NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
37067 |
1p0j   |
cing | 2-parsed | STAR | entry | full | 151 |
data_1p0j_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1p0j
_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_1p0j 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1p0j
_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 1p0j "Master copy" parsed_1p0j
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1p0j
_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 1p0j.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1p0j 1
1 1p0j.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1p0j 1
1 1p0j.mr . . XPLOR/CNS 3 distance NOE simple 136 parsed_1p0j 1
1 1p0j.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1p0j 1
1 1p0j.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 15 parsed_1p0j 1
1 1p0j.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1p0j 1
1 1p0j.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1p0j 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_1p0j
_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 RIBOSOME 10-APR-03 1P0J
*TITLE HP (2-20) SUBSTITUTION ASP TO TRP MODIFICATION IN SDS-D25
*TITLE 2 MICELLES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: 19-MER PEPTIDE FROM 50S RIBOSOMAL PROTEIN L1;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: RIBOSOMAL PROTEIN L1;
*COMPND 5 ENGINEERED: YES;
*COMPND 6 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.
*SOURCE 4 THE SEQUENCE FOR THIS PEPTIDE WHICH N-TERMINUS OF
*SOURCE 5 HELICOBACTER PYLORI RIBOSOMAL PROTEIN L1
*KEYWDS COIL-HELIX-COIL
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR K.H.LEE, D.G.LEE, Y.K.PARK, K.S.HARM, Y.M.KIM
*REVDAT 1 20-MAY-03 1P0J 0
;
save_
save_MR_file_comment_2
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1p0j
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 2
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
set message=off echo=off end
;
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1p0j
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_1p0j 1
2 1 . . . parsed_1p0j 1
3 1 . . . parsed_1p0j 1
4 1 . . . parsed_1p0j 1
5 1 . . . parsed_1p0j 1
6 1 . . . parsed_1p0j 1
7 1 . . . parsed_1p0j 1
8 1 . . . parsed_1p0j 1
9 1 . . . parsed_1p0j 1
10 1 . . . parsed_1p0j 1
11 1 . . . parsed_1p0j 1
12 1 . . . parsed_1p0j 1
13 1 . . . parsed_1p0j 1
14 1 . . . parsed_1p0j 1
15 1 . . . parsed_1p0j 1
16 1 . . . parsed_1p0j 1
17 1 . . . parsed_1p0j 1
18 1 . . . parsed_1p0j 1
19 1 . . . parsed_1p0j 1
20 1 . . . parsed_1p0j 1
21 1 . . . parsed_1p0j 1
22 1 . . . parsed_1p0j 1
23 1 . . . parsed_1p0j 1
24 1 . . . parsed_1p0j 1
25 1 . . . parsed_1p0j 1
26 1 . . . parsed_1p0j 1
27 1 . . . parsed_1p0j 1
28 1 . . . parsed_1p0j 1
29 1 . . . parsed_1p0j 1
30 1 . . . parsed_1p0j 1
31 1 . . . parsed_1p0j 1
32 1 . . . parsed_1p0j 1
33 1 . . . parsed_1p0j 1
34 1 . . . parsed_1p0j 1
35 1 . . . parsed_1p0j 1
36 1 . . . parsed_1p0j 1
37 1 . . . parsed_1p0j 1
38 1 . . . parsed_1p0j 1
39 1 . . . parsed_1p0j 1
40 1 . . . parsed_1p0j 1
41 1 . . . parsed_1p0j 1
42 1 . . . parsed_1p0j 1
43 1 . . . parsed_1p0j 1
44 1 . . . parsed_1p0j 1
45 1 . . . parsed_1p0j 1
46 1 . . . parsed_1p0j 1
47 1 . . . parsed_1p0j 1
48 1 . . . parsed_1p0j 1
49 1 . . . parsed_1p0j 1
50 1 . . . parsed_1p0j 1
51 1 . . . parsed_1p0j 1
52 1 . . . parsed_1p0j 1
53 1 . . . parsed_1p0j 1
54 1 . . . parsed_1p0j 1
55 1 . . . parsed_1p0j 1
56 1 . . . parsed_1p0j 1
57 1 . . . parsed_1p0j 1
58 1 . . . parsed_1p0j 1
59 1 . . . parsed_1p0j 1
60 1 . . . parsed_1p0j 1
61 1 . . . parsed_1p0j 1
62 1 . . . parsed_1p0j 1
63 1 . . . parsed_1p0j 1
64 1 . . . parsed_1p0j 1
65 1 . . . parsed_1p0j 1
66 1 . . . parsed_1p0j 1
67 1 . . . parsed_1p0j 1
68 1 . . . parsed_1p0j 1
69 1 . . . parsed_1p0j 1
70 1 . . . parsed_1p0j 1
71 1 . . . parsed_1p0j 1
72 1 . . . parsed_1p0j 1
73 1 . . . parsed_1p0j 1
74 1 . . . parsed_1p0j 1
75 1 . . . parsed_1p0j 1
76 1 . . . parsed_1p0j 1
77 1 . . . parsed_1p0j 1
78 1 . . . parsed_1p0j 1
79 1 . . . parsed_1p0j 1
80 1 . . . parsed_1p0j 1
81 1 . . . parsed_1p0j 1
82 1 . . . parsed_1p0j 1
83 1 . . . parsed_1p0j 1
84 1 . . . parsed_1p0j 1
85 1 . . . parsed_1p0j 1
