NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
145039 |
2kdr   |
16122 | cing | 2-parsed | STAR | entry | full | 213 |
data_2kdr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kdr
_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_2kdr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kdr
_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 2kdr "Master copy" parsed_2kdr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kdr
_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 2kdr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kdr 1
1 2kdr.mr . . XPLOR/CNS 2 distance NOE simple 163 parsed_2kdr 1
1 2kdr.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 50 parsed_2kdr 1
1 2kdr.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kdr 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_2kdr
_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, MEMBRANE PROTEIN 15-JAN-09 2KDR
*TITLE SOLUTION STRUCTURE OF HCV NS4B(227-254)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 4B;
*COMPND 3 CHAIN: X;
*COMPND 4 FRAGMENT: UNP RESIDUES 1938-1965;
*COMPND 5 SYNONYM: NS4B, P27;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED BY SOLID-PHASE
*SOURCE 4 SYNTHESIS
*KEYWDS HCV, NS4B, 227-254 SEGMENT, MEMBRANOUS WEB, REPLICATION
*KEYWDS 2 COMPLEX, MEMBRANE, TRANSMEMBRANE, RNA-BINDING, PALMITATE,
*KEYWDS 3 VIRAL PROTEIN, MEMBRANE PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 27
*AUTHOR R.MONTSERRET, F.PENIN
*REVDAT 1 29-SEP-09 2KDR 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2kdr
_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_2kdr 1
2 1 . . . parsed_2kdr 1
3 1 . . . parsed_2kdr 1
4 1 . . . parsed_2kdr 1
5 1 . . . parsed_2kdr 1
6 1 . . . parsed_2kdr 1
7 1 . . . parsed_2kdr 1
8 1 . . . parsed_2kdr 1
9 1 . . . parsed_2kdr 1
10 1 . . . parsed_2kdr 1
11 1 . . . parsed_2kdr 1
12 1 . . . parsed_2kdr 1
13 1 . . . parsed_2kdr 1
14 1 . . . parsed_2kdr 1
15 1 . . . parsed_2kdr 1
16 1 . . . parsed_2kdr 1
17 1 . . . parsed_2kdr 1
18 1 . . . parsed_2kdr 1
19 1 . . . parsed_2kdr 1
20 1 . . . parsed_2kdr 1
21 1 . . . parsed_2kdr 1
22 1 . . . parsed_2kdr 1
23 1 . . . parsed_2kdr 1
24 1 . . . parsed_2kdr 1
25 1 . . . parsed_2kdr 1
26 1 . . . parsed_2kdr 1
27 1 . . . parsed_2kdr 1
28 1 . . . parsed_2kdr 1
29 1 . . . parsed_2kdr 1
30 1 . . . parsed_2kdr 1
31 1 . . . parsed_2kdr 1
32 1 . . . parsed_2kdr 1
33 1 . . . parsed_2kdr 1
34 1 . . . parsed_2kdr 1
35 1 . . . parsed_2kdr 1
36 1 . . . parsed_2kdr 1
37 1 . . . parsed_2kdr 1
38 1 . . . parsed_2kdr 1
39 1 . . . parsed_2kdr 1
40 1 . . . parsed_2kdr 1
41 1 . . . parsed_2kdr 1
42 1 . . . parsed_2kdr 1
43 1 . . . parsed_2kdr 1
44 1 . . . parsed_2kdr 1
45 1 . . . parsed_2kdr 1
46 1 . . . parsed_2kdr 1
47 1 . . . parsed_2kdr 1
48 1 . . . parsed_2kdr 1
49 1 . . . parsed_2kdr 1
50 1 . . . parsed_2kdr 1
51 1 . . . parsed_2kdr 1
52 1 . . . parsed_2kdr 1
53 1 . . . parsed_2kdr 1
54 1 . . . parsed_2kdr 1
55 1 . . . parsed_2kdr 1
56 1 . . . parsed_2kdr 1
57 1 . . . parsed_2kdr 1
58 1 . . . parsed_2kdr 1
59 1 . . . parsed_2kdr 1
60 1 . . . parsed_2kdr 1
61 1 . . . parsed_2kdr 1
62 1 . . . parsed_2kdr 1
63 1 . . . parsed_2kdr 1
64 1 . . . parsed_2kdr 1
65 1 . . . parsed_2kdr 1
66 1 . . . parsed_2kdr 1
67 1 . . . parsed_2kdr 1
68 1 . . . parsed_2kdr 1
69 1 . . . parsed_2kdr 1
70 1 . . . parsed_2kdr 1
71 1 . . . parsed_2kdr 1
72 1 . . . parsed_2kdr 1
73 1 . . . parsed_2kdr 1
74 1 . . . parsed_2kdr 1
75 1 . . . parsed_2kdr 1
76 1 . . . parsed_2kdr 1
77 1 . . . parsed_2kdr 1
78 1 . . . parsed_2kdr 1
79 1 . . . parsed_2kdr 1
80 1 . . . parsed_2kdr 1
81 1 . . . parsed_2kdr 1
82 1 . . . parsed_2kdr 1
83 1 . . . parsed_2kdr 1
84 1 . . . parsed_2kdr 1
85 1 . . . parsed_2kdr 1
86 1 . . . parsed_2kdr 1
87 1 . . . parsed_2kdr 1
88 1 . . . parsed_2kdr 1
89 1 . . . parsed_2kdr 1
90 1 . . . parsed_2kdr 1
91 1 . . . parsed_2kdr 1
92 1 . . . parsed_2kdr 1
93 1 . . . parsed_2kdr 1
94 1 . . . parsed_2kdr 1
95 1 . . . parsed_2kdr 1
96 1 . . . parsed_2kdr 1
97 1 . . . parsed_2kdr 1
98 1 . . . parsed_2kdr 1
99 1 . . . parsed_2kdr 1
100 1 . . . parsed_2kdr 1
101 1 . . . parsed_2kdr 1
102 1 . . . parsed_2kdr 1
103 1 . . . parsed_2kdr 1
104 1 . . . parsed_2kdr 1
105 1 . . . parsed_2kdr 1
106 1 . . . parsed_2kdr 1
107 1 . . . parsed_2kdr 1
108 1 . . . parsed_2kdr 1
109 1 . . . parsed_2kdr 1
110 1 . . . parsed_2kdr 1
111 1 . . . parsed_2kdr 1
112 1 . . . parsed_2kdr 1
113 1 . . . parsed_2kdr 1
114 1 . . . parsed_2kdr 1
115 1 . . . parsed_2kdr 1
116 1 . . . parsed_2kdr 1
117 1 . . . parsed_2kdr 1
118 1 . . . parsed_2kdr 1
119 1 . . . parsed_2kdr 1
120 1 . . . parsed_2kdr 1
121 1 . . . parsed_2kdr 1
122 1 . . . parsed_2kdr 1
123 1 . . . parsed_2kdr 1
124 1 . . . parsed_2kdr 1
125 1 . . . parsed_2kdr 1
126 1 . . . parsed_2kdr 1
127 1 . . . parsed_2kdr 1
128 1 . . . parsed_2kdr 1
129 1 . . . parsed_2kdr 1
130 1 . . . parsed_2kdr 1
131 1 . . . parsed_2kdr 1
132 1 . . . parsed_2kdr 1
133 1 . . . parsed_2kdr 1
134 1 . . . parsed_2kdr 1
135 1 . . . parsed_2kdr 1
136 1 . . . parsed_2kdr 1
137 1 . . . parsed_2kdr 1
138 1 . . . parsed_2kdr 1
139 1 . . . parsed_2kdr 1
140 1 . . . parsed_2kdr 1
