Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
583761 | 2mtt RC | 25186 | cing | 2-parsed | STAR | entry | full | 199 |
data_2mtt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mtt
_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_2mtt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mtt
_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 2mtt "Master copy" parsed_2mtt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mtt
_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 2mtt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mtt 1
1 2mtt.mr . . XPLOR/CNS 2 distance NOE simple 185 parsed_2mtt 1
1 2mtt.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_2mtt 1
1 2mtt.mr . . "MR format" 4 comment "Not applicable" "Not applicable" 0 parsed_2mtt 1
1 2mtt.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mtt 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_2mtt
_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 DE NOVO PROTEIN 31-AUG-14 2MTT
*TITLE NON-REDUCIBLE ANALOGUES OF ALPHA-CONOTOXIN RGIA: [3,12]-CIS DICARBA
*TITLE 2 RGIA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DICARBA ANALOGUES OF ALPHA-CONOTOXIN RGIA;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE 4 ORGANISM_TAXID: 32630
*KEYWDS DICARBA, RGIA, ALPHA-CONOTOXIN, NON-REDUCIBLE, DE NOVO PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR S.CHHABRA, S.D.ROBINSON, R.S.NORTON
*REVDAT 1 26-NOV-14 2MTT 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mtt
_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_2mtt 1
2 1 . . . parsed_2mtt 1
3 1 . . . parsed_2mtt 1
4 1 . . . parsed_2mtt 1
5 1 . . . parsed_2mtt 1
6 1 . . . parsed_2mtt 1
7 1 . . . parsed_2mtt 1
8 1 . . . parsed_2mtt 1
9 1 . . . parsed_2mtt 1
10 1 . . . parsed_2mtt 1
11 1 . . . parsed_2mtt 1
12 1 . . . parsed_2mtt 1
13 1 . . . parsed_2mtt 1
14 1 . . . parsed_2mtt 1
15 1 . . . parsed_2mtt 1
16 1 . . . parsed_2mtt 1
17 1 . . . parsed_2mtt 1
18 1 . . . parsed_2mtt 1
19 1 . . . parsed_2mtt 1
20 1 . . . parsed_2mtt 1
21 1 . . . parsed_2mtt 1
22 1 . . . parsed_2mtt 1
23 1 . . . parsed_2mtt 1
24 1 . . . parsed_2mtt 1
25 1 . . . parsed_2mtt 1
26 1 . . . parsed_2mtt 1
27 1 . . . parsed_2mtt 1
28 1 . . . parsed_2mtt 1
29 1 . . . parsed_2mtt 1
30 1 . . . parsed_2mtt 1
31 1 . . . parsed_2mtt 1
32 1 . . . parsed_2mtt 1
33 1 . . . parsed_2mtt 1
34 1 . . . parsed_2mtt 1
35 1 . . . parsed_2mtt 1
36 1 . . . parsed_2mtt 1
37 1 . . . parsed_2mtt 1
38 1 . . . parsed_2mtt 1
39 1 . . . parsed_2mtt 1
40 1 . . . parsed_2mtt 1
41 1 . . . parsed_2mtt 1
42 1 . . . parsed_2mtt 1
43 1 . . . parsed_2mtt 1
44 1 . . . parsed_2mtt 1
45 1 . . . parsed_2mtt 1
46 1 . . . parsed_2mtt 1
47 1 . . . parsed_2mtt 1
48 1 . . . parsed_2mtt 1
49 1 . . . parsed_2mtt 1
50 1 . . . parsed_2mtt 1
51 1 . . . parsed_2mtt 1
52 1 . . . parsed_2mtt 1
53 1 . . . parsed_2mtt 1
54 1 . . . parsed_2mtt 1
55 1 . . . parsed_2mtt 1
56 1 . . . parsed_2mtt 1
57 1 . . . parsed_2mtt 1
58 1 . . . parsed_2mtt 1
59 1 . . . parsed_2mtt 1
60 1 . . . parsed_2mtt 1
61 1 . . . parsed_2mtt 1
62 1 . . . parsed_2mtt 1
63 1 . . . parsed_2mtt 1
64 1 . . . parsed_2mtt 1
65 1 . . . parsed_2mtt 1
66 1 . . . parsed_2mtt 1
67 1 . . . parsed_2mtt 1
68 1 . . . parsed_2mtt 1
69 1 . . . parsed_2mtt 1
70 1 . . . parsed_2mtt 1
71 1 . . . parsed_2mtt 1
72 1 . . . parsed_2mtt 1
73 1 . . . parsed_2mtt 1
74 1 . . . parsed_2mtt 1
75 1 . . . parsed_2mtt 1
76 1 . . . parsed_2mtt 1
77 1 . . . parsed_2mtt 1
78 1 . . . parsed_2mtt 1
79 1 . . . parsed_2mtt 1
80 1 . . . parsed_2mtt 1
81 1 . . . parsed_2mtt 1
82 1 . . . parsed_2mtt 1
83 1 . . . parsed_2mtt 1
84 1 . . . parsed_2mtt 1
85 1 . . . parsed_2mtt 1
86 1 . . . parsed_2mtt 1
87 1 . . . parsed_2mtt 1
88 1 . . . parsed_2mtt 1
89 1 . . . parsed_2mtt 1
90 1 . . . parsed_2mtt 1
91 1 . . . parsed_2mtt 1
92 1 . . . parsed_2mtt 1
93 1 . . . parsed_2mtt 1
94 1 . . . parsed_2mtt 1
95 1 . . . parsed_2mtt 1
96 1 . . . parsed_2mtt 1
97 1 . . . parsed_2mtt 1
98 1 . . . parsed_2mtt 1
99 1 . . . parsed_2mtt 1
100 1 . . . parsed_2mtt 1
101 1 . . . parsed_2mtt 1
102 1 . . . parsed_2mtt 1
103 1 . . . parsed_2mtt 1
104 1 . . . parsed_2mtt 1
105 1 . . . parsed_2mtt 1
106 1 . . . parsed_2mtt 1
107 1 . . . parsed_2mtt 1
108 1 . . . parsed_2mtt 1
109 1 . . . parsed_2mtt 1
110 1 . . . parsed_2mtt 1
111 1 . . . parsed_2mtt 1
112 1 . . . parsed_2mtt 1
113 1 . . . parsed_2mtt 1
114 1 . . . parsed_2mtt 1
115 1 . . . parsed_2mtt 1
116 1 . . . parsed_2mtt 1
117 1 . . . parsed_2mtt 1