86 1 . . . parsed_1p0j 1
87 1 . . . parsed_1p0j 1
88 1 . . . parsed_1p0j 1
89 1 . . . parsed_1p0j 1
90 1 . . . parsed_1p0j 1
91 1 . . . parsed_1p0j 1
92 1 . . . parsed_1p0j 1
93 1 . . . parsed_1p0j 1
94 1 . . . parsed_1p0j 1
95 1 . . . parsed_1p0j 1
96 1 . . . parsed_1p0j 1
97 1 . . . parsed_1p0j 1
98 1 . . . parsed_1p0j 1
99 1 . . . parsed_1p0j 1
100 1 . . . parsed_1p0j 1
101 1 . . . parsed_1p0j 1
102 1 . . . parsed_1p0j 1
103 1 . . . parsed_1p0j 1
104 1 . . . parsed_1p0j 1
105 1 . . . parsed_1p0j 1
106 1 . . . parsed_1p0j 1
107 1 . . . parsed_1p0j 1
108 1 . . . parsed_1p0j 1
109 1 . . . parsed_1p0j 1
110 1 . . . parsed_1p0j 1
111 1 . . . parsed_1p0j 1
112 1 . . . parsed_1p0j 1
113 1 . . . parsed_1p0j 1
114 1 . . . parsed_1p0j 1
115 1 . . . parsed_1p0j 1
116 1 . . . parsed_1p0j 1
117 1 . . . parsed_1p0j 1
118 1 . . . parsed_1p0j 1
119 1 . . . parsed_1p0j 1
120 1 . . . parsed_1p0j 1
121 1 . . . parsed_1p0j 1
122 1 . . . parsed_1p0j 1
123 1 . . . parsed_1p0j 1
124 1 . . . parsed_1p0j 1
125 1 . . . parsed_1p0j 1
126 1 . . . parsed_1p0j 1
127 1 . . . parsed_1p0j 1
128 1 . . . parsed_1p0j 1
129 1 . . . parsed_1p0j 1
130 1 . . . parsed_1p0j 1
131 1 . . . parsed_1p0j 1
132 1 . . . parsed_1p0j 1
133 1 . . . parsed_1p0j 1
134 1 . . . parsed_1p0j 1
135 1 . . . parsed_1p0j 1
136 1 . . . parsed_1p0j 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 2 . HN parsed_1p0j 1
1 1 2 . . . . . . . . . 3 . HN parsed_1p0j 1
2 1 1 . . . . . . . . . 3 . HN parsed_1p0j 1
2 1 2 . . . . . . . . . 4 . HN parsed_1p0j 1
3 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
3 1 2 . . . . . . . . . 5 . HN parsed_1p0j 1
4 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
4 1 2 . . . . . . . . . 6 . HN parsed_1p0j 1
5 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
5 1 2 . . . . . . . . . 7 . HN parsed_1p0j 1
6 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
6 1 2 . . . . . . . . . 8 . HN parsed_1p0j 1
7 1 1 . . . . . . . . . 8 . HN parsed_1p0j 1
7 1 2 . . . . . . . . . 9 . HN parsed_1p0j 1
8 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
8 1 2 . . . . . . . . . 10 . HN parsed_1p0j 1
9 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
9 1 2 . . . . . . . . . 11 . HN parsed_1p0j 1
10 1 1 . . . . . . . . . 12 . HN parsed_1p0j 1
10 1 2 . . . . . . . . . 11 . HN parsed_1p0j 1
11 1 1 . . . . . . . . . 13 . HN parsed_1p0j 1
11 1 2 . . . . . . . . . 12 . HN parsed_1p0j 1
12 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
12 1 2 . . . . . . . . . 13 . HN parsed_1p0j 1
13 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
13 1 2 . . . . . . . . . 14 . HN parsed_1p0j 1
14 1 1 . . . . . . . . . 16 . HN parsed_1p0j 1
14 1 2 . . . . . . . . . 15 . HN parsed_1p0j 1
15 1 1 . . . . . . . . . 17 . HN parsed_1p0j 1
15 1 2 . . . . . . . . . 16 . HN parsed_1p0j 1
16 1 1 . . . . . . . . . 18 . HN parsed_1p0j 1
16 1 2 . . . . . . . . . 17 . HN parsed_1p0j 1
17 1 1 . . . . . . . . . 19 . HN parsed_1p0j 1
17 1 2 . . . . . . . . . 18 . HN parsed_1p0j 1
18 1 1 . . . . . . . . . 3 . HN parsed_1p0j 1
18 1 2 . . . . . . . . . 2 . HA parsed_1p0j 1
19 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
19 1 2 . . . . . . . . . 3 . HA parsed_1p0j 1
20 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
20 1 2 . . . . . . . . . 4 . HA parsed_1p0j 1
21 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
21 1 2 . . . . . . . . . 5 . HA parsed_1p0j 1
22 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
22 1 2 . . . . . . . . . 6 . HA parsed_1p0j 1
23 1 1 . . . . . . . . . 8 . HN parsed_1p0j 1
23 1 2 . . . . . . . . . 7 . HA parsed_1p0j 1
24 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
24 1 2 . . . . . . . . . 8 . HA parsed_1p0j 1
25 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
25 1 2 . . . . . . . . . 9 . HA parsed_1p0j 1
26 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
26 1 2 . . . . . . . . . 10 . HA parsed_1p0j 1
27 1 1 . . . . . . . . . 12 . HN parsed_1p0j 1
27 1 2 . . . . . . . . . 11 . HA parsed_1p0j 1
28 1 1 . . . . . . . . . 13 . HN parsed_1p0j 1
28 1 2 . . . . . . . . . 12 . HA parsed_1p0j 1
29 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
29 1 2 . . . . . . . . . 13 . HA parsed_1p0j 1