141 1 . . . parsed_2kdr 1
142 1 . . . parsed_2kdr 1
143 1 . . . parsed_2kdr 1
144 1 . . . parsed_2kdr 1
145 1 . . . parsed_2kdr 1
146 1 . . . parsed_2kdr 1
147 1 . . . parsed_2kdr 1
148 1 . . . parsed_2kdr 1
149 1 . . . parsed_2kdr 1
150 1 . . . parsed_2kdr 1
151 1 . . . parsed_2kdr 1
152 1 . . . parsed_2kdr 1
153 1 . . . parsed_2kdr 1
154 1 . . . parsed_2kdr 1
155 1 . . . parsed_2kdr 1
156 1 . . . parsed_2kdr 1
157 1 . . . parsed_2kdr 1
158 1 . . . parsed_2kdr 1
159 1 . . . parsed_2kdr 1
160 1 . . . parsed_2kdr 1
161 1 . . . parsed_2kdr 1
162 1 . . . parsed_2kdr 1
163 1 . . . parsed_2kdr 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_2kdr 1
1 1 2 . . . . . . . . . 2 . HN parsed_2kdr 1
2 1 1 . . . . . . . . . 1 . HB2 parsed_2kdr 1
2 1 2 . . . . . . . . . 2 . HN parsed_2kdr 1
3 1 1 . . . . . . . . . 1 . HB1 parsed_2kdr 1
3 1 2 . . . . . . . . . 2 . HN parsed_2kdr 1
4 1 1 . . . . . . . . . 2 . HN parsed_2kdr 1
4 1 2 . . . . . . . . . 3 . HN parsed_2kdr 1
5 1 1 . . . . . . . . . 2 . HB# parsed_2kdr 1
5 1 2 . . . . . . . . . 3 . HN parsed_2kdr 1
6 1 1 . . . . . . . . . 3 . HN parsed_2kdr 1
6 1 2 . . . . . . . . . 4 . HN parsed_2kdr 1
7 1 1 . . . . . . . . . 3 . HB# parsed_2kdr 1
7 1 2 . . . . . . . . . 4 . HN parsed_2kdr 1
8 1 1 . . . . . . . . . 4 . HN parsed_2kdr 1
8 1 2 . . . . . . . . . 5 . HN parsed_2kdr 1
9 1 1 . . . . . . . . . 4 . HB# parsed_2kdr 1
9 1 2 . . . . . . . . . 5 . HN parsed_2kdr 1
10 1 1 . . . . . . . . . 4 . HN parsed_2kdr 1
10 1 2 . . . . . . . . . 6 . HN parsed_2kdr 1
11 1 1 . . . . . . . . . 4 . HA parsed_2kdr 1
11 1 2 . . . . . . . . . 7 . HB parsed_2kdr 1
12 1 1 . . . . . . . . . 5 . HN parsed_2kdr 1
12 1 2 . . . . . . . . . 6 . HN parsed_2kdr 1
13 1 1 . . . . . . . . . 5 . HB# parsed_2kdr 1
13 1 2 . . . . . . . . . 6 . HN parsed_2kdr 1
14 1 1 . . . . . . . . . 5 . HN parsed_2kdr 1
14 1 2 . . . . . . . . . 7 . HN parsed_2kdr 1
15 1 1 . . . . . . . . . 5 . HA parsed_2kdr 1
15 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
16 1 1 . . . . . . . . . 5 . HA parsed_2kdr 1
16 1 2 . . . . . . . . . 8 . HB parsed_2kdr 1
17 1 1 . . . . . . . . . 5 . HA parsed_2kdr 1
17 1 2 . . . . . . . . . 8 . HG2# parsed_2kdr 1
18 1 1 . . . . . . . . . 6 . HN parsed_2kdr 1
18 1 2 . . . . . . . . . 7 . HN parsed_2kdr 1
19 1 1 . . . . . . . . . 6 . HA parsed_2kdr 1
19 1 2 . . . . . . . . . 7 . HN parsed_2kdr 1
20 1 1 . . . . . . . . . 6 . HB# parsed_2kdr 1
20 1 2 . . . . . . . . . 7 . HN parsed_2kdr 1
21 1 1 . . . . . . . . . 6 . HN parsed_2kdr 1
21 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
22 1 1 . . . . . . . . . 6 . HA parsed_2kdr 1
22 1 2 . . . . . . . . . 9 . HN parsed_2kdr 1
23 1 1 . . . . . . . . . 6 . HA parsed_2kdr 1
23 1 2 . . . . . . . . . 9 . HB# parsed_2kdr 1
24 1 1 . . . . . . . . . 7 . HN parsed_2kdr 1
24 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
25 1 1 . . . . . . . . . 7 . HA parsed_2kdr 1
25 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
26 1 1 . . . . . . . . . 7 . HB parsed_2kdr 1
26 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
27 1 1 . . . . . . . . . 7 . HG2# parsed_2kdr 1
27 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
28 1 1 . . . . . . . . . 7 . HG1# parsed_2kdr 1
28 1 2 . . . . . . . . . 8 . HN parsed_2kdr 1
29 1 1 . . . . . . . . . 7 . HN parsed_2kdr 1
29 1 2 . . . . . . . . . 9 . HN parsed_2kdr 1
30 1 1 . . . . . . . . . 7 . HA parsed_2kdr 1
30 1 2 . . . . . . . . . 9 . HN parsed_2kdr 1
31 1 1 . . . . . . . . . 7 . HA parsed_2kdr 1
31 1 2 . . . . . . . . . 10 . HN parsed_2kdr 1
32 1 1 . . . . . . . . . 7 . HA parsed_2kdr 1
32 1 2 . . . . . . . . . 10 . HB parsed_2kdr 1
33 1 1 . . . . . . . . . 7 . HA parsed_2kdr 1
33 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
34 1 1 . . . . . . . . . 8 . HA parsed_2kdr 1
34 1 2 . . . . . . . . . 9 . HN parsed_2kdr 1
35 1 1 . . . . . . . . . 8 . HB parsed_2kdr 1
35 1 2 . . . . . . . . . 9 . HN parsed_2kdr 1
36 1 1 . . . . . . . . . 8 . HG2# parsed_2kdr 1
36 1 2 . . . . . . . . . 9 . HN parsed_2kdr 1
37 1 1 . . . . . . . . . 8 . HA parsed_2kdr 1
37 1 2 . . . . . . . . . 10 . HN parsed_2kdr 1
38 1 1 . . . . . . . . . 8 . HA parsed_2kdr 1
38 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
39 1 1 . . . . . . . . . 8 . HA parsed_2kdr 1
39 1 2 . . . . . . . . . 11 . HB2 parsed_2kdr 1
40 1 1 . . . . . . . . . 9 . HN parsed_2kdr 1
40 1 2 . . . . . . . . . 10 . HN parsed_2kdr 1
41 1 1 . . . . . . . . . 9 . HA parsed_2kdr 1
41 1 2 . . . . . . . . . 10 . HN parsed_2kdr 1
42 1 1 . . . . . . . . . 9 . HB# parsed_2kdr 1
42 1 2 . . . . . . . . . 10 . HN parsed_2kdr 1
43 1 1 . . . . . . . . . 9 . HN parsed_2kdr 1
43 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
44 1 1 . . . . . . . . . 9 . HA parsed_2kdr 1
44 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
45 1 1 . . . . . . . . . 9 . HA parsed_2kdr 1
45 1 2 . . . . . . . . . 12 . HN parsed_2kdr 1
46 1 1 . . . . . . . . . 9 . HA parsed_2kdr 1
46 1 2 . . . . . . . . . 13 . HN parsed_2kdr 1
47 1 1 . . . . . . . . . 10 . HN parsed_2kdr 1
47 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
48 1 1 . . . . . . . . . 10 . HA parsed_2kdr 1
