Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
585679 | 2mwl RC | 25335 | cing | 2-parsed | STAR | entry | full | 130 |
data_2mwl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mwl
_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_2mwl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mwl
_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 2mwl "Master copy" parsed_2mwl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mwl
_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 2mwl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mwl 1
1 2mwl.mr . . DYANA/DIANA 2 sequence "Not applicable" "Not applicable" 0 parsed_2mwl 1
1 2mwl.mr . . DYANA/DIANA 3 distance NOE simple 104 parsed_2mwl 1
1 2mwl.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 26 parsed_2mwl 1
1 2mwl.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mwl 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_2mwl
_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 13-NOV-14 2MWL
*TITLE NMR STRUCTURE OF VG16KRKP, AN ANTIMICROBIAL PEPTIDE IN LPS
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ANTIMICROBIAL PEPTIDE;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES
*KEYWDS ANTIMICROBIAL PEPTIDE, ANTIENDOTOXIC MOLECULE, ANTIMICROBIAL PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR A.BHUNIA, A.DATTA
*REVDAT 1 24-DEC-14 2MWL 0
;
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mwl
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_2mwl 1
2 1 . . . parsed_2mwl 1
3 1 . . . parsed_2mwl 1
4 1 . . . parsed_2mwl 1
5 1 . . . parsed_2mwl 1
6 1 . . . parsed_2mwl 1
7 1 . . . parsed_2mwl 1
8 1 . . . parsed_2mwl 1
9 1 . . . parsed_2mwl 1
10 1 . . . parsed_2mwl 1
11 1 . . . parsed_2mwl 1
12 1 . . . parsed_2mwl 1
13 1 . . . parsed_2mwl 1
14 1 . . . parsed_2mwl 1
15 1 . . . parsed_2mwl 1
16 1 . . . parsed_2mwl 1
17 1 . . . parsed_2mwl 1
18 1 . . . parsed_2mwl 1
19 1 . . . parsed_2mwl 1
20 1 . . . parsed_2mwl 1
21 1 . . . parsed_2mwl 1
22 1 . . . parsed_2mwl 1
23 1 . . . parsed_2mwl 1
24 1 . . . parsed_2mwl 1
25 1 . . . parsed_2mwl 1
26 1 . . . parsed_2mwl 1
27 1 . . . parsed_2mwl 1
28 1 . . . parsed_2mwl 1
29 1 . . . parsed_2mwl 1
30 1 . . . parsed_2mwl 1
31 1 . . . parsed_2mwl 1
32 1 . . . parsed_2mwl 1
33 1 . . . parsed_2mwl 1
34 1 . . . parsed_2mwl 1
35 1 . . . parsed_2mwl 1
36 1 . . . parsed_2mwl 1
37 1 . . . parsed_2mwl 1
38 1 . . . parsed_2mwl 1
39 1 . . . parsed_2mwl 1
40 1 . . . parsed_2mwl 1
41 1 . . . parsed_2mwl 1
42 1 . . . parsed_2mwl 1
43 1 . . . parsed_2mwl 1
44 1 . . . parsed_2mwl 1
45 1 . . . parsed_2mwl 1
46 1 . . . parsed_2mwl 1
47 1 . . . parsed_2mwl 1
48 1 . . . parsed_2mwl 1
49 1 . . . parsed_2mwl 1
50 1 . . . parsed_2mwl 1
51 1 . . . parsed_2mwl 1
52 1 . . . parsed_2mwl 1
53 1 . . . parsed_2mwl 1
54 1 . . . parsed_2mwl 1
55 1 . . . parsed_2mwl 1
56 1 . . . parsed_2mwl 1
57 1 . . . parsed_2mwl 1
58 1 . . . parsed_2mwl 1
59 1 . . . parsed_2mwl 1
60 1 . . . parsed_2mwl 1
61 1 . . . parsed_2mwl 1
62 1 . . . parsed_2mwl 1
63 1 . . . parsed_2mwl 1
