NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
617344 |
5nce   |
34113 | cing | 2-parsed | STAR | entry | full | 130 |
data_5nce_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5nce
_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_5nce 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5nce
_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 5nce "Master copy" parsed_5nce
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5nce
_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 5nce.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5nce 1
1 5nce.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 66 parsed_5nce 1
1 5nce.mr . . DYANA/DIANA 3 distance "general distance" simple 24 parsed_5nce 1
1 5nce.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_5nce 1
1 5nce.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5nce 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_5nce
_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 PLANT PROTEIN 03-MAR-17 5NCE
*TITLE STRUCTURE OF PSDEF1 DEFENSIN FROM PINUS SYLVESTRIS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DEFENSIN-1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UNP RESIDUES 34-83;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: PINUS SYLVESTRIS;
*SOURCE 3 ORGANISM_COMMON: SCOTS PINE;
*SOURCE 4 ORGANISM_TAXID: 3349;
*SOURCE 5 GENE: DEF1;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE 8 EXPRESSION_SYSTEM_VARIANT: ROSETTA-GAMI PLYSS B;
*SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-32 EK/LIC
*KEYWDS DEFENSIN, PLANT DEFENSIN, PLANT PROTEIN, SCOTTS PINE DEFENSIN,
*KEYWDS 2 CONFORMATIONAL DYNAMICS, ANTIBACTERIAL ACTIVITY, AMYLASE INHIBITION
*EXPDTA SOLUTION NMR
*NUMMDL 15
*AUTHOR B.I.KHAIRUTDINOV,E.A.ERMAKOVA,E.K.BESSOLITSYNA,Y.Y.TOPORKOVA,
*AUTHOR 2 N.B.TARASOVA,V.KOVALEVA,Y.F.ZUEV,I.V.NESMELOVA
*REVDAT 1 07-JUN-17 5NCE 0
;
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5nce
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_5nce 1
2 1 . . . parsed_5nce 1
3 1 . . . parsed_5nce 1
4 1 . . . parsed_5nce 1
5 1 . . . parsed_5nce 1
6 1 . . . parsed_5nce 1
7 1 . . . parsed_5nce 1
8 1 . . . parsed_5nce 1
9 1 . . . parsed_5nce 1
10 1 . . . parsed_5nce 1
11 1 . . . parsed_5nce 1
12 1 . . . parsed_5nce 1
13 1 . . . parsed_5nce 1
14 1 . . . parsed_5nce 1
15 1 . . . parsed_5nce 1
16 1 . . . parsed_5nce 1
17 1 . . . parsed_5nce 1
18 1 . . . parsed_5nce 1
19 1 . . . parsed_5nce 1
20 1 . . . parsed_5nce 1
21 1 . . . parsed_5nce 1
22 1 . . . parsed_5nce 1
23 1 . . . parsed_5nce 1
24 1 . . . parsed_5nce 1
25 1 . . . parsed_5nce 1
26 1 . . . parsed_5nce 1
27 1 . . . parsed_5nce 1
28 1 . . . parsed_5nce 1
29 1 . . . parsed_5nce 1
30 1 . . . parsed_5nce 1
31 1 . . . parsed_5nce 1
32 1 . . . parsed_5nce 1
33 1 . . . parsed_5nce 1
34 1 . . . parsed_5nce 1
35 1 . . . parsed_5nce 1
36 1 . . . parsed_5nce 1
37 1 . . . parsed_5nce 1
38 1 . . . parsed_5nce 1
39 1 . . . parsed_5nce 1
40 1 . . . parsed_5nce 1
41 1 . . . parsed_5nce 1
42 1 . . . parsed_5nce 1
43 1 . . . parsed_5nce 1
44 1 . . . parsed_5nce 1
45 1 . . . parsed_5nce 1
46 1 . . . parsed_5nce 1
