Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
602015 | 2n1p RC | 25570 | cing | 2-parsed | STAR | entry | full | 209 |
data_2n1p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n1p
_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_2n1p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n1p
_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 2n1p "Master copy" parsed_2n1p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n1p
_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 2n1p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n1p 1
1 2n1p.mr . . XPLOR/CNS 2 distance NOE simple 178 parsed_2n1p 1
1 2n1p.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 31 parsed_2n1p 1
1 2n1p.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n1p 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_2n1p
_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 VIRAL PROTEIN 15-APR-15 2N1P
*TITLE STRUCTURE OF THE C-TERMINAL MEMBRANE DOMAIN OF HCV NS5B PROTEIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 5B, NS5B;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: C-TERMINAL DOMAIN (UNP RESIDUES 2982-3011);
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS;
*SOURCE 4 ORGANISM_COMMON: HCV;
*SOURCE 5 ORGANISM_TAXID: 11108
*KEYWDS MEMBRANE DOMAIN, NS5B PROTEIN, HEPATITIS C VIRUS, VIRAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 41
*AUTHOR R.MONTSERRET, F.PENIN
*REVDAT 1 20-APR-16 2N1P 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n1p
_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_2n1p 1
2 1 . . . parsed_2n1p 1
3 1 . . . parsed_2n1p 1
4 1 . . . parsed_2n1p 1
5 1 . . . parsed_2n1p 1
6 1 . . . parsed_2n1p 1
7 1 . . . parsed_2n1p 1
8 1 . . . parsed_2n1p 1
9 1 . . . parsed_2n1p 1
10 1 . . . parsed_2n1p 1
11 1 . . . parsed_2n1p 1
12 1 . . . parsed_2n1p 1
13 1 . . . parsed_2n1p 1
14 1 . . . parsed_2n1p 1
15 1 . . . parsed_2n1p 1
16 1 . . . parsed_2n1p 1
17 1 . . . parsed_2n1p 1
18 1 . . . parsed_2n1p 1
19 1 . . . parsed_2n1p 1
20 1 . . . parsed_2n1p 1
21 1 . . . parsed_2n1p 1
22 1 . . . parsed_2n1p 1
23 1 . . . parsed_2n1p 1
24 1 . . . parsed_2n1p 1
25 1 . . . parsed_2n1p 1
26 1 . . . parsed_2n1p 1
27 1 . . . parsed_2n1p 1
28 1 . . . parsed_2n1p 1
29 1 . . . parsed_2n1p 1
30 1 . . . parsed_2n1p 1
31 1 . . . parsed_2n1p 1
32 1 . . . parsed_2n1p 1
33 1 . . . parsed_2n1p 1
34 1 . . . parsed_2n1p 1
35 1 . . . parsed_2n1p 1
36 1 . . . parsed_2n1p 1
37 1 . . . parsed_2n1p 1
38 1 . . . parsed_2n1p 1
39 1 . . . parsed_2n1p 1
40 1 . . . parsed_2n1p 1
41 1 . . . parsed_2n1p 1
42 1 . . . parsed_2n1p 1
43 1 . . . parsed_2n1p 1
44 1 . . . parsed_2n1p 1
45 1 . . . parsed_2n1p 1
46 1 . . . parsed_2n1p 1
47 1 . . . parsed_2n1p 1
48 1 . . . parsed_2n1p 1
49 1 . . . parsed_2n1p 1
50 1 . . . parsed_2n1p 1
51 1 . . . parsed_2n1p 1
52 1 . . . parsed_2n1p 1
53 1 . . . parsed_2n1p 1
54 1 . . . parsed_2n1p 1
55 1 . . . parsed_2n1p 1
56 1 . . . parsed_2n1p 1
57 1 . . . parsed_2n1p 1
58 1 . . . parsed_2n1p 1
59 1 . . . parsed_2n1p 1
60 1 . . . parsed_2n1p 1
61 1 . . . parsed_2n1p 1
62 1 . . . parsed_2n1p 1
63 1 . . . parsed_2n1p 1
64 1 . . . parsed_2n1p 1
65 1 . . . parsed_2n1p 1
66 1 . . . parsed_2n1p 1
67 1 . . . parsed_2n1p 1
68 1 . . . parsed_2n1p 1
69 1 . . . parsed_2n1p 1
70 1 . . . parsed_2n1p 1
71 1 . . . parsed_2n1p 1
72 1 . . . parsed_2n1p 1
73 1 . . . parsed_2n1p 1
74 1 . . . parsed_2n1p 1
75 1 . . . parsed_2n1p 1
76 1 . . . parsed_2n1p 1
77 1 . . . parsed_2n1p 1
78 1 . . . parsed_2n1p 1
79 1 . . . parsed_2n1p 1
80 1 . . . parsed_2n1p 1
81 1 . . . parsed_2n1p 1
82 1 . . . parsed_2n1p 1
83 1 . . . parsed_2n1p 1
84 1 . . . parsed_2n1p 1
85 1 . . . parsed_2n1p 1
86 1 . . . parsed_2n1p 1
87 1 . . . parsed_2n1p 1
88 1 . . . parsed_2n1p 1
89 1 . . . parsed_2n1p 1
90 1 . . . parsed_2n1p 1
91 1 . . . parsed_2n1p 1
92 1 . . . parsed_2n1p 1
93 1 . . . parsed_2n1p 1
94 1 . . . parsed_2n1p 1
95 1 . . . parsed_2n1p 1
96 1 . . . parsed_2n1p 1
97 1 . . . parsed_2n1p 1
98 1 . . . parsed_2n1p 1
99 1 . . . parsed_2n1p 1
100 1 . . . parsed_2n1p 1
101 1 . . . parsed_2n1p 1
102 1 . . . parsed_2n1p 1
103 1 . . . parsed_2n1p 1
104 1 . . . parsed_2n1p 1
105 1 . . . parsed_2n1p 1
106 1 . . . parsed_2n1p 1
107 1 . . . parsed_2n1p 1
108 1 . . . parsed_2n1p 1
109 1 . . . parsed_2n1p 1
110 1 . . . parsed_2n1p 1
111 1 . . . parsed_2n1p 1
112 1 . . . parsed_2n1p 1
113 1 . . . parsed_2n1p 1
114 1 . . . parsed_2n1p 1
115 1 . . . parsed_2n1p 1
116 1 . . . parsed_2n1p 1
117 1 . . . parsed_2n1p 1
118 1 . . . parsed_2n1p 1
119 1 . . . parsed_2n1p 1
120 1 . . . parsed_2n1p 1
121 1 . . . parsed_2n1p 1
122 1 . . . parsed_2n1p 1
123 1 . . . parsed_2n1p 1
124 1 . . . parsed_2n1p 1
125 1 . . . parsed_2n1p 1
126 1 . . . parsed_2n1p 1
127 1 . . . parsed_2n1p 1
128 1 . . . parsed_2n1p 1
129 1 . . . parsed_2n1p 1
130 1 . . . parsed_2n1p 1
131 1 . . . parsed_2n1p 1
132 1 . . . parsed_2n1p 1
133 1 . . . parsed_2n1p 1
134 1 . . . parsed_2n1p 1
135 1 . . . parsed_2n1p 1
136 1 . . . parsed_2n1p 1
137 1 . . . parsed_2n1p 1
138 1 . . . parsed_2n1p 1
139 1 . . . parsed_2n1p 1