30 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
30 1 2 . . . . . . . . . 14 . HA parsed_1p0j 1
31 1 1 . . . . . . . . . 16 . HN parsed_1p0j 1
31 1 2 . . . . . . . . . 15 . HA parsed_1p0j 1
32 1 1 . . . . . . . . . 17 . HN parsed_1p0j 1
32 1 2 . . . . . . . . . 16 . HA parsed_1p0j 1
33 1 1 . . . . . . . . . 18 . HN parsed_1p0j 1
33 1 2 . . . . . . . . . 17 . HA parsed_1p0j 1
34 1 1 . . . . . . . . . 19 . HN parsed_1p0j 1
34 1 2 . . . . . . . . . 18 . HA parsed_1p0j 1
35 1 1 . . . . . . . . . 20 . HN parsed_1p0j 1
35 1 2 . . . . . . . . . 19 . HA parsed_1p0j 1
36 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
36 1 2 . . . . . . . . . 3 . HB1 parsed_1p0j 1
37 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
37 1 2 . . . . . . . . . 3 . HB2 parsed_1p0j 1
38 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
38 1 2 . . . . . . . . . 3 . HD# parsed_1p0j 1
39 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
39 1 2 . . . . . . . . . 3 . HG# parsed_1p0j 1
40 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
40 1 2 . . . . . . . . . 4 . HB parsed_1p0j 1
41 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
41 1 2 . . . . . . . . . 4 . HG1# parsed_1p0j 1
42 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
42 1 2 . . . . . . . . . 4 . HG2# parsed_1p0j 1
43 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
43 1 2 . . . . . . . . . 5 . HB1 parsed_1p0j 1
44 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
44 1 2 . . . . . . . . . 5 . HB2 parsed_1p0j 1
45 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
45 1 2 . . . . . . . . . 6 . HG# parsed_1p0j 1
46 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
46 1 2 . . . . . . . . . 8 . HB# parsed_1p0j 1
47 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
47 1 2 . . . . . . . . . 8 . HG parsed_1p0j 1
48 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
48 1 2 . . . . . . . . . 8 . HB# parsed_1p0j 1
49 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
49 1 2 . . . . . . . . . 8 . HD# parsed_1p0j 1
50 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
50 1 2 . . . . . . . . . 9 . HG# parsed_1p0j 1
51 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
51 1 2 . . . . . . . . . 10 . HG# parsed_1p0j 1
52 1 1 . . . . . . . . . 13 . HN parsed_1p0j 1
52 1 2 . . . . . . . . . 12 . HB1 parsed_1p0j 1
53 1 1 . . . . . . . . . 13 . HN parsed_1p0j 1
53 1 2 . . . . . . . . . 12 . HB2 parsed_1p0j 1
54 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
54 1 2 . . . . . . . . . 3 . HA parsed_1p0j 1
55 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
55 1 2 . . . . . . . . . 5 . HA parsed_1p0j 1
56 1 1 . . . . . . . . . 12 . HN parsed_1p0j 1
56 1 2 . . . . . . . . . 10 . HA parsed_1p0j 1
57 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
57 1 2 . . . . . . . . . 12 . HA parsed_1p0j 1
58 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
58 1 2 . . . . . . . . . 3 . HB2 parsed_1p0j 1
59 1 1 . . . . . . . . . 3 . HA parsed_1p0j 1
59 1 2 . . . . . . . . . 5 . HB1 parsed_1p0j 1
60 1 1 . . . . . . . . . 3 . HA parsed_1p0j 1
60 1 2 . . . . . . . . . 5 . HB2 parsed_1p0j 1
61 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
61 1 2 . . . . . . . . . 4 . HA parsed_1p0j 1
62 1 1 . . . . . . . . . 8 . HN parsed_1p0j 1
62 1 2 . . . . . . . . . 5 . HA parsed_1p0j 1
63 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
63 1 2 . . . . . . . . . 6 . HA parsed_1p0j 1
64 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
64 1 2 . . . . . . . . . 7 . HA parsed_1p0j 1
65 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
65 1 2 . . . . . . . . . 8 . HA parsed_1p0j 1
66 1 1 . . . . . . . . . 12 . HN parsed_1p0j 1
66 1 2 . . . . . . . . . 9 . HA parsed_1p0j 1
67 1 1 . . . . . . . . . 13 . HN parsed_1p0j 1
67 1 2 . . . . . . . . . 10 . HA parsed_1p0j 1
68 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
68 1 2 . . . . . . . . . 11 . HA parsed_1p0j 1
69 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
69 1 2 . . . . . . . . . 12 . HA parsed_1p0j 1
70 1 1 . . . . . . . . . 16 . HN parsed_1p0j 1
70 1 2 . . . . . . . . . 13 . HA parsed_1p0j 1
71 1 1 . . . . . . . . . 17 . HN parsed_1p0j 1
