Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
573085 | 2m5l RC | 19059 | cing | 2-parsed | STAR | entry | full | 141 |
data_2m5l_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m5l
_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_2m5l 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m5l
_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 2m5l "Master copy" parsed_2m5l
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m5l
_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 2m5l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m5l 1
1 2m5l.mr . . XPLOR/CNS 2 distance NOE simple 121 parsed_2m5l 1
1 2m5l.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_2m5l 1
1 2m5l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m5l 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_2m5l
_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 27-FEB-13 2M5L
*TITLE NS5A308
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NS5A PROTEIN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 2280-2301;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS C VIRUS;
*SOURCE 3 ORGANISM_TAXID: 333284;
*SOURCE 4 STRAIN: CON 1;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PT7-7;
*SOURCE 9 OTHER_DETAILS: 15N 13C LABELED SAMPLE
*KEYWDS HEPATITIS C VIRUS, NS5A PROTEIN, DOMAIN 2, INTRINSICALLY DISORDERED
*KEYWDS 2 PROTEIN, VIRAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 28
*AUTHOR R.MONTSERRET, A.BADILLO, X.HANOULLE, G.LIPPENS, F.PENIN
*REVDAT 1 05-MAR-14 2M5L 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m5l
_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_2m5l 1
2 1 . . . parsed_2m5l 1
3 1 . . . parsed_2m5l 1
4 1 . . . parsed_2m5l 1
5 1 . . . parsed_2m5l 1
6 1 . . . parsed_2m5l 1
7 1 . . . parsed_2m5l 1
8 1 . . . parsed_2m5l 1
9 1 . . . parsed_2m5l 1
10 1 . . . parsed_2m5l 1
11 1 . . . parsed_2m5l 1
12 1 . . . parsed_2m5l 1
13 1 . . . parsed_2m5l 1
14 1 . . . parsed_2m5l 1
15 1 . . . parsed_2m5l 1
16 1 . . . parsed_2m5l 1
17 1 . . . parsed_2m5l 1
18 1 . . . parsed_2m5l 1
19 1 . . . parsed_2m5l 1
20 1 . . . parsed_2m5l 1
21 1 . . . parsed_2m5l 1
22 1 . . . parsed_2m5l 1
23 1 . . . parsed_2m5l 1
24 1 . . . parsed_2m5l 1
25 1 . . . parsed_2m5l 1
26 1 . . . parsed_2m5l 1
27 1 . . . parsed_2m5l 1
28 1 . . . parsed_2m5l 1
29 1 . . . parsed_2m5l 1
30 1 . . . parsed_2m5l 1
31 1 . . . parsed_2m5l 1
32 1 . . . parsed_2m5l 1
33 1 . . . parsed_2m5l 1
34 1 . . . parsed_2m5l 1
35 1 . . . parsed_2m5l 1
36 1 . . . parsed_2m5l 1
37 1 . . . parsed_2m5l 1
38 1 . . . parsed_2m5l 1
39 1 . . . parsed_2m5l 1
40 1 . . . parsed_2m5l 1
41 1 . . . parsed_2m5l 1
42 1 . . . parsed_2m5l 1
43 1 . . . parsed_2m5l 1
44 1 . . . parsed_2m5l 1
45 1 . . . parsed_2m5l 1
46 1 . . . parsed_2m5l 1
47 1 . . . parsed_2m5l 1
48 1 . . . parsed_2m5l 1
49 1 . . . parsed_2m5l 1
50 1 . . . parsed_2m5l 1
51 1 . . . parsed_2m5l 1
52 1 . . . parsed_2m5l 1
53 1 . . . parsed_2m5l 1
54 1 . . . parsed_2m5l 1
55 1 . . . parsed_2m5l 1
56 1 . . . parsed_2m5l 1
57 1 . . . parsed_2m5l 1
58 1 . . . parsed_2m5l 1
59 1 . . . parsed_2m5l 1
60 1 . . . parsed_2m5l 1
61 1 . . . parsed_2m5l 1
62 1 . . . parsed_2m5l 1
63 1 . . . parsed_2m5l 1
64 1 . . . parsed_2m5l 1
65 1 . . . parsed_2m5l 1
66 1 . . . parsed_2m5l 1
67 1 . . . parsed_2m5l 1
68 1 . . . parsed_2m5l 1
69 1 . . . parsed_2m5l 1
70 1 . . . parsed_2m5l 1
71 1 . . . parsed_2m5l 1
72 1 . . . parsed_2m5l 1
73 1 . . . parsed_2m5l 1
74 1 . . . parsed_2m5l 1
75 1 . . . parsed_2m5l 1
76 1 . . . parsed_2m5l 1
77 1 . . . parsed_2m5l 1
78 1 . . . parsed_2m5l 1
79 1 . . . parsed_2m5l 1
80 1 . . . parsed_2m5l 1
81 1 . . . parsed_2m5l 1
82 1 . . . parsed_2m5l 1
83 1 . . . parsed_2m5l 1
84 1 . . . parsed_2m5l 1
85 1 . . . parsed_2m5l 1
86 1 . . . parsed_2m5l 1
87 1 . . . parsed_2m5l 1
88 1 . . . parsed_2m5l 1
89 1 . . . parsed_2m5l 1
90 1 . . . parsed_2m5l 1
91 1 . . . parsed_2m5l 1
92 1 . . . parsed_2m5l 1
93 1 . . . parsed_2m5l 1
94 1 . . . parsed_2m5l 1
95 1 . . . parsed_2m5l 1
96 1 . . . parsed_2m5l 1
97 1 . . . parsed_2m5l 1
98 1 . . . parsed_2m5l 1
99 1 . . . parsed_2m5l 1
100 1 . . . parsed_2m5l 1
101 1 . . . parsed_2m5l 1
102 1 . . . parsed_2m5l 1
103 1 . . . parsed_2m5l 1
104 1 . . . parsed_2m5l 1
105 1 . . . parsed_2m5l 1
106 1 . . . parsed_2m5l 1
107 1 . . . parsed_2m5l 1
108 1 . . . parsed_2m5l 1
109 1 . . . parsed_2m5l 1
110 1 . . . parsed_2m5l 1
111 1 . . . parsed_2m5l 1
112 1 . . . parsed_2m5l 1
113 1 . . . parsed_2m5l 1
114 1 . . . parsed_2m5l 1
115 1 . . . parsed_2m5l 1
116 1 . . . parsed_2m5l 1
117 1 . . . parsed_2m5l 1
118 1 . . . parsed_2m5l 1
119 1 . . . parsed_2m5l 1
120 1 . . . parsed_2m5l 1
121 1 . . . parsed_2m5l 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_2m5l 1