140 1 . . . parsed_2n1p 1
141 1 . . . parsed_2n1p 1
142 1 . . . parsed_2n1p 1
143 1 . . . parsed_2n1p 1
144 1 . . . parsed_2n1p 1
145 1 . . . parsed_2n1p 1
146 1 . . . parsed_2n1p 1
147 1 . . . parsed_2n1p 1
148 1 . . . parsed_2n1p 1
149 1 . . . parsed_2n1p 1
150 1 . . . parsed_2n1p 1
151 1 . . . parsed_2n1p 1
152 1 . . . parsed_2n1p 1
153 1 . . . parsed_2n1p 1
154 1 . . . parsed_2n1p 1
155 1 . . . parsed_2n1p 1
156 1 . . . parsed_2n1p 1
157 1 . . . parsed_2n1p 1
158 1 . . . parsed_2n1p 1
159 1 . . . parsed_2n1p 1
160 1 . . . parsed_2n1p 1
161 1 . . . parsed_2n1p 1
162 1 . . . parsed_2n1p 1
163 1 . . . parsed_2n1p 1
164 1 . . . parsed_2n1p 1
165 1 . . . parsed_2n1p 1
166 1 . . . parsed_2n1p 1
167 1 . . . parsed_2n1p 1
168 1 . . . parsed_2n1p 1
169 1 . . . parsed_2n1p 1
170 1 . . . parsed_2n1p 1
171 1 . . . parsed_2n1p 1
172 1 . . . parsed_2n1p 1
173 1 . . . parsed_2n1p 1
174 1 . . . parsed_2n1p 1
175 1 . . . parsed_2n1p 1
176 1 . . . parsed_2n1p 1
177 1 . . . parsed_2n1p 1
178 1 . . . parsed_2n1p 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 . HA parsed_2n1p 1
1 1 2 . . . . . . . . . 2 . HN parsed_2n1p 1
2 1 1 . . . . . . . . . 1 . HB# parsed_2n1p 1
2 1 2 . . . . . . . . . 2 . HN parsed_2n1p 1
3 1 1 . . . . . . . . . 2 . HN parsed_2n1p 1
3 1 2 . . . . . . . . . 3 . HN parsed_2n1p 1
4 1 1 . . . . . . . . . 2 . HA parsed_2n1p 1
4 1 2 . . . . . . . . . 3 . HN parsed_2n1p 1
5 1 1 . . . . . . . . . 2 . HB# parsed_2n1p 1
5 1 2 . . . . . . . . . 3 . HN parsed_2n1p 1
6 1 1 . . . . . . . . . 3 . HN parsed_2n1p 1
6 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1
7 1 1 . . . . . . . . . 3 . HA parsed_2n1p 1
7 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1
8 1 1 . . . . . . . . . 3 . HB parsed_2n1p 1
8 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1
9 1 1 . . . . . . . . . 3 . HG* parsed_2n1p 1
9 1 2 . . . . . . . . . 4 . HN parsed_2n1p 1
10 1 1 . . . . . . . . . 3 . HA parsed_2n1p 1
10 1 2 . . . . . . . . . 6 . HB# parsed_2n1p 1
11 1 1 . . . . . . . . . 4 . HN parsed_2n1p 1
11 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1
12 1 1 . . . . . . . . . 4 . HA parsed_2n1p 1
12 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1
13 1 1 . . . . . . . . . 4 . HB2 parsed_2n1p 1
13 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1
14 1 1 . . . . . . . . . 4 . HB1 parsed_2n1p 1
14 1 2 . . . . . . . . . 5 . HN parsed_2n1p 1
15 1 1 . . . . . . . . . 5 . HN parsed_2n1p 1
15 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1
16 1 1 . . . . . . . . . 5 . HA parsed_2n1p 1
16 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1
17 1 1 . . . . . . . . . 5 . HB1 parsed_2n1p 1
17 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1
18 1 1 . . . . . . . . . 5 . HB2 parsed_2n1p 1
18 1 2 . . . . . . . . . 6 . HN parsed_2n1p 1
19 1 1 . . . . . . . . . 6 . HN parsed_2n1p 1
19 1 2 . . . . . . . . . 7 . HN parsed_2n1p 1
20 1 1 . . . . . . . . . 6 . HA parsed_2n1p 1
20 1 2 . . . . . . . . . 7 . HN parsed_2n1p 1
21 1 1 . . . . . . . . . 6 . HB# parsed_2n1p 1
21 1 2 . . . . . . . . . 7 . HN parsed_2n1p 1
22 1 1 . . . . . . . . . 7 . HN parsed_2n1p 1
22 1 2 . . . . . . . . . 8 . HD# parsed_2n1p 1
23 1 1 . . . . . . . . . 7 . HA parsed_2n1p 1
23 1 2 . . . . . . . . . 8 . HD# parsed_2n1p 1
24 1 1 . . . . . . . . . 7 . HB1 parsed_2n1p 1
24 1 2 . . . . . . . . . 8 . HD# parsed_2n1p 1
25 1 1 . . . . . . . . . 8 . HD# parsed_2n1p 1
25 1 2 . . . . . . . . . 9 . HN parsed_2n1p 1
26 1 1 . . . . . . . . . 9 . HN parsed_2n1p 1
26 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1
27 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1
27 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1
28 1 1 . . . . . . . . . 9 . HB2 parsed_2n1p 1
28 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1
29 1 1 . . . . . . . . . 9 . HB1 parsed_2n1p 1
29 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1
30 1 1 . . . . . . . . . 9 . HG1 parsed_2n1p 1
30 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1
31 1 1 . . . . . . . . . 9 . HG2 parsed_2n1p 1
31 1 2 . . . . . . . . . 10 . HN parsed_2n1p 1
32 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1
32 1 2 . . . . . . . . . 12 . HB1 parsed_2n1p 1
33 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1
33 1 2 . . . . . . . . . 12 . HB2 parsed_2n1p 1
34 1 1 . . . . . . . . . 10 . HA parsed_2n1p 1
34 1 2 . . . . . . . . . 13 . HB# parsed_2n1p 1
35 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1
35 1 2 . . . . . . . . . 13 . HN parsed_2n1p 1
36 1 1 . . . . . . . . . 12 . HB1 parsed_2n1p 1
36 1 2 . . . . . . . . . 13 . HN parsed_2n1p 1
37 1 1 . . . . . . . . . 12 . HB2 parsed_2n1p 1
37 1 2 . . . . . . . . . 13 . HN parsed_2n1p 1
38 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1
38 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1
39 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1
39 1 2 . . . . . . . . . 15 . HB1 parsed_2n1p 1
40 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1
40 1 2 . . . . . . . . . 15 . HB2 parsed_2n1p 1
