Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
551818 | 2lne RC | 18162 | cing | 2-parsed | STAR | entry | full | 84 |
data_2lne_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lne
_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_2lne 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lne
_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 2lne "Master copy" parsed_2lne
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lne
_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 2lne.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lne 1
1 2lne.mr . . XPLOR/CNS 2 distance NOE simple 75 parsed_2lne 1
1 2lne.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_2lne 1
1 2lne.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lne 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_2lne
_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 NEUROPEPTIDE 27-DEC-11 2LNE
*TITLE NEUROTENSIN 40 STRUCTURES IN WATER PH 5.5 298 K. NMR DATA & STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NEUROTENSIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: NT;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: NTS;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
*KEYWDS NEUROTENSIN(NT), RECOMBINANT TECHNOLOGY, NEUROPEPTIDE
*EXPDTA SOLUTION NMR
*NUMMDL 40
*AUTHOR C.MUKHOPADHYAY, U.KHATUN
*REVDAT 1 14-NOV-12 2LNE 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lne
_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_2lne 1
2 1 . . . parsed_2lne 1
3 1 . . . parsed_2lne 1
4 1 . . . parsed_2lne 1
5 1 . . . parsed_2lne 1
6 1 . . . parsed_2lne 1
7 1 . . . parsed_2lne 1
8 1 . . . parsed_2lne 1
9 1 . . . parsed_2lne 1
10 1 . . . parsed_2lne 1
11 1 . . . parsed_2lne 1
12 1 . . . parsed_2lne 1
13 1 . . . parsed_2lne 1
14 1 . . . parsed_2lne 1
15 1 . . . parsed_2lne 1
16 1 . . . parsed_2lne 1
17 1 . . . parsed_2lne 1
18 1 . . . parsed_2lne 1
19 1 . . . parsed_2lne 1
20 1 . . . parsed_2lne 1
21 1 . . . parsed_2lne 1
22 1 . . . parsed_2lne 1
23 1 . . . parsed_2lne 1
24 1 . . . parsed_2lne 1
25 1 . . . parsed_2lne 1
26 1 . . . parsed_2lne 1
27 1 . . . parsed_2lne 1
28 1 . . . parsed_2lne 1
29 1 . . . parsed_2lne 1
30 1 . . . parsed_2lne 1
31 1 . . . parsed_2lne 1
32 1 . . . parsed_2lne 1
33 1 . . . parsed_2lne 1
34 1 . . . parsed_2lne 1
35 1 . . . parsed_2lne 1
36 1 . . . parsed_2lne 1
37 1 . . . parsed_2lne 1
38 1 . . . parsed_2lne 1
39 1 . . . parsed_2lne 1
40 1 . . . parsed_2lne 1
41 1 . . . parsed_2lne 1
42 1 . . . parsed_2lne 1
43 1 . . . parsed_2lne 1
44 1 . . . parsed_2lne 1
45 1 . . . parsed_2lne 1
46 1 . . . parsed_2lne 1
47 1 . . . parsed_2lne 1
48 1 . . . parsed_2lne 1
49 1 . . . parsed_2lne 1
50 1 . . . parsed_2lne 1
51 1 . . . parsed_2lne 1
52 1 . . . parsed_2lne 1
53 1 . . . parsed_2lne 1
54 1 . . . parsed_2lne 1
55 1 . . . parsed_2lne 1
56 1 . . . parsed_2lne 1
57 1 . . . parsed_2lne 1
58 1 . . . parsed_2lne 1
59 1 . . . parsed_2lne 1
60 1 . . . parsed_2lne 1
61 1 . . . parsed_2lne 1
62 1 . . . parsed_2lne 1
63 1 . . . parsed_2lne 1
