU-
*TITLE 2 CONOTOXIN SXIIIC, A POTENT IRREVERSIBLE NAV CHANNEL INHIBITOR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SXIIIC PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS STRIOLATUS;
*SOURCE 4 ORGANISM_TAXID: 101315
*KEYWDS SODIUM CHANNELS, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR C.I.SCHROEDER,K.L.MCMAHON
*REVDAT 1 21-OCT-20 6X8R 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6x8r
_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_6x8r 1
2 1 . . . parsed_6x8r 1
3 1 . . . parsed_6x8r 1
4 1 . . . parsed_6x8r 1
5 1 . . . parsed_6x8r 1
6 1 . . . parsed_6x8r 1
7 1 . . . parsed_6x8r 1
8 1 . . . parsed_6x8r 1
9 1 . . . parsed_6x8r 1
10 1 . . . parsed_6x8r 1
11 1 . . . parsed_6x8r 1
12 1 . . . parsed_6x8r 1
13 1 . . . parsed_6x8r 1
14 1 . . . parsed_6x8r 1
15 1 . . . parsed_6x8r 1
16 1 . . . parsed_6x8r 1
17 1 . . . parsed_6x8r 1
18 1 . . . parsed_6x8r 1
19 1 . . . parsed_6x8r 1
20 1 . . . parsed_6x8r 1
21 1 . . . parsed_6x8r 1
22 1 . . . parsed_6x8r 1
23 1 . . . parsed_6x8r 1
24 1 . . . parsed_6x8r 1
25 1 . . . parsed_6x8r 1
26 1 . . . parsed_6x8r 1
27 1 . . . parsed_6x8r 1
28 1 . . . parsed_6x8r 1
29 1 . . . parsed_6x8r 1
30 1 . . . parsed_6x8r 1
31 1 . . . parsed_6x8r 1
32 1 . . . parsed_6x8r 1
33 1 . . . parsed_6x8r 1
34 1 . . . parsed_6x8r 1
35 1 . . . parsed_6x8r 1
36 1 . . . parsed_6x8r 1
37 1 . . . parsed_6x8r 1
38 1 . . . parsed_6x8r 1
39 1 . . . parsed_6x8r 1
40 1 . . . parsed_6x8r 1
41 1 . . . parsed_6x8r 1
42 1 . . . parsed_6x8r 1
43 1 . . . parsed_6x8r 1
44 1 . . . parsed_6x8r 1
45 1 . . . parsed_6x8r 1
46 1 . . . parsed_6x8r 1
47 1 . . . parsed_6x8r 1
48 1 . . . parsed_6x8r 1
49 1 . . . parsed_6x8r 1
50 1 . . . parsed_6x8r 1
51 1 . . . parsed_6x8r 1
52 1 . . . parsed_6x8r 1
53 1 . . . parsed_6x8r 1
54 1 . . . parsed_6x8r 1
55 1 . . . parsed_6x8r 1
56 1 . . . parsed_6x8r 1
57 1 . . . parsed_6x8r 1
58 1 . . . parsed_6x8r 1
59 1 . . . parsed_6x8r 1
60 1 . . . parsed_6x8r 1
61 1 . . . parsed_6x8r 1
62 1 . . . parsed_6x8r 1
63 1 . . . parsed_6x8r 1
64 1 . . . parsed_6x8r 1
65 1 . . . parsed_6x8r 1
66 1 . . . parsed_6x8r 1
67 1 . . . parsed_6x8r 1
68 1 . . . parsed_6x8r 1
69 1 . . . parsed_6x8r 1
70 1 . . . parsed_6x8r 1
71 1 . . . parsed_6x8r 1
72 1 . . . parsed_6x8r 1
73 1 . . . parsed_6x8r 1
74 1 . . . parsed_6x8r 1
75 1 . . . parsed_6x8r 1
76 1 . . . parsed_6x8r 1
77 1 . . . parsed_6x8r 1
78 1 . . . parsed_6x8r 1
79 1 . . . parsed_6x8r 1
80 1 . . . parsed_6x8r 1
81 1 . . . parsed_6x8r 1
82 1 . . . parsed_6x8r 1
83 1 . . . parsed_6x8r 1
84 1 . . . parsed_6x8r 1
85 1 . . . parsed_6x8r 1
86 1 . . . parsed_6x8r 1
87 1 . . . parsed_6x8r 1
88 1 . . . parsed_6x8r 1
89 1 . . . parsed_6x8r 1
90 1 . . . parsed_6x8r 1
91 1 . . . parsed_6x8r 1
92 1 . . . parsed_6x8r 1
93 1 . . . parsed_6x8r 1
94 1 . . . parsed_6x8r 1
95 1 . . . parsed_6x8r 1
96 1 . . . parsed_6x8r 1
97 1 . . . parsed_6x8r 1
98 1 . . . parsed_6x8r 1
99 1 . . . parsed_6x8r 1
100 1 . . . parsed_6x8r 1
101 1 . . . parsed_6x8r 1
102 1 . . . parsed_6x8r 1
103 1 . . . parsed_6x8r 1
104 1 . . . parsed_6x8r 1
105 1 . . . parsed_6x8r 1
106 1 . . . parsed_6x8r 1
107 1 . . . parsed_6x8r 1
108 1 . . . parsed_6x8r 1
109 1 . . . parsed_6x8r 1
110 1 . . . parsed_6x8r 1
111 1 . . . parsed_6x8r 1
112 1 . . . parsed_6x8r 1
113 1 . . . parsed_6x8r 1
114 1 . . . parsed_6x8r 1
115 1 . . . parsed_6x8r 1
116 1 . . . parsed_6x8r 1
117 1 . . . parsed_6x8r 1
118 1 . . . parsed_6x8r 1
119 1 . . . parsed_6x8r 1
120 1 . . . parsed_6x8r 1
121 1 . . . parsed_6x8r 1
122 1 . . . parsed_6x8r 1
123 1 . . . parsed_6x8r 1
124 1 . . . parsed_6x8r 1
125 1 . . . parsed_6x8r 1
126 1 . . . parsed_6x8r 1
127 1 . . . parsed_6x8r 1
128 1 . . . parsed_6x8r 1
129 1 . . . parsed_6x8r 1
130 1 . . . parsed_6x8r 1
131 1 . . . parsed_6x8r 1
132 1 . . . parsed_6x8r 1
133 1 . . . parsed_6x8r 1
134 1 . . . parsed_6x8r 1
135 1 . . . parsed_6x8r 1
136 1 . . . parsed_6x8r 1
137 1 . . . parsed_6x8r 1
138 1 . . . parsed_6x8r 1
139 1 . . . parsed_6x8r 1
140 1 . . . parsed_6x8r 1
141 1 . . . parsed_6x8r 1
142 1 . . . parsed_6x8r 1
143 1 . . . parsed_6x8r 1
144 1 . . . parsed_6x8r 1
