NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
553350 |
2lye   |
18722 | cing | 2-parsed | STAR | entry | full | 131 |
data_2lye_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lye
_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_2lye 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lye
_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 2lye "Master copy" parsed_2lye
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lye
_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 2lye.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lye 1
1 2lye.mr . . XPLOR/CNS 2 distance NOE simple 73 parsed_2lye 1
1 2lye.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_2lye 1
1 2lye.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 16 parsed_2lye 1
1 2lye.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lye 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_2lye
_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 ANTIMICROBIAL PROTEIN 18-SEP-12 2LYE
*TITLE HIGH RESOLUTION NMR SOLUTION STRUCTURE OF A SYMMETRICAL THETA-
*TITLE 2 DEFENSIN, BTD-2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: BTD-2;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS
*KEYWDS THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, ANTIMICROBIAL
*KEYWDS 2 PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR A.C.CONIBEAR, K.ROSENGREN, P.J.HARVEY, D.J.CRAIK
*REVDAT 1 28-NOV-12 2LYE 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lye
_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_2lye 1
2 1 . . . parsed_2lye 1
3 1 . . . parsed_2lye 1
4 1 . . . parsed_2lye 1
5 1 . . . parsed_2lye 1
6 1 . . . parsed_2lye 1
7 1 . . . parsed_2lye 1
8 1 . . . parsed_2lye 1
9 1 . . . parsed_2lye 1
10 1 . . . parsed_2lye 1
11 1 . . . parsed_2lye 1
12 1 . . . parsed_2lye 1
13 1 . . . parsed_2lye 1
14 1 . . . parsed_2lye 1
15 1 . . . parsed_2lye 1
16 1 . . . parsed_2lye 1
17 1 . . . parsed_2lye 1
18 1 . . . parsed_2lye 1
19 1 . . . parsed_2lye 1
20 1 . . . parsed_2lye 1
21 1 . . . parsed_2lye 1
22 1 . . . parsed_2lye 1
23 1 . . . parsed_2lye 1
24 1 . . . parsed_2lye 1
25 1 . . . parsed_2lye 1
26 1 . . . parsed_2lye 1
27 1 . . . parsed_2lye 1
28 1 . . . parsed_2lye 1
29 1 . . . parsed_2lye 1
30 1 . . . parsed_2lye 1
31 1 . . . parsed_2lye 1
32 1 . . . parsed_2lye 1
33 1 . . . parsed_2lye 1
34 1 . . . parsed_2lye 1
35 1 . . . parsed_2lye 1
36 1 . . . parsed_2lye 1
37 1 . . . parsed_2lye 1
38 1 . . . parsed_2lye 1
39 1 . . . parsed_2lye 1
40 1 . . . parsed_2lye 1
41 1 . . . parsed_2lye 1
42 1 . . . parsed_2lye 1
43 1 . . . parsed_2lye 1
44 1 . . . parsed_2lye 1
45 1 . . . parsed_2lye 1
46 1 . . . parsed_2lye 1
47 1 . . . parsed_2lye 1
48 1 . . . parsed_2lye 1
49 1 . . . parsed_2lye 1
50 1 . . . parsed_2lye 1
51 1 . . . parsed_2lye 1
52 1 . . . parsed_2lye 1
53 1 . . . parsed_2lye 1
54 1 . . . parsed_2lye 1
55 1 . . . parsed_2lye 1
56 1 . . . parsed_2lye 1
57 1 . . . parsed_2lye 1
58 1 . . . parsed_2lye 1
59 1 . . . parsed_2lye 1
60 1 . . . parsed_2lye 1
61 1 . . . parsed_2lye 1
62 1 . . . parsed_2lye 1
63 1 . . . parsed_2lye 1
64 1 . . . parsed_2lye 1
65 1 . . . parsed_2lye 1
66 1 . . . parsed_2lye 1
67 1 . . . parsed_2lye 1
68 1 . . . parsed_2lye 1
69 1 . . . parsed_2lye 1
70 1 . . . parsed_2lye 1
71 1 . . . parsed_2lye 1
72 1 . . . parsed_2lye 1
73 1 . . . parsed_2lye 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_2lye 1
1 1 2 . . . . . . . . . 5 . HB2 parsed_2lye 1
2 1 1 . . . . . . . . . 6 . HN parsed_2lye 1
2 1 2 . . . . . . . . . 6 . HB parsed_2lye 1
3 1 1 . . . . . . . . . 7 . HN parsed_2lye 1
3 1 2 . . . . . . . . . 7 . HB2 parsed_2lye 1