64 1 . . . parsed_2lne 1
65 1 . . . parsed_2lne 1
66 1 . . . parsed_2lne 1
67 1 . . . parsed_2lne 1
68 1 . . . parsed_2lne 1
69 1 . . . parsed_2lne 1
70 1 . . . parsed_2lne 1
71 1 . . . parsed_2lne 1
72 1 . . . parsed_2lne 1
73 1 . . . parsed_2lne 1
74 1 . . . parsed_2lne 1
75 1 . . . parsed_2lne 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_2lne 1
1 1 2 . . . . . . . . . 1 . HB# parsed_2lne 1
2 1 1 . . . . . . . . . 1 . HB# parsed_2lne 1
2 1 2 . . . . . . . . . 1 . HG# parsed_2lne 1
3 1 1 . . . . . . . . . 2 . HA parsed_2lne 1
3 1 2 . . . . . . . . . 2 . HN parsed_2lne 1
4 1 1 . . . . . . . . . 2 . HB# parsed_2lne 1
4 1 2 . . . . . . . . . 2 . HD# parsed_2lne 1
5 1 1 . . . . . . . . . 2 . HN parsed_2lne 1
5 1 2 . . . . . . . . . 2 . HG# parsed_2lne 1
6 1 1 . . . . . . . . . 2 . HN parsed_2lne 1
6 1 2 . . . . . . . . . 2 . HD# parsed_2lne 1
7 1 1 . . . . . . . . . 2 . HA parsed_2lne 1
7 1 2 . . . . . . . . . 2 . HB# parsed_2lne 1
8 1 1 . . . . . . . . . 2 . HN parsed_2lne 1
8 1 2 . . . . . . . . . 2 . HB# parsed_2lne 1
9 1 1 . . . . . . . . . 2 . HG parsed_2lne 1
9 1 2 . . . . . . . . . 2 . HD# parsed_2lne 1
10 1 1 . . . . . . . . . 3 . HA parsed_2lne 1
10 1 2 . . . . . . . . . 3 . HB# parsed_2lne 1
11 1 1 . . . . . . . . . 3 . HD# parsed_2lne 1
11 1 2 . . . . . . . . . 3 . HE# parsed_2lne 1
12 1 1 . . . . . . . . . 3 . HA parsed_2lne 1
12 1 2 . . . . . . . . . 3 . HN parsed_2lne 1
13 1 1 . . . . . . . . . 3 . HB# parsed_2lne 1
13 1 2 . . . . . . . . . 3 . HN parsed_2lne 1
14 1 1 . . . . . . . . . 3 . HD# parsed_2lne 1
14 1 2 . . . . . . . . . 3 . HB# parsed_2lne 1
15 1 1 . . . . . . . . . 3 . HA parsed_2lne 1
15 1 2 . . . . . . . . . 3 . HD# parsed_2lne 1
16 1 1 . . . . . . . . . 4 . HA parsed_2lne 1
16 1 2 . . . . . . . . . 4 . HN parsed_2lne 1
17 1 1 . . . . . . . . . 4 . HB# parsed_2lne 1
17 1 2 . . . . . . . . . 4 . HA parsed_2lne 1
18 1 1 . . . . . . . . . 4 . HA parsed_2lne 1
18 1 2 . . . . . . . . . 4 . HG# parsed_2lne 1
19 1 1 . . . . . . . . . 5 . HA parsed_2lne 1
19 1 2 . . . . . . . . . 5 . HB# parsed_2lne 1
20 1 1 . . . . . . . . . 5 . HA parsed_2lne 1
20 1 2 . . . . . . . . . 5 . HN parsed_2lne 1
21 1 1 . . . . . . . . . 5 . HD# parsed_2lne 1
21 1 2 . . . . . . . . . 5 . HB# parsed_2lne 1
22 1 1 . . . . . . . . . 6 . HE# parsed_2lne 1
22 1 2 . . . . . . . . . 6 . HG# parsed_2lne 1
23 1 1 . . . . . . . . . 6 . HA parsed_2lne 1
23 1 2 . . . . . . . . . 6 . HB# parsed_2lne 1
24 1 1 . . . . . . . . . 6 . HA parsed_2lne 1
24 1 2 . . . . . . . . . 6 . HG# parsed_2lne 1
25 1 1 . . . . . . . . . 6 . HA parsed_2lne 1
25 1 2 . . . . . . . . . 6 . HD# parsed_2lne 1
26 1 1 . . . . . . . . . 6 . HB# parsed_2lne 1
26 1 2 . . . . . . . . . 6 . HG# parsed_2lne 1
27 1 1 . . . . . . . . . 6 . HE# parsed_2lne 1
27 1 2 . . . . . . . . . 6 . HB# parsed_2lne 1
28 1 1 . . . . . . . . . 7 . HD# parsed_2lne 1
28 1 2 . . . . . . . . . 7 . HG# parsed_2lne 1
29 1 1 . . . . . . . . . 7 . HD# parsed_2lne 1
29 1 2 . . . . . . . . . 7 . HB# parsed_2lne 1
