NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
569565 |
2m3i   |
18964 | cing | 2-parsed | STAR | entry | full | 83 |
data_2m3i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m3i
_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_2m3i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m3i
_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 2m3i "Master copy" parsed_2m3i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m3i
_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 2m3i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3i 1
1 2m3i.mr . . XPLOR/CNS 2 distance NOE simple 78 parsed_2m3i 1
1 2m3i.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 5 parsed_2m3i 1
1 2m3i.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3i 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_2m3i
_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 TOXIN 20-JAN-13 2M3I
*TITLE CHARACTERIZATION OF A NOVEL ALPHA4/6-CONOTOXIN TXIC FROM CONUS TEXTILE
*TITLE 2 THAT POTENTLY BLOCKS ALPHA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTORS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS LIVIDUS;
*SOURCE 4 ORGANISM_TAXID: 89426
*KEYWDS ALPHA-CONOTOXIN, ALPHA-HELIX, DISULFIDE BONDS, AMIDATED C-TERMINUS,
*KEYWDS 2 TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR S.LUO, D.ZHANGSUN, X.ZHU, Y.WU, Y.HU, S.CHRISTENSEN, M.AKCAN,
*AUTHOR 2 D.J.CRAIK, J.M.MCINTOSH
*REVDAT 1 04-DEC-13 2M3I 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m3i
_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_2m3i 1
2 1 . . . parsed_2m3i 1
3 1 . . . parsed_2m3i 1
4 1 . . . parsed_2m3i 1
5 1 . . . parsed_2m3i 1
6 1 . . . parsed_2m3i 1
7 1 . . . parsed_2m3i 1
8 1 . . . parsed_2m3i 1
9 1 . . . parsed_2m3i 1
10 1 . . . parsed_2m3i 1
11 1 . . . parsed_2m3i 1
12 1 . . . parsed_2m3i 1
13 1 . . . parsed_2m3i 1
14 1 . . . parsed_2m3i 1
15 1 . . . parsed_2m3i 1
16 1 . . . parsed_2m3i 1
17 1 . . . parsed_2m3i 1
18 1 . . . parsed_2m3i 1
19 1 . . . parsed_2m3i 1
20 1 . . . parsed_2m3i 1
21 1 . . . parsed_2m3i 1
22 1 . . . parsed_2m3i 1
23 1 . . . parsed_2m3i 1
24 1 . . . parsed_2m3i 1
25 1 . . . parsed_2m3i 1
26 1 . . . parsed_2m3i 1
27 1 . . . parsed_2m3i 1
28 1 . . . parsed_2m3i 1
29 1 . . . parsed_2m3i 1
30 1 . . . parsed_2m3i 1
31 1 . . . parsed_2m3i 1
32 1 . . . parsed_2m3i 1
33 1 . . . parsed_2m3i 1
34 1 . . . parsed_2m3i 1
35 1 . . . parsed_2m3i 1
36 1 . . . parsed_2m3i 1
37 1 . . . parsed_2m3i 1
38 1 . . . parsed_2m3i 1
39 1 . . . parsed_2m3i 1
40 1 . . . parsed_2m3i 1
