NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
45522 |
2e8d   |
10022 | cing | 2-parsed | STAR | entry | full | 247 |
data_2e8d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2e8d
_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_2e8d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2e8d
_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 2e8d "Master copy" parsed_2e8d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2e8d
_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 2e8d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2e8d 1
1 2e8d.mr . . XPLOR/CNS 2 distance "general distance" simple 111 parsed_2e8d 1
1 2e8d.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 136 parsed_2e8d 1
1 2e8d.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2e8d 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_2e8d
_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 PROTEIN FIBRIL, IMMUNE SYSTEM 19-JAN-07 2E8D
*TITLE 3D STRUCTURE OF AMYLOID PROTOFILAMENTS OF BETA2-
*TITLE 2 MICROGLOBULIN FRAGMENT PROBED BY SOLID-STATE NMR
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: BETA-2-MICROGLOBULIN;
*COMPND 3 CHAIN: A, B, C, D;
*COMPND 4 FRAGMENT: RESIDUES 40-61 (IN UNIPROT NUMBERING);
*COMPND 5 SYNONYM: K3 PEPTIDE OF BETA2-MICROGLOBULIN;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 GENE: B2M;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PAED4
*KEYWDS BETA2-MICROGLOBULIN
*EXPDTA NMR, 10 STRUCTURES
*AUTHOR T.FUJIWARA
*REVDAT 1 13-FEB-07 2E8D 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2e8d
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2e8d 1
2 1 . . . parsed_2e8d 1
3 1 . . . parsed_2e8d 1
4 1 . . . parsed_2e8d 1
5 1 . . . parsed_2e8d 1
6 1 . . . parsed_2e8d 1
7 1 . . . parsed_2e8d 1
8 1 . . . parsed_2e8d 1
9 1 . . . parsed_2e8d 1
10 1 . . . parsed_2e8d 1
11 1 . . . parsed_2e8d 1
12 1 . . . parsed_2e8d 1
13 1 . . . parsed_2e8d 1
14 1 . . . parsed_2e8d 1
15 1 . . . parsed_2e8d 1
16 1 . . . parsed_2e8d 1
17 1 . . . parsed_2e8d 1
18 1 . . . parsed_2e8d 1
19 1 . . . parsed_2e8d 1
20 1 . . . parsed_2e8d 1
21 1 . . . parsed_2e8d 1
22 1 . . . parsed_2e8d 1
23 1 . . . parsed_2e8d 1
24 1 . . . parsed_2e8d 1
25 1 . . . parsed_2e8d 1
26 1 . . . parsed_2e8d 1
27 1 . . . parsed_2e8d 1
28 1 . . . parsed_2e8d 1
29 1 . . . parsed_2e8d 1
30 1 . . . parsed_2e8d 1
31 1 . . . parsed_2e8d 1
32 1 . . . parsed_2e8d 1
33 1 . . . parsed_2e8d 1
34 1 . . . parsed_2e8d 1
35 1 . . . parsed_2e8d 1
36 1 . . . parsed_2e8d 1
37 1 . . . parsed_2e8d 1
38 1 . . . parsed_2e8d 1
39 1 . . . parsed_2e8d 1
40 1 . . . parsed_2e8d 1
41 1 . . . parsed_2e8d 1
42 1 . . . parsed_2e8d 1
43 1 . . . parsed_2e8d 1
44 1 . . . parsed_2e8d 1
45 1 . . . parsed_2e8d 1
46 1 . . . parsed_2e8d 1
47 1 . . . parsed_2e8d 1
48 1 . . . parsed_2e8d 1
49 1 . . . parsed_2e8d 1
50 1 . . . parsed_2e8d 1
51 1 . . . parsed_2e8d 1
52 1 . . . parsed_2e8d 1
53 1 . . . parsed_2e8d 1
54 1 . . . parsed_2e8d 1
55 1 . . . parsed_2e8d 1
56 1 . . . parsed_2e8d 1
57 1 . . . parsed_2e8d 1
58 1 . . . parsed_2e8d 1
59 1 . . . parsed_2e8d 1
60 1 . . . parsed_2e8d 1
61 1 . . . parsed_2e8d 1
62 1 . . . parsed_2e8d 1
63 1 . . . parsed_2e8d 1
64 1 . . . parsed_2e8d 1
65 1 . . . parsed_2e8d 1
66 1 . . . parsed_2e8d 1
67 1 . . . parsed_2e8d 1
68 1 . . . parsed_2e8d 1
69 1 . . . parsed_2e8d 1
70 1 . . . parsed_2e8d 1
71 1 . . . parsed_2e8d 1
72 1 . . . parsed_2e8d 1
73 1 . . . parsed_2e8d 1
74 1 . . . parsed_2e8d 1
75 1 . . . parsed_2e8d 1
76 1 . . . parsed_2e8d 1
77 1 . . . parsed_2e8d 1
78 1 . . . parsed_2e8d 1
79 1 . . . parsed_2e8d 1
80 1 . . . parsed_2e8d 1
81 1 . . . parsed_2e8d 1
82 1 . . . parsed_2e8d 1
83 1 . . . parsed_2e8d 1
84 1 . . . parsed_2e8d 1
85 1 . . . parsed_2e8d 1
86 1 . . . parsed_2e8d 1
87 1 . . . parsed_2e8d 1
88 1 . . . parsed_2e8d 1
89 1 . . . parsed_2e8d 1
90 1 . . . parsed_2e8d 1
91 1 . . . parsed_2e8d 1
92 1 . . . parsed_2e8d 1
93 1 . . . parsed_2e8d 1
94 1 . . . parsed_2e8d 1
95 1 . . . parsed_2e8d 1
96 1 . . . parsed_2e8d 1
97 1 . . . parsed_2e8d 1
98 1 . . . parsed_2e8d 1
99 1 . . . parsed_2e8d 1
100 1 . . . parsed_2e8d 1
101 1 . . . parsed_2e8d 1
102 1 . . . parsed_2e8d 1
103 1 . . . parsed_2e8d 1
104 1 . . . parsed_2e8d 1
105 1 . . . parsed_2e8d 1
106 1 . . . parsed_2e8d 1
107 1 . . . parsed_2e8d 1
108 1 . . . parsed_2e8d 1
109 1 . . . parsed_2e8d 1
110 1 . . . parsed_2e8d 1
111 1 . . . parsed_2e8d 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 . . . . . . . . . 3 . CA parsed_2e8d 1
1 1 2 . . . . . . . . . 4 . CD1# parsed_2e8d 1
2 1 1 . . . . . . . . . 3 . CE1# parsed_2e8d 1
2 1 2 . . . . . . . . . 5 . CA parsed_2e8d 1
3 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1
3 1 2 . . . . . . . . . 5 . CA parsed_2e8d 1
4 1 1 . . . . . . . . . 3 . CD2# parsed_2e8d 1
4 1 2 . . . . . . . . . 20 . CG parsed_2e8d 1
5 1 1 . . . . . . . . . 5 . CB parsed_2e8d 1
5 1 2 . . . . . . . . . 18 . CG1# parsed_2e8d 1
6 1 1 . . . . . . . . . 7 . CG parsed_2e8d 1
6 1 2 . . . . . . . . . 7 . C parsed_2e8d 1
7 1 1 . . . . . . . . . 7 . CD2# parsed_2e8d 1
7 1 2 . . . . . . . . . 8 . CA parsed_2e8d 1
8 1 1 . . . . . . . . . 11 . CE2# parsed_2e8d 1
8 1 2 . . . . . . . . . 16 . CG1# parsed_2e8d 1
9 1 1 . . . . . . . . . 17 . CA parsed_2e8d 1