64 1 . . . parsed_2mwl 1
65 1 . . . parsed_2mwl 1
66 1 . . . parsed_2mwl 1
67 1 . . . parsed_2mwl 1
68 1 . . . parsed_2mwl 1
69 1 . . . parsed_2mwl 1
70 1 . . . parsed_2mwl 1
71 1 . . . parsed_2mwl 1
72 1 . . . parsed_2mwl 1
73 1 . . . parsed_2mwl 1
74 1 . . . parsed_2mwl 1
75 1 . . . parsed_2mwl 1
76 1 . . . parsed_2mwl 1
77 1 . . . parsed_2mwl 1
78 1 . . . parsed_2mwl 1
79 1 . . . parsed_2mwl 1
80 1 . . . parsed_2mwl 1
81 1 . . . parsed_2mwl 1
82 1 . . . parsed_2mwl 1
83 1 . . . parsed_2mwl 1
84 1 . . . parsed_2mwl 1
85 1 . . . parsed_2mwl 1
86 1 . . . parsed_2mwl 1
87 1 . . . parsed_2mwl 1
88 1 . . . parsed_2mwl 1
89 1 . . . parsed_2mwl 1
90 1 . . . parsed_2mwl 1
91 1 . . . parsed_2mwl 1
92 1 . . . parsed_2mwl 1
93 1 . . . parsed_2mwl 1
94 1 . . . parsed_2mwl 1
95 1 . . . parsed_2mwl 1
96 1 . . . parsed_2mwl 1
97 1 . . . parsed_2mwl 1
98 1 . . . parsed_2mwl 1
99 1 . . . parsed_2mwl 1
100 1 . . . parsed_2mwl 1
101 1 . . . parsed_2mwl 1
102 1 . . . parsed_2mwl 1
103 1 . . . parsed_2mwl 1
104 1 . . . parsed_2mwl 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 VAL HA parsed_2mwl 1
1 1 2 . . . . . . . . . 2 ALA H parsed_2mwl 1
2 1 1 . . . . . . . . . 1 VAL QB parsed_2mwl 1
2 1 2 . . . . . . . . . 2 ALA H parsed_2mwl 1
3 1 1 . . . . . . . . . 1 VAL QQG parsed_2mwl 1
3 1 2 . . . . . . . . . 2 ALA H parsed_2mwl 1
4 1 1 . . . . . . . . . 2 ALA QB parsed_2mwl 1
4 1 2 . . . . . . . . . 2 ALA H parsed_2mwl 1
5 1 1 . . . . . . . . . 2 ALA HA parsed_2mwl 1
5 1 2 . . . . . . . . . 3 ARG H parsed_2mwl 1
6 1 1 . . . . . . . . . 2 ALA QB parsed_2mwl 1
6 1 2 . . . . . . . . . 3 ARG H parsed_2mwl 1
7 1 1 . . . . . . . . . 3 ARG QB parsed_2mwl 1
7 1 2 . . . . . . . . . 3 ARG H parsed_2mwl 1
8 1 1 . . . . . . . . . 3 ARG QG parsed_2mwl 1
8 1 2 . . . . . . . . . 3 ARG H parsed_2mwl 1
9 1 1 . . . . . . . . . 3 ARG QD parsed_2mwl 1
9 1 2 . . . . . . . . . 3 ARG H parsed_2mwl 1
10 1 1 . . . . . . . . . 3 ARG HA parsed_2mwl 1
10 1 2 . . . . . . . . . 4 GLY H parsed_2mwl 1
11 1 1 . . . . . . . . . 3 ARG QB parsed_2mwl 1
11 1 2 . . . . . . . . . 4 GLY H parsed_2mwl 1
12 1 1 . . . . . . . . . 3 ARG QG parsed_2mwl 1
12 1 2 . . . . . . . . . 4 GLY H parsed_2mwl 1
13 1 1 . . . . . . . . . 3 ARG QD parsed_2mwl 1
13 1 2 . . . . . . . . . 4 GLY H parsed_2mwl 1
14 1 1 . . . . . . . . . 4 GLY QA parsed_2mwl 1
14 1 2 . . . . . . . . . 5 TRP H parsed_2mwl 1
15 1 1 . . . . . . . . . 5 TRP HB2 parsed_2mwl 1
15 1 2 . . . . . . . . . 5 TRP H parsed_2mwl 1
16 1 1 . . . . . . . . . 5 TRP HB3 parsed_2mwl 1
16 1 2 . . . . . . . . . 5 TRP H parsed_2mwl 1
17 1 1 . . . . . . . . . 5 TRP HA parsed_2mwl 1
17 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
18 1 1 . . . . . . . . . 5 TRP QB parsed_2mwl 1
18 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
19 1 1 . . . . . . . . . 6 LYS QB parsed_2mwl 1
19 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
20 1 1 . . . . . . . . . 6 LYS QD parsed_2mwl 1
20 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
21 1 1 . . . . . . . . . 6 LYS QG parsed_2mwl 1