71 1 2 . . . . . . . . . 14 . HA parsed_1p0j 1
72 1 1 . . . . . . . . . 18 . HN parsed_1p0j 1
72 1 2 . . . . . . . . . 15 . HA parsed_1p0j 1
73 1 1 . . . . . . . . . 19 . HN parsed_1p0j 1
73 1 2 . . . . . . . . . 16 . HA parsed_1p0j 1
74 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
74 1 2 . . . . . . . . . 4 . HG1# parsed_1p0j 1
75 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
75 1 2 . . . . . . . . . 7 . HB1 parsed_1p0j 1
76 1 1 . . . . . . . . . 13 . HN parsed_1p0j 1
76 1 2 . . . . . . . . . 9 . HA parsed_1p0j 1
77 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
77 1 2 . . . . . . . . . 7 . HB1 parsed_1p0j 1
78 1 1 . . . . . . . . . 5 . HA parsed_1p0j 1
78 1 2 . . . . . . . . . 8 . HB1 parsed_1p0j 1
79 1 1 . . . . . . . . . 6 . HA parsed_1p0j 1
79 1 2 . . . . . . . . . 9 . HB1 parsed_1p0j 1
80 1 1 . . . . . . . . . 6 . HA parsed_1p0j 1
80 1 2 . . . . . . . . . 9 . HB1 parsed_1p0j 1
81 1 1 . . . . . . . . . 6 . HA parsed_1p0j 1
81 1 2 . . . . . . . . . 9 . HG# parsed_1p0j 1
82 1 1 . . . . . . . . . 7 . HA parsed_1p0j 1
82 1 2 . . . . . . . . . 10 . HB1 parsed_1p0j 1
83 1 1 . . . . . . . . . 9 . HA parsed_1p0j 1
83 1 2 . . . . . . . . . 12 . HB1 parsed_1p0j 1
84 1 1 . . . . . . . . . 9 . HA parsed_1p0j 1
84 1 2 . . . . . . . . . 12 . HB2 parsed_1p0j 1
85 1 1 . . . . . . . . . 12 . HA parsed_1p0j 1
85 1 2 . . . . . . . . . 15 . HG12 parsed_1p0j 1
86 1 1 . . . . . . . . . 12 . HA parsed_1p0j 1
86 1 2 . . . . . . . . . 15 . HG2# parsed_1p0j 1
87 1 1 . . . . . . . . . 14 . HA parsed_1p0j 1
87 1 2 . . . . . . . . . 17 . HB# parsed_1p0j 1
88 1 1 . . . . . . . . . 15 . HA parsed_1p0j 1
88 1 2 . . . . . . . . . 18 . HB1 parsed_1p0j 1
89 1 1 . . . . . . . . . 16 . HA parsed_1p0j 1
89 1 2 . . . . . . . . . 19 . HB1 parsed_1p0j 1
90 1 1 . . . . . . . . . 2 . HN parsed_1p0j 1
90 1 2 . . . . . . . . . 2 . HB1 parsed_1p0j 1
91 1 1 . . . . . . . . . 2 . HN parsed_1p0j 1
91 1 2 . . . . . . . . . 2 . HB2 parsed_1p0j 1
92 1 1 . . . . . . . . . 2 . HN parsed_1p0j 1
92 1 2 . . . . . . . . . 2 . HD# parsed_1p0j 1
93 1 1 . . . . . . . . . 2 . HN parsed_1p0j 1
93 1 2 . . . . . . . . . 2 . HG# parsed_1p0j 1
94 1 1 . . . . . . . . . 3 . HN parsed_1p0j 1
94 1 2 . . . . . . . . . 3 . HB1 parsed_1p0j 1
95 1 1 . . . . . . . . . 3 . HN parsed_1p0j 1
95 1 2 . . . . . . . . . 3 . HB2 parsed_1p0j 1
96 1 1 . . . . . . . . . 3 . HN parsed_1p0j 1
96 1 2 . . . . . . . . . 3 . HD# parsed_1p0j 1
97 1 1 . . . . . . . . . 3 . HN parsed_1p0j 1
97 1 2 . . . . . . . . . 3 . HG# parsed_1p0j 1
98 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
98 1 2 . . . . . . . . . 4 . HB parsed_1p0j 1
99 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
99 1 2 . . . . . . . . . 4 . HG1# parsed_1p0j 1
100 1 1 . . . . . . . . . 4 . HN parsed_1p0j 1
100 1 2 . . . . . . . . . 4 . HG2# parsed_1p0j 1
101 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
101 1 2 . . . . . . . . . 5 . HB1 parsed_1p0j 1
102 1 1 . . . . . . . . . 5 . HN parsed_1p0j 1
102 1 2 . . . . . . . . . 5 . HB2 parsed_1p0j 1
103 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
103 1 2 . . . . . . . . . 6 . HB1 parsed_1p0j 1
104 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
104 1 2 . . . . . . . . . 6 . HB2 parsed_1p0j 1
105 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
105 1 2 . . . . . . . . . 6 . HD# parsed_1p0j 1
106 1 1 . . . . . . . . . 6 . HN parsed_1p0j 1
106 1 2 . . . . . . . . . 6 . HG# parsed_1p0j 1
107 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
107 1 2 . . . . . . . . . 7 . HB1 parsed_1p0j 1
108 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
108 1 2 . . . . . . . . . 7 . HB2 parsed_1p0j 1
109 1 1 . . . . . . . . . 7 . HN parsed_1p0j 1
109 1 2 . . . . . . . . . 7 . HG# parsed_1p0j 1
110 1 1 . . . . . . . . . 8 . HN parsed_1p0j 1
110 1 2 . . . . . . . . . 8 . HB# parsed_1p0j 1
111 1 1 . . . . . . . . . 8 . HN parsed_1p0j 1
111 1 2 . . . . . . . . . 8 . HG parsed_1p0j 1
112 1 1 . . . . . . . . . 8 . HN parsed_1p0j 1
112 1 2 . . . . . . . . . 8 . HD# parsed_1p0j 1
113 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
113 1 2 . . . . . . . . . 9 . HB1 parsed_1p0j 1
114 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