145 1 . . . parsed_6x8r 1
146 1 . . . parsed_6x8r 1
147 1 . . . parsed_6x8r 1
148 1 . . . parsed_6x8r 1
149 1 . . . parsed_6x8r 1
150 1 . . . parsed_6x8r 1
151 1 . . . parsed_6x8r 1
152 1 . . . parsed_6x8r 1
153 1 . . . parsed_6x8r 1
154 1 . . . parsed_6x8r 1
155 1 . . . parsed_6x8r 1
156 1 . . . parsed_6x8r 1
157 1 . . . parsed_6x8r 1
158 1 . . . parsed_6x8r 1
159 1 . . . parsed_6x8r 1
160 1 . . . parsed_6x8r 1
161 1 . . . parsed_6x8r 1
162 1 . . . parsed_6x8r 1
163 1 . . . parsed_6x8r 1
164 1 . . . parsed_6x8r 1
165 1 . . . parsed_6x8r 1
166 1 . . . parsed_6x8r 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 2 . HA2 parsed_6x8r 1
1 1 2 . . . . . . . . . 3 . HN parsed_6x8r 1
2 1 1 . . . . . . . . . 2 . HA1 parsed_6x8r 1
2 1 2 . . . . . . . . . 3 . HN parsed_6x8r 1
3 1 1 . . . . . . . . . 2 . HN parsed_6x8r 1
3 1 2 . . . . . . . . . 3 . HN parsed_6x8r 1
4 1 1 . . . . . . . . . 3 . HN parsed_6x8r 1
4 1 2 . . . . . . . . . 4 . HN parsed_6x8r 1
5 1 1 . . . . . . . . . 10 . HN parsed_6x8r 1
5 1 2 . . . . . . . . . 11 . HN parsed_6x8r 1
6 1 1 . . . . . . . . . 4 . HA parsed_6x8r 1
6 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
7 1 1 . . . . . . . . . 4 . HB1 parsed_6x8r 1
7 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
8 1 1 . . . . . . . . . 4 . HB2 parsed_6x8r 1
8 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
9 1 1 . . . . . . . . . 4 . HN parsed_6x8r 1
9 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
10 1 1 . . . . . . . . . 6 . HN parsed_6x8r 1
10 1 2 . . . . . . . . . 7 . HN parsed_6x8r 1
11 1 1 . . . . . . . . . 7 . HB2 parsed_6x8r 1
11 1 2 . . . . . . . . . 8 . HN parsed_6x8r 1
12 1 1 . . . . . . . . . 7 . HB1 parsed_6x8r 1
12 1 2 . . . . . . . . . 8 . HN parsed_6x8r 1
13 1 1 . . . . . . . . . 7 . HA parsed_6x8r 1
13 1 2 . . . . . . . . . 8 . HN parsed_6x8r 1
14 1 1 . . . . . . . . . 9 . HA2 parsed_6x8r 1
14 1 2 . . . . . . . . . 10 . HN parsed_6x8r 1
15 1 1 . . . . . . . . . 9 . HA1 parsed_6x8r 1
15 1 2 . . . . . . . . . 10 . HN parsed_6x8r 1
16 1 1 . . . . . . . . . 10 . HA parsed_6x8r 1
16 1 2 . . . . . . . . . 11 . HN parsed_6x8r 1
17 1 1 . . . . . . . . . 10 . HB1 parsed_6x8r 1
17 1 2 . . . . . . . . . 11 . HN parsed_6x8r 1
18 1 1 . . . . . . . . . 10 . HB2 parsed_6x8r 1
18 1 2 . . . . . . . . . 11 . HN parsed_6x8r 1
19 1 1 . . . . . . . . . 12 . HA parsed_6x8r 1
19 1 2 . . . . . . . . . 13 . HN parsed_6x8r 1
20 1 1 . . . . . . . . . 13 . HB# parsed_6x8r 1
20 1 2 . . . . . . . . . 14 . HN parsed_6x8r 1
21 1 1 . . . . . . . . . 13 . HN parsed_6x8r 1
21 1 2 . . . . . . . . . 14 . HN parsed_6x8r 1
22 1 1 . . . . . . . . . 14 . HN parsed_6x8r 1
22 1 2 . . . . . . . . . 15 . HN parsed_6x8r 1
23 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
23 1 2 . . . . . . . . . 15 . HN parsed_6x8r 1
24 1 1 . . . . . . . . . 15 . HN parsed_6x8r 1
24 1 2 . . . . . . . . . 16 . HN parsed_6x8r 1
25 1 1 . . . . . . . . . 17 . HB1 parsed_6x8r 1
25 1 2 . . . . . . . . . 18 . HN parsed_6x8r 1
26 1 1 . . . . . . . . . 17 . HB2 parsed_6x8r 1
26 1 2 . . . . . . . . . 18 . HN parsed_6x8r 1
27 1 1 . . . . . . . . . 17 . HN parsed_6x8r 1
27 1 2 . . . . . . . . . 18 . HN parsed_6x8r 1
28 1 1 . . . . . . . . . 18 . HA parsed_6x8r 1
28 1 2 . . . . . . . . . 19 . HN parsed_6x8r 1
29 1 1 . . . . . . . . . 18 . HN parsed_6x8r 1
29 1 2 . . . . . . . . . 19 . HN parsed_6x8r 1
30 1 1 . . . . . . . . . 20 . HB# parsed_6x8r 1
30 1 2 . . . . . . . . . 21 . HN parsed_6x8r 1
31 1 1 . . . . . . . . . 19 . HN parsed_6x8r 1
31 1 2 . . . . . . . . . 20 . HN parsed_6x8r 1
32 1 1 . . . . . . . . . 21 . HN parsed_6x8r 1
32 1 2 . . . . . . . . . 22 . HN parsed_6x8r 1
33 1 1 . . . . . . . . . 20 . HN parsed_6x8r 1
33 1 2 . . . . . . . . . 20 . HB# parsed_6x8r 1
34 1 1 . . . . . . . . . 13 . HN parsed_6x8r 1
34 1 2 . . . . . . . . . 13 . HB# parsed_6x8r 1
35 1 1 . . . . . . . . . 14 . HN parsed_6x8r 1
35 1 2 . . . . . . . . . 14 . HB1 parsed_6x8r 1
36 1 1 . . . . . . . . . 14 . HN parsed_6x8r 1
36 1 2 . . . . . . . . . 14 . HB2 parsed_6x8r 1
37 1 1 . . . . . . . . . 14 . HN parsed_6x8r 1
37 1 2 . . . . . . . . . 14 . HA parsed_6x8r 1