21 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
22 1 1 . . . . . . . . . 6 LYS HA parsed_2mwl 1
22 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
23 1 1 . . . . . . . . . 6 LYS QB parsed_2mwl 1
23 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
24 1 1 . . . . . . . . . 6 LYS QG parsed_2mwl 1
24 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
25 1 1 . . . . . . . . . 6 LYS QD parsed_2mwl 1
25 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
26 1 1 . . . . . . . . . 7 ARG QB parsed_2mwl 1
26 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
27 1 1 . . . . . . . . . 7 ARG QG parsed_2mwl 1
27 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
28 1 1 . . . . . . . . . 7 ARG QD parsed_2mwl 1
28 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
29 1 1 . . . . . . . . . 7 ARG HA parsed_2mwl 1
29 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
30 1 1 . . . . . . . . . 7 ARG QB parsed_2mwl 1
30 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
31 1 1 . . . . . . . . . 7 ARG QG parsed_2mwl 1
31 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
32 1 1 . . . . . . . . . 7 ARG QD parsed_2mwl 1
32 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
33 1 1 . . . . . . . . . 8 LYS QB parsed_2mwl 1
33 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
34 1 1 . . . . . . . . . 8 LYS QD parsed_2mwl 1
34 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
35 1 1 . . . . . . . . . 8 LYS QG parsed_2mwl 1
35 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
36 1 1 . . . . . . . . . 8 LYS HA parsed_2mwl 1
36 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
37 1 1 . . . . . . . . . 8 LYS QB parsed_2mwl 1
37 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
38 1 1 . . . . . . . . . 8 LYS QG parsed_2mwl 1
38 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
39 1 1 . . . . . . . . . 8 LYS QD parsed_2mwl 1
39 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
40 1 1 . . . . . . . . . 9 CYS HB2 parsed_2mwl 1
40 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
41 1 1 . . . . . . . . . 9 CYS HB3 parsed_2mwl 1
41 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
42 1 1 . . . . . . . . . 10 PRO HB2 parsed_2mwl 1
42 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
43 1 1 . . . . . . . . . 10 PRO HB3 parsed_2mwl 1
43 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
44 1 1 . . . . . . . . . 10 PRO QG parsed_2mwl 1
44 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
45 1 1 . . . . . . . . . 11 LEU QB parsed_2mwl 1
45 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
46 1 1 . . . . . . . . . 11 LEU QQD parsed_2mwl 1
46 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
47 1 1 . . . . . . . . . 11 LEU HA parsed_2mwl 1
47 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
48 1 1 . . . . . . . . . 11 LEU QB parsed_2mwl 1
48 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
49 1 1 . . . . . . . . . 11 LEU QG parsed_2mwl 1
49 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
50 1 1 . . . . . . . . . 11 LEU QQD parsed_2mwl 1