114 1 2 . . . . . . . . . 9 . HB2 parsed_1p0j 1
115 1 1 . . . . . . . . . 9 . HN parsed_1p0j 1
115 1 2 . . . . . . . . . 9 . HG# parsed_1p0j 1
116 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
116 1 2 . . . . . . . . . 10 . HB1 parsed_1p0j 1
117 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
117 1 2 . . . . . . . . . 10 . HB2 parsed_1p0j 1
118 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
118 1 2 . . . . . . . . . 10 . HD# parsed_1p0j 1
119 1 1 . . . . . . . . . 10 . HN parsed_1p0j 1
119 1 2 . . . . . . . . . 10 . HG# parsed_1p0j 1
120 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
120 1 2 . . . . . . . . . 11 . HB# parsed_1p0j 1
121 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
121 1 2 . . . . . . . . . 11 . HG parsed_1p0j 1
122 1 1 . . . . . . . . . 11 . HN parsed_1p0j 1
122 1 2 . . . . . . . . . 11 . HD# parsed_1p0j 1
123 1 1 . . . . . . . . . 12 . HN parsed_1p0j 1
123 1 2 . . . . . . . . . 12 . HB1 parsed_1p0j 1
124 1 1 . . . . . . . . . 12 . HN parsed_1p0j 1
124 1 2 . . . . . . . . . 12 . HB2 parsed_1p0j 1
125 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
125 1 2 . . . . . . . . . 14 . HB1 parsed_1p0j 1
126 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
126 1 2 . . . . . . . . . 14 . HB2 parsed_1p0j 1
127 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
127 1 2 . . . . . . . . . 14 . HD# parsed_1p0j 1
128 1 1 . . . . . . . . . 14 . HN parsed_1p0j 1
128 1 2 . . . . . . . . . 14 . HG# parsed_1p0j 1
129 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
129 1 2 . . . . . . . . . 15 . HB parsed_1p0j 1
130 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
130 1 2 . . . . . . . . . 15 . HG11 parsed_1p0j 1
131 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
131 1 2 . . . . . . . . . 15 . HG12 parsed_1p0j 1
132 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
132 1 2 . . . . . . . . . 15 . HG2# parsed_1p0j 1
133 1 1 . . . . . . . . . 15 . HN parsed_1p0j 1
133 1 2 . . . . . . . . . 15 . HD1# parsed_1p0j 1
134 1 1 . . . . . . . . . 17 . HN parsed_1p0j 1
134 1 2 . . . . . . . . . 17 . HB# parsed_1p0j 1
135 1 1 . . . . . . . . . 18 . HN parsed_1p0j 1
135 1 2 . . . . . . . . . 18 . HB1 parsed_1p0j 1
136 1 1 . . . . . . . . . 18 . HN parsed_1p0j 1
136 1 2 . . . . . . . . . 18 . HB2 parsed_1p0j 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 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
2 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
3 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
4 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
5 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
6 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
7 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
8 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
9 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
10 1 . . . . . 2.5 1.8 2.7 parsed_1p0j 1
11 1 . . . . . 2.5 1.8 2.7 parsed_1p0j 1
12 1 . . . . . 2.5 1.8 2.7 parsed_1p0j 1
13 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
14 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
15 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
16 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
17 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
18 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
19 1 . . . . . 2.5 1.8 2.7 parsed_1p0j 1
20 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
21 1 . . . . . 2.5 1.8 3.2 parsed_1p0j 1
22 1 . . . . . 3.0 1.8 3.8 parsed_1p0j 1
23 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
24 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
25 1 . . . . . 4.0 1.8 5.5 parsed_1p0j 1
26 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
27 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
28 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
29 1 . . . . . 3.0 1.8 3.8 parsed_1p0j 1
30 1 . . . . . 3.0 1.8 3.8 parsed_1p0j 1
31 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
32 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
33 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
34 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