1 1 2 . . . . . . . . . 3 . HD1 parsed_2m5l 1
2 1 1 . . . . . . . . . 2 . HN parsed_2m5l 1
2 1 2 . . . . . . . . . 3 . HD2 parsed_2m5l 1
3 1 1 . . . . . . . . . 2 . HN parsed_2m5l 1
3 1 2 . . . . . . . . . 3 . HG# parsed_2m5l 1
4 1 1 . . . . . . . . . 2 . HA parsed_2m5l 1
4 1 2 . . . . . . . . . 3 . HD1 parsed_2m5l 1
5 1 1 . . . . . . . . . 2 . HA parsed_2m5l 1
5 1 2 . . . . . . . . . 3 . HD2 parsed_2m5l 1
6 1 1 . . . . . . . . . 2 . HA parsed_2m5l 1
6 1 2 . . . . . . . . . 3 . HG# parsed_2m5l 1
7 1 1 . . . . . . . . . 3 . HA parsed_2m5l 1
7 1 2 . . . . . . . . . 4 . HN parsed_2m5l 1
8 1 1 . . . . . . . . . 3 . HB1 parsed_2m5l 1
8 1 2 . . . . . . . . . 4 . HN parsed_2m5l 1
9 1 1 . . . . . . . . . 4 . HA parsed_2m5l 1
9 1 2 . . . . . . . . . 5 . HN parsed_2m5l 1
10 1 1 . . . . . . . . . 5 . HA parsed_2m5l 1
10 1 2 . . . . . . . . . 6 . HN parsed_2m5l 1
11 1 1 . . . . . . . . . 5 . HB# parsed_2m5l 1
11 1 2 . . . . . . . . . 6 . HN parsed_2m5l 1
12 1 1 . . . . . . . . . 6 . HN parsed_2m5l 1
12 1 2 . . . . . . . . . 7 . HD1 parsed_2m5l 1
13 1 1 . . . . . . . . . 6 . HN parsed_2m5l 1
13 1 2 . . . . . . . . . 7 . HD2 parsed_2m5l 1
14 1 1 . . . . . . . . . 6 . HA parsed_2m5l 1
14 1 2 . . . . . . . . . 7 . HD1 parsed_2m5l 1
15 1 1 . . . . . . . . . 6 . HA parsed_2m5l 1
15 1 2 . . . . . . . . . 7 . HD2 parsed_2m5l 1
16 1 1 . . . . . . . . . 6 . HA parsed_2m5l 1
16 1 2 . . . . . . . . . 7 . HG# parsed_2m5l 1
17 1 1 . . . . . . . . . 7 . HA parsed_2m5l 1
17 1 2 . . . . . . . . . 8 . HN parsed_2m5l 1
18 1 1 . . . . . . . . . 7 . HB1 parsed_2m5l 1
18 1 2 . . . . . . . . . 8 . HN parsed_2m5l 1
19 1 1 . . . . . . . . . 7 . HB2 parsed_2m5l 1
19 1 2 . . . . . . . . . 8 . HN parsed_2m5l 1
20 1 1 . . . . . . . . . 7 . HA parsed_2m5l 1
20 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
21 1 1 . . . . . . . . . 7 . HB1 parsed_2m5l 1
21 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
22 1 1 . . . . . . . . . 7 . HB2 parsed_2m5l 1
22 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
23 1 1 . . . . . . . . . 7 . HB2 parsed_2m5l 1
23 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1
24 1 1 . . . . . . . . . 7 . HD1 parsed_2m5l 1
24 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1
25 1 1 . . . . . . . . . 7 . HD2 parsed_2m5l 1
25 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1
26 1 1 . . . . . . . . . 8 . HN parsed_2m5l 1
26 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
27 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1
27 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
28 1 1 . . . . . . . . . 8 . HB parsed_2m5l 1
28 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
29 1 1 . . . . . . . . . 8 . HG11 parsed_2m5l 1
29 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
30 1 1 . . . . . . . . . 8 . HG12 parsed_2m5l 1
30 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
31 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
31 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
32 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
32 1 2 . . . . . . . . . 9 . HN parsed_2m5l 1
33 1 1 . . . . . . . . . 8 . HB parsed_2m5l 1
33 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1
34 1 1 . . . . . . . . . 8 . HG11 parsed_2m5l 1
34 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1
35 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
35 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1
36 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
36 1 2 . . . . . . . . . 9 . HD1 parsed_2m5l 1
37 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1
37 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
38 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
38 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
39 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
39 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
40 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1
40 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1
41 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1
41 1 2 . . . . . . . . . 11 . HG1 parsed_2m5l 1
42 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
42 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1
43 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
43 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1
44 1 1 . . . . . . . . . 8 . HA parsed_2m5l 1
44 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1
45 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
45 1 2 . . . . . . . . . 14 . HD* parsed_2m5l 1
46 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
46 1 2 . . . . . . . . . 14 . HD* parsed_2m5l 1
47 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
47 1 2 . . . . . . . . . 14 . HE* parsed_2m5l 1