48 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
49 1 1 . . . . . . . . . 10 . HB parsed_2kdr 1
49 1 2 . . . . . . . . . 11 . HN parsed_2kdr 1
50 1 1 . . . . . . . . . 10 . HA parsed_2kdr 1
50 1 2 . . . . . . . . . 13 . HN parsed_2kdr 1
51 1 1 . . . . . . . . . 10 . HA parsed_2kdr 1
51 1 2 . . . . . . . . . 14 . HN parsed_2kdr 1
52 1 1 . . . . . . . . . 11 . HN parsed_2kdr 1
52 1 2 . . . . . . . . . 12 . HN parsed_2kdr 1
53 1 1 . . . . . . . . . 11 . HA parsed_2kdr 1
53 1 2 . . . . . . . . . 12 . HN parsed_2kdr 1
54 1 1 . . . . . . . . . 11 . HB2 parsed_2kdr 1
54 1 2 . . . . . . . . . 12 . HN parsed_2kdr 1
55 1 1 . . . . . . . . . 11 . HB1 parsed_2kdr 1
55 1 2 . . . . . . . . . 12 . HN parsed_2kdr 1
56 1 1 . . . . . . . . . 11 . HA parsed_2kdr 1
56 1 2 . . . . . . . . . 13 . HN parsed_2kdr 1
57 1 1 . . . . . . . . . 12 . HN parsed_2kdr 1
57 1 2 . . . . . . . . . 13 . HN parsed_2kdr 1
58 1 1 . . . . . . . . . 12 . HA parsed_2kdr 1
58 1 2 . . . . . . . . . 13 . HN parsed_2kdr 1
59 1 1 . . . . . . . . . 12 . HB# parsed_2kdr 1
59 1 2 . . . . . . . . . 13 . HN parsed_2kdr 1
60 1 1 . . . . . . . . . 13 . HB1 parsed_2kdr 1
60 1 2 . . . . . . . . . 14 . HN parsed_2kdr 1
61 1 1 . . . . . . . . . 13 . HN parsed_2kdr 1
61 1 2 . . . . . . . . . 14 . HN parsed_2kdr 1
62 1 1 . . . . . . . . . 13 . HA parsed_2kdr 1
62 1 2 . . . . . . . . . 16 . HN parsed_2kdr 1
63 1 1 . . . . . . . . . 13 . HA parsed_2kdr 1
63 1 2 . . . . . . . . . 16 . HB parsed_2kdr 1
64 1 1 . . . . . . . . . 13 . HA parsed_2kdr 1
64 1 2 . . . . . . . . . 16 . HG1# parsed_2kdr 1
65 1 1 . . . . . . . . . 13 . HA parsed_2kdr 1
65 1 2 . . . . . . . . . 16 . HG2# parsed_2kdr 1
66 1 1 . . . . . . . . . 13 . HA parsed_2kdr 1
66 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
67 1 1 . . . . . . . . . 14 . HN parsed_2kdr 1
67 1 2 . . . . . . . . . 15 . HN parsed_2kdr 1
68 1 1 . . . . . . . . . 14 . HA parsed_2kdr 1
68 1 2 . . . . . . . . . 15 . HN parsed_2kdr 1
69 1 1 . . . . . . . . . 14 . HB1 parsed_2kdr 1
69 1 2 . . . . . . . . . 15 . HN parsed_2kdr 1
70 1 1 . . . . . . . . . 14 . HB2 parsed_2kdr 1
70 1 2 . . . . . . . . . 15 . HN parsed_2kdr 1
71 1 1 . . . . . . . . . 14 . HD* parsed_2kdr 1
71 1 2 . . . . . . . . . 15 . HN parsed_2kdr 1
72 1 1 . . . . . . . . . 14 . HN parsed_2kdr 1
72 1 2 . . . . . . . . . 16 . HN parsed_2kdr 1
73 1 1 . . . . . . . . . 14 . HA parsed_2kdr 1
73 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
74 1 1 . . . . . . . . . 14 . HA parsed_2kdr 1
74 1 2 . . . . . . . . . 17 . HB parsed_2kdr 1
75 1 1 . . . . . . . . . 15 . HN parsed_2kdr 1
75 1 2 . . . . . . . . . 16 . HN parsed_2kdr 1
76 1 1 . . . . . . . . . 15 . HA parsed_2kdr 1
76 1 2 . . . . . . . . . 16 . HN parsed_2kdr 1
77 1 1 . . . . . . . . . 15 . HB parsed_2kdr 1
77 1 2 . . . . . . . . . 16 . HN parsed_2kdr 1
78 1 1 . . . . . . . . . 15 . HG2# parsed_2kdr 1
78 1 2 . . . . . . . . . 16 . HN parsed_2kdr 1
79 1 1 . . . . . . . . . 15 . HA parsed_2kdr 1
79 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
80 1 1 . . . . . . . . . 15 . HA parsed_2kdr 1
80 1 2 . . . . . . . . . 18 . HB2 parsed_2kdr 1
81 1 1 . . . . . . . . . 15 . HA parsed_2kdr 1
81 1 2 . . . . . . . . . 18 . HB1 parsed_2kdr 1
82 1 1 . . . . . . . . . 15 . HA parsed_2kdr 1
82 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
83 1 1 . . . . . . . . . 16 . HN parsed_2kdr 1
83 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
84 1 1 . . . . . . . . . 16 . HA parsed_2kdr 1
84 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
85 1 1 . . . . . . . . . 16 . HB parsed_2kdr 1
85 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
86 1 1 . . . . . . . . . 16 . HG1# parsed_2kdr 1
86 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
87 1 1 . . . . . . . . . 16 . HG2# parsed_2kdr 1
87 1 2 . . . . . . . . . 17 . HN parsed_2kdr 1
88 1 1 . . . . . . . . . 16 . HN parsed_2kdr 1
88 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
89 1 1 . . . . . . . . . 16 . HA parsed_2kdr 1
89 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
90 1 1 . . . . . . . . . 16 . HA parsed_2kdr 1
90 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
91 1 1 . . . . . . . . . 16 . HA parsed_2kdr 1
91 1 2 . . . . . . . . . 19 . HB# parsed_2kdr 1
92 1 1 . . . . . . . . . 16 . HA parsed_2kdr 1
92 1 2 . . . . . . . . . 19 . HG parsed_2kdr 1
93 1 1 . . . . . . . . . 16 . HA parsed_2kdr 1
93 1 2 . . . . . . . . . 20 . HN parsed_2kdr 1
94 1 1 . . . . . . . . . 17 . HN parsed_2kdr 1
94 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
95 1 1 . . . . . . . . . 17 . HA parsed_2kdr 1
95 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
96 1 1 . . . . . . . . . 17 . HB parsed_2kdr 1
96 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
97 1 1 . . . . . . . . . 17 . HG2# parsed_2kdr 1
97 1 2 . . . . . . . . . 18 . HN parsed_2kdr 1
98 1 1 . . . . . . . . . 17 . HA parsed_2kdr 1
98 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
99 1 1 . . . . . . . . . 17 . HA parsed_2kdr 1
99 1 2 . . . . . . . . . 20 . HN parsed_2kdr 1
100 1 1 . . . . . . . . . 17 . HA parsed_2kdr 1