30 1 1 . . . . . . . . . 7 . HA parsed_2lne 1
30 1 2 . . . . . . . . . 7 . HG# parsed_2lne 1
31 1 1 . . . . . . . . . 7 . HA parsed_2lne 1
31 1 2 . . . . . . . . . 7 . HB# parsed_2lne 1
32 1 1 . . . . . . . . . 8 . HA# parsed_2lne 1
32 1 2 . . . . . . . . . 8 . HD# parsed_2lne 1
33 1 1 . . . . . . . . . 8 . HG# parsed_2lne 1
33 1 2 . . . . . . . . . 8 . HD# parsed_2lne 1
34 1 1 . . . . . . . . . 8 . HB# parsed_2lne 1
34 1 2 . . . . . . . . . 8 . HD# parsed_2lne 1
35 1 1 . . . . . . . . . 9 . HA parsed_2lne 1
35 1 2 . . . . . . . . . 9 . HG# parsed_2lne 1
36 1 1 . . . . . . . . . 9 . HD# parsed_2lne 1
36 1 2 . . . . . . . . . 9 . HB# parsed_2lne 1
37 1 1 . . . . . . . . . 9 . HA parsed_2lne 1
37 1 2 . . . . . . . . . 9 . HD# parsed_2lne 1
38 1 1 . . . . . . . . . 9 . HN parsed_2lne 1
38 1 2 . . . . . . . . . 9 . HA parsed_2lne 1
39 1 1 . . . . . . . . . 10 . HA# parsed_2lne 1
39 1 2 . . . . . . . . . 10 . HB# parsed_2lne 1
40 1 1 . . . . . . . . . 10 . HD# parsed_2lne 1
40 1 2 . . . . . . . . . 10 . HG# parsed_2lne 1
41 1 1 . . . . . . . . . 10 . HD# parsed_2lne 1
41 1 2 . . . . . . . . . 10 . HB# parsed_2lne 1
42 1 1 . . . . . . . . . 11 . HA parsed_2lne 1
42 1 2 . . . . . . . . . 11 . HN parsed_2lne 1
43 1 1 . . . . . . . . . 11 . HA parsed_2lne 1
43 1 2 . . . . . . . . . 11 . HD# parsed_2lne 1
44 1 1 . . . . . . . . . 11 . HD# parsed_2lne 1
44 1 2 . . . . . . . . . 11 . HE# parsed_2lne 1
45 1 1 . . . . . . . . . 11 . HB# parsed_2lne 1
45 1 2 . . . . . . . . . 11 . HN parsed_2lne 1
46 1 1 . . . . . . . . . 11 . HA parsed_2lne 1
46 1 2 . . . . . . . . . 11 . HB# parsed_2lne 1
47 1 1 . . . . . . . . . 11 . HB# parsed_2lne 1
47 1 2 . . . . . . . . . 11 . HD# parsed_2lne 1
48 1 1 . . . . . . . . . 12 . HB# parsed_2lne 1
48 1 2 . . . . . . . . . 12 . HN parsed_2lne 1
49 1 1 . . . . . . . . . 12 . HA parsed_2lne 1
49 1 2 . . . . . . . . . 12 . HB# parsed_2lne 1
50 1 1 . . . . . . . . . 13 . HA parsed_2lne 1
50 1 2 . . . . . . . . . 13 . HB# parsed_2lne 1
51 1 1 . . . . . . . . . 13 . HA parsed_2lne 1
51 1 2 . . . . . . . . . 13 . HN parsed_2lne 1
52 1 1 . . . . . . . . . 13 . HB# parsed_2lne 1
52 1 2 . . . . . . . . . 13 . HN parsed_2lne 1
53 1 1 . . . . . . . . . 13 . HD# parsed_2lne 1
53 1 2 . . . . . . . . . 13 . HN parsed_2lne 1
54 1 1 . . . . . . . . . 1 . HA parsed_2lne 1
54 1 2 . . . . . . . . . 2 . HG# parsed_2lne 1
55 1 1 . . . . . . . . . 2 . HA parsed_2lne 1
55 1 2 . . . . . . . . . 1 . HG# parsed_2lne 1
56 1 1 . . . . . . . . . 6 . HN parsed_2lne 1
56 1 2 . . . . . . . . . 5 . HA parsed_2lne 1
57 1 1 . . . . . . . . . 7 . HB# parsed_2lne 1
57 1 2 . . . . . . . . . 6 . HB# parsed_2lne 1
58 1 1 . . . . . . . . . 7 . HD# parsed_2lne 1
58 1 2 . . . . . . . . . 9 . HA parsed_2lne 1
59 1 1 . . . . . . . . . 7 . HD# parsed_2lne 1
59 1 2 . . . . . . . . . 6 . HA parsed_2lne 1
60 1 1 . . . . . . . . . 7 . HD# parsed_2lne 1
60 1 2 . . . . . . . . . 8 . HB# parsed_2lne 1
61 1 1 . . . . . . . . . 7 . HD# parsed_2lne 1
61 1 2 . . . . . . . . . 8 . HB# parsed_2lne 1