38 1 1 . . . . . . . . . 7 . HN parsed_6x8r 1
38 1 2 . . . . . . . . . 7 . HB1 parsed_6x8r 1
39 1 1 . . . . . . . . . 7 . HN parsed_6x8r 1
39 1 2 . . . . . . . . . 7 . HB2 parsed_6x8r 1
40 1 1 . . . . . . . . . 2 . HN parsed_6x8r 1
40 1 2 . . . . . . . . . 2 . HA2 parsed_6x8r 1
41 1 1 . . . . . . . . . 2 . HN parsed_6x8r 1
41 1 2 . . . . . . . . . 2 . HA1 parsed_6x8r 1
42 1 1 . . . . . . . . . 5 . HN parsed_6x8r 1
42 1 2 . . . . . . . . . 5 . HB1 parsed_6x8r 1
43 1 1 . . . . . . . . . 5 . HN parsed_6x8r 1
43 1 2 . . . . . . . . . 5 . HB2 parsed_6x8r 1
44 1 1 . . . . . . . . . 11 . HN parsed_6x8r 1
44 1 2 . . . . . . . . . 11 . HB1 parsed_6x8r 1
45 1 1 . . . . . . . . . 11 . HN parsed_6x8r 1
45 1 2 . . . . . . . . . 11 . HB2 parsed_6x8r 1
46 1 1 . . . . . . . . . 12 . HN parsed_6x8r 1
46 1 2 . . . . . . . . . 12 . HB1 parsed_6x8r 1
47 1 1 . . . . . . . . . 12 . HN parsed_6x8r 1
47 1 2 . . . . . . . . . 12 . HB2 parsed_6x8r 1
48 1 1 . . . . . . . . . 15 . HN parsed_6x8r 1
48 1 2 . . . . . . . . . 15 . HB2 parsed_6x8r 1
49 1 1 . . . . . . . . . 15 . HN parsed_6x8r 1
49 1 2 . . . . . . . . . 15 . HB1 parsed_6x8r 1
50 1 1 . . . . . . . . . 17 . HN parsed_6x8r 1
50 1 2 . . . . . . . . . 17 . HB1 parsed_6x8r 1
51 1 1 . . . . . . . . . 17 . HN parsed_6x8r 1
51 1 2 . . . . . . . . . 17 . HB2 parsed_6x8r 1
52 1 1 . . . . . . . . . 22 . HN parsed_6x8r 1
52 1 2 . . . . . . . . . 22 . HB1 parsed_6x8r 1
53 1 1 . . . . . . . . . 22 . HN parsed_6x8r 1
53 1 2 . . . . . . . . . 22 . HB2 parsed_6x8r 1
54 1 1 . . . . . . . . . 18 . HN parsed_6x8r 1
54 1 2 . . . . . . . . . 18 . HB1 parsed_6x8r 1
55 1 1 . . . . . . . . . 18 . HN parsed_6x8r 1
55 1 2 . . . . . . . . . 18 . HB2 parsed_6x8r 1
56 1 1 . . . . . . . . . 2 . HA2 parsed_6x8r 1
56 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
57 1 1 . . . . . . . . . 2 . HA1 parsed_6x8r 1
57 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
58 1 1 . . . . . . . . . 5 . HN parsed_6x8r 1
58 1 2 . . . . . . . . . 6 . HN parsed_6x8r 1
59 1 1 . . . . . . . . . 13 . HA parsed_6x8r 1
59 1 2 . . . . . . . . . 16 . HN parsed_6x8r 1
60 1 1 . . . . . . . . . 13 . HA parsed_6x8r 1
60 1 2 . . . . . . . . . 17 . HN parsed_6x8r 1
61 1 1 . . . . . . . . . 2 . HN parsed_6x8r 1
61 1 2 . . . . . . . . . 7 . HA parsed_6x8r 1
62 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
62 1 2 . . . . . . . . . 17 . HB2 parsed_6x8r 1
63 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
63 1 2 . . . . . . . . . 17 . HB1 parsed_6x8r 1
64 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
64 1 2 . . . . . . . . . 14 . HD1 parsed_6x8r 1
65 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
65 1 2 . . . . . . . . . 14 . HE3 parsed_6x8r 1
66 1 1 . . . . . . . . . 16 . HG# parsed_6x8r 1
66 1 2 . . . . . . . . . 17 . HN parsed_6x8r 1
67 1 1 . . . . . . . . . 18 . HA parsed_6x8r 1
67 1 2 . . . . . . . . . 18 . HD2 parsed_6x8r 1
68 1 1 . . . . . . . . . 20 . HG1 parsed_6x8r 1
68 1 2 . . . . . . . . . 21 . HN parsed_6x8r 1
69 1 1 . . . . . . . . . 20 . HG2 parsed_6x8r 1
69 1 2 . . . . . . . . . 21 . HN parsed_6x8r 1
70 1 1 . . . . . . . . . 20 . HN parsed_6x8r 1
70 1 2 . . . . . . . . . 20 . HD# parsed_6x8r 1
71 1 1 . . . . . . . . . 13 . HN parsed_6x8r 1
71 1 2 . . . . . . . . . 13 . HD# parsed_6x8r 1
72 1 1 . . . . . . . . . 13 . HN parsed_6x8r 1
72 1 2 . . . . . . . . . 13 . HG2 parsed_6x8r 1
73 1 1 . . . . . . . . . 13 . HN parsed_6x8r 1
73 1 2 . . . . . . . . . 13 . HG1 parsed_6x8r 1
74 1 1 . . . . . . . . . 7 . HN parsed_6x8r 1
74 1 2 . . . . . . . . . 7 . HG1 parsed_6x8r 1
75 1 1 . . . . . . . . . 7 . HN parsed_6x8r 1
75 1 2 . . . . . . . . . 7 . HG2 parsed_6x8r 1
76 1 1 . . . . . . . . . 16 . HN parsed_6x8r 1
76 1 2 . . . . . . . . . 16 . HG# parsed_6x8r 1
77 1 1 . . . . . . . . . 17 . HB1 parsed_6x8r 1
77 1 2 . . . . . . . . . 18 . HE1 parsed_6x8r 1
78 1 1 . . . . . . . . . 17 . HB2 parsed_6x8r 1
78 1 2 . . . . . . . . . 18 . HE1 parsed_6x8r 1
79 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
79 1 2 . . . . . . . . . 18 . HE1 parsed_6x8r 1
80 1 1 . . . . . . . . . 14 . HZ2 parsed_6x8r 1