48 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
48 1 2 . . . . . . . . . 14 . HE* parsed_2m5l 1
49 1 1 . . . . . . . . . 8 . HD1# parsed_2m5l 1
49 1 2 . . . . . . . . . 15 . HD21 parsed_2m5l 1
50 1 1 . . . . . . . . . 8 . HG2# parsed_2m5l 1
50 1 2 . . . . . . . . . 15 . HD21 parsed_2m5l 1
51 1 1 . . . . . . . . . 9 . HN parsed_2m5l 1
51 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
52 1 1 . . . . . . . . . 9 . HA parsed_2m5l 1
52 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
53 1 1 . . . . . . . . . 9 . HB1 parsed_2m5l 1
53 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
54 1 1 . . . . . . . . . 9 . HB2 parsed_2m5l 1
54 1 2 . . . . . . . . . 10 . HN parsed_2m5l 1
55 1 1 . . . . . . . . . 9 . HH2 parsed_2m5l 1
55 1 2 . . . . . . . . . 10 . HA parsed_2m5l 1
56 1 1 . . . . . . . . . 9 . HH2 parsed_2m5l 1
56 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1
57 1 1 . . . . . . . . . 9 . HE3 parsed_2m5l 1
57 1 2 . . . . . . . . . 10 . HA parsed_2m5l 1
58 1 1 . . . . . . . . . 9 . HE3 parsed_2m5l 1
58 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1
59 1 1 . . . . . . . . . 9 . HZ3 parsed_2m5l 1
59 1 2 . . . . . . . . . 10 . HA parsed_2m5l 1
60 1 1 . . . . . . . . . 9 . HZ3 parsed_2m5l 1
60 1 2 . . . . . . . . . 10 . HB# parsed_2m5l 1
61 1 1 . . . . . . . . . 10 . HN parsed_2m5l 1
61 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1
62 1 1 . . . . . . . . . 10 . HA parsed_2m5l 1
62 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1
63 1 1 . . . . . . . . . 10 . HB# parsed_2m5l 1
63 1 2 . . . . . . . . . 11 . HN parsed_2m5l 1
64 1 1 . . . . . . . . . 10 . HB# parsed_2m5l 1
64 1 2 . . . . . . . . . 11 . HD# parsed_2m5l 1
65 1 1 . . . . . . . . . 11 . HN parsed_2m5l 1
65 1 2 . . . . . . . . . 12 . HD2 parsed_2m5l 1
66 1 1 . . . . . . . . . 11 . HN parsed_2m5l 1
66 1 2 . . . . . . . . . 12 . HG# parsed_2m5l 1
67 1 1 . . . . . . . . . 11 . HA parsed_2m5l 1
67 1 2 . . . . . . . . . 12 . HD1 parsed_2m5l 1
68 1 1 . . . . . . . . . 11 . HA parsed_2m5l 1
68 1 2 . . . . . . . . . 12 . HD2 parsed_2m5l 1
69 1 1 . . . . . . . . . 11 . HD# parsed_2m5l 1
69 1 2 . . . . . . . . . 14 . HD* parsed_2m5l 1
70 1 1 . . . . . . . . . 11 . HD# parsed_2m5l 1
70 1 2 . . . . . . . . . 14 . HE* parsed_2m5l 1
71 1 1 . . . . . . . . . 12 . HA parsed_2m5l 1
71 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1
72 1 1 . . . . . . . . . 12 . HB1 parsed_2m5l 1
72 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1
73 1 1 . . . . . . . . . 12 . HB2 parsed_2m5l 1
73 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1
74 1 1 . . . . . . . . . 12 . HG# parsed_2m5l 1
74 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1
75 1 1 . . . . . . . . . 12 . HD1 parsed_2m5l 1
75 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1
76 1 1 . . . . . . . . . 12 . HD2 parsed_2m5l 1
76 1 2 . . . . . . . . . 13 . HN parsed_2m5l 1
77 1 1 . . . . . . . . . 13 . HN parsed_2m5l 1
77 1 2 . . . . . . . . . 14 . HN parsed_2m5l 1
78 1 1 . . . . . . . . . 13 . HB# parsed_2m5l 1
78 1 2 . . . . . . . . . 14 . HN parsed_2m5l 1
79 1 1 . . . . . . . . . 14 . HN parsed_2m5l 1
79 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1
80 1 1 . . . . . . . . . 14 . HA parsed_2m5l 1
80 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1
81 1 1 . . . . . . . . . 14 . HB1 parsed_2m5l 1
81 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1
82 1 1 . . . . . . . . . 14 . HB2 parsed_2m5l 1
82 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1
83 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
83 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1
84 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
84 1 2 . . . . . . . . . 15 . HA parsed_2m5l 1
85 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
85 1 2 . . . . . . . . . 15 . HB2 parsed_2m5l 1
86 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
86 1 2 . . . . . . . . . 15 . HB1 parsed_2m5l 1
87 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
87 1 2 . . . . . . . . . 15 . HN parsed_2m5l 1
88 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
88 1 2 . . . . . . . . . 16 . HG# parsed_2m5l 1
89 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
89 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1
90 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
90 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1
91 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
91 1 2 . . . . . . . . . 16 . HG# parsed_2m5l 1
92 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
92 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1
93 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
93 1 2 . . . . . . . . . 17 . HB1 parsed_2m5l 1