62 1 1 . . . . . . . . . 8 . HN parsed_2lne 1
62 1 2 . . . . . . . . . 10 . HA parsed_2lne 1
63 1 1 . . . . . . . . . 8 . HA parsed_2lne 1
63 1 2 . . . . . . . . . 6 . HB# parsed_2lne 1
64 1 1 . . . . . . . . . 8 . HD# parsed_2lne 1
64 1 2 . . . . . . . . . 9 . HB# parsed_2lne 1
65 1 1 . . . . . . . . . 8 . HA parsed_2lne 1
65 1 2 . . . . . . . . . 7 . HG# parsed_2lne 1
66 1 1 . . . . . . . . . 9 . HA parsed_2lne 1
66 1 2 . . . . . . . . . 10 . HD# parsed_2lne 1
67 1 1 . . . . . . . . . 9 . HD# parsed_2lne 1
67 1 2 . . . . . . . . . 8 . HG# parsed_2lne 1
68 1 1 . . . . . . . . . 9 . HD# parsed_2lne 1
68 1 2 . . . . . . . . . 8 . HB# parsed_2lne 1
69 1 1 . . . . . . . . . 10 . HD# parsed_2lne 1
69 1 2 . . . . . . . . . 9 . HA parsed_2lne 1
70 1 1 . . . . . . . . . 10 . HD# parsed_2lne 1
70 1 2 . . . . . . . . . 12 . HB# parsed_2lne 1
71 1 1 . . . . . . . . . 11 . HA parsed_2lne 1
71 1 2 . . . . . . . . . 13 . HB# parsed_2lne 1
72 1 1 . . . . . . . . . 12 . HN parsed_2lne 1
72 1 2 . . . . . . . . . 11 . HB parsed_2lne 1
73 1 1 . . . . . . . . . 12 . HN parsed_2lne 1
73 1 2 . . . . . . . . . 11 . HA parsed_2lne 1
74 1 1 . . . . . . . . . 13 . HN parsed_2lne 1
74 1 2 . . . . . . . . . 12 . HB# parsed_2lne 1
75 1 1 . . . . . . . . . 13 . HB# parsed_2lne 1
75 1 2 . . . . . . . . . 12 . HG# parsed_2lne 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 . . . . . 4 1.8 4.0 parsed_2lne 1
2 1 . . . . . 3 1.8 3.5 parsed_2lne 1
3 1 . . . . . 4 1.8 4.0 parsed_2lne 1
4 1 . . . . . 4 1.8 4.0 parsed_2lne 1
5 1 . . . . . 4 1.8 5.0 parsed_2lne 1
6 1 . . . . . 4 1.8 6.0 parsed_2lne 1
7 1 . . . . . 4 1.8 5.0 parsed_2lne 1
8 1 . . . . . 4 1.8 4.0 parsed_2lne 1
9 1 . . . . . 4 1.8 5.0 parsed_2lne 1
10 1 . . . . . 4 1.8 5.0 parsed_2lne 1
11 1 . . . . . 4 1.8 5.0 parsed_2lne 1
12 1 . . . . . 4 1.8 5.0 parsed_2lne 1
13 1 . . . . . 4 1.8 5.0 parsed_2lne 1
14 1 . . . . . 4 1.8 4.0 parsed_2lne 1
15 1 . . . . . 4 1.8 4.0 parsed_2lne 1
16 1 . . . . . 3 1.8 3.5 parsed_2lne 1
17 1 . . . . . 4 1.8 5.0 parsed_2lne 1
18 1 . . . . . 4 1.8 5.0 parsed_2lne 1
19 1 . . . . . 4 1.8 5.0 parsed_2lne 1
20 1 . . . . . 3 1.8 3.5 parsed_2lne 1
21 1 . . . . . 4 1.8 4.0 parsed_2lne 1
22 1 . . . . . 4 1.8 5.0 parsed_2lne 1
23 1 . . . . . 3 1.8 3.5 parsed_2lne 1
24 1 . . . . . 3 1.8 3.5 parsed_2lne 1
25 1 . . . . . 4 1.8 4.0 parsed_2lne 1
26 1 . . . . . 4 1.8 5.0 parsed_2lne 1
27 1 . . . . . 4 1.8 6.0 parsed_2lne 1
28 1 . . . . . 4 1.8 5.0 parsed_2lne 1
29 1 . . . . . 4 1.8 5.0 parsed_2lne 1
30 1 . . . . . 4 1.8 4.0 parsed_2lne 1
31 1 . . . . . 4 1.8 4.0 parsed_2lne 1
32 1 . . . . . 4 1.8 5.0 parsed_2lne 1
33 1 . . . . . 4 1.8 5.0 parsed_2lne 1
34 1 . . . . . 4 1.8 6.0 parsed_2lne 1
35 1 . . . . . 3 1.8 3.5 parsed_2lne 1
36 1 . . . . . 4 1.8 5.0 parsed_2lne 1
37 1 . . . . . 4 1.8 5.0 parsed_2lne 1
38 1 . . . . . 4 1.8 5.0 parsed_2lne 1
39 1 . . . . . 4 1.8 5.0 parsed_2lne 1
40 1 . . . . . 4 1.8 5.0 parsed_2lne 1
41 1 . . . . . 4 1.8 5.0 parsed_2lne 1
42 1 . . . . . 4 1.8 4.0 parsed_2lne 1
43 1 . . . . . 4 1.8 4.0 parsed_2lne 1