9 1 2 . . . . . . . . . 18 . CG2# parsed_2e8d 1
10 1 1 . . . . . . . . . 18 . CA parsed_2e8d 1
10 1 2 . . . . . . . . . 17 . CG parsed_2e8d 1
11 1 1 . . . . . . . . . 18 . CG1# parsed_2e8d 1
11 1 2 . . . . . . . . . 19 . CA parsed_2e8d 1
12 1 1 . . . . . . . . . 19 . CA parsed_2e8d 1
12 1 2 . . . . . . . . . 20 . CD1# parsed_2e8d 1
13 1 1 . . . . . . . . . 25 . CA parsed_2e8d 1
13 1 2 . . . . . . . . . 26 . CD1# parsed_2e8d 1
14 1 1 . . . . . . . . . 25 . CE1# parsed_2e8d 1
14 1 2 . . . . . . . . . 27 . CA parsed_2e8d 1
15 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1
15 1 2 . . . . . . . . . 27 . CA parsed_2e8d 1
16 1 1 . . . . . . . . . 25 . CD2# parsed_2e8d 1
16 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1
17 1 1 . . . . . . . . . 27 . CB parsed_2e8d 1
17 1 2 . . . . . . . . . 40 . CG1# parsed_2e8d 1
18 1 1 . . . . . . . . . 29 . CG parsed_2e8d 1
18 1 2 . . . . . . . . . 29 . C parsed_2e8d 1
19 1 1 . . . . . . . . . 29 . CD2# parsed_2e8d 1
19 1 2 . . . . . . . . . 30 . CA parsed_2e8d 1
20 1 1 . . . . . . . . . 33 . CE2# parsed_2e8d 1
20 1 2 . . . . . . . . . 38 . CG1# parsed_2e8d 1
21 1 1 . . . . . . . . . 39 . CA parsed_2e8d 1
21 1 2 . . . . . . . . . 40 . CG2# parsed_2e8d 1
22 1 1 . . . . . . . . . 40 . CA parsed_2e8d 1
22 1 2 . . . . . . . . . 39 . CG parsed_2e8d 1
23 1 1 . . . . . . . . . 40 . CG1# parsed_2e8d 1
23 1 2 . . . . . . . . . 41 . CA parsed_2e8d 1
24 1 1 . . . . . . . . . 41 . CA parsed_2e8d 1
24 1 2 . . . . . . . . . 42 . CD1# parsed_2e8d 1
25 1 1 . . . . . . . . . 47 . CA parsed_2e8d 1
25 1 2 . . . . . . . . . 48 . CD1# parsed_2e8d 1
26 1 1 . . . . . . . . . 47 . CE1# parsed_2e8d 1
26 1 2 . . . . . . . . . 49 . CA parsed_2e8d 1
27 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1
27 1 2 . . . . . . . . . 49 . CA parsed_2e8d 1
28 1 1 . . . . . . . . . 47 . CD2# parsed_2e8d 1
28 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1
29 1 1 . . . . . . . . . 49 . CB parsed_2e8d 1
29 1 2 . . . . . . . . . 62 . CG1# parsed_2e8d 1
30 1 1 . . . . . . . . . 51 . CG parsed_2e8d 1
30 1 2 . . . . . . . . . 51 . C parsed_2e8d 1
31 1 1 . . . . . . . . . 51 . CD2# parsed_2e8d 1
31 1 2 . . . . . . . . . 52 . CA parsed_2e8d 1
32 1 1 . . . . . . . . . 55 . CE2# parsed_2e8d 1
32 1 2 . . . . . . . . . 60 . CG1# parsed_2e8d 1
33 1 1 . . . . . . . . . 61 . CA parsed_2e8d 1
33 1 2 . . . . . . . . . 62 . CG2# parsed_2e8d 1
34 1 1 . . . . . . . . . 62 . CA parsed_2e8d 1
34 1 2 . . . . . . . . . 61 . CG parsed_2e8d 1
35 1 1 . . . . . . . . . 62 . CG1# parsed_2e8d 1
35 1 2 . . . . . . . . . 63 . CA parsed_2e8d 1
36 1 1 . . . . . . . . . 63 . CA parsed_2e8d 1
36 1 2 . . . . . . . . . 64 . CD1# parsed_2e8d 1
37 1 1 . . . . . . . . . 69 . CA parsed_2e8d 1
37 1 2 . . . . . . . . . 70 . CD1# parsed_2e8d 1
38 1 1 . . . . . . . . . 69 . CE1# parsed_2e8d 1
38 1 2 . . . . . . . . . 71 . CA parsed_2e8d 1
39 1 1 . . . . . . . . . 69 . CZ parsed_2e8d 1
39 1 2 . . . . . . . . . 71 . CA parsed_2e8d 1
40 1 1 . . . . . . . . . 69 . CD2# parsed_2e8d 1
40 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1
41 1 1 . . . . . . . . . 71 . CB parsed_2e8d 1
41 1 2 . . . . . . . . . 84 . CG1# parsed_2e8d 1
42 1 1 . . . . . . . . . 73 . CG parsed_2e8d 1
42 1 2 . . . . . . . . . 71 . C parsed_2e8d 1
43 1 1 . . . . . . . . . 73 . CD2# parsed_2e8d 1
43 1 2 . . . . . . . . . 74 . CA parsed_2e8d 1
44 1 1 . . . . . . . . . 77 . CE2# parsed_2e8d 1
44 1 2 . . . . . . . . . 82 . CG1# parsed_2e8d 1
45 1 1 . . . . . . . . . 83 . CA parsed_2e8d 1
45 1 2 . . . . . . . . . 84 . CG2# parsed_2e8d 1
46 1 1 . . . . . . . . . 84 . CA parsed_2e8d 1
46 1 2 . . . . . . . . . 83 . CG parsed_2e8d 1
47 1 1 . . . . . . . . . 84 . CG1# parsed_2e8d 1
47 1 2 . . . . . . . . . 85 . CA parsed_2e8d 1
48 1 1 . . . . . . . . . 85 . CA parsed_2e8d 1
48 1 2 . . . . . . . . . 86 . CD1# parsed_2e8d 1
49 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1
49 1 2 . . . . . . . . . 42 . CD1# parsed_2e8d 1
50 1 1 . . . . . . . . . 3 . CZ parsed_2e8d 1
50 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1
51 1 1 . . . . . . . . . 3 . CE2# parsed_2e8d 1
51 1 2 . . . . . . . . . 42 . CG parsed_2e8d 1
52 1 1 . . . . . . . . . 3 . CE1# parsed_2e8d 1
52 1 2 . . . . . . . . . 40 . CG1# parsed_2e8d 1
53 1 1 . . . . . . . . . 7 . CE1# parsed_2e8d 1
53 1 2 . . . . . . . . . 33 . CE1# parsed_2e8d 1
54 1 1 . . . . . . . . . 7 . CZ parsed_2e8d 1
54 1 2 . . . . . . . . . 33 . CZ parsed_2e8d 1
55 1 1 . . . . . . . . . 11 . CE2# parsed_2e8d 1
55 1 2 . . . . . . . . . 36 . CB parsed_2e8d 1
56 1 1 . . . . . . . . . 3 . HN parsed_2e8d 1
56 1 2 . . . . . . . . . 24 . O parsed_2e8d 1
57 1 1 . . . . . . . . . 5 . HN parsed_2e8d 1
57 1 2 . . . . . . . . . 26 . O parsed_2e8d 1
58 1 1 . . . . . . . . . 7 . HN parsed_2e8d 1
58 1 2 . . . . . . . . . 28 . O parsed_2e8d 1
59 1 1 . . . . . . . . . 9 . HN parsed_2e8d 1
59 1 2 . . . . . . . . . 30 . O parsed_2e8d 1
60 1 1 . . . . . . . . . 26 . HN parsed_2e8d 1
60 1 2 . . . . . . . . . 3 . O parsed_2e8d 1
61 1 1 . . . . . . . . . 28 . HN parsed_2e8d 1
61 1 2 . . . . . . . . . 5 . O parsed_2e8d 1
62 1 1 . . . . . . . . . 30 . HN parsed_2e8d 1
62 1 2 . . . . . . . . . 7 . O parsed_2e8d 1
63 1 1 . . . . . . . . . 16 . HN parsed_2e8d 1