94 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
94 1 2 . . . . . . . . . 17 . HB2 parsed_2m5l 1
95 1 1 . . . . . . . . . 14 . HD* parsed_2m5l 1
95 1 2 . . . . . . . . . 17 . HG# parsed_2m5l 1
96 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
96 1 2 . . . . . . . . . 17 . HB1 parsed_2m5l 1
97 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
97 1 2 . . . . . . . . . 17 . HG# parsed_2m5l 1
98 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
98 1 2 . . . . . . . . . 17 . HD1 parsed_2m5l 1
99 1 1 . . . . . . . . . 14 . HE* parsed_2m5l 1
99 1 2 . . . . . . . . . 17 . HD2 parsed_2m5l 1
100 1 1 . . . . . . . . . 15 . HN parsed_2m5l 1
100 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1
101 1 1 . . . . . . . . . 15 . HN parsed_2m5l 1
101 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1
102 1 1 . . . . . . . . . 15 . HA parsed_2m5l 1
102 1 2 . . . . . . . . . 16 . HG# parsed_2m5l 1
103 1 1 . . . . . . . . . 15 . HA parsed_2m5l 1
103 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1
104 1 1 . . . . . . . . . 15 . HA parsed_2m5l 1
104 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1
105 1 1 . . . . . . . . . 15 . HB1 parsed_2m5l 1
105 1 2 . . . . . . . . . 16 . HD1 parsed_2m5l 1
106 1 1 . . . . . . . . . 15 . HB1 parsed_2m5l 1
106 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1
107 1 1 . . . . . . . . . 15 . HB2 parsed_2m5l 1
107 1 2 . . . . . . . . . 16 . HD2 parsed_2m5l 1
108 1 1 . . . . . . . . . 16 . HA parsed_2m5l 1
108 1 2 . . . . . . . . . 17 . HD1 parsed_2m5l 1
109 1 1 . . . . . . . . . 16 . HA parsed_2m5l 1
109 1 2 . . . . . . . . . 17 . HD2 parsed_2m5l 1
110 1 1 . . . . . . . . . 17 . HA parsed_2m5l 1
110 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1
111 1 1 . . . . . . . . . 17 . HB1 parsed_2m5l 1
111 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1
112 1 1 . . . . . . . . . 17 . HB2 parsed_2m5l 1
112 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1
113 1 1 . . . . . . . . . 17 . HG# parsed_2m5l 1
113 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1
114 1 1 . . . . . . . . . 17 . HD1 parsed_2m5l 1
114 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1
115 1 1 . . . . . . . . . 17 . HD2 parsed_2m5l 1
115 1 2 . . . . . . . . . 18 . HN parsed_2m5l 1
116 1 1 . . . . . . . . . 18 . HA parsed_2m5l 1
116 1 2 . . . . . . . . . 19 . HN parsed_2m5l 1
117 1 1 . . . . . . . . . 19 . HN parsed_2m5l 1
117 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1
118 1 1 . . . . . . . . . 19 . HA parsed_2m5l 1
118 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1
119 1 1 . . . . . . . . . 19 . HB# parsed_2m5l 1
119 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1
120 1 1 . . . . . . . . . 19 . HD1# parsed_2m5l 1
120 1 2 . . . . . . . . . 20 . HN parsed_2m5l 1
121 1 1 . . . . . . . . . 19 . HD2# parsed_2m5l 1
121 1 2 . . . . . . . . . 20 . HN parsed_2m5l 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 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
2 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
3 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
4 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
5 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
6 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1
7 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
8 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
9 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
10 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
11 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
12 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
13 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
14 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
15 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
16 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
17 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
18 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
19 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
20 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
21 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
22 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
23 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
24 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
25 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
26 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
27 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
28 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
29 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
30 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
31 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
32 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