4 1 1 . . . . . . . . . 11 . HN parsed_2lye 1
4 1 2 . . . . . . . . . 11 . HB parsed_2lye 1
5 1 1 . . . . . . . . . 12 . HN parsed_2lye 1
5 1 2 . . . . . . . . . 12 . HB2 parsed_2lye 1
6 1 1 . . . . . . . . . 12 . HN parsed_2lye 1
6 1 2 . . . . . . . . . 12 . HB1 parsed_2lye 1
7 1 1 . . . . . . . . . 9 . HA parsed_2lye 1
7 1 2 . . . . . . . . . 10 . HN parsed_2lye 1
8 1 1 . . . . . . . . . 11 . HA parsed_2lye 1
8 1 2 . . . . . . . . . 12 . HN parsed_2lye 1
9 1 1 . . . . . . . . . 8 . HN parsed_2lye 1
9 1 2 . . . . . . . . . 11 . HB parsed_2lye 1
10 1 1 . . . . . . . . . 12 . HA parsed_2lye 1
10 1 2 . . . . . . . . . 13 . HN parsed_2lye 1
11 1 1 . . . . . . . . . 8 . HN parsed_2lye 1
11 1 2 . . . . . . . . . 12 . HA parsed_2lye 1
12 1 1 . . . . . . . . . 7 . HA parsed_2lye 1
12 1 2 . . . . . . . . . 12 . HA parsed_2lye 1
13 1 1 . . . . . . . . . 12 . HB2 parsed_2lye 1
13 1 2 . . . . . . . . . 13 . HN parsed_2lye 1
14 1 1 . . . . . . . . . 12 . HB1 parsed_2lye 1
14 1 2 . . . . . . . . . 13 . HN parsed_2lye 1
15 1 1 . . . . . . . . . 12 . HA parsed_2lye 1
15 1 2 . . . . . . . . . 12 . HB1 parsed_2lye 1
16 1 1 . . . . . . . . . 7 . HA parsed_2lye 1
16 1 2 . . . . . . . . . 13 . HN parsed_2lye 1
17 1 1 . . . . . . . . . 14 . HN parsed_2lye 1
17 1 2 . . . . . . . . . 13 . HA parsed_2lye 1
18 1 1 . . . . . . . . . 5 . HA parsed_2lye 1
18 1 2 . . . . . . . . . 6 . HN parsed_2lye 1
19 1 1 . . . . . . . . . 5 . HB2 parsed_2lye 1
19 1 2 . . . . . . . . . 6 . HN parsed_2lye 1
20 1 1 . . . . . . . . . 6 . HA parsed_2lye 1
20 1 2 . . . . . . . . . 7 . HN parsed_2lye 1
21 1 1 . . . . . . . . . 7 . HA parsed_2lye 1
21 1 2 . . . . . . . . . 8 . HN parsed_2lye 1
22 1 1 . . . . . . . . . 7 . HA parsed_2lye 1
22 1 2 . . . . . . . . . 7 . HB1 parsed_2lye 1
23 1 1 . . . . . . . . . 9 . HA parsed_2lye 1
23 1 2 . . . . . . . . . 9 . HB1 parsed_2lye 1
24 1 1 . . . . . . . . . 5 . HB1 parsed_2lye 1
24 1 2 . . . . . . . . . 6 . HN parsed_2lye 1
25 1 1 . . . . . . . . . 7 . HB1 parsed_2lye 1
25 1 2 . . . . . . . . . 8 . HN parsed_2lye 1
26 1 1 . . . . . . . . . 8 . HN parsed_2lye 1
26 1 2 . . . . . . . . . 11 . HN parsed_2lye 1
27 1 1 . . . . . . . . . 10 . HN parsed_2lye 1
27 1 2 . . . . . . . . . 11 . HN parsed_2lye 1
28 1 1 . . . . . . . . . 6 . HN parsed_2lye 1
28 1 2 . . . . . . . . . 6 . HG* parsed_2lye 1
29 1 1 . . . . . . . . . 11 . HN parsed_2lye 1
29 1 2 . . . . . . . . . 11 . HG* parsed_2lye 1
30 1 1 . . . . . . . . . 11 . HG* parsed_2lye 1
30 1 2 . . . . . . . . . 12 . HN parsed_2lye 1
31 1 1 . . . . . . . . . 9 . HD# parsed_2lye 1
31 1 2 . . . . . . . . . 11 . HG* parsed_2lye 1
32 1 1 . . . . . . . . . 6 . HG* parsed_2lye 1
32 1 2 . . . . . . . . . 13 . HN parsed_2lye 1
33 1 1 . . . . . . . . . 8 . HN parsed_2lye 1
33 1 2 . . . . . . . . . 8 . HG# parsed_2lye 1
34 1 1 . . . . . . . . . 8 . HG# parsed_2lye 1
34 1 2 . . . . . . . . . 9 . HB1 parsed_2lye 1
35 1 1 . . . . . . . . . 10 . HN parsed_2lye 1
35 1 2 . . . . . . . . . 10 . HA# parsed_2lye 1
36 1 1 . . . . . . . . . 13 . HN parsed_2lye 1
36 1 2 . . . . . . . . . 13 . HG# parsed_2lye 1
37 1 1 . . . . . . . . . 14 . HN parsed_2lye 1
37 1 2 . . . . . . . . . 14 . HB2 parsed_2lye 1
38 1 1 . . . . . . . . . 15 . HN parsed_2lye 1
38 1 2 . . . . . . . . . 15 . HB parsed_2lye 1
39 1 1 . . . . . . . . . 16 . HN parsed_2lye 1
39 1 2 . . . . . . . . . 16 . HB2 parsed_2lye 1
40 1 1 . . . . . . . . . 2 . HN parsed_2lye 1
40 1 2 . . . . . . . . . 2 . HB parsed_2lye 1
41 1 1 . . . . . . . . . 3 . HN parsed_2lye 1
41 1 2 . . . . . . . . . 3 . HB2 parsed_2lye 1
42 1 1 . . . . . . . . . 3 . HN parsed_2lye 1
42 1 2 . . . . . . . . . 3 . HB1 parsed_2lye 1