80 1 2 . . . . . . . . . 18 . HB1 parsed_6x8r 1
81 1 1 . . . . . . . . . 14 . HH2 parsed_6x8r 1
81 1 2 . . . . . . . . . 18 . HB1 parsed_6x8r 1
82 1 1 . . . . . . . . . 14 . HZ2 parsed_6x8r 1
82 1 2 . . . . . . . . . 18 . HB2 parsed_6x8r 1
83 1 1 . . . . . . . . . 14 . HH2 parsed_6x8r 1
83 1 2 . . . . . . . . . 18 . HB2 parsed_6x8r 1
84 1 1 . . . . . . . . . 14 . HE3 parsed_6x8r 1
84 1 2 . . . . . . . . . 15 . HA parsed_6x8r 1
85 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
85 1 2 . . . . . . . . . 18 . HD2 parsed_6x8r 1
86 1 1 . . . . . . . . . 14 . HD1 parsed_6x8r 1
86 1 2 . . . . . . . . . 18 . HD2 parsed_6x8r 1
87 1 1 . . . . . . . . . 18 . HN parsed_6x8r 1
87 1 2 . . . . . . . . . 18 . HD2 parsed_6x8r 1
88 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
88 1 2 . . . . . . . . . 18 . HD1 parsed_6x8r 1
89 1 1 . . . . . . . . . 1 . HB# parsed_6x8r 1
89 1 2 . . . . . . . . . 19 . HA parsed_6x8r 1
90 1 1 . . . . . . . . . 1 . HA parsed_6x8r 1
90 1 2 . . . . . . . . . 1 . HE parsed_6x8r 1
91 1 1 . . . . . . . . . 1 . HB# parsed_6x8r 1
91 1 2 . . . . . . . . . 1 . HE parsed_6x8r 1
92 1 1 . . . . . . . . . 1 . HA parsed_6x8r 1
92 1 2 . . . . . . . . . 1 . HD# parsed_6x8r 1
93 1 1 . . . . . . . . . 7 . HA parsed_6x8r 1
93 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
94 1 1 . . . . . . . . . 7 . HG1 parsed_6x8r 1
94 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
95 1 1 . . . . . . . . . 7 . HG2 parsed_6x8r 1
95 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
96 1 1 . . . . . . . . . 7 . HB1 parsed_6x8r 1
96 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
97 1 1 . . . . . . . . . 7 . HB2 parsed_6x8r 1
97 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
98 1 1 . . . . . . . . . 13 . HA parsed_6x8r 1
98 1 2 . . . . . . . . . 13 . HE parsed_6x8r 1
99 1 1 . . . . . . . . . 13 . HB# parsed_6x8r 1
99 1 2 . . . . . . . . . 13 . HE parsed_6x8r 1
100 1 1 . . . . . . . . . 13 . HG2 parsed_6x8r 1
100 1 2 . . . . . . . . . 13 . HE parsed_6x8r 1
101 1 1 . . . . . . . . . 13 . HG1 parsed_6x8r 1
101 1 2 . . . . . . . . . 13 . HE parsed_6x8r 1
102 1 1 . . . . . . . . . 16 . HA parsed_6x8r 1
102 1 2 . . . . . . . . . 16 . HE parsed_6x8r 1
103 1 1 . . . . . . . . . 16 . HA parsed_6x8r 1
103 1 2 . . . . . . . . . 16 . HD# parsed_6x8r 1
104 1 1 . . . . . . . . . 13 . HA parsed_6x8r 1
104 1 2 . . . . . . . . . 13 . HD# parsed_6x8r 1
105 1 1 . . . . . . . . . 20 . HA parsed_6x8r 1
105 1 2 . . . . . . . . . 20 . HE parsed_6x8r 1
106 1 1 . . . . . . . . . 20 . HB# parsed_6x8r 1
106 1 2 . . . . . . . . . 20 . HE parsed_6x8r 1
107 1 1 . . . . . . . . . 20 . HG2 parsed_6x8r 1
107 1 2 . . . . . . . . . 20 . HE parsed_6x8r 1
108 1 1 . . . . . . . . . 20 . HG1 parsed_6x8r 1
108 1 2 . . . . . . . . . 20 . HE parsed_6x8r 1
109 1 1 . . . . . . . . . 20 . HA parsed_6x8r 1
109 1 2 . . . . . . . . . 20 . HD# parsed_6x8r 1
110 1 1 . . . . . . . . . 19 . HB# parsed_6x8r 1
110 1 2 . . . . . . . . . 20 . HN parsed_6x8r 1
111 1 1 . . . . . . . . . 19 . HN parsed_6x8r 1
111 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
112 1 1 . . . . . . . . . 19 . HB# parsed_6x8r 1
112 1 2 . . . . . . . . . 22 . HN parsed_6x8r 1
113 1 1 . . . . . . . . . 18 . HN parsed_6x8r 1
113 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
114 1 1 . . . . . . . . . 14 . HE3 parsed_6x8r 1
114 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
115 1 1 . . . . . . . . . 15 . HA parsed_6x8r 1
115 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
116 1 1 . . . . . . . . . 3 . HB2 parsed_6x8r 1
116 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
117 1 1 . . . . . . . . . 3 . HB1 parsed_6x8r 1
117 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
118 1 1 . . . . . . . . . 2 . HA# parsed_6x8r 1
118 1 2 . . . . . . . . . 3 . HN parsed_6x8r 1
119 1 1 . . . . . . . . . 2 . HA# parsed_6x8r 1
119 1 2 . . . . . . . . . 4 . HN parsed_6x8r 1
120 1 1 . . . . . . . . . 2 . HA# parsed_6x8r 1
120 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
121 1 1 . . . . . . . . . 2 . HA# parsed_6x8r 1
121 1 2 . . . . . . . . . 5 . HA parsed_6x8r 1