47 1 . . . parsed_5nce 1
48 1 . . . parsed_5nce 1
49 1 . . . parsed_5nce 1
50 1 . . . parsed_5nce 1
51 1 . . . parsed_5nce 1
52 1 . . . parsed_5nce 1
53 1 . . . parsed_5nce 1
54 1 . . . parsed_5nce 1
55 1 . . . parsed_5nce 1
56 1 . . . parsed_5nce 1
57 1 . . . parsed_5nce 1
58 1 . . . parsed_5nce 1
59 1 . . . parsed_5nce 1
60 1 . . . parsed_5nce 1
61 1 . . . parsed_5nce 1
62 1 . . . parsed_5nce 1
63 1 . . . parsed_5nce 1
64 1 . . . parsed_5nce 1
65 1 . . . parsed_5nce 1
66 1 . . . parsed_5nce 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 . . . . . . . . . 18 THR H parsed_5nce 1
1 1 2 . . . . . . . . . 16 ASN OD1 parsed_5nce 1
2 1 1 . . . . . . . . . 21 LYS H parsed_5nce 1
2 1 2 . . . . . . . . . 17 ASN O parsed_5nce 1
3 1 1 . . . . . . . . . 21 LYS N parsed_5nce 1
3 1 2 . . . . . . . . . 17 ASN O parsed_5nce 1
4 1 1 . . . . . . . . . 23 VAL H parsed_5nce 1
4 1 2 . . . . . . . . . 19 ASN O parsed_5nce 1
5 1 1 . . . . . . . . . 23 VAL N parsed_5nce 1
5 1 2 . . . . . . . . . 19 ASN O parsed_5nce 1
6 1 1 . . . . . . . . . 28 GLY H parsed_5nce 1
6 1 2 . . . . . . . . . 24 CYSS O parsed_5nce 1
7 1 1 . . . . . . . . . 28 GLY N parsed_5nce 1
7 1 2 . . . . . . . . . 24 CYSS O parsed_5nce 1
8 1 1 . . . . . . . . . 34 CYSS H parsed_5nce 1
8 1 2 . . . . . . . . . 17 ASN OD1 parsed_5nce 1
9 1 1 . . . . . . . . . 35 ASP H parsed_5nce 1
9 1 2 . . . . . . . . . 42 LYS O parsed_5nce 1
10 1 1 . . . . . . . . . 35 ASP N parsed_5nce 1
10 1 2 . . . . . . . . . 42 LYS O parsed_5nce 1
11 1 1 . . . . . . . . . 36 PHE H parsed_5nce 1
11 1 2 . . . . . . . . . 35 ASP OD2 parsed_5nce 1
12 1 1 . . . . . . . . . 42 LYS H parsed_5nce 1
12 1 2 . . . . . . . . . 35 ASP O parsed_5nce 1
13 1 1 . . . . . . . . . 42 LYS N parsed_5nce 1
13 1 2 . . . . . . . . . 35 ASP O parsed_5nce 1
14 1 1 . . . . . . . . . 44 TYR H parsed_5nce 1
14 1 2 . . . . . . . . . 33 SER O parsed_5nce 1
15 1 1 . . . . . . . . . 44 TYR N parsed_5nce 1
15 1 2 . . . . . . . . . 33 SER O parsed_5nce 1
16 1 1 . . . . . . . . . 49 CYSS H parsed_5nce 1
16 1 2 . . . . . . . . . 1 ARG O parsed_5nce 1
17 1 1 . . . . . . . . . 49 CYSS N parsed_5nce 1
17 1 2 . . . . . . . . . 1 ARG O parsed_5nce 1
18 1 1 . . . . . . . . . 20 CYSS O parsed_5nce 1
18 1 2 . . . . . . . . . 24 CYSS H parsed_5nce 1
19 1 1 . . . . . . . . . 20 CYSS O parsed_5nce 1
19 1 2 . . . . . . . . . 24 CYSS N parsed_5nce 1
20 1 1 . . . . . . . . . 21 LYS O parsed_5nce 1
20 1 2 . . . . . . . . . 25 ARG H parsed_5nce 1
21 1 1 . . . . . . . . . 21 LYS O parsed_5nce 1
21 1 2 . . . . . . . . . 25 ARG N parsed_5nce 1
22 1 1 . . . . . . . . . 22 ASN O parsed_5nce 1
22 1 2 . . . . . . . . . 26 THR H parsed_5nce 1
23 1 1 . . . . . . . . . 22 ASN O parsed_5nce 1
23 1 2 . . . . . . . . . 26 THR N parsed_5nce 1
24 1 1 . . . . . . . . . 23 VAL O parsed_5nce 1
24 1 2 . . . . . . . . . 27 GLU N parsed_5nce 1
25 1 1 . . . . . . . . . 24 CYSS O parsed_5nce 1
25 1 2 . . . . . . . . . 29 PHE H parsed_5nce 1
26 1 1 . . . . . . . . . 24 CYSS O parsed_5nce 1
26 1 2 . . . . . . . . . 29 PHE N parsed_5nce 1
27 1 1 . . . . . . . . . 33 SER H parsed_5nce 1