41 1 1 . . . . . . . . . 12 . HA parsed_2n1p 1
41 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
42 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1
42 1 2 . . . . . . . . . 14 . HN parsed_2n1p 1
43 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1
43 1 2 . . . . . . . . . 14 . HN parsed_2n1p 1
44 1 1 . . . . . . . . . 13 . HN parsed_2n1p 1
44 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1
45 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1
45 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1
46 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1
46 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
47 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1
47 1 2 . . . . . . . . . 16 . HB1 parsed_2n1p 1
48 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1
48 1 2 . . . . . . . . . 16 . HB2 parsed_2n1p 1
49 1 1 . . . . . . . . . 13 . HA parsed_2n1p 1
49 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
50 1 1 . . . . . . . . . 14 . HN parsed_2n1p 1
50 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1
51 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
51 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1
52 1 1 . . . . . . . . . 14 . HB# parsed_2n1p 1
52 1 2 . . . . . . . . . 15 . HN parsed_2n1p 1
53 1 1 . . . . . . . . . 14 . HN parsed_2n1p 1
53 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
54 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
54 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
55 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
55 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
56 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
56 1 2 . . . . . . . . . 17 . HB1 parsed_2n1p 1
57 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
57 1 2 . . . . . . . . . 17 . HB2 parsed_2n1p 1
58 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
58 1 2 . . . . . . . . . 17 . HG parsed_2n1p 1
59 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
59 1 2 . . . . . . . . . 17 . HD* parsed_2n1p 1
60 1 1 . . . . . . . . . 14 . HA parsed_2n1p 1
60 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
61 1 1 . . . . . . . . . 15 . HN parsed_2n1p 1
61 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
62 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1
62 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
63 1 1 . . . . . . . . . 15 . HB1 parsed_2n1p 1
63 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
64 1 1 . . . . . . . . . 15 . HB2 parsed_2n1p 1
64 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
65 1 1 . . . . . . . . . 15 . HD* parsed_2n1p 1
65 1 2 . . . . . . . . . 16 . HN parsed_2n1p 1
66 1 1 . . . . . . . . . 15 . HN parsed_2n1p 1
66 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
67 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1
67 1 2 . . . . . . . . . 18 . HB2 parsed_2n1p 1
68 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1
68 1 2 . . . . . . . . . 18 . HB1 parsed_2n1p 1
69 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1
69 1 2 . . . . . . . . . 18 . HD* parsed_2n1p 1
70 1 1 . . . . . . . . . 15 . HA parsed_2n1p 1
70 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
71 1 1 . . . . . . . . . 16 . HN parsed_2n1p 1
71 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
72 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1
72 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
73 1 1 . . . . . . . . . 16 . HB1 parsed_2n1p 1
73 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
74 1 1 . . . . . . . . . 16 . HB2 parsed_2n1p 1
74 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
75 1 1 . . . . . . . . . 16 . HD* parsed_2n1p 1
75 1 2 . . . . . . . . . 17 . HN parsed_2n1p 1
76 1 1 . . . . . . . . . 16 . HN parsed_2n1p 1
76 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
77 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1
77 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
78 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1
78 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
79 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1
79 1 2 . . . . . . . . . 19 . HB# parsed_2n1p 1
80 1 1 . . . . . . . . . 16 . HA parsed_2n1p 1
80 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1
81 1 1 . . . . . . . . . 17 . HN parsed_2n1p 1
81 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
82 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1
82 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
83 1 1 . . . . . . . . . 17 . HB2 parsed_2n1p 1
83 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
84 1 1 . . . . . . . . . 17 . HD* parsed_2n1p 1
84 1 2 . . . . . . . . . 18 . HN parsed_2n1p 1
85 1 1 . . . . . . . . . 17 . HN parsed_2n1p 1
85 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
86 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1
86 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1
87 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1
87 1 2 . . . . . . . . . 20 . HB# parsed_2n1p 1
88 1 1 . . . . . . . . . 17 . HA parsed_2n1p 1