122 1 1 . . . . . . . . . 3 . HN parsed_6x8r 1
122 1 2 . . . . . . . . . 3 . HB# parsed_6x8r 1
123 1 1 . . . . . . . . . 3 . HB# parsed_6x8r 1
123 1 2 . . . . . . . . . 4 . HN parsed_6x8r 1
124 1 1 . . . . . . . . . 3 . HB# parsed_6x8r 1
124 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
125 1 1 . . . . . . . . . 4 . HN parsed_6x8r 1
125 1 2 . . . . . . . . . 4 . HB# parsed_6x8r 1
126 1 1 . . . . . . . . . 4 . HB# parsed_6x8r 1
126 1 2 . . . . . . . . . 5 . HN parsed_6x8r 1
127 1 1 . . . . . . . . . 5 . HB# parsed_6x8r 1
127 1 2 . . . . . . . . . 6 . HN parsed_6x8r 1
128 1 1 . . . . . . . . . 6 . HA# parsed_6x8r 1
128 1 2 . . . . . . . . . 7 . HN parsed_6x8r 1
129 1 1 . . . . . . . . . 7 . HN parsed_6x8r 1
129 1 2 . . . . . . . . . 7 . HB# parsed_6x8r 1
130 1 1 . . . . . . . . . 7 . HN parsed_6x8r 1
130 1 2 . . . . . . . . . 7 . HG# parsed_6x8r 1
131 1 1 . . . . . . . . . 7 . HB# parsed_6x8r 1
131 1 2 . . . . . . . . . 7 . HG# parsed_6x8r 1
132 1 1 . . . . . . . . . 7 . HB# parsed_6x8r 1
132 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
133 1 1 . . . . . . . . . 7 . HG# parsed_6x8r 1
133 1 2 . . . . . . . . . 7 . HE parsed_6x8r 1
134 1 1 . . . . . . . . . 7 . HG# parsed_6x8r 1
134 1 2 . . . . . . . . . 8 . HN parsed_6x8r 1
135 1 1 . . . . . . . . . 7 . HD# parsed_6x8r 1
135 1 2 . . . . . . . . . 14 . HD1 parsed_6x8r 1
136 1 1 . . . . . . . . . 10 . HN parsed_6x8r 1
136 1 2 . . . . . . . . . 10 . HB# parsed_6x8r 1
137 1 1 . . . . . . . . . 11 . HN parsed_6x8r 1
137 1 2 . . . . . . . . . 11 . HB# parsed_6x8r 1
138 1 1 . . . . . . . . . 12 . HN parsed_6x8r 1
138 1 2 . . . . . . . . . 12 . HB# parsed_6x8r 1
139 1 1 . . . . . . . . . 12 . HB# parsed_6x8r 1
139 1 2 . . . . . . . . . 13 . HN parsed_6x8r 1
140 1 1 . . . . . . . . . 13 . HN parsed_6x8r 1
140 1 2 . . . . . . . . . 13 . HG# parsed_6x8r 1
141 1 1 . . . . . . . . . 13 . HA parsed_6x8r 1
141 1 2 . . . . . . . . . 16 . HB# parsed_6x8r 1
142 1 1 . . . . . . . . . 14 . HN parsed_6x8r 1
142 1 2 . . . . . . . . . 14 . HB# parsed_6x8r 1
143 1 1 . . . . . . . . . 14 . HA parsed_6x8r 1
143 1 2 . . . . . . . . . 17 . HB# parsed_6x8r 1
144 1 1 . . . . . . . . . 14 . HB# parsed_6x8r 1
144 1 2 . . . . . . . . . 14 . HD1 parsed_6x8r 1
145 1 1 . . . . . . . . . 14 . HB# parsed_6x8r 1
145 1 2 . . . . . . . . . 14 . HE3 parsed_6x8r 1
146 1 1 . . . . . . . . . 14 . HB# parsed_6x8r 1
146 1 2 . . . . . . . . . 15 . HN parsed_6x8r 1
147 1 1 . . . . . . . . . 14 . HE3 parsed_6x8r 1
147 1 2 . . . . . . . . . 18 . HB# parsed_6x8r 1
148 1 1 . . . . . . . . . 15 . HN parsed_6x8r 1
148 1 2 . . . . . . . . . 15 . HB# parsed_6x8r 1
149 1 1 . . . . . . . . . 15 . HB# parsed_6x8r 1
149 1 2 . . . . . . . . . 16 . HN parsed_6x8r 1
150 1 1 . . . . . . . . . 15 . HB# parsed_6x8r 1
150 1 2 . . . . . . . . . 19 . HA parsed_6x8r 1
151 1 1 . . . . . . . . . 15 . HB# parsed_6x8r 1
151 1 2 . . . . . . . . . 19 . HB# parsed_6x8r 1
152 1 1 . . . . . . . . . 16 . HN parsed_6x8r 1
152 1 2 . . . . . . . . . 16 . HB# parsed_6x8r 1
153 1 1 . . . . . . . . . 16 . HB# parsed_6x8r 1
153 1 2 . . . . . . . . . 16 . HD# parsed_6x8r 1
154 1 1 . . . . . . . . . 16 . HB# parsed_6x8r 1
154 1 2 . . . . . . . . . 16 . HE parsed_6x8r 1
155 1 1 . . . . . . . . . 16 . HB# parsed_6x8r 1
155 1 2 . . . . . . . . . 17 . HN parsed_6x8r 1
156 1 1 . . . . . . . . . 17 . HN parsed_6x8r 1
156 1 2 . . . . . . . . . 17 . HB# parsed_6x8r 1
157 1 1 . . . . . . . . . 17 . HB# parsed_6x8r 1
157 1 2 . . . . . . . . . 18 . HN parsed_6x8r 1
158 1 1 . . . . . . . . . 17 . HB# parsed_6x8r 1
158 1 2 . . . . . . . . . 18 . HD1 parsed_6x8r 1
159 1 1 . . . . . . . . . 17 . HB# parsed_6x8r 1
159 1 2 . . . . . . . . . 18 . HD2 parsed_6x8r 1
160 1 1 . . . . . . . . . 18 . HN parsed_6x8r 1
160 1 2 . . . . . . . . . 18 . HB# parsed_6x8r 1
161 1 1 . . . . . . . . . 18 . HB# parsed_6x8r 1
161 1 2 . . . . . . . . . 19 . HN parsed_6x8r 1
162 1 1 . . . . . . . . . 20 . HG# parsed_6x8r 1
162 1 2 . . . . . . . . . 21 . HN parsed_6x8r 1
163 1 1 . . . . . . . . . 21 . HN parsed_6x8r 1
163 1 2 . . . . . . . . . 21 . HB# parsed_6x8r 1
164 1 1 . . . . . . . . . 21 . HB# parsed_6x8r 1