35 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
36 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
37 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
38 1 . . . . . 4.0 1.8 6.5 parsed_1p0j 1
39 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
40 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
41 1 . . . . . 3.0 1.8 4.8 parsed_1p0j 1
42 1 . . . . . 3.0 1.8 4.8 parsed_1p0j 1
43 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
44 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
45 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
46 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
47 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
48 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
49 1 . . . . . 4.0 1.8 7.0 parsed_1p0j 1
50 1 . . . . . 3.0 1.8 4.8 parsed_1p0j 1
51 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
52 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
53 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
54 1 . . . . . 4.0 1.8 5.5 parsed_1p0j 1
55 1 . . . . . 4.0 1.8 5.5 parsed_1p0j 1
56 1 . . . . . 4.0 1.8 5.5 parsed_1p0j 1
57 1 . . . . . 4.0 1.8 5.5 parsed_1p0j 1
58 1 . . . . . 4.0 1.8 5.5 parsed_1p0j 1
59 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
60 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
61 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
62 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
63 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
64 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
65 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
66 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
67 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
68 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
69 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
70 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
71 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
72 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
73 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
74 1 . . . . . 4.0 1.8 7.0 parsed_1p0j 1
75 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
76 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
77 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
78 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
79 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
80 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
81 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
82 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
83 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
84 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
85 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
86 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
87 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
88 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
89 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
90 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
91 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
92 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
93 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
94 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
95 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
96 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
97 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
98 1 . . . . . 2.5 1.8 3.2 parsed_1p0j 1
99 1 . . . . . 2.5 1.8 4.7 parsed_1p0j 1
100 1 . . . . . 2.5 1.8 4.7 parsed_1p0j 1
101 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
102 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
103 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
104 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
105 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
106 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
107 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
108 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
109 1 . . . . . 3.0 1.8 4.3 parsed_1p0j 1
110 1 . . . . . 3.0 1.8 4.3 parsed_1p0j 1
111 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
112 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