88 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
89 1 1 . . . . . . . . . 18 . HN parsed_2n1p 1
89 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
90 1 1 . . . . . . . . . 18 . HA parsed_2n1p 1
90 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
91 1 1 . . . . . . . . . 18 . HB1 parsed_2n1p 1
91 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
92 1 1 . . . . . . . . . 18 . HB2 parsed_2n1p 1
92 1 2 . . . . . . . . . 19 . HN parsed_2n1p 1
93 1 1 . . . . . . . . . 18 . HN parsed_2n1p 1
93 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1
94 1 1 . . . . . . . . . 18 . HA parsed_2n1p 1
94 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
95 1 1 . . . . . . . . . 18 . HA parsed_2n1p 1
95 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1
96 1 1 . . . . . . . . . 19 . HN parsed_2n1p 1
96 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1
97 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
97 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1
98 1 1 . . . . . . . . . 19 . HB# parsed_2n1p 1
98 1 2 . . . . . . . . . 20 . HN parsed_2n1p 1
99 1 1 . . . . . . . . . 19 . HN parsed_2n1p 1
99 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
100 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
100 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
101 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
101 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1
102 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
102 1 2 . . . . . . . . . 22 . HB parsed_2n1p 1
103 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
103 1 2 . . . . . . . . . 22 . HG1# parsed_2n1p 1
104 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
104 1 2 . . . . . . . . . 22 . HG2# parsed_2n1p 1
105 1 1 . . . . . . . . . 19 . HA parsed_2n1p 1
105 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
106 1 1 . . . . . . . . . 20 . HN parsed_2n1p 1
106 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
107 1 1 . . . . . . . . . 20 . HA parsed_2n1p 1
107 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
108 1 1 . . . . . . . . . 20 . HB# parsed_2n1p 1
108 1 2 . . . . . . . . . 21 . HN parsed_2n1p 1
109 1 1 . . . . . . . . . 20 . HN parsed_2n1p 1
109 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1
110 1 1 . . . . . . . . . 20 . HA parsed_2n1p 1
110 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1
111 1 1 . . . . . . . . . 20 . HA parsed_2n1p 1
111 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
112 1 1 . . . . . . . . . 21 . HA1 parsed_2n1p 1
112 1 2 . . . . . . . . . 22 . HN parsed_2n1p 1
113 1 1 . . . . . . . . . 21 . HA1 parsed_2n1p 1
113 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
114 1 1 . . . . . . . . . 21 . HA2 parsed_2n1p 1
114 1 2 . . . . . . . . . 24 . HB parsed_2n1p 1
115 1 1 . . . . . . . . . 22 . HN parsed_2n1p 1
115 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
116 1 1 . . . . . . . . . 22 . HB parsed_2n1p 1
116 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
117 1 1 . . . . . . . . . 22 . HG1# parsed_2n1p 1
117 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
118 1 1 . . . . . . . . . 22 . HG2# parsed_2n1p 1
118 1 2 . . . . . . . . . 23 . HN parsed_2n1p 1
119 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1
119 1 2 . . . . . . . . . 24 . HN parsed_2n1p 1
120 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1
120 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1
121 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1
121 1 2 . . . . . . . . . 25 . HB1 parsed_2n1p 1
122 1 1 . . . . . . . . . 22 . HA parsed_2n1p 1
122 1 2 . . . . . . . . . 25 . HB2 parsed_2n1p 1
123 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1
123 1 2 . . . . . . . . . 24 . HN parsed_2n1p 1
124 1 1 . . . . . . . . . 23 . HN parsed_2n1p 1
124 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1
125 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1
125 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
126 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1
126 1 2 . . . . . . . . . 26 . HB1 parsed_2n1p 1
127 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1
127 1 2 . . . . . . . . . 26 . HB2 parsed_2n1p 1
128 1 1 . . . . . . . . . 23 . HA# parsed_2n1p 1
128 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
129 1 1 . . . . . . . . . 24 . HN parsed_2n1p 1
129 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1
130 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1
130 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1
131 1 1 . . . . . . . . . 24 . HB parsed_2n1p 1
131 1 2 . . . . . . . . . 25 . HN parsed_2n1p 1
132 1 1 . . . . . . . . . 24 . HN parsed_2n1p 1
132 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
133 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1
133 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
134 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1
134 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
135 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1
135 1 2 . . . . . . . . . 27 . HB1 parsed_2n1p 1