164 1 2 . . . . . . . . . 22 . HN parsed_6x8r 1
165 1 1 . . . . . . . . . 21 . HB# parsed_6x8r 1
165 1 2 . . . . . . . . . 22 . HB# parsed_6x8r 1
166 1 1 . . . . . . . . . 22 . HN parsed_6x8r 1
166 1 2 . . . . . . . . . 22 . HB# parsed_6x8r 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 . . . . . 3.36 0.00 3.36 parsed_6x8r 1
2 1 . . . . . 3.36 0.00 3.36 parsed_6x8r 1
3 1 . . . . . 3.36 0.00 3.36 parsed_6x8r 1
4 1 . . . . . 3.45 0.00 3.45 parsed_6x8r 1
5 1 . . . . . 3.08 0.00 3.08 parsed_6x8r 1
6 1 . . . . . 3.42 0.00 3.42 parsed_6x8r 1
7 1 . . . . . 3.98 0.00 3.98 parsed_6x8r 1
8 1 . . . . . 3.98 0.00 3.98 parsed_6x8r 1
9 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
10 1 . . . . . 4.60 0.00 4.60 parsed_6x8r 1
11 1 . . . . . 3.98 0.00 3.98 parsed_6x8r 1
12 1 . . . . . 3.98 0.00 3.98 parsed_6x8r 1
13 1 . . . . . 2.96 0.00 2.96 parsed_6x8r 1
14 1 . . . . . 2.99 0.00 2.99 parsed_6x8r 1
15 1 . . . . . 2.99 0.00 2.99 parsed_6x8r 1
16 1 . . . . . 3.36 0.00 3.36 parsed_6x8r 1
17 1 . . . . . 4.20 0.00 4.20 parsed_6x8r 1
18 1 . . . . . 4.20 0.00 4.20 parsed_6x8r 1
19 1 . . . . . 2.59 0.00 2.59 parsed_6x8r 1
20 1 . . . . . 4.30 0.00 4.30 parsed_6x8r 1
21 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
22 1 . . . . . 3.17 0.00 3.17 parsed_6x8r 1
23 1 . . . . . 3.42 0.00 3.42 parsed_6x8r 1
24 1 . . . . . 2.77 0.00 2.77 parsed_6x8r 1
25 1 . . . . . 3.92 0.00 3.92 parsed_6x8r 1
26 1 . . . . . 3.92 0.00 3.92 parsed_6x8r 1
27 1 . . . . . 3.02 0.00 3.02 parsed_6x8r 1
28 1 . . . . . 3.36 0.00 3.36 parsed_6x8r 1
29 1 . . . . . 2.77 0.00 2.77 parsed_6x8r 1
30 1 . . . . . 3.90 0.00 3.90 parsed_6x8r 1
31 1 . . . . . 4.48 0.00 4.48 parsed_6x8r 1
32 1 . . . . . 3.24 0.00 3.24 parsed_6x8r 1
33 1 . . . . . 4.05 0.00 4.05 parsed_6x8r 1
34 1 . . . . . 3.84 0.00 3.84 parsed_6x8r 1
35 1 . . . . . 2.96 0.00 2.96 parsed_6x8r 1
36 1 . . . . . 2.96 0.00 2.96 parsed_6x8r 1
37 1 . . . . . 2.87 0.00 2.87 parsed_6x8r 1
38 1 . . . . . 3.52 0.00 3.52 parsed_6x8r 1
39 1 . . . . . 3.52 0.00 3.52 parsed_6x8r 1
40 1 . . . . . 2.87 0.00 2.87 parsed_6x8r 1
41 1 . . . . . 2.87 0.00 2.87 parsed_6x8r 1
42 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
43 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
44 1 . . . . . 3.08 0.00 3.08 parsed_6x8r 1
45 1 . . . . . 3.08 0.00 3.08 parsed_6x8r 1
46 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
47 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
48 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
49 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
50 1 . . . . . 3.14 0.00 3.14 parsed_6x8r 1
51 1 . . . . . 3.14 0.00 3.14 parsed_6x8r 1
52 1 . . . . . 3.67 0.00 3.67 parsed_6x8r 1
53 1 . . . . . 3.67 0.00 3.67 parsed_6x8r 1
54 1 . . . . . 3.86 0.00 3.86 parsed_6x8r 1
55 1 . . . . . 3.86 0.00 3.86 parsed_6x8r 1
56 1 . . . . . 4.01 0.00 4.01 parsed_6x8r 1
57 1 . . . . . 4.01 0.00 4.01 parsed_6x8r 1
58 1 . . . . . 3.73 0.00 3.73 parsed_6x8r 1
59 1 . . . . . 3.73 0.00 3.73 parsed_6x8r 1
60 1 . . . . . 4.07 0.00 4.07 parsed_6x8r 1
61 1 . . . . . 4.48 0.00 4.48 parsed_6x8r 1
62 1 . . . . . 4.35 0.00 4.35 parsed_6x8r 1
63 1 . . . . . 4.35 0.00 4.35 parsed_6x8r 1
64 1 . . . . . 4.45 0.00 4.45 parsed_6x8r 1
65 1 . . . . . 5.19 0.00 5.19 parsed_6x8r 1
66 1 . . . . . 6.38 0.00 6.38 parsed_6x8r 1
67 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
68 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
69 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
70 1 . . . . . 6.38 0.00 6.38 parsed_6x8r 1
71 1 . . . . . 6.38 0.00 6.38 parsed_6x8r 1
72 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
73 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
74 1 . . . . . 5.22 0.00 5.22 parsed_6x8r 1
75 1 . . . . . 5.22 0.00 5.22 parsed_6x8r 1
76 1 . . . . . 5.51 0.00 5.51 parsed_6x8r 1
77 1 . . . . . 5.38 0.00 5.38 parsed_6x8r 1
78 1 . . . . . 5.38 0.00 5.38 parsed_6x8r 1
79 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
80 1 . . . . . 5.28 0.00 5.28 parsed_6x8r 1
81 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
82 1 . . . . . 5.28 0.00 5.28 parsed_6x8r 1