63 1 2 . . . . . . . . . 37 . O parsed_2e8d 1
64 1 1 . . . . . . . . . 18 . HN parsed_2e8d 1
64 1 2 . . . . . . . . . 39 . O parsed_2e8d 1
65 1 1 . . . . . . . . . 20 . HN parsed_2e8d 1
65 1 2 . . . . . . . . . 41 . O parsed_2e8d 1
66 1 1 . . . . . . . . . 37 . HN parsed_2e8d 1
66 1 2 . . . . . . . . . 14 . O parsed_2e8d 1
67 1 1 . . . . . . . . . 39 . HN parsed_2e8d 1
67 1 2 . . . . . . . . . 16 . O parsed_2e8d 1
68 1 1 . . . . . . . . . 41 . HN parsed_2e8d 1
68 1 2 . . . . . . . . . 18 . O parsed_2e8d 1
69 1 1 . . . . . . . . . 43 . HN parsed_2e8d 1
69 1 2 . . . . . . . . . 20 . O parsed_2e8d 1
70 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1
70 1 2 . . . . . . . . . 64 . CD1# parsed_2e8d 1
71 1 1 . . . . . . . . . 25 . CZ parsed_2e8d 1
71 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1
72 1 1 . . . . . . . . . 25 . CE2# parsed_2e8d 1
72 1 2 . . . . . . . . . 64 . CG parsed_2e8d 1
73 1 1 . . . . . . . . . 25 . CE1# parsed_2e8d 1
73 1 2 . . . . . . . . . 62 . CG1# parsed_2e8d 1
74 1 1 . . . . . . . . . 29 . CE1# parsed_2e8d 1
74 1 2 . . . . . . . . . 55 . CE1# parsed_2e8d 1
75 1 1 . . . . . . . . . 29 . CZ parsed_2e8d 1
75 1 2 . . . . . . . . . 55 . CZ parsed_2e8d 1
76 1 1 . . . . . . . . . 33 . CE2# parsed_2e8d 1
76 1 2 . . . . . . . . . 58 . CB parsed_2e8d 1
77 1 1 . . . . . . . . . 25 . HN parsed_2e8d 1
77 1 2 . . . . . . . . . 46 . O parsed_2e8d 1
78 1 1 . . . . . . . . . 27 . HN parsed_2e8d 1
78 1 2 . . . . . . . . . 48 . O parsed_2e8d 1
79 1 1 . . . . . . . . . 29 . HN parsed_2e8d 1
79 1 2 . . . . . . . . . 50 . O parsed_2e8d 1
80 1 1 . . . . . . . . . 31 . HN parsed_2e8d 1
80 1 2 . . . . . . . . . 52 . O parsed_2e8d 1
81 1 1 . . . . . . . . . 48 . HN parsed_2e8d 1
81 1 2 . . . . . . . . . 25 . O parsed_2e8d 1
82 1 1 . . . . . . . . . 50 . HN parsed_2e8d 1
82 1 2 . . . . . . . . . 27 . O parsed_2e8d 1
83 1 1 . . . . . . . . . 52 . HN parsed_2e8d 1
83 1 2 . . . . . . . . . 29 . O parsed_2e8d 1
84 1 1 . . . . . . . . . 38 . HN parsed_2e8d 1
84 1 2 . . . . . . . . . 59 . O parsed_2e8d 1
85 1 1 . . . . . . . . . 40 . HN parsed_2e8d 1
85 1 2 . . . . . . . . . 61 . O parsed_2e8d 1
86 1 1 . . . . . . . . . 42 . HN parsed_2e8d 1
86 1 2 . . . . . . . . . 63 . O parsed_2e8d 1
87 1 1 . . . . . . . . . 59 . HN parsed_2e8d 1
87 1 2 . . . . . . . . . 36 . O parsed_2e8d 1
88 1 1 . . . . . . . . . 61 . HN parsed_2e8d 1
88 1 2 . . . . . . . . . 38 . O parsed_2e8d 1
89 1 1 . . . . . . . . . 63 . HN parsed_2e8d 1
89 1 2 . . . . . . . . . 40 . O parsed_2e8d 1
90 1 1 . . . . . . . . . 65 . HN parsed_2e8d 1
90 1 2 . . . . . . . . . 42 . O parsed_2e8d 1
91 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1
91 1 2 . . . . . . . . . 86 . CD1# parsed_2e8d 1
92 1 1 . . . . . . . . . 47 . CZ parsed_2e8d 1
92 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1
93 1 1 . . . . . . . . . 47 . CE2# parsed_2e8d 1
93 1 2 . . . . . . . . . 86 . CG parsed_2e8d 1
94 1 1 . . . . . . . . . 47 . CE1# parsed_2e8d 1
94 1 2 . . . . . . . . . 84 . CG1# parsed_2e8d 1
95 1 1 . . . . . . . . . 51 . CE1# parsed_2e8d 1
95 1 2 . . . . . . . . . 77 . CE1# parsed_2e8d 1
96 1 1 . . . . . . . . . 51 . CZ parsed_2e8d 1
96 1 2 . . . . . . . . . 77 . CZ parsed_2e8d 1
97 1 1 . . . . . . . . . 55 . CE2# parsed_2e8d 1
97 1 2 . . . . . . . . . 80 . CB parsed_2e8d 1
98 1 1 . . . . . . . . . 47 . HN parsed_2e8d 1
98 1 2 . . . . . . . . . 68 . O parsed_2e8d 1
99 1 1 . . . . . . . . . 49 . HN parsed_2e8d 1
99 1 2 . . . . . . . . . 70 . O parsed_2e8d 1
100 1 1 . . . . . . . . . 51 . HN parsed_2e8d 1
100 1 2 . . . . . . . . . 72 . O parsed_2e8d 1
101 1 1 . . . . . . . . . 53 . HN parsed_2e8d 1
101 1 2 . . . . . . . . . 74 . O parsed_2e8d 1
102 1 1 . . . . . . . . . 70 . HN parsed_2e8d 1
102 1 2 . . . . . . . . . 47 . O parsed_2e8d 1
103 1 1 . . . . . . . . . 72 . HN parsed_2e8d 1
103 1 2 . . . . . . . . . 49 . O parsed_2e8d 1
104 1 1 . . . . . . . . . 74 . HN parsed_2e8d 1
104 1 2 . . . . . . . . . 51 . O parsed_2e8d 1
105 1 1 . . . . . . . . . 60 . HN parsed_2e8d 1
105 1 2 . . . . . . . . . 81 . O parsed_2e8d 1
106 1 1 . . . . . . . . . 62 . HN parsed_2e8d 1
106 1 2 . . . . . . . . . 83 . O parsed_2e8d 1
107 1 1 . . . . . . . . . 64 . HN parsed_2e8d 1
107 1 2 . . . . . . . . . 85 . O parsed_2e8d 1
108 1 1 . . . . . . . . . 81 . HN parsed_2e8d 1
108 1 2 . . . . . . . . . 58 . O parsed_2e8d 1
109 1 1 . . . . . . . . . 83 . HN parsed_2e8d 1
109 1 2 . . . . . . . . . 60 . O parsed_2e8d 1
110 1 1 . . . . . . . . . 85 . HN parsed_2e8d 1
110 1 2 . . . . . . . . . 62 . O parsed_2e8d 1
111 1 1 . . . . . . . . . 87 . HN parsed_2e8d 1
111 1 2 . . . . . . . . . 64 . O parsed_2e8d 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
2 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
3 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
4 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
5 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
6 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
7 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
8 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
9 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
10 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
11 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