27 1 2 . . . . . . . . . 44 TYR O parsed_5nce 1
28 1 1 . . . . . . . . . 33 SER N parsed_5nce 1
28 1 2 . . . . . . . . . 44 TYR O parsed_5nce 1
29 1 1 . . . . . . . . . 5 THR O parsed_5nce 1
29 1 2 . . . . . . . . . 45 CYSS H parsed_5nce 1
30 1 1 . . . . . . . . . 5 THR O parsed_5nce 1
30 1 2 . . . . . . . . . 45 CYSS N parsed_5nce 1
31 1 1 . . . . . . . . . 31 THR O parsed_5nce 1
31 1 2 . . . . . . . . . 46 TYR H parsed_5nce 1
32 1 1 . . . . . . . . . 31 THR O parsed_5nce 1
32 1 2 . . . . . . . . . 46 TYR N parsed_5nce 1
33 1 1 . . . . . . . . . 3 CYSS O parsed_5nce 1
33 1 2 . . . . . . . . . 47 LYS N parsed_5nce 1
34 1 1 . . . . . . . . . 18 THR H parsed_5nce 1
34 1 2 . . . . . . . . . 16 ASN OD1 parsed_5nce 1
35 1 1 . . . . . . . . . 21 LYS H parsed_5nce 1
35 1 2 . . . . . . . . . 17 ASN O parsed_5nce 1
36 1 1 . . . . . . . . . 21 LYS N parsed_5nce 1
36 1 2 . . . . . . . . . 17 ASN O parsed_5nce 1
37 1 1 . . . . . . . . . 23 VAL H parsed_5nce 1
37 1 2 . . . . . . . . . 19 ASN O parsed_5nce 1
38 1 1 . . . . . . . . . 23 VAL N parsed_5nce 1
38 1 2 . . . . . . . . . 19 ASN O parsed_5nce 1
39 1 1 . . . . . . . . . 28 GLY H parsed_5nce 1
39 1 2 . . . . . . . . . 24 CYSS O parsed_5nce 1
40 1 1 . . . . . . . . . 28 GLY N parsed_5nce 1
40 1 2 . . . . . . . . . 24 CYSS O parsed_5nce 1
41 1 1 . . . . . . . . . 34 CYSS H parsed_5nce 1
41 1 2 . . . . . . . . . 17 ASN OD1 parsed_5nce 1
42 1 1 . . . . . . . . . 35 ASP H parsed_5nce 1
42 1 2 . . . . . . . . . 42 LYS O parsed_5nce 1
43 1 1 . . . . . . . . . 35 ASP N parsed_5nce 1
43 1 2 . . . . . . . . . 42 LYS O parsed_5nce 1
44 1 1 . . . . . . . . . 36 PHE H parsed_5nce 1
44 1 2 . . . . . . . . . 35 ASP OD2 parsed_5nce 1
45 1 1 . . . . . . . . . 42 LYS H parsed_5nce 1
45 1 2 . . . . . . . . . 35 ASP O parsed_5nce 1
46 1 1 . . . . . . . . . 42 LYS N parsed_5nce 1
46 1 2 . . . . . . . . . 35 ASP O parsed_5nce 1
47 1 1 . . . . . . . . . 44 TYR H parsed_5nce 1
47 1 2 . . . . . . . . . 33 SER O parsed_5nce 1
48 1 1 . . . . . . . . . 44 TYR N parsed_5nce 1
48 1 2 . . . . . . . . . 33 SER O parsed_5nce 1
49 1 1 . . . . . . . . . 49 CYSS H parsed_5nce 1
49 1 2 . . . . . . . . . 1 ARG O parsed_5nce 1
50 1 1 . . . . . . . . . 49 CYSS N parsed_5nce 1
50 1 2 . . . . . . . . . 1 ARG O parsed_5nce 1
51 1 1 . . . . . . . . . 20 CYSS O parsed_5nce 1
51 1 2 . . . . . . . . . 24 CYSS H parsed_5nce 1
52 1 1 . . . . . . . . . 20 CYSS O parsed_5nce 1
52 1 2 . . . . . . . . . 24 CYSS N parsed_5nce 1
53 1 1 . . . . . . . . . 21 LYS O parsed_5nce 1
53 1 2 . . . . . . . . . 25 ARG H parsed_5nce 1
54 1 1 . . . . . . . . . 21 LYS O parsed_5nce 1
54 1 2 . . . . . . . . . 25 ARG N parsed_5nce 1
55 1 1 . . . . . . . . . 22 ASN O parsed_5nce 1
55 1 2 . . . . . . . . . 26 THR H parsed_5nce 1
56 1 1 . . . . . . . . . 22 ASN O parsed_5nce 1
56 1 2 . . . . . . . . . 26 THR N parsed_5nce 1
57 1 1 . . . . . . . . . 23 VAL O parsed_5nce 1
57 1 2 . . . . . . . . . 27 GLU N parsed_5nce 1
58 1 1 . . . . . . . . . 24 CYSS O parsed_5nce 1
58 1 2 . . . . . . . . . 29 PHE H parsed_5nce 1
59 1 1 . . . . . . . . . 24 CYSS O parsed_5nce 1
59 1 2 . . . . . . . . . 29 PHE N parsed_5nce 1