100 1 2 . . . . . . . . . 20 . HB2 parsed_2kdr 1
101 1 1 . . . . . . . . . 17 . HA parsed_2kdr 1
101 1 2 . . . . . . . . . 20 . HB1 parsed_2kdr 1
102 1 1 . . . . . . . . . 17 . HA parsed_2kdr 1
102 1 2 . . . . . . . . . 21 . HN parsed_2kdr 1
103 1 1 . . . . . . . . . 18 . HN parsed_2kdr 1
103 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
104 1 1 . . . . . . . . . 18 . HA parsed_2kdr 1
104 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
105 1 1 . . . . . . . . . 18 . HB1 parsed_2kdr 1
105 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
106 1 1 . . . . . . . . . 18 . HB2 parsed_2kdr 1
106 1 2 . . . . . . . . . 19 . HN parsed_2kdr 1
107 1 1 . . . . . . . . . 18 . HN parsed_2kdr 1
107 1 2 . . . . . . . . . 20 . HN parsed_2kdr 1
108 1 1 . . . . . . . . . 18 . HA parsed_2kdr 1
108 1 2 . . . . . . . . . 21 . HN parsed_2kdr 1
109 1 1 . . . . . . . . . 18 . HA parsed_2kdr 1
109 1 2 . . . . . . . . . 22 . HN parsed_2kdr 1
110 1 1 . . . . . . . . . 19 . HN parsed_2kdr 1
110 1 2 . . . . . . . . . 20 . HN parsed_2kdr 1
111 1 1 . . . . . . . . . 19 . HB# parsed_2kdr 1
111 1 2 . . . . . . . . . 20 . HN parsed_2kdr 1
112 1 1 . . . . . . . . . 20 . HN parsed_2kdr 1
112 1 2 . . . . . . . . . 21 . HN parsed_2kdr 1
113 1 1 . . . . . . . . . 20 . HA parsed_2kdr 1
113 1 2 . . . . . . . . . 21 . HN parsed_2kdr 1
114 1 1 . . . . . . . . . 20 . HB1 parsed_2kdr 1
114 1 2 . . . . . . . . . 21 . HN parsed_2kdr 1
115 1 1 . . . . . . . . . 20 . HN parsed_2kdr 1
115 1 2 . . . . . . . . . 22 . HN parsed_2kdr 1
116 1 1 . . . . . . . . . 20 . HA parsed_2kdr 1
116 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
117 1 1 . . . . . . . . . 20 . HA parsed_2kdr 1
117 1 2 . . . . . . . . . 23 . HB1 parsed_2kdr 1
118 1 1 . . . . . . . . . 21 . HN parsed_2kdr 1
118 1 2 . . . . . . . . . 22 . HN parsed_2kdr 1
119 1 1 . . . . . . . . . 21 . HA parsed_2kdr 1
119 1 2 . . . . . . . . . 22 . HN parsed_2kdr 1
120 1 1 . . . . . . . . . 21 . HN parsed_2kdr 1
120 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
121 1 1 . . . . . . . . . 21 . HA parsed_2kdr 1
121 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
122 1 1 . . . . . . . . . 21 . HA parsed_2kdr 1
122 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
123 1 1 . . . . . . . . . 21 . HA parsed_2kdr 1
123 1 2 . . . . . . . . . 24 . HB# parsed_2kdr 1
124 1 1 . . . . . . . . . 22 . HN parsed_2kdr 1
124 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
125 1 1 . . . . . . . . . 22 . HA parsed_2kdr 1
125 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
126 1 1 . . . . . . . . . 22 . HB2 parsed_2kdr 1
126 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
127 1 1 . . . . . . . . . 22 . HB1 parsed_2kdr 1
127 1 2 . . . . . . . . . 23 . HN parsed_2kdr 1
128 1 1 . . . . . . . . . 22 . HN parsed_2kdr 1
128 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
129 1 1 . . . . . . . . . 22 . HA parsed_2kdr 1
129 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
130 1 1 . . . . . . . . . 22 . HA parsed_2kdr 1
130 1 2 . . . . . . . . . 25 . HB2 parsed_2kdr 1
131 1 1 . . . . . . . . . 22 . HA parsed_2kdr 1
131 1 2 . . . . . . . . . 25 . HB1 parsed_2kdr 1
132 1 1 . . . . . . . . . 22 . HA parsed_2kdr 1
132 1 2 . . . . . . . . . 26 . HN parsed_2kdr 1
133 1 1 . . . . . . . . . 23 . HN parsed_2kdr 1
133 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
134 1 1 . . . . . . . . . 23 . HA parsed_2kdr 1
134 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
135 1 1 . . . . . . . . . 23 . HB1 parsed_2kdr 1
135 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
136 1 1 . . . . . . . . . 23 . HB2 parsed_2kdr 1
136 1 2 . . . . . . . . . 24 . HN parsed_2kdr 1
137 1 1 . . . . . . . . . 23 . HN parsed_2kdr 1
137 1 2 . . . . . . . . . 25 . HN parsed_2kdr 1
138 1 1 . . . . . . . . . 23 . HA parsed_2kdr 1
138 1 2 . . . . . . . . . 26 . HN parsed_2kdr 1
139 1 1 . . . . . . . . . 23 . HA parsed_2kdr 1
139 1 2 . . . . . . . . . 26 . HB2 parsed_2kdr 1
140 1 1 . . . . . . . . . 23 . HA parsed_2kdr 1
140 1 2 . . . . . . . . . 26 . HB1 parsed_2kdr 1
141 1 1 . . . . . . . . . 23 . HA parsed_2kdr 1
141 1 2 . . . . . . . . . 27 . HN parsed_2kdr 1
142 1 1 . . . . . . . . . 24 . HN parsed_2kdr 1
142 1 2 . . . . . . . . . 25 . HN parsed_2kdr 1
143 1 1 . . . . . . . . . 24 . HA parsed_2kdr 1
143 1 2 . . . . . . . . . 25 . HN parsed_2kdr 1
144 1 1 . . . . . . . . . 24 . HB# parsed_2kdr 1
144 1 2 . . . . . . . . . 25 . HN parsed_2kdr 1
145 1 1 . . . . . . . . . 24 . HA parsed_2kdr 1
145 1 2 . . . . . . . . . 27 . HN parsed_2kdr 1
146 1 1 . . . . . . . . . 24 . HA parsed_2kdr 1
146 1 2 . . . . . . . . . 27 . HB parsed_2kdr 1
147 1 1 . . . . . . . . . 24 . HA parsed_2kdr 1
147 1 2 . . . . . . . . . 27 . HG12 parsed_2kdr 1
148 1 1 . . . . . . . . . 24 . HA parsed_2kdr 1
148 1 2 . . . . . . . . . 27 . HD1# parsed_2kdr 1
149 1 1 . . . . . . . . . 24 . HA parsed_2kdr 1
149 1 2 . . . . . . . . . 27 . HG2# parsed_2kdr 1
150 1 1 . . . . . . . . . 25 . HN parsed_2kdr 1
150 1 2 . . . . . . . . . 26 . HN parsed_2kdr 1
151 1 1 . . . . . . . . . 25 . HA parsed_2kdr 1
151 1 2 . . . . . . . . . 26 . HN parsed_2kdr 1