43 1 1 . . . . . . . . . 18 . HA parsed_2lye 1
43 1 2 . . . . . . . . . 1 . HN parsed_2lye 1
44 1 1 . . . . . . . . . 2 . HA parsed_2lye 1
44 1 2 . . . . . . . . . 3 . HN parsed_2lye 1
45 1 1 . . . . . . . . . 17 . HN parsed_2lye 1
45 1 2 . . . . . . . . . 2 . HB parsed_2lye 1
46 1 1 . . . . . . . . . 3 . HA parsed_2lye 1
46 1 2 . . . . . . . . . 4 . HN parsed_2lye 1
47 1 1 . . . . . . . . . 17 . HN parsed_2lye 1
47 1 2 . . . . . . . . . 3 . HA parsed_2lye 1
48 1 1 . . . . . . . . . 16 . HA parsed_2lye 1
48 1 2 . . . . . . . . . 3 . HA parsed_2lye 1
49 1 1 . . . . . . . . . 3 . HB2 parsed_2lye 1
49 1 2 . . . . . . . . . 4 . HN parsed_2lye 1
50 1 1 . . . . . . . . . 3 . HB1 parsed_2lye 1
50 1 2 . . . . . . . . . 4 . HN parsed_2lye 1
51 1 1 . . . . . . . . . 3 . HA parsed_2lye 1
51 1 2 . . . . . . . . . 3 . HB1 parsed_2lye 1
52 1 1 . . . . . . . . . 16 . HA parsed_2lye 1
52 1 2 . . . . . . . . . 4 . HN parsed_2lye 1
53 1 1 . . . . . . . . . 5 . HN parsed_2lye 1
53 1 2 . . . . . . . . . 4 . HA parsed_2lye 1
54 1 1 . . . . . . . . . 14 . HA parsed_2lye 1
54 1 2 . . . . . . . . . 15 . HN parsed_2lye 1
55 1 1 . . . . . . . . . 14 . HB2 parsed_2lye 1
55 1 2 . . . . . . . . . 15 . HN parsed_2lye 1
56 1 1 . . . . . . . . . 15 . HA parsed_2lye 1
56 1 2 . . . . . . . . . 16 . HN parsed_2lye 1
57 1 1 . . . . . . . . . 16 . HA parsed_2lye 1
57 1 2 . . . . . . . . . 17 . HN parsed_2lye 1
58 1 1 . . . . . . . . . 16 . HA parsed_2lye 1
58 1 2 . . . . . . . . . 16 . HB1 parsed_2lye 1
59 1 1 . . . . . . . . . 18 . HA parsed_2lye 1
59 1 2 . . . . . . . . . 18 . HB1 parsed_2lye 1
60 1 1 . . . . . . . . . 14 . HB1 parsed_2lye 1
60 1 2 . . . . . . . . . 15 . HN parsed_2lye 1
61 1 1 . . . . . . . . . 16 . HB1 parsed_2lye 1
61 1 2 . . . . . . . . . 17 . HN parsed_2lye 1
62 1 1 . . . . . . . . . 17 . HN parsed_2lye 1
62 1 2 . . . . . . . . . 2 . HN parsed_2lye 1
63 1 1 . . . . . . . . . 1 . HN parsed_2lye 1
63 1 2 . . . . . . . . . 2 . HN parsed_2lye 1
64 1 1 . . . . . . . . . 15 . HN parsed_2lye 1
64 1 2 . . . . . . . . . 15 . HG* parsed_2lye 1
65 1 1 . . . . . . . . . 2 . HN parsed_2lye 1
65 1 2 . . . . . . . . . 2 . HG* parsed_2lye 1
66 1 1 . . . . . . . . . 2 . HG* parsed_2lye 1
66 1 2 . . . . . . . . . 3 . HN parsed_2lye 1
67 1 1 . . . . . . . . . 17 . HD# parsed_2lye 1
67 1 2 . . . . . . . . . 2 . HG* parsed_2lye 1
68 1 1 . . . . . . . . . 15 . HG* parsed_2lye 1
68 1 2 . . . . . . . . . 4 . HN parsed_2lye 1
69 1 1 . . . . . . . . . 17 . HN parsed_2lye 1
69 1 2 . . . . . . . . . 17 . HG# parsed_2lye 1
70 1 1 . . . . . . . . . 17 . HG# parsed_2lye 1
70 1 2 . . . . . . . . . 18 . HB1 parsed_2lye 1
71 1 1 . . . . . . . . . 1 . HN parsed_2lye 1
71 1 2 . . . . . . . . . 1 . HA# parsed_2lye 1
72 1 1 . . . . . . . . . 4 . HN parsed_2lye 1
72 1 2 . . . . . . . . . 4 . HG# parsed_2lye 1
73 1 1 . . . . . . . . . 14 . HA parsed_2lye 1
73 1 2 . . . . . . . . . 5 . HA parsed_2lye 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 . . . . . 3.000 1.800 4.200 parsed_2lye 1
2 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1
3 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1
4 1 . . . . . 2.735 1.800 3.670 parsed_2lye 1
5 1 . . . . . 2.640 1.800 3.480 parsed_2lye 1
6 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1
7 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1
8 1 . . . . . 2.350 1.800 2.900 parsed_2lye 1
9 1 . . . . . 2.845 1.800 3.890 parsed_2lye 1
10 1 . . . . . 2.210 1.800 2.620 parsed_2lye 1
11 1 . . . . . 2.455 1.800 3.110 parsed_2lye 1
12 1 . . . . . 2.180 2.000 2.560 parsed_2lye 1
13 1 . . . . . 3.015 1.800 4.230 parsed_2lye 1
14 1 . . . . . 2.580 1.800 3.360 parsed_2lye 1