12 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
13 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
14 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
15 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
16 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
17 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
18 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
19 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
20 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
21 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
22 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
23 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
24 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
25 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
26 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
27 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
28 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
29 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
30 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
31 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
32 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
33 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
34 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
35 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
36 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
37 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
38 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
39 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
40 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
41 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
42 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
43 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
44 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
45 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
46 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
47 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
48 1 . . . . . 4.5 2.5 6.5 parsed_2e8d 1
49 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1
50 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
51 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
52 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
53 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
54 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
55 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
56 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
57 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
58 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
59 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
60 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
61 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
62 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
63 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
64 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
65 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
66 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
67 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
68 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
69 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
70 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1
71 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
72 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
73 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
74 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
75 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
76 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
77 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
78 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
79 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
80 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
81 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
82 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
83 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
84 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
85 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
86 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
87 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
88 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
89 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
90 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
91 1 . . . . . 2.5 2.0 3.0 parsed_2e8d 1
92 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
93 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
94 1 . . . . . 4.0 2.5 5.5 parsed_2e8d 1
95 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
96 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
97 1 . . . . . 3.5 2.5 4.5 parsed_2e8d 1
98 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
99 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
100 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
101 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
102 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
103 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
104 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
105 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
106 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
107 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
108 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
109 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
110 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 1
111 1 . . . . . 1.8 1.3 2.3 parsed_2e8d 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
;
!K3 amyloid fibrils (20% TFE 10 mM HCl) for 4 mol(1)
!Distance restraints
Molecular A (1-22)
Ser20
Asn21
Phe22
;
2 1 8 7 parsed_2e8d 1
2 Phe22Ca-Leu23Cd 9 70 9 86 parsed_2e8d 1
3 Phe22Ce-Asn24Ca 10 70 10 86 parsed_2e8d 1
4 Phe22Cz-Asn24Ca 11 68 11 84 parsed_2e8d 1
5
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
12 71 14 7 parsed_2e8d 1
6
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
15 71 17 7 parsed_2e8d 1
7 Tyr26Cd-Tyr26Co 18 67 18 83 parsed_2e8d 1
8
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 9 and name CB ) ( resid 11 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
19 70 24 7 parsed_2e8d 1
9
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
25 74 31 7 parsed_2e8d 1
10
;
Glu36Ca-Val37Cg
Val37
;
32 72 33 7 parsed_2e8d 1
11 Val37Ca-Glu36Cg 34 70 34 86 parsed_2e8d 1
12
;
Val37Cg-Asp38Ca
Asp38
;
35 72 36 7 parsed_2e8d 1
13
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
Molecular B (23-44)
Ser20
Asn21
Phe22
;
37 72 45 7 parsed_2e8d 1
14 Phe22Ca-Leu23Cd 46 72 46 88 parsed_2e8d 1
15 Phe22Ce-Asn24Ca 47 72 47 88 parsed_2e8d 1
16 Phe22Cz-Asn24Ca 48 70 48 86 parsed_2e8d 1
17
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
49 72 51 7 parsed_2e8d 1
18
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
52 72 54 7 parsed_2e8d 1
19 Tyr26Cd-Tyr26Co 55 69 55 85 parsed_2e8d 1
20
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 31 and name CB ) ( resid 33 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
56 72 61 7 parsed_2e8d 1
21
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
62 74 68 7 parsed_2e8d 1
22
;
Glu36Ca-Val37Cg
Val37
;
69 72 70 7 parsed_2e8d 1
23 Val37Ca-Glu36Cg 71 70 71 86 parsed_2e8d 1
24
;
Val37Cg-Asp38Ca
Asp38
;
72 72 73 7 parsed_2e8d 1
25
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
Molecular C (45-66)
Ser20
Asn21
Phe22
;
74 72 82 7 parsed_2e8d 1
26 Phe22Ca-Leu23Cd 83 72 83 88 parsed_2e8d 1
27 Phe22Ce-Asn24Ca 84 72 84 88 parsed_2e8d 1
28 Phe22Cz-Asn24Ca 85 70 85 86 parsed_2e8d 1
29
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
86 72 88 7 parsed_2e8d 1
30
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
89 72 91 7 parsed_2e8d 1
31 Tyr26Ce-Val27Co 92 69 92 85 parsed_2e8d 1
32
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 53 and name CB ) ( resid 55 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
93 72 98 7 parsed_2e8d 1
33
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
99 74 105 7 parsed_2e8d 1
34
;
Glu36Ca-Val37Cg
Val37
;
106 72 107 7 parsed_2e8d 1
35 Val37Ca-Glu36Cg 108 70 108 86 parsed_2e8d 1
36
;
Val37Cg-Asp38Ca
Asp38
;
109 72 110 7 parsed_2e8d 1
37
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
Molecular D (67-88)
Ser20
Asn21
Phe22
;
111 72 119 7 parsed_2e8d 1
38 Phe22Ca-Leu23Cd 120 72 120 88 parsed_2e8d 1
39 Phe22Ca-Asn24Ca 121 72 121 88 parsed_2e8d 1
40 Phe22Cz-Asn24Ca 122 70 122 86 parsed_2e8d 1
41
;
Phe22Cd-Leu39Cr
Leu23
Asn24
;
123 72 125 7 parsed_2e8d 1
42
;
Asn24Cb-Val37Cr
Cys25
Tyr26
;
126 72 128 7 parsed_2e8d 1
43 Tyr26Ce-Tyr26Co 129 69 129 85 parsed_2e8d 1
44
;
Tyr26Ce-Val27Ca
Val27
Ser28
assign ( resid 75 and name CB ) ( resid 77 and name CA ) 3.5 1.0 1.0 !Ser28Cb-Phe30Ca
Gly29
Phe30
;
130 72 135 7 parsed_2e8d 1
45
;
Phe30Ce-Ile35Cg
His31
Pro32
Ser33
Asp34
Ile35
Glu36
;
136 74 142 7 parsed_2e8d 1
46
;
Glu36Ca-Val37Cg
Val37
;
143 72 144 7 parsed_2e8d 1
47 Val37Ca-Glu36Cg 145 70 145 86 parsed_2e8d 1
48
;
Val37Cg-Asp38Ca
Asp38
;
146 72 147 7 parsed_2e8d 1
49
;
Asp38Ca-Leu39Cd
Leu39
Leu40
Lys41
!Inter-molecular (Mol A-Mol B)
!Sidechain
;
148 72 155 12 parsed_2e8d 1
50 Phe22Cz-Leu39Cd 157 71 157 87 parsed_2e8d 1
51 Phe22Cz-Leu39Cg 158 69 158 85 parsed_2e8d 1
52 Phe22Ce-Leu39Cg 159 72 159 88 parsed_2e8d 1
53 Phe22Ce-Val37Cg 160 73 160 89 parsed_2e8d 1
54 Tyr26Ce-Phe30Ce 161 73 161 89 parsed_2e8d 1
55 Tyr26Cz-Phe30Cz 162 69 162 85 parsed_2e8d 1
56
;
Phe30Ce-Ser33Cb
!Hydrogen Bond
;
163 72 165 16 parsed_2e8d 1
57 Phe22HN-Asn21CO 167 68 167 84 parsed_2e8d 1
58 Asn24HN-Leu23CO 168 68 168 84 parsed_2e8d 1
59 Tyr26HN-Cys25CO 169 68 169 84 parsed_2e8d 1
60 Ser28HN-Val27CO 170 68 170 84 parsed_2e8d 1
61 Phe22CO-Leu23NH 171 68 171 84 parsed_2e8d 1
62 Asn24CO-Cys25NH 172 68 172 84 parsed_2e8d 1
63 Tyr26CO-Val27NH 173 68 173 84 parsed_2e8d 1
64 Ile35HN-Asp34CO 175 69 175 85 parsed_2e8d 1
65 Val37HN-Glu36CO 176 69 176 85 parsed_2e8d 1
66 Leu39HN-Asp38CO 177 69 177 85 parsed_2e8d 1
67 Ser33CO-Asn34NH 178 69 178 85 parsed_2e8d 1
68 Ile35CO-Glu36NH 179 69 179 85 parsed_2e8d 1
69 Val37CO-Asn38NH 180 69 180 85 parsed_2e8d 1
70
;
Leu39CO-Leu40NH
!Inter-molecular (Mol B-Mol C)
!Sidechain
;
181 69 185 12 parsed_2e8d 1
71 Phe22Cz-Leu39Cd 187 72 187 88 parsed_2e8d 1
72 Phe22Cz-Leu39Cg 188 70 188 86 parsed_2e8d 1
73 Phe22Ce-Leu39Cg 189 73 189 89 parsed_2e8d 1