152 1 1 . . . . . . . . . 25 . HB1 parsed_2kdr 1
152 1 2 . . . . . . . . . 26 . HN parsed_2kdr 1
153 1 1 . . . . . . . . . 25 . HB2 parsed_2kdr 1
153 1 2 . . . . . . . . . 26 . HN parsed_2kdr 1
154 1 1 . . . . . . . . . 25 . HA parsed_2kdr 1
154 1 2 . . . . . . . . . 27 . HN parsed_2kdr 1
155 1 1 . . . . . . . . . 25 . HA parsed_2kdr 1
155 1 2 . . . . . . . . . 28 . HN parsed_2kdr 1
156 1 1 . . . . . . . . . 26 . HB2 parsed_2kdr 1
156 1 2 . . . . . . . . . 27 . HN parsed_2kdr 1
157 1 1 . . . . . . . . . 26 . HB1 parsed_2kdr 1
157 1 2 . . . . . . . . . 27 . HN parsed_2kdr 1
158 1 1 . . . . . . . . . 26 . HN parsed_2kdr 1
158 1 2 . . . . . . . . . 28 . HN parsed_2kdr 1
159 1 1 . . . . . . . . . 27 . HN parsed_2kdr 1
159 1 2 . . . . . . . . . 28 . HN parsed_2kdr 1
160 1 1 . . . . . . . . . 27 . HA parsed_2kdr 1
160 1 2 . . . . . . . . . 28 . HN parsed_2kdr 1
161 1 1 . . . . . . . . . 27 . HB parsed_2kdr 1
161 1 2 . . . . . . . . . 28 . HN parsed_2kdr 1
162 1 1 . . . . . . . . . 27 . HG12 parsed_2kdr 1
162 1 2 . . . . . . . . . 28 . HN parsed_2kdr 1
163 1 1 . . . . . . . . . 27 . HG2# parsed_2kdr 1
163 1 2 . . . . . . . . . 28 . HN parsed_2kdr 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 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
2 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
3 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
4 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
5 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
6 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
7 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
8 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
9 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
10 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
11 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
12 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
13 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
14 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
15 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
16 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
17 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
18 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
19 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
20 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
21 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
22 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
23 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
24 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
25 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
26 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
27 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
28 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
29 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
30 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
31 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
32 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
33 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
34 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
35 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
36 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
37 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
38 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
39 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
40 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
41 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
42 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
43 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
44 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
45 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
46 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
47 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
48 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
49 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
50 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
51 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
52 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
53 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
54 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
55 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
56 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
57 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
58 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
59 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
60 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
61 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
62 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
63 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
64 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
65 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
66 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
67 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
68 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
69 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