60 1 1 . . . . . . . . . 33 SER H parsed_5nce 1
60 1 2 . . . . . . . . . 44 TYR O parsed_5nce 1
61 1 1 . . . . . . . . . 33 SER N parsed_5nce 1
61 1 2 . . . . . . . . . 44 TYR O parsed_5nce 1
62 1 1 . . . . . . . . . 5 THR O parsed_5nce 1
62 1 2 . . . . . . . . . 45 CYSS H parsed_5nce 1
63 1 1 . . . . . . . . . 5 THR O parsed_5nce 1
63 1 2 . . . . . . . . . 45 CYSS N parsed_5nce 1
64 1 1 . . . . . . . . . 31 THR O parsed_5nce 1
64 1 2 . . . . . . . . . 46 TYR H parsed_5nce 1
65 1 1 . . . . . . . . . 31 THR O parsed_5nce 1
65 1 2 . . . . . . . . . 46 TYR N parsed_5nce 1
66 1 1 . . . . . . . . . 3 CYSS O parsed_5nce 1
66 1 2 . . . . . . . . . 47 LYS N parsed_5nce 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 . . . . . . . 1.80 parsed_5nce 1
2 1 . . . . . . . 1.80 parsed_5nce 1
3 1 . . . . . . . 2.70 parsed_5nce 1
4 1 . . . . . . . 1.80 parsed_5nce 1
5 1 . . . . . . . 2.70 parsed_5nce 1
6 1 . . . . . . . 1.80 parsed_5nce 1
7 1 . . . . . . . 2.70 parsed_5nce 1
8 1 . . . . . . . 1.80 parsed_5nce 1
9 1 . . . . . . . 1.80 parsed_5nce 1
10 1 . . . . . . . 2.70 parsed_5nce 1
11 1 . . . . . . . 1.80 parsed_5nce 1
12 1 . . . . . . . 1.80 parsed_5nce 1
13 1 . . . . . . . 2.70 parsed_5nce 1
14 1 . . . . . . . 1.80 parsed_5nce 1
15 1 . . . . . . . 2.70 parsed_5nce 1
16 1 . . . . . . . 1.80 parsed_5nce 1
17 1 . . . . . . . 2.70 parsed_5nce 1
18 1 . . . . . . . 1.80 parsed_5nce 1
19 1 . . . . . . . 2.70 parsed_5nce 1
20 1 . . . . . . . 1.80 parsed_5nce 1
21 1 . . . . . . . 2.70 parsed_5nce 1
22 1 . . . . . . . 1.80 parsed_5nce 1
23 1 . . . . . . . 2.70 parsed_5nce 1
24 1 . . . . . . . 2.70 parsed_5nce 1
25 1 . . . . . . . 1.80 parsed_5nce 1
26 1 . . . . . . . 2.70 parsed_5nce 1
27 1 . . . . . . . 1.80 parsed_5nce 1
28 1 . . . . . . . 2.70 parsed_5nce 1
29 1 . . . . . . . 1.80 parsed_5nce 1
30 1 . . . . . . . 2.70 parsed_5nce 1
31 1 . . . . . . . 1.80 parsed_5nce 1
32 1 . . . . . . . 2.70 parsed_5nce 1
33 1 . . . . . . . 2.70 parsed_5nce 1
34 1 . . . . . . . 3.00 parsed_5nce 1
35 1 . . . . . . . 2.00 parsed_5nce 1
36 1 . . . . . . . 3.00 parsed_5nce 1
37 1 . . . . . . . 2.00 parsed_5nce 1
38 1 . . . . . . . 3.00 parsed_5nce 1
39 1 . . . . . . . 2.00 parsed_5nce 1
40 1 . . . . . . . 3.00 parsed_5nce 1
41 1 . . . . . . . 3.00 parsed_5nce 1
42 1 . . . . . . . 2.00 parsed_5nce 1
43 1 . . . . . . . 3.00 parsed_5nce 1
44 1 . . . . . . . 3.00 parsed_5nce 1
45 1 . . . . . . . 2.00 parsed_5nce 1
46 1 . . . . . . . 3.00 parsed_5nce 1
47 1 . . . . . . . 2.00 parsed_5nce 1
48 1 . . . . . . . 3.00 parsed_5nce 1
49 1 . . . . . . . 2.00 parsed_5nce 1
50 1 . . . . . . . 3.00 parsed_5nce 1
51 1 . . . . . . . 2.00 parsed_5nce 1
52 1 . . . . . . . 3.00 parsed_5nce 1
53 1 . . . . . . . 2.00 parsed_5nce 1
54 1 . . . . . . . 3.00 parsed_5nce 1
55 1 . . . . . . . 2.00 parsed_5nce 1
56 1 . . . . . . . 3.00 parsed_5nce 1
57 1 . . . . . . . 3.00 parsed_5nce 1
58 1 . . . . . . . 2.00 parsed_5nce 1
59 1 . . . . . . . 3.00 parsed_5nce 1
60 1 . . . . . . . 2.00 parsed_5nce 1
61 1 . . . . . . . 3.00 parsed_5nce 1
62 1 . . . . . . . 2.00 parsed_5nce 1
63 1 . . . . . . . 3.00 parsed_5nce 1