136 1 1 . . . . . . . . . 24 . HA parsed_2n1p 1
136 1 2 . . . . . . . . . 27 . HB2 parsed_2n1p 1
137 1 1 . . . . . . . . . 25 . HN parsed_2n1p 1
137 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
138 1 1 . . . . . . . . . 25 . HA parsed_2n1p 1
138 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
139 1 1 . . . . . . . . . 25 . HB2 parsed_2n1p 1
139 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
140 1 1 . . . . . . . . . 25 . HB1 parsed_2n1p 1
140 1 2 . . . . . . . . . 26 . HN parsed_2n1p 1
141 1 1 . . . . . . . . . 25 . HN parsed_2n1p 1
141 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
142 1 1 . . . . . . . . . 25 . HA parsed_2n1p 1
142 1 2 . . . . . . . . . 28 . HB1 parsed_2n1p 1
143 1 1 . . . . . . . . . 25 . HA parsed_2n1p 1
143 1 2 . . . . . . . . . 28 . HB2 parsed_2n1p 1
144 1 1 . . . . . . . . . 26 . HN parsed_2n1p 1
144 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
145 1 1 . . . . . . . . . 26 . HA parsed_2n1p 1
145 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
146 1 1 . . . . . . . . . 26 . HB2 parsed_2n1p 1
146 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
147 1 1 . . . . . . . . . 26 . HB1 parsed_2n1p 1
147 1 2 . . . . . . . . . 27 . HN parsed_2n1p 1
148 1 1 . . . . . . . . . 27 . HN parsed_2n1p 1
148 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1
149 1 1 . . . . . . . . . 27 . HN parsed_2n1p 1
149 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1
150 1 1 . . . . . . . . . 27 . HA parsed_2n1p 1
150 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1
151 1 1 . . . . . . . . . 27 . HA parsed_2n1p 1
151 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1
152 1 1 . . . . . . . . . 27 . HB1 parsed_2n1p 1
152 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1
153 1 1 . . . . . . . . . 27 . HB2 parsed_2n1p 1
153 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1
154 1 1 . . . . . . . . . 27 . HB1 parsed_2n1p 1
154 1 2 . . . . . . . . . 28 . HD2 parsed_2n1p 1
155 1 1 . . . . . . . . . 27 . HB2 parsed_2n1p 1
155 1 2 . . . . . . . . . 28 . HD1 parsed_2n1p 1
156 1 1 . . . . . . . . . 27 . HA parsed_2n1p 1
156 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
157 1 1 . . . . . . . . . 28 . HD1 parsed_2n1p 1
157 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
158 1 1 . . . . . . . . . 28 . HD2 parsed_2n1p 1
158 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
159 1 1 . . . . . . . . . 28 . HA parsed_2n1p 1
159 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
160 1 1 . . . . . . . . . 28 . HB1 parsed_2n1p 1
160 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
161 1 1 . . . . . . . . . 28 . HB2 parsed_2n1p 1
161 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
162 1 1 . . . . . . . . . 28 . HG1 parsed_2n1p 1
162 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
163 1 1 . . . . . . . . . 28 . HG2 parsed_2n1p 1
163 1 2 . . . . . . . . . 29 . HN parsed_2n1p 1
164 1 1 . . . . . . . . . 29 . HN parsed_2n1p 1
164 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1
165 1 1 . . . . . . . . . 29 . HA parsed_2n1p 1
165 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1
166 1 1 . . . . . . . . . 29 . HB1 parsed_2n1p 1
166 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1
167 1 1 . . . . . . . . . 29 . HB2 parsed_2n1p 1
167 1 2 . . . . . . . . . 30 . HN parsed_2n1p 1
168 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1
168 1 2 . . . . . . . . . 12 . HD1 parsed_2n1p 1
169 1 1 . . . . . . . . . 9 . HA parsed_2n1p 1
169 1 2 . . . . . . . . . 12 . HE1 parsed_2n1p 1
170 1 1 . . . . . . . . . 13 . HD* parsed_2n1p 1
170 1 2 . . . . . . . . . 15 . HD* parsed_2n1p 1
171 1 1 . . . . . . . . . 13 . HD* parsed_2n1p 1
171 1 2 . . . . . . . . . 16 . HD* parsed_2n1p 1
172 1 1 . . . . . . . . . 13 . HD* parsed_2n1p 1
172 1 2 . . . . . . . . . 17 . HD* parsed_2n1p 1
173 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1
173 1 2 . . . . . . . . . 16 . HD1# parsed_2n1p 1
174 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1
174 1 2 . . . . . . . . . 17 . HD1# parsed_2n1p 1
175 1 1 . . . . . . . . . 13 . HB# parsed_2n1p 1
175 1 2 . . . . . . . . . 16 . HDB2 parsed_2n1p 1
176 1 1 . . . . . . . . . 25 . HD* parsed_2n1p 1
176 1 2 . . . . . . . . . 26 . HD* parsed_2n1p 1
177 1 1 . . . . . . . . . 25 . HE* parsed_2n1p 1
177 1 2 . . . . . . . . . 26 . HD* parsed_2n1p 1
178 1 1 . . . . . . . . . 25 . HD* parsed_2n1p 1
178 1 2 . . . . . . . . . 28 . HG2 parsed_2n1p 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
2 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
3 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
4 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
5 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
6 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
7 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
8 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
9 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1
10 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