118 1 . . . parsed_2mtt 1
119 1 . . . parsed_2mtt 1
120 1 . . . parsed_2mtt 1
121 1 . . . parsed_2mtt 1
122 1 . . . parsed_2mtt 1
123 1 . . . parsed_2mtt 1
124 1 . . . parsed_2mtt 1
125 1 . . . parsed_2mtt 1
126 1 . . . parsed_2mtt 1
127 1 . . . parsed_2mtt 1
128 1 . . . parsed_2mtt 1
129 1 . . . parsed_2mtt 1
130 1 . . . parsed_2mtt 1
131 1 . . . parsed_2mtt 1
132 1 . . . parsed_2mtt 1
133 1 . . . parsed_2mtt 1
134 1 . . . parsed_2mtt 1
135 1 . . . parsed_2mtt 1
136 1 . . . parsed_2mtt 1
137 1 . . . parsed_2mtt 1
138 1 . . . parsed_2mtt 1
139 1 . . . parsed_2mtt 1
140 1 . . . parsed_2mtt 1
141 1 . . . parsed_2mtt 1
142 1 . . . parsed_2mtt 1
143 1 . . . parsed_2mtt 1
144 1 . . . parsed_2mtt 1
145 1 . . . parsed_2mtt 1
146 1 . . . parsed_2mtt 1
147 1 . . . parsed_2mtt 1
148 1 . . . parsed_2mtt 1
149 1 . . . parsed_2mtt 1
150 1 . . . parsed_2mtt 1
151 1 . . . parsed_2mtt 1
152 1 . . . parsed_2mtt 1
153 1 . . . parsed_2mtt 1
154 1 . . . parsed_2mtt 1
155 1 . . . parsed_2mtt 1
156 1 . . . parsed_2mtt 1
157 1 . . . parsed_2mtt 1
158 1 . . . parsed_2mtt 1
159 1 . . . parsed_2mtt 1
160 1 . . . parsed_2mtt 1
161 1 . . . parsed_2mtt 1
162 1 . . . parsed_2mtt 1
163 1 . . . parsed_2mtt 1
164 1 . . . parsed_2mtt 1
165 1 . . . parsed_2mtt 1
166 1 . . . parsed_2mtt 1
167 1 . . . parsed_2mtt 1
168 1 . . . parsed_2mtt 1
169 1 . . . parsed_2mtt 1
170 1 . . . parsed_2mtt 1
171 1 . . . parsed_2mtt 1
172 1 . . . parsed_2mtt 1
173 1 . . . parsed_2mtt 1
174 1 . . . parsed_2mtt 1
175 1 . . . parsed_2mtt 1
176 1 . . . parsed_2mtt 1
177 1 . . . parsed_2mtt 1
178 1 . . . parsed_2mtt 1
179 1 . . . parsed_2mtt 1
180 1 . . . parsed_2mtt 1
181 1 . . . parsed_2mtt 1
182 1 . . . parsed_2mtt 1
183 1 . . . parsed_2mtt 1
184 1 . . . parsed_2mtt 1
185 1 . . . parsed_2mtt 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 . . . . . . . . . 1 . HA2 parsed_2mtt 1
1 1 2 . . . . . . . . . 2 . HN parsed_2mtt 1
2 1 1 . . . . . . . . . 1 . HA1 parsed_2mtt 1
2 1 2 . . . . . . . . . 2 . HN parsed_2mtt 1
3 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
3 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1
4 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
4 1 2 . . . . . . . . . 5 . HB2 parsed_2mtt 1
5 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
5 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1
6 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
6 1 2 . . . . . . . . . 5 . HB* parsed_2mtt 1
7 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
7 1 2 . . . . . . . . . 8 . HB* parsed_2mtt 1
8 1 1 . . . . . . . . . 2 . HB2 parsed_2mtt 1
8 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1
9 1 1 . . . . . . . . . 2 . HB1 parsed_2mtt 1
9 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1
10 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1
10 1 2 . . . . . . . . . 2 . HB2 parsed_2mtt 1
11 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1
11 1 2 . . . . . . . . . 2 . HB1 parsed_2mtt 1
12 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
12 1 2 . . . . . . . . . 2 . HB2 parsed_2mtt 1
13 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
13 1 2 . . . . . . . . . 2 . HB1 parsed_2mtt 1
14 1 1 . . . . . . . . . 2 . HA parsed_2mtt 1
14 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1
15 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1
15 1 2 . . . . . . . . . 3 . HG parsed_2mtt 1
16 1 1 . . . . . . . . . 2 . HN parsed_2mtt 1
16 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1
17 1 1 . . . . . . . . . 2 . HB* parsed_2mtt 1
17 1 2 . . . . . . . . . 3 . HN parsed_2mtt 1
18 1 1 . . . . . . . . . 2 . HB* parsed_2mtt 1
18 1 2 . . . . . . . . . 5 . HB* parsed_2mtt 1
19 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1
19 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
20 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1
20 1 2 . . . . . . . . . 3 . HB2 parsed_2mtt 1
21 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1
21 1 2 . . . . . . . . . 3 . HB1 parsed_2mtt 1
22 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1
22 1 2 . . . . . . . . . 3 . HG parsed_2mtt 1
23 1 1 . . . . . . . . . 3 . HB1 parsed_2mtt 1
23 1 2 . . . . . . . . . 3 . HB2 parsed_2mtt 1
24 1 1 . . . . . . . . . 3 . HA parsed_2mtt 1
24 1 2 . . . . . . . . . 5 . HN parsed_2mtt 1
25 1 1 . . . . . . . . . 3 . HB2 parsed_2mtt 1
25 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1
26 1 1 . . . . . . . . . 3 . HB1 parsed_2mtt 1
26 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1