41 1 . . . parsed_2m3i 1
42 1 . . . parsed_2m3i 1
43 1 . . . parsed_2m3i 1
44 1 . . . parsed_2m3i 1
45 1 . . . parsed_2m3i 1
46 1 . . . parsed_2m3i 1
47 1 . . . parsed_2m3i 1
48 1 . . . parsed_2m3i 1
49 1 . . . parsed_2m3i 1
50 1 . . . parsed_2m3i 1
51 1 . . . parsed_2m3i 1
52 1 . . . parsed_2m3i 1
53 1 . . . parsed_2m3i 1
54 1 . . . parsed_2m3i 1
55 1 . . . parsed_2m3i 1
56 1 . . . parsed_2m3i 1
57 1 . . . parsed_2m3i 1
58 1 . . . parsed_2m3i 1
59 1 . . . parsed_2m3i 1
60 1 . . . parsed_2m3i 1
61 1 . . . parsed_2m3i 1
62 1 . . . parsed_2m3i 1
63 1 . . . parsed_2m3i 1
64 1 . . . parsed_2m3i 1
65 1 . . . parsed_2m3i 1
66 1 . . . parsed_2m3i 1
67 1 . . . parsed_2m3i 1
68 1 . . . parsed_2m3i 1
69 1 . . . parsed_2m3i 1
70 1 . . . parsed_2m3i 1
71 1 . . . parsed_2m3i 1
72 1 . . . parsed_2m3i 1
73 1 . . . parsed_2m3i 1
74 1 . . . parsed_2m3i 1
75 1 . . . parsed_2m3i 1
76 1 . . . parsed_2m3i 1
77 1 . . . parsed_2m3i 1
78 1 . . . parsed_2m3i 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 . . . . . . . . . 5 . HN parsed_2m3i 1
1 1 2 . . . . . . . . . 5 . HB1 parsed_2m3i 1
2 1 1 . . . . . . . . . 5 . HN parsed_2m3i 1
2 1 2 . . . . . . . . . 5 . HB2 parsed_2m3i 1
3 1 1 . . . . . . . . . 15 . HN parsed_2m3i 1
3 1 2 . . . . . . . . . 15 . HB1 parsed_2m3i 1
4 1 1 . . . . . . . . . 15 . HN parsed_2m3i 1
4 1 2 . . . . . . . . . 15 . HB2 parsed_2m3i 1
5 1 1 . . . . . . . . . 14 . HB parsed_2m3i 1
5 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
6 1 1 . . . . . . . . . 14 . HN parsed_2m3i 1
6 1 2 . . . . . . . . . 14 . HB parsed_2m3i 1
7 1 1 . . . . . . . . . 14 . HA parsed_2m3i 1
7 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
8 1 1 . . . . . . . . . 14 . HN parsed_2m3i 1
8 1 2 . . . . . . . . . 14 . HA parsed_2m3i 1
9 1 1 . . . . . . . . . 14 . HN parsed_2m3i 1
9 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
10 1 1 . . . . . . . . . 12 . HN parsed_2m3i 1
10 1 2 . . . . . . . . . 12 . HB1 parsed_2m3i 1
11 1 1 . . . . . . . . . 12 . HN parsed_2m3i 1
11 1 2 . . . . . . . . . 12 . HB2 parsed_2m3i 1
12 1 1 . . . . . . . . . 13 . HA parsed_2m3i 1
12 1 2 . . . . . . . . . 14 . HN parsed_2m3i 1
13 1 1 . . . . . . . . . 12 . HA parsed_2m3i 1
13 1 2 . . . . . . . . . 14 . HN parsed_2m3i 1
14 1 1 . . . . . . . . . 11 . HA parsed_2m3i 1
14 1 2 . . . . . . . . . 12 . HN parsed_2m3i 1
15 1 1 . . . . . . . . . 11 . HN parsed_2m3i 1
15 1 2 . . . . . . . . . 11 . HB2 parsed_2m3i 1
16 1 1 . . . . . . . . . 11 . HN parsed_2m3i 1
16 1 2 . . . . . . . . . 11 . HB1 parsed_2m3i 1