113 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
114 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
115 1 . . . . . 3.0 1.8 4.3 parsed_1p0j 1
116 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
117 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
118 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
119 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
120 1 . . . . . 3.0 1.8 4.3 parsed_1p0j 1
121 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
122 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
123 1 . . . . . 2.5 1.8 3.2 parsed_1p0j 1
124 1 . . . . . 2.5 1.8 3.2 parsed_1p0j 1
125 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
126 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
127 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
128 1 . . . . . 4.0 1.8 6.0 parsed_1p0j 1
129 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
130 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
131 1 . . . . . 3.0 1.8 3.3 parsed_1p0j 1
132 1 . . . . . 3.0 1.8 4.3 parsed_1p0j 1
133 1 . . . . . 3.0 1.8 4.3 parsed_1p0j 1
134 1 . . . . . 2.5 1.8 3.7 parsed_1p0j 1
135 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 1
136 1 . . . . . 4.0 1.8 5.0 parsed_1p0j 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
;
HP IN 150mM SDS
---------- Created by Kwanghwan Lee (01/9/02) ----------
S:1.8-2.7(2.5) ; M:1.8-3.3(3.0) ; W:1.8-5.0(4.0)
add pseudoatom correction(m=1.0,r=2.0,+=0.5)
NH(i)-NH(i+1) NOE
;
1 1 5 20 parsed_1p0j 1
2 M 6 77 6 79 parsed_1p0j 1
3 W 7 77 7 79 parsed_1p0j 1
4 W 8 77 8 79 parsed_1p0j 1
5 W 9 77 9 79 parsed_1p0j 1
6 W 10 77 10 79 parsed_1p0j 1
7 W 11 77 11 79 parsed_1p0j 1
8 M 12 77 12 79 parsed_1p0j 1
9 M 13 77 13 79 parsed_1p0j 1
10 W 14 77 14 79 parsed_1p0j 1
11 S 15 77 15 79 parsed_1p0j 1
12 S 16 77 16 79 parsed_1p0j 1
13 S 17 77 17 79 parsed_1p0j 1
14 M 18 77 18 79 parsed_1p0j 1
15 M 19 77 19 79 parsed_1p0j 1
16 M 20 77 20 79 parsed_1p0j 1
17 W 21 77 21 79 parsed_1p0j 1
18
;
M
CaH(i)-NH(i+1) NOE
;
22 77 23 21 parsed_1p0j 1
19 M 24 77 24 79 parsed_1p0j 1
20 S 25 77 25 79 parsed_1p0j 1
21 M 26 77 26 79 parsed_1p0j 1
22 S+ 27 77 27 80 parsed_1p0j 1
23 M+ 28 77 28 80 parsed_1p0j 1
24 W 29 77 29 79 parsed_1p0j 1
25 W 30 77 30 79 parsed_1p0j 1
26 W+ 31 77 31 80 parsed_1p0j 1
27 W 32 77 32 79 parsed_1p0j 1
28 W 33 77 33 79 parsed_1p0j 1
29 W 34 77 34 79 parsed_1p0j 1
30 M+ 35 77 35 80 parsed_1p0j 1
31 M+ 36 77 36 80 parsed_1p0j 1
32 W 37 77 37 80 parsed_1p0j 1
33 W 38 77 38 79 parsed_1p0j 1
34 W 39 77 39 79 parsed_1p0j 1
35 W 40 77 40 79 parsed_1p0j 1
36
;
W
CbgdH(i)-NH(i+1) NOE
;
41 77 42 23 parsed_1p0j 1
37 W 43 77 43 80 parsed_1p0j 1
38 W 44 77 44 80 parsed_1p0j 1
39 Wm+ 45 77 45 82 parsed_1p0j 1
40 Wm 46 77 46 80 parsed_1p0j 1
41 W 47 77 47 79 parsed_1p0j 1
42 Mm+ 48 77 48 81 parsed_1p0j 1
43 Mm+ 49 77 49 81 parsed_1p0j 1
44 W 50 77 50 79 parsed_1p0j 1
45 W 51 77 51 79 parsed_1p0j 1
46 Wm 52 77 52 80 parsed_1p0j 1
47 Wm 53 77 53 80 parsed_1p0j 1
48 W 54 77 54 79 parsed_1p0j 1
49 Wm 55 77 55 80 parsed_1p0j 1
50 Wr 56 77 56 80 parsed_1p0j 1
51 Mm+ 57 77 57 81 parsed_1p0j 1
52 Wm 58 77 58 80 parsed_1p0j 1
53 W 59 77 59 79 parsed_1p0j 1
54
;
W
(i)-(i+2) NOE
;
60 77 61 16 parsed_1p0j 1
55 W+ 62 77 62 80 parsed_1p0j 1
56 W+ 63 77 63 80 parsed_1p0j 1
57 W+ 64 77 64 80 parsed_1p0j 1
58 W+ 65 77 65 80 parsed_1p0j 1
59 W+ 66 77 67 2 parsed_1p0j 1
60 M 68 77 68 79 parsed_1p0j 1
61
;
M
(i)-(i+3) NOE
assign (resid 6 and name HN )(resid 3 and name HA ) 4.0 2.2 1.0 !W(OL)
;
69 77 71 84 parsed_1p0j 1
62 M 72 77 72 79 parsed_1p0j 1
63 M(OL) 73 77 73 83 parsed_1p0j 1
64 M(OL) 74 77 74 83 parsed_1p0j 1
65 M 75 77 75 79 parsed_1p0j 1
66 M(OL) 76 77 76 83 parsed_1p0j 1
67 M 77 77 77 79 parsed_1p0j 1
68 M(OL) 78 77 78 83 parsed_1p0j 1
69 M(OL) 79 77 79 83 parsed_1p0j 1
70 M 80 77 80 79 parsed_1p0j 1
71 M 81 77 81 79 parsed_1p0j 1
72 M% 82 77 82 80 parsed_1p0j 1
73 M% 83 77 83 80 parsed_1p0j 1
74 M 84 77 85 2 parsed_1p0j 1
75 Wr 86 77 86 80 parsed_1p0j 1
76
;
W
(i)-(i+4) NOE
;
87 77 88 16 parsed_1p0j 1
77 W 89 77 89 79 parsed_1p0j 1
78
;
W
CaH(i)-CbH(i+3)
;
90 77 91 18 parsed_1p0j 1
79 W 92 77 92 79 parsed_1p0j 1