50 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
51 1 1 . . . . . . . . . 12 PHE HA parsed_2mwl 1
51 1 2 . . . . . . . . . 12 PHE QD parsed_2mwl 1
52 1 1 . . . . . . . . . 12 PHE HB2 parsed_2mwl 1
52 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
53 1 1 . . . . . . . . . 12 PHE HB3 parsed_2mwl 1
53 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
54 1 1 . . . . . . . . . 12 PHE HB2 parsed_2mwl 1
54 1 2 . . . . . . . . . 12 PHE QD parsed_2mwl 1
55 1 1 . . . . . . . . . 12 PHE HB3 parsed_2mwl 1
55 1 2 . . . . . . . . . 12 PHE QD parsed_2mwl 1
56 1 1 . . . . . . . . . 12 PHE HB3 parsed_2mwl 1
56 1 2 . . . . . . . . . 12 PHE QE parsed_2mwl 1
57 1 1 . . . . . . . . . 12 PHE HB2 parsed_2mwl 1
57 1 2 . . . . . . . . . 12 PHE QE parsed_2mwl 1
58 1 1 . . . . . . . . . 12 PHE HA parsed_2mwl 1
58 1 2 . . . . . . . . . 13 GLY H parsed_2mwl 1
59 1 1 . . . . . . . . . 12 PHE HB2 parsed_2mwl 1
59 1 2 . . . . . . . . . 13 GLY H parsed_2mwl 1
60 1 1 . . . . . . . . . 12 PHE HB3 parsed_2mwl 1
60 1 2 . . . . . . . . . 13 GLY H parsed_2mwl 1
61 1 1 . . . . . . . . . 13 GLY HA2 parsed_2mwl 1
61 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
62 1 1 . . . . . . . . . 13 GLY HA3 parsed_2mwl 1
62 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
63 1 1 . . . . . . . . . 14 LYS QB parsed_2mwl 1
63 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
64 1 1 . . . . . . . . . 14 LYS QG parsed_2mwl 1
64 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
65 1 1 . . . . . . . . . 14 LYS QD parsed_2mwl 1
65 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
66 1 1 . . . . . . . . . 14 LYS HA parsed_2mwl 1
66 1 2 . . . . . . . . . 15 GLY H parsed_2mwl 1
67 1 1 . . . . . . . . . 14 LYS QB parsed_2mwl 1
67 1 2 . . . . . . . . . 15 GLY H parsed_2mwl 1
68 1 1 . . . . . . . . . 14 LYS QG parsed_2mwl 1
68 1 2 . . . . . . . . . 15 GLY H parsed_2mwl 1
69 1 1 . . . . . . . . . 14 LYS QD parsed_2mwl 1
69 1 2 . . . . . . . . . 15 GLY H parsed_2mwl 1
70 1 1 . . . . . . . . . 15 GLY QA parsed_2mwl 1
70 1 2 . . . . . . . . . 16 GLY H parsed_2mwl 1
71 1 1 . . . . . . . . . 10 PRO QG parsed_2mwl 1
71 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
72 1 1 . . . . . . . . . 10 PRO QG parsed_2mwl 1
72 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
73 1 1 . . . . . . . . . 2 ALA H parsed_2mwl 1
73 1 2 . . . . . . . . . 3 ARG H parsed_2mwl 1
74 1 1 . . . . . . . . . 3 ARG H parsed_2mwl 1
74 1 2 . . . . . . . . . 4 GLY H parsed_2mwl 1
75 1 1 . . . . . . . . . 4 GLY H parsed_2mwl 1
75 1 2 . . . . . . . . . 5 TRP H parsed_2mwl 1
76 1 1 . . . . . . . . . 5 TRP H parsed_2mwl 1
76 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
77 1 1 . . . . . . . . . 6 LYS H parsed_2mwl 1
77 1 2 . . . . . . . . . 7 ARG H parsed_2mwl 1
78 1 1 . . . . . . . . . 7 ARG H parsed_2mwl 1
78 1 2 . . . . . . . . . 8 LYS H parsed_2mwl 1
79 1 1 . . . . . . . . . 8 LYS H parsed_2mwl 1
79 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
80 1 1 . . . . . . . . . 11 LEU H parsed_2mwl 1