27 1 1 . . . . . . . . . 3 . HG parsed_2mtt 1
27 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1
28 1 1 . . . . . . . . . 3 . HG parsed_2mtt 1
28 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1
29 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
29 1 2 . . . . . . . . . 3 . HB2 parsed_2mtt 1
30 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
30 1 2 . . . . . . . . . 3 . HB1 parsed_2mtt 1
31 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
31 1 2 . . . . . . . . . 3 . HG parsed_2mtt 1
32 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
32 1 2 . . . . . . . . . 3 . HB* parsed_2mtt 1
33 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
33 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1
34 1 1 . . . . . . . . . 3 . HB* parsed_2mtt 1
34 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
35 1 1 . . . . . . . . . 3 . HB* parsed_2mtt 1
35 1 2 . . . . . . . . . 4 . HN parsed_2mtt 1
36 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
36 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
37 1 1 . . . . . . . . . 3 . HN parsed_2mtt 1
37 1 2 . . . . . . . . . 3 . HA parsed_2mtt 1
38 1 1 . . . . . . . . . 3 . HG parsed_2mtt 1
38 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1
39 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1
39 1 2 . . . . . . . . . 4 . HB2 parsed_2mtt 1
40 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1
40 1 2 . . . . . . . . . 4 . HB1 parsed_2mtt 1
41 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1
41 1 2 . . . . . . . . . 4 . HB* parsed_2mtt 1
42 1 1 . . . . . . . . . 4 . HN parsed_2mtt 1
42 1 2 . . . . . . . . . 5 . HB* parsed_2mtt 1
43 1 1 . . . . . . . . . 4 . HB1 parsed_2mtt 1
43 1 2 . . . . . . . . . 5 . HN parsed_2mtt 1
44 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1
44 1 2 . . . . . . . . . 5 . HB2 parsed_2mtt 1
45 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1
45 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1
46 1 1 . . . . . . . . . 5 . HB2 parsed_2mtt 1
46 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1
47 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1
47 1 2 . . . . . . . . . 6 . HD* parsed_2mtt 1
48 1 1 . . . . . . . . . 5 . HA parsed_2mtt 1
48 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1
49 1 1 . . . . . . . . . 5 . HB2 parsed_2mtt 1
49 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
50 1 1 . . . . . . . . . 5 . HB1 parsed_2mtt 1
50 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
51 1 1 . . . . . . . . . 5 . HN parsed_2mtt 1
51 1 2 . . . . . . . . . 5 . HB2 parsed_2mtt 1
52 1 1 . . . . . . . . . 5 . HN parsed_2mtt 1
52 1 2 . . . . . . . . . 5 . HB1 parsed_2mtt 1
53 1 1 . . . . . . . . . 5 . HN parsed_2mtt 1
53 1 2 . . . . . . . . . 8 . HB* parsed_2mtt 1
54 1 1 . . . . . . . . . 5 . HB* parsed_2mtt 1
54 1 2 . . . . . . . . . 6 . HD* parsed_2mtt 1
55 1 1 . . . . . . . . . 5 . HB* parsed_2mtt 1
55 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
56 1 1 . . . . . . . . . 5 . HB* parsed_2mtt 1
56 1 2 . . . . . . . . . 8 . HB* parsed_2mtt 1
57 1 1 . . . . . . . . . 6 . HA parsed_2mtt 1
57 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1
58 1 1 . . . . . . . . . 6 . HD* parsed_2mtt 1
58 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1
59 1 1 . . . . . . . . . 6 . HG* parsed_2mtt 1
59 1 2 . . . . . . . . . 7 . HN parsed_2mtt 1
60 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1
60 1 2 . . . . . . . . . 6 . HA parsed_2mtt 1
61 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1
61 1 2 . . . . . . . . . 6 . HB1 parsed_2mtt 1
62 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1
62 1 2 . . . . . . . . . 6 . HD1 parsed_2mtt 1
63 1 1 . . . . . . . . . 6 . HB2 parsed_2mtt 1
63 1 2 . . . . . . . . . 6 . HG1 parsed_2mtt 1
64 1 1 . . . . . . . . . 6 . HB1 parsed_2mtt 1
64 1 2 . . . . . . . . . 6 . HA parsed_2mtt 1
65 1 1 . . . . . . . . . 6 . HB1 parsed_2mtt 1
65 1 2 . . . . . . . . . 6 . HD1 parsed_2mtt 1
66 1 1 . . . . . . . . . 6 . HG1 parsed_2mtt 1
66 1 2 . . . . . . . . . 6 . HA parsed_2mtt 1
67 1 1 . . . . . . . . . 6 . HG1 parsed_2mtt 1
67 1 2 . . . . . . . . . 6 . HD1 parsed_2mtt 1
68 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
68 1 2 . . . . . . . . . 7 . HB2 parsed_2mtt 1
69 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
69 1 2 . . . . . . . . . 7 . HB1 parsed_2mtt 1
70 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
70 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