17 1 1 . . . . . . . . . 11 . HB1 parsed_2m3i 1
17 1 2 . . . . . . . . . 12 . HN parsed_2m3i 1
18 1 1 . . . . . . . . . 11 . HB2 parsed_2m3i 1
18 1 2 . . . . . . . . . 12 . HN parsed_2m3i 1
19 1 1 . . . . . . . . . 4 . HN parsed_2m3i 1
19 1 2 . . . . . . . . . 5 . HN parsed_2m3i 1
20 1 1 . . . . . . . . . 3 . HN parsed_2m3i 1
20 1 2 . . . . . . . . . 3 . HB1 parsed_2m3i 1
21 1 1 . . . . . . . . . 3 . HN parsed_2m3i 1
21 1 2 . . . . . . . . . 3 . HB2 parsed_2m3i 1
22 1 1 . . . . . . . . . 3 . HB2 parsed_2m3i 1
22 1 2 . . . . . . . . . 4 . HN parsed_2m3i 1
23 1 1 . . . . . . . . . 3 . HB1 parsed_2m3i 1
23 1 2 . . . . . . . . . 4 . HN parsed_2m3i 1
24 1 1 . . . . . . . . . 3 . HN parsed_2m3i 1
24 1 2 . . . . . . . . . 3 . HA parsed_2m3i 1
25 1 1 . . . . . . . . . 2 . HB1 parsed_2m3i 1
25 1 2 . . . . . . . . . 3 . HN parsed_2m3i 1
26 1 1 . . . . . . . . . 2 . HB2 parsed_2m3i 1
26 1 2 . . . . . . . . . 3 . HN parsed_2m3i 1
27 1 1 . . . . . . . . . 4 . HN parsed_2m3i 1
27 1 2 . . . . . . . . . 4 . HB# parsed_2m3i 1
28 1 1 . . . . . . . . . 4 . HB# parsed_2m3i 1
28 1 2 . . . . . . . . . 5 . HN parsed_2m3i 1
29 1 1 . . . . . . . . . 4 . HA parsed_2m3i 1
29 1 2 . . . . . . . . . 5 . HN parsed_2m3i 1
30 1 1 . . . . . . . . . 7 . HN parsed_2m3i 1
30 1 2 . . . . . . . . . 7 . HB parsed_2m3i 1
31 1 1 . . . . . . . . . 9 . HA parsed_2m3i 1
31 1 2 . . . . . . . . . 10 . HN parsed_2m3i 1
32 1 1 . . . . . . . . . 9 . HN parsed_2m3i 1
32 1 2 . . . . . . . . . 9 . HA parsed_2m3i 1
33 1 1 . . . . . . . . . 9 . HN parsed_2m3i 1
33 1 2 . . . . . . . . . 9 . HB# parsed_2m3i 1
34 1 1 . . . . . . . . . 9 . HN parsed_2m3i 1
34 1 2 . . . . . . . . . 10 . HN parsed_2m3i 1
35 1 1 . . . . . . . . . 9 . HA parsed_2m3i 1
35 1 2 . . . . . . . . . 12 . HN parsed_2m3i 1
36 1 1 . . . . . . . . . 10 . HA parsed_2m3i 1
36 1 2 . . . . . . . . . 12 . HN parsed_2m3i 1
37 1 1 . . . . . . . . . 5 . HN parsed_2m3i 1
37 1 2 . . . . . . . . . 9 . HA parsed_2m3i 1
38 1 1 . . . . . . . . . 8 . HN parsed_2m3i 1
38 1 2 . . . . . . . . . 9 . HN parsed_2m3i 1
39 1 1 . . . . . . . . . 8 . HN parsed_2m3i 1
39 1 2 . . . . . . . . . 8 . HB2 parsed_2m3i 1
40 1 1 . . . . . . . . . 8 . HN parsed_2m3i 1
40 1 2 . . . . . . . . . 8 . HB1 parsed_2m3i 1
41 1 1 . . . . . . . . . 13 . HA parsed_2m3i 1
41 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
42 1 1 . . . . . . . . . 2 . HN parsed_2m3i 1
42 1 2 . . . . . . . . . 2 . HB2 parsed_2m3i 1
43 1 1 . . . . . . . . . 2 . HN parsed_2m3i 1
43 1 2 . . . . . . . . . 2 . HB1 parsed_2m3i 1
44 1 1 . . . . . . . . . 2 . HN parsed_2m3i 1