80 W 93 77 93 79 parsed_1p0j 1
81 W 94 77 94 79 parsed_1p0j 1
82 Wm 95 77 95 80 parsed_1p0j 1
83 W 96 77 96 79 parsed_1p0j 1
84 W 97 77 97 79 parsed_1p0j 1
85 W 98 77 98 79 parsed_1p0j 1
86 W 99 77 99 79 parsed_1p0j 1
87 Wm 100 77 100 80 parsed_1p0j 1
88 Wm 101 77 101 80 parsed_1p0j 1
89 Wm 102 77 102 80 parsed_1p0j 1
90
;
Wm
intra
;
103 77 104 7 parsed_1p0j 1
91 M 105 77 105 79 parsed_1p0j 1
92 W 106 77 106 79 parsed_1p0j 1
93 Wm 107 77 107 80 parsed_1p0j 1
94 Wm 108 77 108 80 parsed_1p0j 1
95 M 109 77 109 79 parsed_1p0j 1
96 W 110 77 110 79 parsed_1p0j 1
97 Wm 111 77 111 80 parsed_1p0j 1
98 Wm 112 77 112 80 parsed_1p0j 1
99 S+ 113 77 113 80 parsed_1p0j 1
100 Sr 114 77 114 80 parsed_1p0j 1
101 Sr 115 77 115 80 parsed_1p0j 1
102 M 116 77 116 79 parsed_1p0j 1
103 M 117 77 117 79 parsed_1p0j 1
104 M 118 77 118 79 parsed_1p0j 1
105 M 119 77 119 79 parsed_1p0j 1
106 Wm 120 77 120 80 parsed_1p0j 1
107 Wm 121 77 121 80 parsed_1p0j 1
108 W 122 77 122 79 parsed_1p0j 1
109 W 123 77 123 79 parsed_1p0j 1
110 Mm 124 77 124 80 parsed_1p0j 1
111 Mm 125 77 125 80 parsed_1p0j 1
112 W 126 77 126 79 parsed_1p0j 1
113 Wm 127 77 127 80 parsed_1p0j 1
114 W 128 77 128 79 parsed_1p0j 1
115 W 129 77 129 79 parsed_1p0j 1
116 Mm 130 77 130 80 parsed_1p0j 1
117 W 131 77 131 79 parsed_1p0j 1
118 W 132 77 132 79 parsed_1p0j 1
119 Wm 133 77 133 80 parsed_1p0j 1
120 Wm 134 77 134 80 parsed_1p0j 1
121 Mm 135 77 135 80 parsed_1p0j 1
122 W 136 77 136 79 parsed_1p0j 1
123 Wm 137 77 137 80 parsed_1p0j 1
124 S+ 138 77 138 80 parsed_1p0j 1
125 S+ 139 77 139 80 parsed_1p0j 1
126 W 140 77 140 79 parsed_1p0j 1
127 W 141 77 141 79 parsed_1p0j 1
128 Wm 142 77 142 80 parsed_1p0j 1
129 Wm 143 77 143 80 parsed_1p0j 1
130 M 144 77 144 79 parsed_1p0j 1
131 M 145 77 145 79 parsed_1p0j 1
132 M 146 77 146 79 parsed_1p0j 1
133 Mm 147 77 147 80 parsed_1p0j 1
134 Mm 148 77 148 80 parsed_1p0j 1
135 Sm 149 77 149 80 parsed_1p0j 1
136 W 150 77 150 79 parsed_1p0j 1
137 W 151 77 151 79 parsed_1p0j 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_1p0j
_Org_constr_file_comment.ID 3
_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
;
set message=on echo=on end
set message=off echo=off end
restraints dihedral reset
;
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1p0j
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1p0j 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -40.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1p0j 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1p0j 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1p0j 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1p0j 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1p0j 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -30.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1p0j 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -30.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1p0j 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1p0j 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1p0j 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1p0j 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1p0j 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1p0j 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1p0j 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1p0j 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
;
HP IN SDS
!
!Phi
! 2
;
1 1 4 10 parsed_1p0j 1
2 "! 4" 7 3 7 10 parsed_1p0j 1
3 "! 6" 10 3 10 10 parsed_1p0j 1
4 "! 7" 13 3 13 10 parsed_1p0j 1
5 "! 8" 16 3 16 10 parsed_1p0j 1
6 "! 9" 19 3 19 10 parsed_1p0j 1
7 "! 10" 22 3 22 11 parsed_1p0j 1
8 "! 11" 25 3 25 11 parsed_1p0j 1
9 "! 12" 28 3 28 12 parsed_1p0j 1
10 "! 13" 31 3 31 12 parsed_1p0j 1
11 "! 14" 34 3 34 12 parsed_1p0j 1
12 "! 15" 37 3 37 12 parsed_1p0j 1
13 "! 17" 40 3 40 12 parsed_1p0j 1
14 "! 18" 43 3 43 12 parsed_1p0j 1
15 "! 19" 46 3 46 12 parsed_1p0j 1
stop_
save_
save_MR_file_comment_6
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1p0j
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 6
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
end
set message=on echo=on end
;
save_
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