71 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
71 1 2 . . . . . . . . . 7 . HD2 parsed_2mtt 1
72 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
72 1 2 . . . . . . . . . 7 . HD1 parsed_2mtt 1
73 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
73 1 2 . . . . . . . . . 7 . HE parsed_2mtt 1
74 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
74 1 2 . . . . . . . . . 7 . HD* parsed_2mtt 1
75 1 1 . . . . . . . . . 7 . HA parsed_2mtt 1
75 1 2 . . . . . . . . . 7 . HG* parsed_2mtt 1
76 1 1 . . . . . . . . . 7 . HB2 parsed_2mtt 1
76 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
77 1 1 . . . . . . . . . 7 . HB1 parsed_2mtt 1
77 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
78 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
78 1 2 . . . . . . . . . 7 . HB2 parsed_2mtt 1
79 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
79 1 2 . . . . . . . . . 7 . HB1 parsed_2mtt 1
80 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
80 1 2 . . . . . . . . . 7 . HE parsed_2mtt 1
81 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
81 1 2 . . . . . . . . . 7 . HB* parsed_2mtt 1
82 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
82 1 2 . . . . . . . . . 7 . HD* parsed_2mtt 1
83 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
83 1 2 . . . . . . . . . 7 . HG* parsed_2mtt 1
84 1 1 . . . . . . . . . 7 . HN parsed_2mtt 1
84 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
85 1 1 . . . . . . . . . 7 . HB* parsed_2mtt 1
85 1 2 . . . . . . . . . 7 . HE parsed_2mtt 1
86 1 1 . . . . . . . . . 7 . HB* parsed_2mtt 1
86 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
87 1 1 . . . . . . . . . 7 . HG* parsed_2mtt 1
87 1 2 . . . . . . . . . 8 . HN parsed_2mtt 1
88 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1
88 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1
89 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1
89 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1
90 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1
90 1 2 . . . . . . . . . 8 . HA parsed_2mtt 1
91 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1
91 1 2 . . . . . . . . . 8 . HB2 parsed_2mtt 1
92 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1
92 1 2 . . . . . . . . . 8 . HB1 parsed_2mtt 1
93 1 1 . . . . . . . . . 8 . HB2 parsed_2mtt 1
93 1 2 . . . . . . . . . 8 . HB1 parsed_2mtt 1
94 1 1 . . . . . . . . . 8 . HA parsed_2mtt 1
94 1 2 . . . . . . . . . 9 . HN parsed_2mtt 1
95 1 1 . . . . . . . . . 8 . HB2 parsed_2mtt 1
95 1 2 . . . . . . . . . 9 . HN parsed_2mtt 1
96 1 1 . . . . . . . . . 8 . HB1 parsed_2mtt 1
96 1 2 . . . . . . . . . 9 . HN parsed_2mtt 1
97 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1
97 1 2 . . . . . . . . . 8 . HB2 parsed_2mtt 1
98 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1
98 1 2 . . . . . . . . . 8 . HB1 parsed_2mtt 1
99 1 1 . . . . . . . . . 8 . HN parsed_2mtt 1
99 1 2 . . . . . . . . . 8 . HA parsed_2mtt 1
100 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1
100 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1
101 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1
101 1 2 . . . . . . . . . 9 . HE parsed_2mtt 1
102 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1
102 1 2 . . . . . . . . . 9 . HD* parsed_2mtt 1
103 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1
103 1 2 . . . . . . . . . 9 . HB1 parsed_2mtt 1
104 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1
104 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1
105 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1
105 1 2 . . . . . . . . . 9 . HB* parsed_2mtt 1
106 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1
106 1 2 . . . . . . . . . 9 . HD* parsed_2mtt 1
107 1 1 . . . . . . . . . 9 . HN parsed_2mtt 1
107 1 2 . . . . . . . . . 9 . HG* parsed_2mtt 1
108 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1
108 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1
109 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1
109 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1
110 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1
110 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1
111 1 1 . . . . . . . . . 9 . HB* parsed_2mtt 1
111 1 2 . . . . . . . . . 9 . HE parsed_2mtt 1
112 1 1 . . . . . . . . . 9 . HG* parsed_2mtt 1
112 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1
113 1 1 . . . . . . . . . 9 . HG* parsed_2mtt 1
113 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1