70 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
71 1 . . . . . 5.0 1.8 7.9 parsed_2kdr 1
72 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
73 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
74 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
75 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
76 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
77 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
78 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
79 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
80 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
81 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
82 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
83 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
84 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
85 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
86 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
87 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
88 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
89 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
90 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
91 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
92 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
93 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
94 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
95 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
96 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
97 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 1
98 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
99 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
100 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
101 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
102 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
103 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
104 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
105 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
106 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
107 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
108 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
109 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
110 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
111 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
112 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
113 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
114 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
115 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
116 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
117 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
118 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
119 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
120 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
121 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
122 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
123 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
124 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
125 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
126 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
127 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
128 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
129 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
130 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
131 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
132 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
133 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
134 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
135 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
136 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
137 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
138 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
139 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
140 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
141 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
142 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
143 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
144 1 . . . . . 2.8 1.8 4.1 parsed_2kdr 1
145 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
146 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
147 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
148 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
149 1 . . . . . 3.9 1.8 5.3 parsed_2kdr 1
150 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
151 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
152 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
153 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
154 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
155 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
156 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
157 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
158 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
159 1 . . . . . 2.8 1.8 3.1 parsed_2kdr 1
160 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
161 1 . . . . . 3.9 1.8 4.3 parsed_2kdr 1
162 1 . . . . . 5.0 1.8 5.5 parsed_2kdr 1
163 1 . . . . . 5.0 1.8 6.5 parsed_2kdr 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 s26stfe50
> SEQUENCE
SDAAARVTAILSSLTVTQLLRRLHQWIS
> CORRECTION FACTOR FOR PSEUDO-ATOMS
-CH2# = +1.0 A (ex.: HB# in F)
-CH3# = +1.0 A (ex.: HG2# in I)
-Haromatic# = +2.0 A (ex.: HD* in Y)
-CH3* = +2.4 A (ex.: HD* in L)
-Haromatic* = +2.4 A (ex.: H* in F)
============================================================================
<========== S1 ==========>
;
1 1 14 35 parsed_2kdr 1
2 "<========== D2 ==========>" 18 1 19 35 parsed_2kdr 1
3 "<========== A3 ==========>" 22 1 23 35 parsed_2kdr 1
4 "<========== A4 ==========>" 26 1 27 35 parsed_2kdr 1
5 "<========== A5 ==========>" 32 1 33 35 parsed_2kdr 1
6 "<========== R6 ==========>" 40 1 41 35 parsed_2kdr 1
7 "<========== V7 ==========>" 48 1 49 35 parsed_2kdr 1
8 "<========== T8 ==========>" 60 1 61 35 parsed_2kdr 1
9 "<========== A9 ==========>" 68 1 69 35 parsed_2kdr 1
10 "<========== I10 ==========>" 77 1 78 36 parsed_2kdr 1
11
;
!!verrouillage supplementaire du run s26s_6:
assign (resid 10 and name HA )(resid 13 and name HB# ) 3.9 2.1 1.4
;
83 1 84 80 parsed_2kdr 1
12 "<========== L11 ==========>" 86 1 87 36 parsed_2kdr 1
13 "ssign (resid 11 and name HN )(resid 13 and name HN )" 92 1 92 66 parsed_2kdr 1
14 "<========== S12 ==========>" 94 1 95 36 parsed_2kdr 1
15 "<========== S13 ==========>" 99 1 100 36 parsed_2kdr 1
16
;
s26s_2
ssign (resid 13 and name HA )(resid 16 and name HG1# ) 3.9 2.1 1.4
ssign (resid 13 and name HA )(resid 16 and name HG2# ) 3.9 2.1 1.4
;
107 1 109 79 parsed_2kdr 1
17 "<========== L14 ==========>" 111 1 112 36 parsed_2kdr 1
18 "<========== T15 ==========>" 121 1 122 36 parsed_2kdr 1
19 s26s_3 128 1 128 8 parsed_2kdr 1
20 "<========== V16 ==========>" 132 1 133 36 parsed_2kdr 1
21
;
s26s_2
ssign (resid 16 and name HA )(resid 19 and name HG ) 3.9 2.1 0.4
ssign (resid 16 and name HA )(resid 20 and name HN ) 3.9 2.1 0.4
<========== T17 ==========>
;
145 1 149 36 parsed_2kdr 1
22
;
s26s_3
ssign (resid 17 and name HA )(resid 19 and name HN ) 3.9 2.1 0.4
;
155 1 156 79 parsed_2kdr 1
23 "<========== Q18 ==========>" 161 1 162 36 parsed_2kdr 1
24 "<========== L19 ==========>" 170 1 171 36 parsed_2kdr 1
25 "<========== L20 ==========>" 174 1 175 36 parsed_2kdr 1
26 s26s_3 181 1 181 8 parsed_2kdr 1
27 "<========== R21 ==========>" 183 1 184 36 parsed_2kdr 1
28 "<========== R22 ==========>" 191 1 192 36 parsed_2kdr 1
29 "<========== L23 ==========>" 202 1 203 36 parsed_2kdr 1
30 "<========== H24 ==========>" 213 1 214 36 parsed_2kdr 1
31 "<========== Q25 ==========>" 223 1 224 36 parsed_2kdr 1
32 "<========== W26 ==========>" 231 1 232 36 parsed_2kdr 1
33 "<========== I27 ==========>" 236 1 237 36 parsed_2kdr 1
34 "<========== S28 ==========>" 243 1 244 2 parsed_2kdr 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kdr
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -52.6 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2kdr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.9 -31.1 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2kdr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.6 -56.2 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2kdr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.3 -40.5 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2kdr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.8 -59.2 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2kdr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.1 -34.7 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2kdr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.5 -59.9 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2kdr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.1 -36.7 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2kdr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.5 -54.3 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2kdr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.5 -40.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2kdr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.6 -59.2 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2kdr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -39.4 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2kdr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -55.6 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2kdr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -34.2 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2kdr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 -57.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2kdr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.5 -40.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2kdr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -55.