80 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
81 1 1 . . . . . . . . . 12 PHE H parsed_2mwl 1
81 1 2 . . . . . . . . . 13 GLY H parsed_2mwl 1
82 1 1 . . . . . . . . . 13 GLY H parsed_2mwl 1
82 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
83 1 1 . . . . . . . . . 14 LYS H parsed_2mwl 1
83 1 2 . . . . . . . . . 15 GLY H parsed_2mwl 1
84 1 1 . . . . . . . . . 15 GLY H parsed_2mwl 1
84 1 2 . . . . . . . . . 16 GLY H parsed_2mwl 1
85 1 1 . . . . . . . . . 12 PHE QB parsed_2mwl 1
85 1 2 . . . . . . . . . 5 TRP H parsed_2mwl 1
86 1 1 . . . . . . . . . 12 PHE QB parsed_2mwl 1
86 1 2 . . . . . . . . . 5 TRP HD1 parsed_2mwl 1
87 1 1 . . . . . . . . . 5 TRP QB parsed_2mwl 1
87 1 2 . . . . . . . . . 12 PHE QD parsed_2mwl 1
88 1 1 . . . . . . . . . 5 TRP HA parsed_2mwl 1
88 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
89 1 1 . . . . . . . . . 5 TRP HA parsed_2mwl 1
89 1 2 . . . . . . . . . 12 PHE QE parsed_2mwl 1
90 1 1 . . . . . . . . . 11 LEU QQD parsed_2mwl 1
90 1 2 . . . . . . . . . 5 TRP HH2 parsed_2mwl 1
91 1 1 . . . . . . . . . 11 LEU QQD parsed_2mwl 1
91 1 2 . . . . . . . . . 5 TRP HD1 parsed_2mwl 1
92 1 1 . . . . . . . . . 1 VAL QQG parsed_2mwl 1
92 1 2 . . . . . . . . . 5 TRP HD1 parsed_2mwl 1
93 1 1 . . . . . . . . . 1 VAL QQG parsed_2mwl 1
93 1 2 . . . . . . . . . 5 TRP HH2 parsed_2mwl 1
94 1 1 . . . . . . . . . 11 LEU QB parsed_2mwl 1
94 1 2 . . . . . . . . . 5 TRP HH2 parsed_2mwl 1
95 1 1 . . . . . . . . . 2 ALA QB parsed_2mwl 1
95 1 2 . . . . . . . . . 5 TRP HH2 parsed_2mwl 1
96 1 1 . . . . . . . . . 9 CYS HA parsed_2mwl 1
96 1 2 . . . . . . . . . 6 LYS H parsed_2mwl 1
97 1 1 . . . . . . . . . 2 ALA HB parsed_2mwl 1
97 1 2 . . . . . . . . . 5 TRP H parsed_2mwl 1
98 1 1 . . . . . . . . . 2 ALA HB parsed_2mwl 1
98 1 2 . . . . . . . . . 4 GLY H parsed_2mwl 1
99 1 1 . . . . . . . . . 10 PRO QG parsed_2mwl 1
99 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
100 1 1 . . . . . . . . . 5 TRP QB parsed_2mwl 1
100 1 2 . . . . . . . . . 12 PHE H parsed_2mwl 1
101 1 1 . . . . . . . . . 11 LEU QQD parsed_2mwl 1
101 1 2 . . . . . . . . . 14 LYS H parsed_2mwl 1
102 1 1 . . . . . . . . . 14 LYS HA parsed_2mwl 1
102 1 2 . . . . . . . . . 11 LEU H parsed_2mwl 1
103 1 1 . . . . . . . . . 7 ARG HA parsed_2mwl 1
103 1 2 . . . . . . . . . 9 CYS H parsed_2mwl 1
104 1 1 . . . . . . . . . 10 PRO QG parsed_2mwl 1
104 1 2 . . . . . . . . . 5 TRP HZ2 parsed_2mwl 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 . . . . . . . 3.5 parsed_2mwl 1
2 1 . . . . . . . 3.8 parsed_2mwl 1
3 1 . . . . . . . 4.0 parsed_2mwl 1
4 1 . . . . . . . 3.5 parsed_2mwl 1
5 1 . . . . . . . 3.5 parsed_2mwl 1
6 1 . . . . . . . 3.8 parsed_2mwl 1
7 1 . . . . . . . 3.5 parsed_2mwl 1
8 1 . . . . . . . 4.0 parsed_2mwl 1
9 1 . . . . . . . 4.0 parsed_2mwl 1
10 1 . . . . . . . 3.5 parsed_2mwl 1
11 1 . . . . . . . 3.5 parsed_2mwl 1
12 1 . . . . . . . 4.5 parsed_2mwl 1
13 1 . . . . . . . 4.5 parsed_2mwl 1
14 1 . . . . . . . 3.5 parsed_2mwl 1
15 1 . . . . . . . 3.8 parsed_2mwl 1
16 1 . . . . . . . 3.8 parsed_2mwl 1