114 1 1 . . . . . . . . . 9 . HG* parsed_2mtt 1
114 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1
115 1 1 . . . . . . . . . 9 . HA parsed_2mtt 1
115 1 2 . . . . . . . . . 10 . HN parsed_2mtt 1
116 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1
116 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1
117 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1
117 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1
118 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1
118 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1
119 1 1 . . . . . . . . . 10 . HA parsed_2mtt 1
119 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1
120 1 1 . . . . . . . . . 10 . HB2 parsed_2mtt 1
120 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1
121 1 1 . . . . . . . . . 10 . HB1 parsed_2mtt 1
121 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1
122 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1
122 1 2 . . . . . . . . . 10 . HA parsed_2mtt 1
123 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1
123 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1
124 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1
124 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1
125 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1
125 1 2 . . . . . . . . . 10 . HB* parsed_2mtt 1
126 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1
126 1 2 . . . . . . . . . 10 . HD* parsed_2mtt 1
127 1 1 . . . . . . . . . 10 . HN parsed_2mtt 1
127 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1
128 1 1 . . . . . . . . . 10 . HB* parsed_2mtt 1
128 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1
129 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
129 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1
130 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
130 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1
131 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
131 1 2 . . . . . . . . . 11 . HA parsed_2mtt 1
132 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
132 1 2 . . . . . . . . . 11 . HN parsed_2mtt 1
133 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
133 1 2 . . . . . . . . . 12 . HA parsed_2mtt 1
134 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
134 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
135 1 1 . . . . . . . . . 10 . HE* parsed_2mtt 1
135 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
136 1 1 . . . . . . . . . 10 . HE* parsed_2mtt 1
136 1 2 . . . . . . . . . 10 . HB2 parsed_2mtt 1
137 1 1 . . . . . . . . . 10 . HE* parsed_2mtt 1
137 1 2 . . . . . . . . . 10 . HB1 parsed_2mtt 1
138 1 1 . . . . . . . . . 10 . HD* parsed_2mtt 1
138 1 2 . . . . . . . . . 10 . HE* parsed_2mtt 1
139 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1
139 1 2 . . . . . . . . . 11 . HB2 parsed_2mtt 1
140 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1
140 1 2 . . . . . . . . . 11 . HB1 parsed_2mtt 1
141 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1
141 1 2 . . . . . . . . . 11 . HE parsed_2mtt 1
142 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1
142 1 2 . . . . . . . . . 11 . HD* parsed_2mtt 1
143 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1
143 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
144 1 1 . . . . . . . . . 11 . HA parsed_2mtt 1
144 1 2 . . . . . . . . . 11 . HG1 parsed_2mtt 1
145 1 1 . . . . . . . . . 11 . HB2 parsed_2mtt 1
145 1 2 . . . . . . . . . 11 . HE parsed_2mtt 1
146 1 1 . . . . . . . . . 11 . HB2 parsed_2mtt 1
146 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
147 1 1 . . . . . . . . . 11 . HB1 parsed_2mtt 1
147 1 2 . . . . . . . . . 11 . HE parsed_2mtt 1
148 1 1 . . . . . . . . . 11 . HB1 parsed_2mtt 1
148 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
149 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1
149 1 2 . . . . . . . . . 11 . HA parsed_2mtt 1
150 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1
150 1 2 . . . . . . . . . 11 . HB2 parsed_2mtt 1
151 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1
151 1 2 . . . . . . . . . 11 . HB1 parsed_2mtt 1
152 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1
152 1 2 . . . . . . . . . 11 . HB* parsed_2mtt 1
153 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1
153 1 2 . . . . . . . . . 11 . HD* parsed_2mtt 1
154 1 1 . . . . . . . . . 11 . HN parsed_2mtt 1
154 1 2 . . . . . . . . . 11 . HG* parsed_2mtt 1
155 1 1 . . . . . . . . . 11 . HB* parsed_2mtt 1