83 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
84 1 . . . . . 3.52 0.00 3.52 parsed_6x8r 1
85 1 . . . . . 3.55 0.00 3.55 parsed_6x8r 1
86 1 . . . . . 5.10 0.00 5.10 parsed_6x8r 1
87 1 . . . . . 5.31 0.00 5.31 parsed_6x8r 1
88 1 . . . . . 5.50 0.00 5.50 parsed_6x8r 1
89 1 . . . . . 6.38 0.00 6.38 parsed_6x8r 1
90 1 . . . . . 4.35 0.00 4.35 parsed_6x8r 1
91 1 . . . . . 4.58 0.00 4.58 parsed_6x8r 1
92 1 . . . . . 5.17 0.00 5.17 parsed_6x8r 1
93 1 . . . . . 4.76 0.00 4.76 parsed_6x8r 1
94 1 . . . . . 3.95 0.00 3.95 parsed_6x8r 1
95 1 . . . . . 3.95 0.00 3.95 parsed_6x8r 1
96 1 . . . . . 3.70 0.00 3.70 parsed_6x8r 1
97 1 . . . . . 3.70 0.00 3.70 parsed_6x8r 1
98 1 . . . . . 5.31 0.00 5.31 parsed_6x8r 1
99 1 . . . . . 5.33 0.00 5.33 parsed_6x8r 1
100 1 . . . . . 4.11 0.00 4.11 parsed_6x8r 1
101 1 . . . . . 4.11 0.00 4.11 parsed_6x8r 1
102 1 . . . . . 4.66 0.00 4.66 parsed_6x8r 1
103 1 . . . . . 5.36 0.00 5.36 parsed_6x8r 1
104 1 . . . . . 4.92 0.00 4.92 parsed_6x8r 1
105 1 . . . . . 4.60 0.00 4.60 parsed_6x8r 1
106 1 . . . . . 4.77 0.00 4.77 parsed_6x8r 1
107 1 . . . . . 3.61 0.00 3.61 parsed_6x8r 1
108 1 . . . . . 3.61 0.00 3.61 parsed_6x8r 1
109 1 . . . . . 4.96 0.00 4.96 parsed_6x8r 1
110 1 . . . . . 5.19 0.00 5.19 parsed_6x8r 1
111 1 . . . . . 4.07 0.00 4.07 parsed_6x8r 1
112 1 . . . . . 5.22 0.00 5.22 parsed_6x8r 1
113 1 . . . . . 6.52 0.00 6.52 parsed_6x8r 1
114 1 . . . . . 6.52 0.00 6.52 parsed_6x8r 1
115 1 . . . . . 5.09 0.00 5.09 parsed_6x8r 1
116 1 . . . . . 4.63 0.00 4.63 parsed_6x8r 1
117 1 . . . . . 4.63 0.00 4.63 parsed_6x8r 1
118 1 . . . . . 2.85 0.00 2.85 parsed_6x8r 1
119 1 . . . . . 3.62 0.00 3.62 parsed_6x8r 1
120 1 . . . . . 3.48 0.00 3.48 parsed_6x8r 1
121 1 . . . . . 4.15 0.00 4.15 parsed_6x8r 1
122 1 . . . . . 2.64 0.00 2.64 parsed_6x8r 1
123 1 . . . . . 3.41 0.00 3.41 parsed_6x8r 1
124 1 . . . . . 3.98 0.00 3.98 parsed_6x8r 1
125 1 . . . . . 2.90 0.00 2.90 parsed_6x8r 1
126 1 . . . . . 3.49 0.00 3.49 parsed_6x8r 1
127 1 . . . . . 3.94 0.00 3.94 parsed_6x8r 1
128 1 . . . . . 2.89 0.00 2.89 parsed_6x8r 1
129 1 . . . . . 2.95 0.00 2.95 parsed_6x8r 1
130 1 . . . . . 4.50 0.00 4.50 parsed_6x8r 1
131 1 . . . . . 2.00 0.00 2.00 parsed_6x8r 1
132 1 . . . . . 3.21 0.00 3.21 parsed_6x8r 1
133 1 . . . . . 3.29 0.00 3.29 parsed_6x8r 1
134 1 . . . . . 5.34 0.00 5.34 parsed_6x8r 1
135 1 . . . . . 4.27 0.00 4.27 parsed_6x8r 1
136 1 . . . . . 2.64 0.00 2.64 parsed_6x8r 1
137 1 . . . . . 2.69 0.00 2.69 parsed_6x8r 1
138 1 . . . . . 2.85 0.00 2.85 parsed_6x8r 1
139 1 . . . . . 3.14 0.00 3.14 parsed_6x8r 1
140 1 . . . . . 4.81 0.00 4.81 parsed_6x8r 1
141 1 . . . . . 3.26 0.00 3.26 parsed_6x8r 1
142 1 . . . . . 2.56 0.00 2.56 parsed_6x8r 1
143 1 . . . . . 3.72 0.00 3.72 parsed_6x8r 1
144 1 . . . . . 3.15 0.00 3.15 parsed_6x8r 1
145 1 . . . . . 3.50 0.00 3.50 parsed_6x8r 1
146 1 . . . . . 3.02 0.00 3.02 parsed_6x8r 1
147 1 . . . . . 5.34 0.00 5.34 parsed_6x8r 1
148 1 . . . . . 2.66 0.00 2.66 parsed_6x8r 1
149 1 . . . . . 2.83 0.00 2.83 parsed_6x8r 1
150 1 . . . . . 3.59 0.00 3.59 parsed_6x8r 1
151 1 . . . . . 5.51 0.00 5.51 parsed_6x8r 1
152 1 . . . . . 2.53 0.00 2.53 parsed_6x8r 1
153 1 . . . . . 3.62 0.00 3.62 parsed_6x8r 1
154 1 . . . . . 3.08 0.00 3.08 parsed_6x8r 1
155 1 . . . . . 3.05 0.00 3.05 parsed_6x8r 1
156 1 . . . . . 2.64 0.00 2.64 parsed_6x8r 1
157 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 1
158 1 . . . . . 5.34 0.00 5.34 parsed_6x8r 1
159 1 . . . . . 4.82 0.00 4.82 parsed_6x8r 1
160 1 . . . . . 3.01 0.00 3.01 parsed_6x8r 1
161 1 . . . . . 4.29 0.00 4.29 parsed_6x8r 1
162 1 . . . . . 4.84 0.00 4.84 parsed_6x8r 1
163 1 . . . . . 2.98 0.00 2.98 parsed_6x8r 1
164 1 . . . . . 3.28 0.00 3.28 parsed_6x8r 1
165 1 . . . . . 3.67 0.00 3.67 parsed_6x8r 1
166 1 . . . . . 2.82 0.00 2.82 parsed_6x8r 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
# Restraints file 1: restraints.tbl
#NOE restraints
;
1 1 2 15 parsed_6x8r 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6x8r