15 1 . . . . . 2.315 1.800 2.830 parsed_2lye 1
16 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1
17 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1
18 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1
19 1 . . . . . 2.825 1.800 3.850 parsed_2lye 1
20 1 . . . . . 2.520 1.800 3.240 parsed_2lye 1
21 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1
22 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1
23 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1
24 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1
25 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1
26 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1
27 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1
28 1 . . . . . 4.220 1.800 6.640 parsed_2lye 1
29 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1
30 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1
31 1 . . . . . 5.140 1.800 8.480 parsed_2lye 1
32 1 . . . . . 4.700 1.800 7.600 parsed_2lye 1
33 1 . . . . . 3.370 1.800 4.940 parsed_2lye 1
34 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1
35 1 . . . . . 2.145 1.800 2.490 parsed_2lye 1
36 1 . . . . . 3.570 1.800 5.340 parsed_2lye 1
37 1 . . . . . 3.000 1.800 4.200 parsed_2lye 1
38 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1
39 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1
40 1 . . . . . 2.735 1.800 3.670 parsed_2lye 1
41 1 . . . . . 2.640 1.800 3.480 parsed_2lye 1
42 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1
43 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1
44 1 . . . . . 2.350 1.800 2.900 parsed_2lye 1
45 1 . . . . . 2.845 1.800 3.890 parsed_2lye 1
46 1 . . . . . 2.210 1.800 2.620 parsed_2lye 1
47 1 . . . . . 2.455 1.800 3.110 parsed_2lye 1
48 1 . . . . . 2.180 2.000 2.560 parsed_2lye 1
49 1 . . . . . 3.015 1.800 4.230 parsed_2lye 1
50 1 . . . . . 2.580 1.800 3.360 parsed_2lye 1
51 1 . . . . . 2.315 1.800 2.830 parsed_2lye 1
52 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1
53 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1
54 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1
55 1 . . . . . 2.825 1.800 3.850 parsed_2lye 1
56 1 . . . . . 2.520 1.800 3.240 parsed_2lye 1
57 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1
58 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1
59 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1
60 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1
61 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1
62 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1
63 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1
64 1 . . . . . 4.220 1.800 6.640 parsed_2lye 1
65 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1
66 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1
67 1 . . . . . 5.140 1.800 8.480 parsed_2lye 1
68 1 . . . . . 4.700 1.800 7.600 parsed_2lye 1
69 1 . . . . . 3.370 1.800 4.940 parsed_2lye 1
70 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1
71 1 . . . . . 2.145 1.800 2.490 parsed_2lye 1
72 1 . . . . . 3.570 1.800 5.340 parsed_2lye 1
73 1 . . . . . 2.180 2.000 102.180 parsed_2lye 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 "H proton - H proton" 1 1 1 22 parsed_2lye 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lye