33 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
34 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
35 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
36 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
37 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
38 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
39 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
40 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1
41 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
42 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
43 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
44 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
45 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
46 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
47 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
48 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
49 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
50 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
51 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
52 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
53 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
54 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
55 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
56 1 . . . . . 2.8 1.8 4.1 parsed_2m5l 1
57 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
58 1 . . . . . 2.8 1.8 4.1 parsed_2m5l 1
59 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
60 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
61 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
62 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
63 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1
64 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
65 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
66 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
67 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
68 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
69 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
70 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
71 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
72 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
73 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
74 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1
75 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
76 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
77 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
78 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1
79 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
80 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
81 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
82 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
83 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
84 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
85 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
86 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
87 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
88 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
89 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
90 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
91 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
92 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
93 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
94 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
95 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
96 1 . . . . . 3.9 1.8 6.3 parsed_2m5l 1
97 1 . . . . . 5.0 1.8 8.5 parsed_2m5l 1
98 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
99 1 . . . . . 5.0 1.8 7.5 parsed_2m5l 1
100 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
101 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
102 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
103 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
104 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
105 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
106 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
107 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
108 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
109 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
110 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
111 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
112 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
113 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
114 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
115 1 . . . . . 5.0 1.8 5.5 parsed_2m5l 1
116 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