155 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
156 1 1 . . . . . . . . . 11 . HG* parsed_2mtt 1
156 1 2 . . . . . . . . . 12 . HN parsed_2mtt 1
157 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1
157 1 2 . . . . . . . . . 12 . HB2 parsed_2mtt 1
158 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1
158 1 2 . . . . . . . . . 12 . HB1 parsed_2mtt 1
159 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1
159 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
160 1 1 . . . . . . . . . 12 . HA parsed_2mtt 1
160 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1
161 1 1 . . . . . . . . . 12 . HB2 parsed_2mtt 1
161 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
162 1 1 . . . . . . . . . 12 . HB2 parsed_2mtt 1
162 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1
163 1 1 . . . . . . . . . 12 . HB1 parsed_2mtt 1
163 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1
164 1 1 . . . . . . . . . 12 . HG parsed_2mtt 1
164 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1
165 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1
165 1 2 . . . . . . . . . 12 . HB2 parsed_2mtt 1
166 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1
166 1 2 . . . . . . . . . 12 . HB1 parsed_2mtt 1
167 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1
167 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
168 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1
168 1 2 . . . . . . . . . 12 . HB* parsed_2mtt 1
169 1 1 . . . . . . . . . 12 . HN parsed_2mtt 1
169 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1
170 1 1 . . . . . . . . . 12 . HB* parsed_2mtt 1
170 1 2 . . . . . . . . . 13 . HN parsed_2mtt 1
171 1 1 . . . . . . . . . 12 . HB1 parsed_2mtt 1
171 1 2 . . . . . . . . . 12 . HG parsed_2mtt 1
172 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1
172 1 2 . . . . . . . . . 13 . HB1 parsed_2mtt 1
173 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1
173 1 2 . . . . . . . . . 13 . HG1 parsed_2mtt 1
174 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1
174 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1
175 1 1 . . . . . . . . . 13 . HA parsed_2mtt 1
175 1 2 . . . . . . . . . 13 . HD* parsed_2mtt 1
176 1 1 . . . . . . . . . 13 . HB2 parsed_2mtt 1
176 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1
177 1 1 . . . . . . . . . 13 . HB1 parsed_2mtt 1
177 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1
178 1 1 . . . . . . . . . 13 . HN parsed_2mtt 1
178 1 2 . . . . . . . . . 13 . HB* parsed_2mtt 1
179 1 1 . . . . . . . . . 13 . HN parsed_2mtt 1
179 1 2 . . . . . . . . . 13 . HD* parsed_2mtt 1
180 1 1 . . . . . . . . . 13 . HN parsed_2mtt 1
180 1 2 . . . . . . . . . 13 . HG* parsed_2mtt 1
181 1 1 . . . . . . . . . 13 . HB* parsed_2mtt 1
181 1 2 . . . . . . . . . 13 . HE parsed_2mtt 1
182 1 1 . . . . . . . . . 13 . HB1 parsed_2mtt 1
182 1 2 . . . . . . . . . 13 . HB2 parsed_2mtt 1
183 1 1 . . . . . . . . . 13 . HB1 parsed_2mtt 1
183 1 2 . . . . . . . . . 13 . HG1 parsed_2mtt 1
184 1 1 . . . . . . . . . 13 . HG1 parsed_2mtt 1
184 1 2 . . . . . . . . . 13 . HD1 parsed_2mtt 1
185 1 1 . . . . . . . . . 13 . HG* parsed_2mtt 1
185 1 2 . . . . . . . . . 13 . HE parsed_2mtt 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 . . . . . 3.55 1.80 3.55 parsed_2mtt 1
2 1 . . . . . 3.55 1.80 3.55 parsed_2mtt 1
3 1 . . . . . 4.65 1.80 4.65 parsed_2mtt 1
4 1 . . . . . 5.28 1.80 5.28 parsed_2mtt 1
5 1 . . . . . 5.28 1.80 5.28 parsed_2mtt 1
6 1 . . . . . 4.62 1.80 4.62 parsed_2mtt 1
7 1 . . . . . 5.19 1.80 5.19 parsed_2mtt 1
8 1 . . . . . 4.45 1.80 4.45 parsed_2mtt 1
9 1 . . . . . 4.45 1.80 4.45 parsed_2mtt 1
10 1 . . . . . 3.64 1.80 3.64 parsed_2mtt 1
11 1 . . . . . 3.64 1.80 3.64 parsed_2mtt 1
12 1 . . . . . 3.68 1.80 3.68 parsed_2mtt 1
13 1 . . . . . 4.08 1.80 4.08 parsed_2mtt 1
14 1 . . . . . 3.59 1.80 3.59 parsed_2mtt 1
15 1 . . . . . 4.95 1.80 4.95 parsed_2mtt 1
16 1 . . . . . 3.66 1.80 3.66 parsed_2mtt 1
17 1 . . . . . 3.75 1.80 3.75 parsed_2mtt 1
18 1 . . . . . 5.2 1.8 5.2 parsed_2mtt 1
19 1 . . . . . 4.73 1.80 4.73 parsed_2mtt 1
20 1 . . . . . 3.82 1.80 3.82 parsed_2mtt 1
21 1 . . . . . 3.99 1.80 3.99 parsed_2mtt 1
22 1 . . . . . 4.03 1.80 4.03 parsed_2mtt 1
23 1 . . . . . 2.58 1.80 2.58 parsed_2mtt 1
24 1 . . . . . 5.01 1.80 5.01 parsed_2mtt 1
25 1 . . . . . 4.24 1.80 4.24 parsed_2mtt 1
26 1 . . . . . 4.24 1.80 4.24 parsed_2mtt 1
27 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
28 1 . . . . . 4.74 1.80 4.74 parsed_2mtt 1