64 1 . . . . . . . 2.00 parsed_5nce 1
65 1 . . . . . . . 3.00 parsed_5nce 1
66 1 . . . . . . . 3.00 parsed_5nce 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 file 1: hbonds.lol" 1 1 1 31 parsed_5nce 1
2 "3 CYSS H 47 LYS O 1.80" 2 1 2 37 parsed_5nce 1
3 "3 CYSS N 47 LYS O 2.70" 3 1 3 37 parsed_5nce 1
4 "5 THR H 45 CYSS O 1.80" 4 1 4 37 parsed_5nce 1
5 "5 THR N 45 CYSS O 2.70" 5 1 5 37 parsed_5nce 1
6 "7 SER H 43 CYSS O 1.80" 6 1 6 37 parsed_5nce 1
7 "7 SER N 43 CYSS O 2.70" 7 1 7 37 parsed_5nce 1
8 "9 LYS H 7 SER OG 1.80" 8 1 8 37 parsed_5nce 1
9 "10 PHE H 7 SER OG 1.80" 9 1 9 37 parsed_5nce 1
10 "20 CYSS H 16 ASN O 1.80" 13 1 13 37 parsed_5nce 1
11 "20 CYSS N 16 ASN O 2.70" 14 1 14 37 parsed_5nce 1
12 "22 ASN H 18 THR O 1.80" 17 1 17 37 parsed_5nce 1
13 "22 ASN N 18 THR O 2.70" 18 1 18 37 parsed_5nce 1
14 "24 CYSS H 20 CYSS O 1.80" 21 1 21 37 parsed_5nce 1
15 "input H-bond manualy for G40-C14" 29 1 29 34 parsed_5nce 1
16 "23 VAL O 27 GLU H 1.80" 43 1 43 38 parsed_5nce 1
17 "31 THR H 46 TYR O 1.80" 47 1 47 38 parsed_5nce 1
18 "31 THR N 46 TYR O 2.70" 48 1 48 38 parsed_5nce 1
19 "3 CYSS O 47 LYS H 1.80" 55 1 55 38 parsed_5nce 1
20 "Restraints file 2: hbonds.upl" 57 1 57 31 parsed_5nce 1
21 "3 CYSS H 47 LYS O 2.00" 58 1 58 37 parsed_5nce 1
22 "3 CYSS N 47 LYS O 3.00" 59 1 59 37 parsed_5nce 1
23 "5 THR H 45 CYSS O 2.00" 60 1 60 37 parsed_5nce 1
24 "5 THR N 45 CYSS O 3.00" 61 1 61 37 parsed_5nce 1
25 "7 SER H 43 CYSS O 2.00" 62 1 62 37 parsed_5nce 1
26 "7 SER N 43 CYSS O 3.00" 63 1 63 37 parsed_5nce 1
27 "9 LYS H 7 SER OG 2.00" 64 1 64 37 parsed_5nce 1
28 "10 PHE H 7 SER OG 2.00" 65 1 65 37 parsed_5nce 1
29 "20 CYSS H 16 ASN O 2.00" 69 1 69 37 parsed_5nce 1
30 "20 CYSS N 16 ASN O 3.00" 70 1 70 37 parsed_5nce 1
31 "22 ASN H 18 THR O 2.00" 73 1 73 37 parsed_5nce 1
32 "22 ASN N 18 THR O 3.00" 74 1 74 37 parsed_5nce 1
33 "24 CYSS H 20 CYSS O 2.60" 77 1 77 37 parsed_5nce 1
34 "input H-bond manualy for G40-C14" 85 1 85 34 parsed_5nce 1
35 "23 VAL O 27 GLU H 2.00" 99 1 99 38 parsed_5nce 1
36 "31 THR H 46 TYR O 2.00" 103 1 103 38 parsed_5nce 1
37 "31 THR N 46 TYR O 3.00" 104 1 104 38 parsed_5nce 1
38 "3 CYSS O 47 LYS H 2.00" 111 1 111 38 parsed_5nce 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5nce
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_5nce 2
2 1 . . . parsed_5nce 2
3 1 . . . parsed_5nce 2
4 1 . . . parsed_5nce 2
5 1 . . . parsed_5nce 2
6 1 . . . parsed_5nce 2
7 1 . . . parsed_5nce 2
8 1 . . . parsed_5nce 2
9 1 . . . parsed_5nce 2
10 1 . . . parsed_5nce 2
11 1 . . . parsed_5nce 2
12 1 . . . parsed_5nce 2
13 1 . . . parsed_5nce 2
14 1 . . . parsed_5nce 2
15 1 . . . parsed_5nce 2
16 1 . . . parsed_5nce 2
17 1 . . . parsed_5nce 2
18 1 . . . parsed_5nce 2
19 1 . . . parsed_5nce 2
20 1 . . . parsed_5nce 2
21 1 . . . parsed_5nce 2
22 1 . . . parsed_5nce 2
23 1 . . . parsed_5nce 2
24 1 . . . parsed_5nce 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 . . . . . . . . . 3 CYSS SG parsed_5nce 2
1 1 2 . . . . . . . . . 49 CYSS SG parsed_5nce 2
2 1 1 . . . . . . . . . 3 CYSS SG parsed_5nce 2
2 1 2 . . . . . . . . . 49 CYSS CB parsed_5nce 2