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.8 -50.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6x8r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.7 25.3 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6x8r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6x8r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.6 -65.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6x8r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 48.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6x8r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_6x8r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 150.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6x8r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6x8r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.5 -46.5 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6x8r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.6 174.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6x8r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6x8r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.2 -15.2 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6x8r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -32.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6x8r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.1 -25.1 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6x8r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6x8r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.8 -10.8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6x8r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_6x8r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.6 -43.6 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6x8r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 -17.8 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6x8r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.5 7.5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6x8r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.7 -57.7 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6x8r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.5 -43.3 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6x8r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.4 168.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6x8r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.9 -27.9 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6x8r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 2.2 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6x8r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_6x8r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 4 . CA . 4 . CB . 4 . SG . 21 . SG parsed_6x8r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . CA . 15 . CB . 15 . SG . 3 . SG parsed_6x8r 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "#Dihedral restraints" 1 1 1 20 parsed_6x8r 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6x8r
_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_6x8r 2
2 1 . . . parsed_6x8r 2
3 1 . . . parsed_6x8r 2
4 1 . . . parsed_6x8r 2
5 1 . . . parsed_6x8r 2
6 1 . . . parsed_6x8r 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 . . . . . . . . . 12 . O parsed_6x8r 2
1 1 2 . . . . . . . . . 16 . HN parsed_6x8r 2
2 1 1 . . . . . . . . . 12 . O parsed_6x8r 2
2 1 2 . . . . . . . . . 16 . N parsed_6x8r 2
3 1 1 . . . . . . . . . 13 . O parsed_6x8r 2
3 1 2 . . . . . . . . . 17 . HN parsed_6x8r 2
4 1 1 . . . . . . . . . 13 . O parsed_6x8r 2
4 1 2 . . . . . . . . . 17 . N parsed_6x8r 2
5 1 1 . . . . . . . . . 14 . O parsed_6x8r 2
5 1 2 . . . . . . . . . 18 . HN parsed_6x8r 2
6 1 1 . . . . . . . . . 14 . O parsed_6x8r 2
6 1 2 . . . . . . . . . 18 . N parsed_6x8r 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.30 0.00 2.30 parsed_6x8r 2
2 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 2
3 1 . . . . . 2.30 0.00 2.30 parsed_6x8r 2
4 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 2
5 1 . . . . . 2.30 0.00 2.30 parsed_6x8r 2
6 1 . . . . . 3.30 0.00 3.30 parsed_6x8r 2
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "#H-bond-restraints" 1 1 1 18 parsed_6x8r 2
stop_
save_
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