117 1 . . . . . 3.9 1.8 4.3 parsed_2m5l 1
118 1 . . . . . 2.8 1.8 3.1 parsed_2m5l 1
119 1 . . . . . 3.9 1.8 5.3 parsed_2m5l 1
120 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 1
121 1 . . . . . 5.0 1.8 6.5 parsed_2m5l 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 ns5aWT308_noe_iniSeq.txt
> SEQUENCE
KFPRAMPIWARPDYNPPLLE
> DISTANCE RESTRAINTS
class | [lower limit, upper limits[ | distance restraint
--------+-------------------------------+---------------------
weak | 1 , 3 | 5.0
medium | 4 , 5 | 3.9
strong | 6 , 9 | 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)
============================================================================
<========== K1 ==========>
<========== F2 ==========>
;
1 1 20 29 parsed_2m5l 1
2 "<========== P3 ==========>" 27 1 27 29 parsed_2m5l 1
3 "<========== R4 ==========>" 30 1 30 29 parsed_2m5l 1
4 "<========== A5 ==========>" 32 1 32 29 parsed_2m5l 1
5 "<========== M6 ==========>" 35 1 35 29 parsed_2m5l 1
6 "<========== P7 ==========>" 41 1 41 29 parsed_2m5l 1
7 "<========== I8 ==========>" 52 1 52 29 parsed_2m5l 1
8 "<========== W9 ==========>" 79 1 79 29 parsed_2m5l 1
9 "<========== A10 ==========>" 90 1 90 30 parsed_2m5l 1
10 "<========== R11 ==========>" 95 1 95 30 parsed_2m5l 1
11 "<========== P12 ==========>" 103 1 103 30 parsed_2m5l 1
12 "<========== D13 ==========>" 110 1 110 30 parsed_2m5l 1
13 "<========== Y14 ==========>" 113 1 113 30 parsed_2m5l 1
14 "<========== N15 ==========>" 137 1 137 30 parsed_2m5l 1
15 "<========== P16 ==========>" 146 1 146 30 parsed_2m5l 1
16 "<========== P17 ==========>" 149 1 149 30 parsed_2m5l 1
17 "<========== L18 ==========>" 156 1 156 30 parsed_2m5l 1
18 "<========== L19 ==========>" 158 1 158 30 parsed_2m5l 1
19 "<========== E20 ==========>!" 164 1 164 31 parsed_2m5l 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m5l
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.1 -23.1 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2m5l 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.4 186.4 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2m5l 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.3 -20.3 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2m5l 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 18.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2m5l 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.7 -62.7 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2m5l 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.8 48.2 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2m5l 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.6 -8.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2m5l 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.9 216.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2m5l 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.5 -39.9 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2m5l 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.7 183.7 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2m5l 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.3 -46.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2m5l 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 36.0 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2m5l 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.8 -13.8 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2m5l 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 93.4 173.4 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2m5l 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.4 -46.4 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2m5l 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.1 176.1 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2m5l 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.7 -29.7 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2m5l 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 193.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2m5l 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.4 -31.4 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2m5l 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.9 190.9 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2m5l 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
;
Angles Phi et Psi pour une helice:
Phi
assign (resid 1 and name C )(resid 2 and name N )
(resid 2 and name CA)(resid 2 and name C ) 1.0 -57.0 30.0 2
Psi
assign (resid 2 and name N )(resid 2 and name CA)
(resid 2 and name C )(resid 3 and name N ) 1.0 -47.0 30.0 2
;
4 1 12 2 parsed_2m5l 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
;
1 1 3 14 parsed_2m5l 1
2 end 54 1 54 3 parsed_2m5l 1
stop_
save_