3 1 1 . . . . . . . . . 3 CYSS CB parsed_5nce 2
3 1 2 . . . . . . . . . 49 CYSS SG parsed_5nce 2
4 1 1 . . . . . . . . . 14 CYSS SG parsed_5nce 2
4 1 2 . . . . . . . . . 34 CYSS SG parsed_5nce 2
5 1 1 . . . . . . . . . 14 CYSS SG parsed_5nce 2
5 1 2 . . . . . . . . . 34 CYSS CB parsed_5nce 2
6 1 1 . . . . . . . . . 14 CYSS CB parsed_5nce 2
6 1 2 . . . . . . . . . 34 CYSS SG parsed_5nce 2
7 1 1 . . . . . . . . . 20 CYSS SG parsed_5nce 2
7 1 2 . . . . . . . . . 43 CYSS SG parsed_5nce 2
8 1 1 . . . . . . . . . 20 CYSS SG parsed_5nce 2
8 1 2 . . . . . . . . . 43 CYSS CB parsed_5nce 2
9 1 1 . . . . . . . . . 20 CYSS CB parsed_5nce 2
9 1 2 . . . . . . . . . 43 CYSS SG parsed_5nce 2
10 1 1 . . . . . . . . . 24 CYSS SG parsed_5nce 2
10 1 2 . . . . . . . . . 45 CYSS SG parsed_5nce 2
11 1 1 . . . . . . . . . 24 CYSS SG parsed_5nce 2
11 1 2 . . . . . . . . . 45 CYSS CB parsed_5nce 2
12 1 1 . . . . . . . . . 24 CYSS CB parsed_5nce 2
12 1 2 . . . . . . . . . 45 CYSS SG parsed_5nce 2
13 1 1 . . . . . . . . . 3 CYSS SG parsed_5nce 2
13 1 2 . . . . . . . . . 49 CYSS SG parsed_5nce 2
14 1 1 . . . . . . . . . 3 CYSS SG parsed_5nce 2
14 1 2 . . . . . . . . . 49 CYSS CB parsed_5nce 2
15 1 1 . . . . . . . . . 3 CYSS CB parsed_5nce 2
15 1 2 . . . . . . . . . 49 CYSS SG parsed_5nce 2
16 1 1 . . . . . . . . . 14 CYSS SG parsed_5nce 2
16 1 2 . . . . . . . . . 34 CYSS SG parsed_5nce 2
17 1 1 . . . . . . . . . 14 CYSS SG parsed_5nce 2
17 1 2 . . . . . . . . . 34 CYSS CB parsed_5nce 2
18 1 1 . . . . . . . . . 14 CYSS CB parsed_5nce 2
18 1 2 . . . . . . . . . 34 CYSS SG parsed_5nce 2
19 1 1 . . . . . . . . . 20 CYSS SG parsed_5nce 2
19 1 2 . . . . . . . . . 43 CYSS SG parsed_5nce 2
20 1 1 . . . . . . . . . 20 CYSS SG parsed_5nce 2
20 1 2 . . . . . . . . . 43 CYSS CB parsed_5nce 2
21 1 1 . . . . . . . . . 20 CYSS CB parsed_5nce 2
21 1 2 . . . . . . . . . 43 CYSS SG parsed_5nce 2
22 1 1 . . . . . . . . . 24 CYSS SG parsed_5nce 2
22 1 2 . . . . . . . . . 45 CYSS SG parsed_5nce 2
23 1 1 . . . . . . . . . 24 CYSS SG parsed_5nce 2
23 1 2 . . . . . . . . . 45 CYSS CB parsed_5nce 2
24 1 1 . . . . . . . . . 24 CYSS CB parsed_5nce 2
24 1 2 . . . . . . . . . 45 CYSS SG parsed_5nce 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 . . . . . . . 2.00 parsed_5nce 2
2 1 . . . . . . . 3.00 parsed_5nce 2
3 1 . . . . . . . 3.00 parsed_5nce 2
4 1 . . . . . . . 2.00 parsed_5nce 2
5 1 . . . . . . . 3.00 parsed_5nce 2
6 1 . . . . . . . 3.00 parsed_5nce 2
7 1 . . . . . . . 2.00 parsed_5nce 2
8 1 . . . . . . . 3.00 parsed_5nce 2
9 1 . . . . . . . 3.00 parsed_5nce 2
10 1 . . . . . . . 2.00 parsed_5nce 2
11 1 . . . . . . . 3.00 parsed_5nce 2
12 1 . . . . . . . 3.00 parsed_5nce 2
13 1 . . . . . . . 2.10 parsed_5nce 2
14 1 . . . . . . . 3.10 parsed_5nce 2
15 1 . . . . . . . 3.10 parsed_5nce 2
16 1 . . . . . . . 2.10 parsed_5nce 2
17 1 . . . . . . . 3.10 parsed_5nce 2
18 1 . . . . . . . 3.10 parsed_5nce 2
19 1 . . . . . . . 2.10 parsed_5nce 2
20 1 . . . . . . . 3.10 parsed_5nce 2
21 1 . . . . . . . 3.10 parsed_5nce 2
22 1 . . . . . . . 2.10 parsed_5nce 2
23 1 . . . . . . . 3.10 parsed_5nce 2