74 Phe22Ce-Val37Cg 190 74 190 90 parsed_2e8d 1
75 Tyr26Ce-Phe30Ce 191 74 191 90 parsed_2e8d 1
76 Tyr26Cz-Phe30Cz 192 70 192 86 parsed_2e8d 1
77
;
Phe30Ce-Ser33Cb
!Hydrogen Bond
;
193 72 195 16 parsed_2e8d 1
78 Phe22HN-Asn21CO 197 69 197 85 parsed_2e8d 1
79 Asn24HN-Leu23CO 198 69 198 85 parsed_2e8d 1
80 Tyr26HN-Cys25CO 199 69 199 85 parsed_2e8d 1
81 Ser28HN-Val27CO 200 69 200 85 parsed_2e8d 1
82 Phe22CO-Leu23NH 201 69 201 85 parsed_2e8d 1
83 Asn24CO-Cys25NH 202 69 202 85 parsed_2e8d 1
84 Tyr26CO-Val27NH 203 69 203 85 parsed_2e8d 1
85 Ile35HN-Asp34CO 205 69 205 85 parsed_2e8d 1
86 Val37HN-Glu36CO 206 69 206 85 parsed_2e8d 1
87 Leu39HN-Asp38CO 207 69 207 85 parsed_2e8d 1
88 Ser33CO-Asn34NH 208 69 208 85 parsed_2e8d 1
89 Ile35CO-Glu36NH 209 69 209 85 parsed_2e8d 1
90 Val37CO-Asn38NH 210 69 210 85 parsed_2e8d 1
91
;
Leu39CO-Leu40NH
!Inter-molecular (Mol C-Mol D)
!Sidechain
;
211 69 215 12 parsed_2e8d 1
92 Phe22Cz-Leu39Cd 217 72 217 88 parsed_2e8d 1
93 Phe22Cz-Leu39Cg 218 70 218 86 parsed_2e8d 1
94 Phe22Ce-Leu39Cg 219 73 219 89 parsed_2e8d 1
95 Phe22Ce-Val37Cg 220 74 220 90 parsed_2e8d 1
96 Tyr26Ce-Phe30Ce 221 74 221 90 parsed_2e8d 1
97 Tyr26Cz-Phe30Cz 222 70 222 86 parsed_2e8d 1
98
;
Phe30Ce-Ser33Cb
!Hydrogen Bond
;
223 72 226 16 parsed_2e8d 1
99 Phe22HN-Asn21CO 228 69 228 85 parsed_2e8d 1
100 Asn24HN-Leu23CO 229 69 229 85 parsed_2e8d 1
101 Tyr26HN-Cys25CO 230 69 230 85 parsed_2e8d 1
102 Ser28HN-Val27CO 231 69 231 85 parsed_2e8d 1
103 Phe22CO-Leu23NH 232 69 232 85 parsed_2e8d 1
104 Asn24CO-Cys25NH 233 69 233 85 parsed_2e8d 1
105 Tyr26CO-Val27NH 234 69 234 85 parsed_2e8d 1
106 Ile35HN-Asp34CO 236 69 236 85 parsed_2e8d 1
107 Val37HN-Glu36CO 237 69 237 85 parsed_2e8d 1
108 Leu39HN-Asp38CO 238 69 238 85 parsed_2e8d 1
109 Ser33CO-Asn34NH 239 69 239 85 parsed_2e8d 1
110 Ile35CO-Glu36NH 240 69 240 85 parsed_2e8d 1
111 Val37CO-Asn38NH 241 69 241 85 parsed_2e8d 1
112 Leu39CO-Leu40NH 242 69 242 85 parsed_2e8d 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2e8d
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -118.000 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2e8d 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -114.000 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2e8d 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.000 -103.000 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2e8d 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.000 -97.000 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2e8d 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.000 -90.000 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2e8d 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.000 -106.000 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2e8d 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.000 -113.000 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2e8d 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.000 -107.000 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2e8d 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -85.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2e8d 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -80.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2e8d 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -84.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2e8d 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -113.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2e8d 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -91.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2e8d 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -102.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2e8d 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -88.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2e8d 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -101.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2e8d 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -99.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2e8d 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -118.000 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2e8d 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -114.000 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2e8d 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.000 -103.000 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2e8d 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.000 -97.000 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2e8d 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.000 -90.000 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2e8d 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.000 -106.000 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2e8d 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.000 -113.000 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2e8d 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.000 -107.000 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2e8d 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -85.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2e8d 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -80.