44 1 2 . . . . . . . . . 3 . HN parsed_2m3i 1
45 1 1 . . . . . . . . . 14 . HG11 parsed_2m3i 1
45 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
46 1 1 . . . . . . . . . 14 . HG12 parsed_2m3i 1
46 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
47 1 1 . . . . . . . . . 5 . HA parsed_2m3i 1
47 1 2 . . . . . . . . . 5 . HD2 parsed_2m3i 1
48 1 1 . . . . . . . . . 13 . HD# parsed_2m3i 1
48 1 2 . . . . . . . . . 14 . HN parsed_2m3i 1
49 1 1 . . . . . . . . . 11 . HN parsed_2m3i 1
49 1 2 . . . . . . . . . 11 . HG1 parsed_2m3i 1
50 1 1 . . . . . . . . . 11 . HN parsed_2m3i 1
50 1 2 . . . . . . . . . 11 . HG2 parsed_2m3i 1
51 1 1 . . . . . . . . . 3 . HA parsed_2m3i 1
51 1 2 . . . . . . . . . 9 . HB# parsed_2m3i 1
52 1 1 . . . . . . . . . 14 . HG2# parsed_2m3i 1
52 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
53 1 1 . . . . . . . . . 14 . HN parsed_2m3i 1
53 1 2 . . . . . . . . . 14 . HG2# parsed_2m3i 1
54 1 1 . . . . . . . . . 7 . HA parsed_2m3i 1
54 1 2 . . . . . . . . . 10 . HB# parsed_2m3i 1
55 1 1 . . . . . . . . . 10 . HN parsed_2m3i 1
55 1 2 . . . . . . . . . 10 . HB# parsed_2m3i 1
56 1 1 . . . . . . . . . 9 . HN parsed_2m3i 1
56 1 2 . . . . . . . . . 10 . HB# parsed_2m3i 1
57 1 1 . . . . . . . . . 2 . HN parsed_2m3i 1
57 1 2 . . . . . . . . . 2 . HB# parsed_2m3i 1
58 1 1 . . . . . . . . . 2 . HB# parsed_2m3i 1
58 1 2 . . . . . . . . . 4 . HN parsed_2m3i 1
59 1 1 . . . . . . . . . 2 . HB# parsed_2m3i 1
59 1 2 . . . . . . . . . 8 . HB# parsed_2m3i 1
60 1 1 . . . . . . . . . 3 . HN parsed_2m3i 1
60 1 2 . . . . . . . . . 3 . HB# parsed_2m3i 1
61 1 1 . . . . . . . . . 3 . HB# parsed_2m3i 1
61 1 2 . . . . . . . . . 4 . HN parsed_2m3i 1
62 1 1 . . . . . . . . . 5 . HN parsed_2m3i 1
62 1 2 . . . . . . . . . 5 . HB# parsed_2m3i 1
63 1 1 . . . . . . . . . 5 . HA parsed_2m3i 1
63 1 2 . . . . . . . . . 6 . HD# parsed_2m3i 1
64 1 1 . . . . . . . . . 5 . HB# parsed_2m3i 1
64 1 2 . . . . . . . . . 5 . HD2 parsed_2m3i 1
65 1 1 . . . . . . . . . 5 . HB# parsed_2m3i 1
65 1 2 . . . . . . . . . 6 . HD# parsed_2m3i 1
66 1 1 . . . . . . . . . 8 . HN parsed_2m3i 1
66 1 2 . . . . . . . . . 8 . HB# parsed_2m3i 1
67 1 1 . . . . . . . . . 8 . HB# parsed_2m3i 1
67 1 2 . . . . . . . . . 9 . HN parsed_2m3i 1
68 1 1 . . . . . . . . . 9 . HA parsed_2m3i 1
68 1 2 . . . . . . . . . 15 . HB# parsed_2m3i 1
69 1 1 . . . . . . . . . 10 . HA parsed_2m3i 1
69 1 2 . . . . . . . . . 13 . HG# parsed_2m3i 1
70 1 1 . . . . . . . . . 11 . HN parsed_2m3i 1
70 1 2 . . . . . . . . . 11 . HB# parsed_2m3i 1