11 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
12 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
13 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
14 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
15 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
16 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
17 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
18 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
19 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
20 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
21 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
22 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
23 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
24 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
25 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
26 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
27 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
28 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
29 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
30 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
31 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
32 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
33 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
34 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
35 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
36 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
37 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
38 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
39 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
40 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
41 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
42 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
43 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
44 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
45 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
46 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
47 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
48 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
49 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
50 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
51 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
52 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
53 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
54 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
55 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
56 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
57 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
58 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
59 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1
60 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
61 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
62 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
63 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
64 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
65 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1
66 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
67 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
68 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
69 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1
70 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
71 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
72 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
73 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
74 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
75 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1
76 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
77 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
78 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
79 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
80 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
81 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
82 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
83 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
84 1 . . . . . 5.0 1.8 7.9 parsed_2n1p 1
85 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
86 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
87 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
88 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
89 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
90 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
91 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
92 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
93 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
94 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
95 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
96 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
97 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
98 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
99 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
100 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
101 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
102 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
103 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
104 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
105 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
106 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
107 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
108 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
109 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
110 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
111 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
112 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
113 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
114 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
115 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
116 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
117 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
118 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
119 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
120 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
121 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
122 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
123 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
124 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
125 1 . . . . . 3.9 1.8 5.3 parsed_2n1p 1
126 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
127 1 . . . . . 2.8 1.8 4.1 parsed_2n1p 1
128 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
129 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
130 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
131 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
132 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
133 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
134 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
135 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
136 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
137 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
138 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
139 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
140 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
141 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
142 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
143 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
144 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
145 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
146 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
147 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
148 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
149 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
150 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
151 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
152 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
153 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
154 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
155 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
156 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
157 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
158 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
159 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
160 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
161 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
162 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
163 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
164 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
165 1 . . . . . 3.9 1.8 4.3 parsed_2n1p 1
166 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
167 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
168 1 . . . . . 2.8 1.8 3.1 parsed_2n1p 1
169 1 . . . . . 5.0 1.8 5.5 parsed_2n1p 1
170 1 . . . . . 5.0 1.8 9.9 parsed_2n1p 1
171 1 . . . . . 2.8 1.8 7.5 parsed_2n1p 1
172 1 . . . . . 2.8 1.8 7.5 parsed_2n1p 1
173 1 . . . . . 5.0 1.8 7.5 parsed_2n1p 1
174 1 . . . . . 5.0 1.8 7.5 parsed_2n1p 1
175 1 . . . . . 5.0 1.8 6.5 parsed_2n1p 1
176 1 . . . . . 2.8 1.8 7.5 parsed_2n1p 1
177 1 . . . . . 3.9 1.8 8.7 parsed_2n1p 1
178 1 . . . . . 2.8 1.8 5.1 parsed_2n1p 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
;
============================================================================
> RESTRAINTS FROM ns5bc_noe_1ghz_list.txt
> SEQUENCE
HSVSHARPRWXWFSLLLLAAGVGIYLLPN
> DISTANCE RESTRAINTS
class | [lower limit, upper limits[ | distance restraint
--------+-------------------------------+---------------------
weak | 1 , 3 | 5.0
medium | 4 , 5 | 3.9
strong | 6 , 20 | 2.8
> CORRECTION FACTOR FOR PSEUDO-ATOMS
-CH2 = +1.0 A (ex.: HB# in F)
-Haromatic = +2.0 A (ex.: HD* in Y)
-CH3# = +1.0 A (ex.: HG2# in I)
-CH3* = +2.4 A (ex.: HD* in L)
============================================================================