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2e8d 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -84.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2e8d 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -113.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2e8d 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -91.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2e8d 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -102.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2e8d 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -88.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2e8d 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -101.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2e8d 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -99.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2e8d 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -118.000 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2e8d 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -114.000 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2e8d 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.000 -103.000 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2e8d 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.000 -97.000 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_2e8d 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.000 -90.000 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_2e8d 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.000 -106.000 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_2e8d 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.000 -113.000 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_2e8d 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.000 -107.000 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_2e8d 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -85.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_2e8d 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -80.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_2e8d 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -84.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_2e8d 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -113.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_2e8d 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -91.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_2e8d 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -102.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_2e8d 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -88.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_2e8d 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -101.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_2e8d 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -99.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_2e8d 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -118.000 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_2e8d 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.000 -114.000 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_2e8d 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.000 -103.000 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_2e8d 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.000 -97.000 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_2e8d 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.000 -90.000 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_2e8d 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.000 -106.000 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_2e8d 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.000 -113.000 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_2e8d 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.000 -107.000 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_2e8d 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -85.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_2e8d 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -80.0 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_2e8d 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -84.0 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_2e8d 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -113.0 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_2e8d 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -91.0 . . 82 . c . 83 . n . 83 . ca . 83 . c parsed_2e8d 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -102.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_2e8d 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -88.0 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_2e8d 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -101.0 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_2e8d 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -99.0 . . 86 . c . 87 . n . 88 . ca . 