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2kdr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.1 -41.5 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2kdr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.5 -58.9 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2kdr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.1 -33.1 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2kdr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.3 -58.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2kdr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.6 -33.6 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2kdr 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.5 -59.7 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2kdr 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.7 -36.1 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2kdr 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.1 -53.9 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2kdr 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.6 -41.6 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2kdr 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 -55.5 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2kdr 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.6 -42.6 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2kdr 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 -60.8 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2kdr 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.9 -39.7 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2kdr 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.0 -56.4 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2kdr 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -41.2 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2kdr 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.9 -54.9 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2kdr 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.4 -37.8 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2kdr 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.8 -56.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2kdr 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -41.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2kdr 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.1 -58.3 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2kdr 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.5 -32.7 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2kdr 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.6 -61.6 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2kdr 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.8 -37.6 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2kdr 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 -57.0 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2kdr 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -34.2 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2kdr 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -55.2 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2kdr 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 -40.1 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2kdr 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -58.0 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2kdr 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -35.2 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2kdr 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.2 -58.2 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2kdr 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.2 -25.8 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2kdr 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -63.8 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2kdr 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -29.2 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2kdr 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
;
=======================================================
== Generation automatique des fichiers X-PLOR ==
== (c) IBCP-CNRS UPR 412, Lyon ==
=======================================================
;
1 1 5 2 parsed_2kdr 1
2
;
Angles Phi et Psi
3A
;
9 1 13 4 parsed_2kdr 1
3 4A 18 1 18 4 parsed_2kdr 1
4 5A 23 1 23 4 parsed_2kdr 1
5 6R 28 1 28 4 parsed_2kdr 1
6 7V 33 1 33 4 parsed_2kdr 1
7 8T 38 1 38 4 parsed_2kdr 1
8 9A 43 1 43 4 parsed_2kdr 1
9 10I 48 1 48 5 parsed_2kdr 1
10 11L 53 1 53 5 parsed_2kdr 1
11 12S 58 1 58 5 parsed_2kdr 1
12 13S 63 1 63 5 parsed_2kdr 1
13 14L 68 1 68 5 parsed_2kdr 1
14 15T 73 1 73 5 parsed_2kdr 1
15 16V 78 1 78 5 parsed_2kdr 1
16 17T 83 1 83 5 parsed_2kdr 1
17 18Q 88 1 88 5 parsed_2kdr 1
18 19L 93 1 93 5 parsed_2kdr 1
19 20L 98 1 98 5 parsed_2kdr 1
20 21R 103 1 103 5 parsed_2kdr 1
21 22R 108 1 108 5 parsed_2kdr 1
22 23L 113 1 113 5 parsed_2kdr 1
23 24H 118 1 118 5 parsed_2kdr 1
24 25Q 123 1 123 5 parsed_2kdr 1
25 26W 128 1 128 5 parsed_2kdr 1
26 27I 133 1 133 5 parsed_2kdr 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
;
restraints dihedral reset
!
nassign= 2000
;
6 1 8 14 parsed_2kdr 1
2 end 139 1 139 3 parsed_2kdr 1
stop_
save_
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