71 1 1 . . . . . . . . . 11 . HN parsed_2m3i 1
71 1 2 . . . . . . . . . 11 . HG# parsed_2m3i 1
72 1 1 . . . . . . . . . 11 . HB# parsed_2m3i 1
72 1 2 . . . . . . . . . 12 . HN parsed_2m3i 1
73 1 1 . . . . . . . . . 12 . HA parsed_2m3i 1
73 1 2 . . . . . . . . . 12 . HB# parsed_2m3i 1
74 1 1 . . . . . . . . . 12 . HB# parsed_2m3i 1
74 1 2 . . . . . . . . . 14 . HN parsed_2m3i 1
75 1 1 . . . . . . . . . 12 . HB# parsed_2m3i 1
75 1 2 . . . . . . . . . 15 . HN parsed_2m3i 1
76 1 1 . . . . . . . . . 13 . HG# parsed_2m3i 1
76 1 2 . . . . . . . . . 14 . HN parsed_2m3i 1
77 1 1 . . . . . . . . . 14 . HN parsed_2m3i 1
77 1 2 . . . . . . . . . 14 . HG1# parsed_2m3i 1
78 1 1 . . . . . . . . . 15 . HN parsed_2m3i 1
78 1 2 . . . . . . . . . 15 . HB# parsed_2m3i 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.470 1.800 3.140 parsed_2m3i 1
2 1 . . . . . 2.470 1.800 3.140 parsed_2m3i 1
3 1 . . . . . 2.550 1.800 3.300 parsed_2m3i 1
4 1 . . . . . 2.550 1.800 3.300 parsed_2m3i 1
5 1 . . . . . 2.705 1.800 3.610 parsed_2m3i 1
6 1 . . . . . 2.300 1.800 2.800 parsed_2m3i 1
7 1 . . . . . 2.455 1.800 3.110 parsed_2m3i 1
8 1 . . . . . 2.300 1.800 2.800 parsed_2m3i 1
9 1 . . . . . 2.270 1.800 2.740 parsed_2m3i 1
10 1 . . . . . 2.365 1.800 2.930 parsed_2m3i 1
11 1 . . . . . 2.365 1.800 2.930 parsed_2m3i 1
12 1 . . . . . 2.565 1.800 3.330 parsed_2m3i 1
13 1 . . . . . 2.905 1.800 4.010 parsed_2m3i 1
14 1 . . . . . 2.535 1.800 3.270 parsed_2m3i 1
15 1 . . . . . 2.765 1.800 3.730 parsed_2m3i 1
16 1 . . . . . 2.765 1.800 3.730 parsed_2m3i 1
17 1 . . . . . 3.000 1.800 4.200 parsed_2m3i 1
18 1 . . . . . 3.000 1.800 4.200 parsed_2m3i 1
19 1 . . . . . 2.315 1.800 2.830 parsed_2m3i 1
20 1 . . . . . 2.660 1.800 3.520 parsed_2m3i 1
21 1 . . . . . 2.660 1.800 3.520 parsed_2m3i 1
22 1 . . . . . 2.890 1.800 3.980 parsed_2m3i 1
23 1 . . . . . 2.890 1.800 3.980 parsed_2m3i 1
24 1 . . . . . 2.285 1.800 2.770 parsed_2m3i 1
25 1 . . . . . 2.625 1.800 3.450 parsed_2m3i 1
26 1 . . . . . 2.625 1.800 3.450 parsed_2m3i 1
27 1 . . . . . 2.975 1.800 4.150 parsed_2m3i 1
28 1 . . . . . 3.315 1.800 4.830 parsed_2m3i 1
29 1 . . . . . 2.640 1.800 3.480 parsed_2m3i 1
30 1 . . . . . 2.735 1.800 3.670 parsed_2m3i 1
31 1 . . . . . 2.660 1.800 3.520 parsed_2m3i 1
32 1 . . . . . 2.255 1.800 2.710 parsed_2m3i 1
33 1 . . . . . 2.835 1.800 3.870 parsed_2m3i 1
34 1 . . . . . 2.410 1.800 3.020 parsed_2m3i 1
35 1 . . . . . 2.815 1.800 3.830 parsed_2m3i 1
36 1 . . . . . 3.125 1.800 4.450 parsed_2m3i 1
37 1 . . . . . 3.260 1.800 4.720 parsed_2m3i 1