17 1 . . . . . . . 3.5 parsed_2mwl 1
18 1 . . . . . . . 3.8 parsed_2mwl 1
19 1 . . . . . . . 3.8 parsed_2mwl 1
20 1 . . . . . . . 3.8 parsed_2mwl 1
21 1 . . . . . . . 4.0 parsed_2mwl 1
22 1 . . . . . . . 3.5 parsed_2mwl 1
23 1 . . . . . . . 3.8 parsed_2mwl 1
24 1 . . . . . . . 4.2 parsed_2mwl 1
25 1 . . . . . . . 4.2 parsed_2mwl 1
26 1 . . . . . . . 3.5 parsed_2mwl 1
27 1 . . . . . . . 4.0 parsed_2mwl 1
28 1 . . . . . . . 4.0 parsed_2mwl 1
29 1 . . . . . . . 3.5 parsed_2mwl 1
30 1 . . . . . . . 4.5 parsed_2mwl 1
31 1 . . . . . . . 4.5 parsed_2mwl 1
32 1 . . . . . . . 4.8 parsed_2mwl 1
33 1 . . . . . . . 3.8 parsed_2mwl 1
34 1 . . . . . . . 3.8 parsed_2mwl 1
35 1 . . . . . . . 3.8 parsed_2mwl 1
36 1 . . . . . . . 3.5 parsed_2mwl 1
37 1 . . . . . . . 4.0 parsed_2mwl 1
38 1 . . . . . . . 4.5 parsed_2mwl 1
39 1 . . . . . . . 4.5 parsed_2mwl 1
40 1 . . . . . . . 3.8 parsed_2mwl 1
41 1 . . . . . . . 3.8 parsed_2mwl 1
42 1 . . . . . . . 5.3 parsed_2mwl 1
43 1 . . . . . . . 5.3 parsed_2mwl 1
44 1 . . . . . . . 5.3 parsed_2mwl 1
45 1 . . . . . . . 3.5 parsed_2mwl 1
46 1 . . . . . . . 3.8 parsed_2mwl 1
47 1 . . . . . . . 3.5 parsed_2mwl 1
48 1 . . . . . . . 4.5 parsed_2mwl 1
49 1 . . . . . . . 4.8 parsed_2mwl 1
50 1 . . . . . . . 4.9 parsed_2mwl 1
51 1 . . . . . . . 4.0 parsed_2mwl 1
52 1 . . . . . . . 3.8 parsed_2mwl 1
53 1 . . . . . . . 3.8 parsed_2mwl 1
54 1 . . . . . . . 4.5 parsed_2mwl 1
55 1 . . . . . . . 4.5 parsed_2mwl 1
56 1 . . . . . . . 5.0 parsed_2mwl 1
57 1 . . . . . . . 5.0 parsed_2mwl 1
58 1 . . . . . . . 3.5 parsed_2mwl 1
59 1 . . . . . . . 5.0 parsed_2mwl 1
60 1 . . . . . . . 5.0 parsed_2mwl 1
61 1 . . . . . . . 3.5 parsed_2mwl 1
62 1 . . . . . . . 3.5 parsed_2mwl 1
63 1 . . . . . . . 3.8 parsed_2mwl 1
64 1 . . . . . . . 4.0 parsed_2mwl 1
65 1 . . . . . . . 4.0 parsed_2mwl 1
66 1 . . . . . . . 3.5 parsed_2mwl 1
67 1 . . . . . . . 4.0 parsed_2mwl 1
68 1 . . . . . . . 4.5 parsed_2mwl 1
69 1 . . . . . . . 4.8 parsed_2mwl 1
70 1 . . . . . . . 3.5 parsed_2mwl 1
71 1 . . . . . . . 4.0 parsed_2mwl 1
72 1 . . . . . . . 4.0 parsed_2mwl 1
73 1 . . . . . . . 3.5 parsed_2mwl 1
74 1 . . . . . . . 3.5 parsed_2mwl 1
75 1 . . . . . . . 3.5 parsed_2mwl 1
76 1 . . . . . . . 3.5 parsed_2mwl 1
77 1 . . . . . . . 3.5 parsed_2mwl 1
78 1 . . . . . . . 3.5 parsed_2mwl 1
79 1 . . . . . . . 3.5 parsed_2mwl 1
80 1 . . . . . . . 3.5 parsed_2mwl 1
81 1 . . . . . . . 3.5 parsed_2mwl 1
82 1 . . . . . . . 3.5 parsed_2mwl 1
83 1 . . . . . . . 3.5 parsed_2mwl 1
84 1 . . . . . . . 3.5 parsed_2mwl 1
85 1 . . . . . . . 5.0 parsed_2mwl 1
86 1 . . . . . . . 3.8 parsed_2mwl 1
87 1 . . . . . . . 3.5 parsed_2mwl 1
88 1 . . . . . . . 4.3 parsed_2mwl 1
89 1 . . . . . . . 4.3 parsed_2mwl 1
90 1 . . . . . . . 3.5 parsed_2mwl 1
91 1 . . . . . . . 3.5 parsed_2mwl 1
92 1 . . . . . . . 3.5 parsed_2mwl 1
93 1 . . . . . . . 3.5 parsed_2mwl 1
94 1 . . . . . . . 3.8 parsed_2mwl 1
95 1 . . . . . . . 3.5 parsed_2mwl 1
96 1 . . . . . . . 3.5 parsed_2mwl 1
97 1 . . . . . . . 4.2 parsed_2mwl 1
98 1 . . . . . . . 3.8 parsed_2mwl 1