<========== H1 ==========>
;
1 1 19 29 parsed_2n1p 1
2 "<========== S2 ==========>" 22 1 22 29 parsed_2n1p 1
3 "<========== V3 ==========>" 26 1 26 29 parsed_2n1p 1
4 "<========== S4 ==========>" 32 1 32 29 parsed_2n1p 1
5 "<========== H5 ==========>" 37 1 37 29 parsed_2n1p 1
6 "<========== A6 ==========>" 42 1 42 29 parsed_2n1p 1
7 "<========== R7 ==========>" 46 1 46 29 parsed_2n1p 1
8 "<========== P8 ==========>" 50 1 50 29 parsed_2n1p 1
9 "<========== R9 ==========>" 52 1 52 29 parsed_2n1p 1
10 "<========== W10 ==========>" 61 1 61 30 parsed_2n1p 1
11
;
<========== F11 ==========>
<========== W12 ==========>
;
63 1 64 30 parsed_2n1p 1
12 "<========== F13 ==========>" 72 1 72 30 parsed_2n1p 1
13 "<========== S14 ==========>" 81 1 81 30 parsed_2n1p 1
14 "<========== L15 ==========>" 93 1 93 30 parsed_2n1p 1
15 "<========== L16 ==========>" 104 1 104 30 parsed_2n1p 1
16 "<========== L17 ==========>" 115 1 115 30 parsed_2n1p 1
17 "<========== L18 ==========>" 124 1 124 30 parsed_2n1p 1
18 "<========== A19 ==========>" 132 1 132 30 parsed_2n1p 1
19 "<========== A20 ==========>" 143 1 143 30 parsed_2n1p 1
20 "<========== G21 ==========>" 150 1 150 30 parsed_2n1p 1
21 "<========== V22 ==========>" 154 1 154 30 parsed_2n1p 1
22 "<========== G23 ==========>" 163 1 163 30 parsed_2n1p 1
23 "<========== I24 ==========>" 170 1 170 30 parsed_2n1p 1
24 "<========== Y25 ==========>" 179 1 179 30 parsed_2n1p 1
25 "<========== L26 ==========>" 187 1 187 30 parsed_2n1p 1
26 "<========== L27 ==========>" 192 1 192 30 parsed_2n1p 1
27 "<========== P28 ==========>" 202 1 202 30 parsed_2n1p 1
28 "<========== N29 ==========>" 210 1 210 30 parsed_2n1p 1
29
;
<========== R30 ==========>
69
<========== W12 ==========>
;
215 1 217 30 parsed_2n1p 1
30 "<========== F13 ==========>" 220 1 220 30 parsed_2n1p 1
31 "<========== Y25 ==========>" 227 1 227 30 parsed_2n1p 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 dihedral reset" 230 79 230 103 parsed_2n1p 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n1p
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.7 -40.7 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2n1p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2n1p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n1p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 -23.8 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n1p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.2 -40.2 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2n1p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.8 -25.8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2n1p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.1 -44.1 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n1p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -27.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n1p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2n1p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 -27.8 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2n1p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2n1p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -24.2 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2n1p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n1p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -21.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n1p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n1p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n1p 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2n1p 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2n1p 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2n1p 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.5 -25.5 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2n1p 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.7 -38.7 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2n1p 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 -22.5 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2n1p 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2n1p 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -22.3 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2n1p 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.3 -43.3 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2n1p 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.8 -22.6 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2n1p 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2n1p 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -5.6 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2n1p 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -5.0 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2n1p 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.6 -48.8 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2n1p 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 5.2 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2n1p 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 end 64 1 64 3 parsed_2n1p 1
stop_
save_