38 1 . . . . . 2.145 1.800 2.490 parsed_2m3i 1
39 1 . . . . . 2.905 1.800 4.010 parsed_2m3i 1
40 1 . . . . . 2.905 1.800 4.010 parsed_2m3i 1
41 1 . . . . . 2.845 1.800 3.890 parsed_2m3i 1
42 1 . . . . . 2.535 1.800 3.270 parsed_2m3i 1
43 1 . . . . . 2.535 1.800 3.270 parsed_2m3i 1
44 1 . . . . . 2.690 1.800 3.580 parsed_2m3i 1
45 1 . . . . . 3.650 1.800 5.500 parsed_2m3i 1
46 1 . . . . . 3.650 1.800 5.500 parsed_2m3i 1
47 1 . . . . . 3.465 1.800 5.130 parsed_2m3i 1
48 1 . . . . . 3.395 1.800 4.990 parsed_2m3i 1
49 1 . . . . . 3.355 1.800 4.910 parsed_2m3i 1
50 1 . . . . . 3.355 1.800 4.910 parsed_2m3i 1
51 1 . . . . . 3.595 1.800 5.390 parsed_2m3i 1
52 1 . . . . . 3.820 1.800 5.840 parsed_2m3i 1
53 1 . . . . . 3.200 1.800 4.600 parsed_2m3i 1
54 1 . . . . . 3.525 1.800 5.250 parsed_2m3i 1
55 1 . . . . . 2.980 1.800 4.160 parsed_2m3i 1
56 1 . . . . . 4.160 1.800 6.520 parsed_2m3i 1
57 1 . . . . . 2.285 1.800 2.770 parsed_2m3i 1
58 1 . . . . . 2.975 1.800 4.150 parsed_2m3i 1
59 1 . . . . . 2.145 1.800 2.490 parsed_2m3i 1
60 1 . . . . . 2.305 1.800 2.810 parsed_2m3i 1
61 1 . . . . . 2.620 1.800 3.440 parsed_2m3i 1
62 1 . . . . . 2.235 1.800 2.670 parsed_2m3i 1
63 1 . . . . . 2.210 1.800 2.620 parsed_2m3i 1
64 1 . . . . . 2.515 1.800 3.230 parsed_2m3i 1
65 1 . . . . . 2.705 1.800 3.610 parsed_2m3i 1
66 1 . . . . . 2.590 1.800 3.380 parsed_2m3i 1
67 1 . . . . . 2.380 1.800 2.960 parsed_2m3i 1
68 1 . . . . . 3.080 1.800 4.360 parsed_2m3i 1
69 1 . . . . . 3.105 1.800 4.410 parsed_2m3i 1
70 1 . . . . . 2.360 1.800 2.920 parsed_2m3i 1
71 1 . . . . . 3.025 1.800 4.250 parsed_2m3i 1
72 1 . . . . . 2.700 1.800 3.600 parsed_2m3i 1
73 1 . . . . . 2.090 1.800 2.380 parsed_2m3i 1
74 1 . . . . . 2.750 1.800 3.700 parsed_2m3i 1
75 1 . . . . . 2.710 1.800 3.620 parsed_2m3i 1
76 1 . . . . . 2.555 1.800 3.310 parsed_2m3i 1
77 1 . . . . . 2.520 1.800 3.240 parsed_2m3i 1
78 1 . . . . . 2.185 1.800 2.570 parsed_2m3i 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# H proton - H proton" 1 1 1 21 parsed_2m3i 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m3i
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2m3i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2m3i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2m3i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2m3i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2m3i 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 "# Dihedral angles" 1 1 1 17 parsed_2m3i 1
stop_
save_
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