29 1 . . . . . 3.7 1.8 3.7 parsed_2mtt 1
30 1 . . . . . 3.7 1.8 3.7 parsed_2mtt 1
31 1 . . . . . 3.21 1.80 3.21 parsed_2mtt 1
32 1 . . . . . 2.96 1.80 2.96 parsed_2mtt 1
33 1 . . . . . 3.39 1.80 3.39 parsed_2mtt 1
34 1 . . . . . 4.3 1.8 4.3 parsed_2mtt 1
35 1 . . . . . 3.61 1.80 3.61 parsed_2mtt 1
36 1 . . . . . 5 1.8 5.0 parsed_2mtt 1
37 1 . . . . . 3.5 1.8 3.5 parsed_2mtt 1
38 1 . . . . . 3.97 1.80 3.97 parsed_2mtt 1
39 1 . . . . . 3.78 1.80 3.78 parsed_2mtt 1
40 1 . . . . . 3.78 1.80 3.78 parsed_2mtt 1
41 1 . . . . . 3.17 1.80 3.17 parsed_2mtt 1
42 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1
43 1 . . . . . 4.5 1.8 4.5 parsed_2mtt 1
44 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1
45 1 . . . . . 4.55 1.80 4.55 parsed_2mtt 1
46 1 . . . . . 3 1.8 3.0 parsed_2mtt 1
47 1 . . . . . 2.77 1.80 2.77 parsed_2mtt 1
48 1 . . . . . 4.86 1.80 4.86 parsed_2mtt 1
49 1 . . . . . 4.63 1.80 4.63 parsed_2mtt 1
50 1 . . . . . 4.63 1.80 4.63 parsed_2mtt 1
51 1 . . . . . 3.57 1.80 3.57 parsed_2mtt 1
52 1 . . . . . 3.57 1.80 3.57 parsed_2mtt 1
53 1 . . . . . 4.68 1.80 4.68 parsed_2mtt 1
54 1 . . . . . 2.6 1.8 2.6 parsed_2mtt 1
55 1 . . . . . 3.82 1.80 3.82 parsed_2mtt 1
56 1 . . . . . 4.78 1.80 4.78 parsed_2mtt 1
57 1 . . . . . 3.74 1.80 3.74 parsed_2mtt 1
58 1 . . . . . 3.75 1.80 3.75 parsed_2mtt 1
59 1 . . . . . 4.15 1.80 4.15 parsed_2mtt 1
60 1 . . . . . 3.78 1.80 3.78 parsed_2mtt 1
61 1 . . . . . 2.96 1.80 2.96 parsed_2mtt 1
62 1 . . . . . 4.21 1.80 4.21 parsed_2mtt 1
63 1 . . . . . 2.8 1.8 2.8 parsed_2mtt 1
64 1 . . . . . 3.54 1.80 3.54 parsed_2mtt 1
65 1 . . . . . 4.62 1.80 4.62 parsed_2mtt 1
66 1 . . . . . 4.27 1.80 4.27 parsed_2mtt 1
67 1 . . . . . 3.43 1.80 3.43 parsed_2mtt 1
68 1 . . . . . 3.72 1.80 3.72 parsed_2mtt 1
69 1 . . . . . 3.92 1.80 3.92 parsed_2mtt 1
70 1 . . . . . 3.87 1.80 3.87 parsed_2mtt 1
71 1 . . . . . 5.49 1.80 5.49 parsed_2mtt 1
72 1 . . . . . 5.49 1.80 5.49 parsed_2mtt 1
73 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
74 1 . . . . . 4.74 1.80 4.74 parsed_2mtt 1
75 1 . . . . . 3.57 1.80 3.57 parsed_2mtt 1
76 1 . . . . . 4.64 1.80 4.64 parsed_2mtt 1
77 1 . . . . . 4.64 1.80 4.64 parsed_2mtt 1
78 1 . . . . . 3.83 1.80 3.83 parsed_2mtt 1
79 1 . . . . . 3.83 1.80 3.83 parsed_2mtt 1
80 1 . . . . . 5.1 1.8 5.1 parsed_2mtt 1
81 1 . . . . . 3 1.8 3.0 parsed_2mtt 1
82 1 . . . . . 4.21 1.80 4.21 parsed_2mtt 1
83 1 . . . . . 3.22 1.80 3.22 parsed_2mtt 1
84 1 . . . . . 3.05 1.80 3.05 parsed_2mtt 1
85 1 . . . . . 4.07 1.80 4.07 parsed_2mtt 1
86 1 . . . . . 4.03 1.80 4.03 parsed_2mtt 1
87 1 . . . . . 4.81 1.80 4.81 parsed_2mtt 1
88 1 . . . . . 4.69 1.80 4.69 parsed_2mtt 1
89 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
90 1 . . . . . 3.45 1.80 3.45 parsed_2mtt 1
91 1 . . . . . 4.13 1.80 4.13 parsed_2mtt 1
92 1 . . . . . 4.02 1.80 4.02 parsed_2mtt 1
93 1 . . . . . 2.71 1.80 2.71 parsed_2mtt 1
94 1 . . . . . 2.82 1.80 2.82 parsed_2mtt 1
95 1 . . . . . 4.43 1.80 4.43 parsed_2mtt 1
96 1 . . . . . 4.43 1.80 4.43 parsed_2mtt 1
97 1 . . . . . 3.24 1.80 3.24 parsed_2mtt 1
98 1 . . . . . 3.24 1.80 3.24 parsed_2mtt 1
99 1 . . . . . 3.45 1.80 3.45 parsed_2mtt 1
100 1 . . . . . 4.12 1.80 4.12 parsed_2mtt 1
101 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
102 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1
103 1 . . . . . 3.64 1.80 3.64 parsed_2mtt 1
104 1 . . . . . 3.41 1.80 3.41 parsed_2mtt 1
105 1 . . . . . 2.96 1.80 2.96 parsed_2mtt 1
106 1 . . . . . 4.72 1.80 4.72 parsed_2mtt 1
107 1 . . . . . 3.46 1.80 3.46 parsed_2mtt 1
108 1 . . . . . 4.34 1.80 4.34 parsed_2mtt 1
109 1 . . . . . 4.66 1.80 4.66 parsed_2mtt 1
110 1 . . . . . 5.50 1.80 5.50 parsed_2mtt 1
111 1 . . . . . 5.29 1.80 5.29 parsed_2mtt 1
112 1 . . . . . 5.28 1.80 5.28 parsed_2mtt 1
113 1 . . . . . 4.79 1.80 4.79 parsed_2mtt 1
114 1 . . . . . 5.50 1.80 5.50 parsed_2mtt 1
115 1 . . . . . 4.12 1.80 4.12 parsed_2mtt 1
116 1 . . . . . 3.82 1.80 3.82 parsed_2mtt 1
117 1 . . . . . 3.65 1.80 3.65 parsed_2mtt 1
118 1 . . . . . 3.97 1.80 3.97 parsed_2mtt 1
119 1 . . . . . 3.35 1.80 3.35 parsed_2mtt 1
120 1 . . . . . 4.49 1.80 4.49 parsed_2mtt 1
121 1 . . . . . 4.49 1.80 4.49 parsed_2mtt 1
122 1 . . . . . 4.14 1.80 4.14 parsed_2mtt 1
123 1 . . . . . 4.07 1.80 4.07 parsed_2mtt 1
124 1 . . . . . 4.07 1.80 4.07 parsed_2mtt 1
125 1 . . . . . 3.4 1.8 3.4 parsed_2mtt 1
126 1 . . . . . 4.27 1.80 4.27 parsed_2mtt 1
127 1 . . . . . 4.48 1.80 4.48 parsed_2mtt 1
128 1 . . . . . 3.63 1.80 3.63 parsed_2mtt 1