44 1 . . . . . 4 1.8 5.0 parsed_2lne 1
45 1 . . . . . 4 1.8 5.0 parsed_2lne 1
46 1 . . . . . 4 1.8 5.0 parsed_2lne 1
47 1 . . . . . 4 1.8 6.0 parsed_2lne 1
48 1 . . . . . 4 1.8 5.0 parsed_2lne 1
49 1 . . . . . 4 1.8 5.0 parsed_2lne 1
50 1 . . . . . 4 1.8 5.0 parsed_2lne 1
51 1 . . . . . 4 1.8 5.0 parsed_2lne 1
52 1 . . . . . 4 1.8 5.0 parsed_2lne 1
53 1 . . . . . 4 1.8 6.0 parsed_2lne 1
54 1 . . . . . 4 1.8 5.0 parsed_2lne 1
55 1 . . . . . 4 1.8 5.0 parsed_2lne 1
56 1 . . . . . 3 1.8 3.5 parsed_2lne 1
57 1 . . . . . 4 1.8 5.0 parsed_2lne 1
58 1 . . . . . 4 1.8 5.0 parsed_2lne 1
59 1 . . . . . 4 1.8 5.0 parsed_2lne 1
60 1 . . . . . 4 1.8 6.0 parsed_2lne 1
61 1 . . . . . 4 1.8 6.0 parsed_2lne 1
62 1 . . . . . 4 1.8 5.0 parsed_2lne 1
63 1 . . . . . 4 1.8 5.0 parsed_2lne 1
64 1 . . . . . 4 1.8 5.0 parsed_2lne 1
65 1 . . . . . 4 1.8 4.0 parsed_2lne 1
66 1 . . . . . 4 1.8 4.0 parsed_2lne 1
67 1 . . . . . 4 1.8 5.0 parsed_2lne 1
68 1 . . . . . 4 1.8 6.0 parsed_2lne 1
69 1 . . . . . 4 1.8 4.0 parsed_2lne 1
70 1 . . . . . 4 1.8 5.0 parsed_2lne 1
71 1 . . . . . 4 1.8 6.0 parsed_2lne 1
72 1 . . . . . 4 1.8 5.0 parsed_2lne 1
73 1 . . . . . 4 1.8 5.0 parsed_2lne 1
74 1 . . . . . 4 1.8 6.0 parsed_2lne 1
75 1 . . . . . 4 1.8 5.0 parsed_2lne 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
;
echo=false
wrnlev=0
;
1 1 2 16 parsed_2lne 1
2
;
Restraints dihedral set
intraresidue i-i
;
3 1 5 19 parsed_2lne 1
3 "interresidue i-j" 63 1 63 19 parsed_2lne 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lne
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -46.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2lne 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -48.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2lne 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -65.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2lne 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -48.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2lne 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -48.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2lne 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -64.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2lne 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -65.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2lne 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -46.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2lne 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -63.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2lne 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
;
echo=true
wrnlev=5
;
1 1 2 16 parsed_2lne 1
2
;
!
! Phi restraints: minimum deviation = 30 degrees
! 2
;
6 1 9 10 parsed_2lne 1
3 "! 3" 13 3 13 10 parsed_2lne 1
4 "! 4" 17 3 17 10 parsed_2lne 1
5 "! 6" 21 3 21 10 parsed_2lne 1
6 "! 8" 25 4 25 20 parsed_2lne 1
7 "! 9" 29 4 29 10 parsed_2lne 1
8 "! 11" 33 3 33 17 parsed_2lne 1
9 "! 12" 37 3 37 33 parsed_2lne 1
10 "! 13" 41 2 41 11 parsed_2lne 1
stop_
save_