24 1 . . . . . . . 3.10 parsed_5nce 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 "Restraints file 3: ssbond.lol" 1 1 1 31 parsed_5nce 2
2 "Restraints file 4: ssbond.upl" 14 1 14 31 parsed_5nce 2
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5nce
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -152.3 -55.7 . . 2 MET . . . . . . . . . . . . . parsed_5nce 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.8 175.6 . . 2 MET . . . . . . . . . . . . . parsed_5nce 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -40.0 . . 3 CYSS . . . . . . . . . . . . . parsed_5nce 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 3 CYSS . . . . . . . . . . . . . parsed_5nce 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -187.4 -93.6 . . 4 LYS . . . . . . . . . . . . . parsed_5nce 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.5 194.7 . . 4 LYS . . . . . . . . . . . . . parsed_5nce 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.8 -104.5 . . 5 THR . . . . . . . . . . . . . parsed_5nce 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.7 180.3 . . 5 THR . . . . . . . . . . . . . parsed_5nce 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.1 -43.6 . . 17 ASN . . . . . . . . . . . . . parsed_5nce 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.4 -11.2 . . 17 ASN . . . . . . . . . . . . . parsed_5nce 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.9 -51.9 . . 18 THR . . . . . . . . . . . . . parsed_5nce 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -24.6 . . 18 THR . . . . . . . . . . . . . parsed_5nce 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.3 -50.5 . . 19 ASN . . . . . . . . . . . . . parsed_5nce 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.3 -18.8 . . 19 ASN . . . . . . . . . . . . . parsed_5nce 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.2 -52.3 . . 20 CYSS . . . . . . . . . . . . . parsed_5nce 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 -25.8 . . 20 CYSS . . . . . . . . . . . . . parsed_5nce 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.7 -50.7 . . 21 LYS . . . . . . . . . . . . . parsed_5nce 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 -34.8 . . 21 LYS . . . . . . . . . . . . . parsed_5nce 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -53.1 . . 22 ASN . . . . . . . . . . . . . parsed_5nce 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 -17.1 . . 22 ASN . . . . . . . . . . . . . parsed_5nce 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -43.0 . . 23 VAL . . . . . . . . . . . . . parsed_5nce 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.9 -17.9 . . 23 VAL . . . . . . . . . . . . . parsed_5nce 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.9 -53.6 . . 24 CYSS . . . . . . . . . . . . . parsed_5nce 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.5 -19.0 . . 24 CYSS . . . . . . . . . . . . . parsed_5nce 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -53.4 . . 25 ARG . . . . . . . . . . . . . parsed_5nce 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.6 -19.5 . . 