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.5 15.3 . . 1 . N . 1 . CA . 1 . C . 2 . N parsed_2lye 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.6 -67.6 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lye 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.4 161.6 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2lye 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -76.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lye 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 159.4 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lye 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_2lye 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -93.3 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lye 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.6 138.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lye 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -87.8 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lye 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 166.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lye 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . N . 5 . CA . 5 . CB . 5 . SG parsed_2lye 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -97.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lye 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 140.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lye 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -79.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lye 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.5 163.5 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lye 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_2lye 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.4 -96.6 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lye 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 175.4 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lye 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.6 63.2 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lye 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.0 52.8 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lye 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2lye 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.6 91.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lye 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.5 15.3 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lye 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.8 -51.8 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lye 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.1 166.1 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lye 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -76.5 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lye 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 159.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lye 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_2lye 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -93.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lye 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.6 138.8 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lye 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -87.8 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lye 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 166.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lye 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . SG parsed_2lye 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -97.8 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lye 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 140.4 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lye 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -79.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lye 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.5 163.5 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lye 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_2lye 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.4 -96.6 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lye 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 175.4 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lye 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.6 63.2 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lye 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_2lye 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 "Dihedral angles" 1 1 1 17 parsed_2lye 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lye
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2lye 2
2 1 . . . parsed_2lye 2
3 1 . . . parsed_2lye 2
4 1 . . . parsed_2lye 2
5 1 . . . parsed_2lye 2
6 1 . . . parsed_2lye 2
7 1 . . . parsed_2lye 2
8 1 . . . parsed_2lye 2
9 1 . . . parsed_2lye 2
10 1 . . . parsed_2lye 2
11 1 . . . parsed_2lye 2
12 1 . . . parsed_2lye 2
13 1 . . . parsed_2lye 2
14 1 . . . parsed_2lye 2
15 1 . . . parsed_2lye 2
16 1 . . . parsed_2lye 2
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_2lye 2
1 1 2 . . . . . . . . . 17 . O parsed_2lye 2
2 1 1 . . . . . . . . . 2 . N parsed_2lye 2
2 1 2 . . . . . . . . . 17 . O parsed_2lye 2
3 1 1 . . . . . . . . . 2 . O parsed_2lye 2
3 1 2 . . . . . . . . . 17 . HN parsed_2lye 2
4 1 1 . . . . . . . . . 2 . O parsed_2lye 2
4 1 2 . . . . . . . . . 17 . N parsed_2lye 2
5 1 1 . . . . . . . . . 4 . HN parsed_2lye 2
5 1 2 . . . . . . . . . 15 . O parsed_2lye 2
6 1 1 . . . . . . . . . 4 . N parsed_2lye 2
6 1 2 . . . . . . . . . 15 . O parsed_2lye 2
7 1 1 . . . . . . . . . 4 . O parsed_2lye 2
7 1 2 . . . . . . . . . 15 . HN parsed_2lye 2
8 1 1 . . . . . . . . . 4 . O parsed_2lye 2
8 1 2 . . . . . . . . . 15 . N parsed_2lye 2
9 1 1 . . . . . . . . . 6 . HN parsed_2lye 2
9 1 2 . . . . . . . . . 13 . O parsed_2lye 2
10 1 1 . . . . . . . . . 6 . N parsed_2lye 2
10 1 2 . . . . . . . . . 13 . O parsed_2lye 2
11 1 1 . . . . . . . . . 6 . O parsed_2lye 2
11 1 2 . . . . . . . . . 13 . HN parsed_2lye 2
12 1 1 . . . . . . . . . 6 . O parsed_2lye 2
12 1 2 . . . . . . . . . 13 . N parsed_2lye 2
13 1 1 . . . . . . . . . 8 . HN parsed_2lye 2
13 1 2 . . . . . . . . . 11 . O parsed_2lye 2
14 1 1 . . . . . . . . . 8 . N parsed_2lye 2
14 1 2 . . . . . . . . . 11 . O parsed_2lye 2
15 1 1 . . . . . . . . . 8 . O parsed_2lye 2
15 1 2 . . . . . . . . . 11 . HN parsed_2lye 2
16 1 1 . . . . . . . . . 8 . O parsed_2lye 2
16 1 2 . . . . . . . . . 11 . N parsed_2lye 2
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 . . . . . 1.900 1.800 2.000 parsed_2lye 2
2 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
3 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
4 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
5 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
6 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
7 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
8 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
9 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
10 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
11 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
12 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
13 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
14 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
15 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2
16 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2
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 Hbonds 1 1 1 8 parsed_2lye 2
stop_
save_
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