99 1 . . . . . . . 4.5 parsed_2mwl 1
100 1 . . . . . . . 4.8 parsed_2mwl 1
101 1 . . . . . . . 4.8 parsed_2mwl 1
102 1 . . . . . . . 5.3 parsed_2mwl 1
103 1 . . . . . . . 4.0 parsed_2mwl 1
104 1 . . . . . . . 4.0 parsed_2mwl 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mwl
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 2 ALA . . . . . . . . . . . . . parsed_2mwl 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 2 ALA . . . . . . . . . . . . . parsed_2mwl 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 3 ARG . . . . . . . . . . . . . parsed_2mwl 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 3 ARG . . . . . . . . . . . . . parsed_2mwl 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 4 GLY . . . . . . . . . . . . . parsed_2mwl 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 4 GLY . . . . . . . . . . . . . parsed_2mwl 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 5 TRP . . . . . . . . . . . . . parsed_2mwl 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 5 TRP . . . . . . . . . . . . . parsed_2mwl 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 6 LYS . . . . . . . . . . . . . parsed_2mwl 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 6 LYS . . . . . . . . . . . . . parsed_2mwl 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 7 ARG . . . . . . . . . . . . . parsed_2mwl 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 7 ARG . . . . . . . . . . . . . parsed_2mwl 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 8 LYS . . . . . . . . . . . . . parsed_2mwl 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 8 LYS . . . . . . . . . . . . . parsed_2mwl 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 9 CYS . . . . . . . . . . . . . parsed_2mwl 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 9 CYS . . . . . . . . . . . . . parsed_2mwl 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 11 LEU . . . . . . . . . . . . . parsed_2mwl 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 11 LEU . . . . . . . . . . . . . parsed_2mwl 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 12 PHE . . . . . . . . . . . . . parsed_2mwl 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 12 PHE . . . . . . . . . . . . . parsed_2mwl 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 13 GLY . . . . . . . . . . . . . parsed_2mwl 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 13 GLY . . . . . . . . . . . . . parsed_2mwl 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 14 LYS . . . . . . . . . . . . . parsed_2mwl 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 14 LYS . . . . . . . . . . . . . parsed_2mwl 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 15 GLY . . . . . . . . . . . . . parsed_2mwl 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 15 GLY . . . . . . . . . . . . . parsed_2mwl 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 "Torsion angle constraints" 1 1 1 28 parsed_2mwl 1
2 "generated from HA secondary chemical shifts" 2 1 2 48 parsed_2mwl 1
stop_
save_