25 ARG . . . . . . . . . . . . . parsed_5nce 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -51.2 . . 26 THR . . . . . . . . . . . . . parsed_5nce 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.1 -6.1 . . 26 THR . . . . . . . . . . . . . parsed_5nce 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -172.7 -43.6 . . 33 SER . . . . . . . . . . . . . parsed_5nce 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 171.0 . . 33 SER . . . . . . . . . . . . . parsed_5nce 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.3 -53.5 . . 34 CYSS . . . . . . . . . . . . . parsed_5nce 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 92.0 157.1 . . 34 CYSS . . . . . . . . . . . . . parsed_5nce 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.1 -56.7 . . 35 ASP . . . . . . . . . . . . . parsed_5nce 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.3 186.3 . . 35 ASP . . . . . . . . . . . . . parsed_5nce 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.6 -53.8 . . 45 CYSS . . . . . . . . . . . . . parsed_5nce 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.6 171.9 . . 45 CYSS . . . . . . . . . . . . . parsed_5nce 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -99.6 . . 46 TYR . . . . . . . . . . . . . parsed_5nce 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.9 163.9 . . 46 TYR . . . . . . . . . . . . . parsed_5nce 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -45.0 . . 47 LYS . . . . . . . . . . . . . parsed_5nce 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 47 LYS . . . . . . . . . . . . . parsed_5nce 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 "Restraints file 5: talos_mod.aco" 1 1 1 34 parsed_5nce 1
2 "7 SER PHI -85.4 -46.6" 10 1 10 33 parsed_5nce 1
3 "7 SER PSI 113.7 173.9" 11 1 11 33 parsed_5nce 1
4 "11 LYS PHI -195.8 -66.3" 12 1 12 33 parsed_5nce 1
5 "11 LYS PSI 97.7 188.9" 13 1 13 33 parsed_5nce 1
6 "13 TYR PHI -106.6 -40.0" 14 1 14 33 parsed_5nce 1
7 "13 TYR PSI 105.0 205.9" 15 1 15 33 parsed_5nce 1
8 "14 CYSS PHI -82.2 -42.4" 16 1 16 33 parsed_5nce 1
9 "14 CYSS PSI -57.6 1.5" 17 1 17 33 parsed_5nce 1
10 "16 ASN PHI -147.2 -44.6" 18 1 18 33 parsed_5nce 1
11 "16 ASN PSI 82.0 217.5" 19 1 19 33 parsed_5nce 1
12 "27 GLU PHI -128.1 -70.6" 40 1 40 33 parsed_5nce 1
13 "27 GLU PSI -12.5 14.0" 41 1 41 33 parsed_5nce 1
14 "29 PHE PHI -142.1 -37.8" 42 1 42 33 parsed_5nce 1
15 "29 PHE PSI 69.0 165.3" 43 1 43 33 parsed_5nce 1
16 "31 THR PHI -209.8 -83.6" 44 1 44 33 parsed_5nce 1
17 "31 THR PSI 78.9 200.3" 45 1 45 33 parsed_5nce 1
18 "36 PHE PHI -103.3 -63.6" 52 1 52 33 parsed_5nce 1
19 "36 PHE PSI 99.4 162.4" 53 1 53 33 parsed_5nce 1
20 "37 HIS PHI -108.3 -31.3" 54 1 54 33 parsed_5nce 1
21 "37 HIS PSI -60.7 -14.1" 55 1 55 33 parsed_5nce 1
22 "38 VAL PHI -114.6 -36.5" 56 1 56 33 parsed_5nce 1
23 "38 VAL PSI -63.6 -15.5" 57 1 57 33 parsed_5nce 1
24 "39 ALA PHI -128.4 -56.7" 58 1 58 33 parsed_5nce 1
25 "39 ALA PSI -62.8 40.0" 59 1 59 33 parsed_5nce 1
26 "43 CYSS PHI -137.1 -48.9" 60 1 60 33 parsed_5nce 1
27 "43 CYSS PSI 63.3 148.5" 61 1 61 33 parsed_5nce 1
stop_
save_
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