129 1 . . . . . 4.2 1.8 4.2 parsed_2mtt 1
130 1 . . . . . 4.2 1.8 4.2 parsed_2mtt 1
131 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
132 1 . . . . . 4.79 1.80 4.79 parsed_2mtt 1
133 1 . . . . . 4.87 1.80 4.87 parsed_2mtt 1
134 1 . . . . . 5.10 1.80 5.10 parsed_2mtt 1
135 1 . . . . . 4.1 1.8 4.1 parsed_2mtt 1
136 1 . . . . . 4.5 1.8 4.5 parsed_2mtt 1
137 1 . . . . . 4.5 1.8 4.5 parsed_2mtt 1
138 1 . . . . . 2.4 1.8 2.4 parsed_2mtt 1
139 1 . . . . . 3.69 1.80 3.69 parsed_2mtt 1
140 1 . . . . . 3.73 1.80 3.73 parsed_2mtt 1
141 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
142 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1
143 1 . . . . . 2.89 1.80 2.89 parsed_2mtt 1
144 1 . . . . . 4.83 1.80 4.83 parsed_2mtt 1
145 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
146 1 . . . . . 4.4 1.8 4.4 parsed_2mtt 1
147 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
148 1 . . . . . 4.4 1.8 4.4 parsed_2mtt 1
149 1 . . . . . 3.85 1.80 3.85 parsed_2mtt 1
150 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1
151 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1
152 1 . . . . . 3.22 1.80 3.22 parsed_2mtt 1
153 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1
154 1 . . . . . 3.88 1.80 3.88 parsed_2mtt 1
155 1 . . . . . 3.65 1.80 3.65 parsed_2mtt 1
156 1 . . . . . 4.69 1.80 4.69 parsed_2mtt 1
157 1 . . . . . 3.53 1.80 3.53 parsed_2mtt 1
158 1 . . . . . 3.62 1.80 3.62 parsed_2mtt 1
159 1 . . . . . 3.56 1.80 3.56 parsed_2mtt 1
160 1 . . . . . 3.22 1.80 3.22 parsed_2mtt 1
161 1 . . . . . 3.37 1.80 3.37 parsed_2mtt 1
162 1 . . . . . 4.04 1.80 4.04 parsed_2mtt 1
163 1 . . . . . 4.04 1.80 4.04 parsed_2mtt 1
164 1 . . . . . 5.12 1.80 5.12 parsed_2mtt 1
165 1 . . . . . 3.77 1.80 3.77 parsed_2mtt 1
166 1 . . . . . 3.77 1.80 3.77 parsed_2mtt 1
167 1 . . . . . 4.36 1.80 4.36 parsed_2mtt 1
168 1 . . . . . 3.21 1.80 3.21 parsed_2mtt 1
169 1 . . . . . 4.53 1.80 4.53 parsed_2mtt 1
170 1 . . . . . 3.51 1.80 3.51 parsed_2mtt 1
171 1 . . . . . 3.49 1.80 3.49 parsed_2mtt 1
172 1 . . . . . 3.97 1.80 3.97 parsed_2mtt 1
173 1 . . . . . 4.25 1.80 4.25 parsed_2mtt 1
174 1 . . . . . 5.5 1.8 5.5 parsed_2mtt 1
175 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1
176 1 . . . . . 4.8 1.8 4.8 parsed_2mtt 1
177 1 . . . . . 4.8 1.8 4.8 parsed_2mtt 1
178 1 . . . . . 3.62 1.80 3.62 parsed_2mtt 1
179 1 . . . . . 5.34 1.80 5.34 parsed_2mtt 1
180 1 . . . . . 4.99 1.80 4.99 parsed_2mtt 1
181 1 . . . . . 4.02 1.80 4.02 parsed_2mtt 1
182 1 . . . . . 2.4 1.8 2.4 parsed_2mtt 1
183 1 . . . . . 2.4 1.8 2.4 parsed_2mtt 1
184 1 . . . . . 3 1.8 3.0 parsed_2mtt 1
185 1 . . . . . 3.44 1.80 3.44 parsed_2mtt 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mtt
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -10.3 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mtt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.7 -53.7 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mtt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.4 -6.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mtt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.7 -64.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mtt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.4 16.6 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mtt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.3 -45.1 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mtt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.6 163.8 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2mtt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.7 -57.9 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mtt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 32.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mtt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 240 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2mtt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mtt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mtt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2mtt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mtt 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 CHI1 20 1 20 7 parsed_2mtt 1
2 PHI 25 1 25 6 parsed_2mtt 1
stop_
save_
save_MR_file_comment_4
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2mtt
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 4
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
assign (resid 8 and name N )
(resid 8 and name HN )
(resid 5 and name O )
;
save_