87 . c parsed_2e8d 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 161.0 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_2e8d 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 154.0 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_2e8d 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 135.0 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_2e8d 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 137.0 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_2e8d 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 132.0 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_2e8d 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 136.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2e8d 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 145.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2e8d 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 162.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2e8d 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2e8d 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2e8d 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 130.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2e8d 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 148.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2e8d 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 138.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2e8d 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 140.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2e8d 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 140.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2e8d 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 150.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2e8d 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 165.0 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2e8d 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 161.0 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2e8d 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 154.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2e8d 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 135.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2e8d 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 137.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2e8d 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 132.0 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2e8d 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 136.0 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2e8d 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 145.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2e8d 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 162.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2e8d 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2e8d 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2e8d 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 130.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2e8d 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 148.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2e8d 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 138.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2e8d 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 140.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2e8d 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 140.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2e8d 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 150.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2e8d 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 165.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2e8d 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 161.0 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2e8d 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 154.0 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2e8d 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 135.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2e8d 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 137.0 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_2e8d 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 132.0 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_2e8d 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 136.0 . . 51 . n . 51 . ca . 51 . c . 52 . n parsed_2e8d 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 145.0 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_2e8d 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 162.0 . . 53 . n . 53 . ca . 53 . c . 54 . n parsed_2e8d 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_2e8d 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_2e8d 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 130.0 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_2e8d 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 148.0 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_2e8d 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 138.0 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_2e8d 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 140.0 . . 62 . n . 62 . ca . 62 . c . 63 . n parsed_2e8d 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 140.0 . . 63 . n . 63 . ca . 63 . c . 64 . n parsed_2e8d 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 150.0 . . 64 . n . 64 . ca . 64 . c . 65 . n parsed_2e8d 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 165.0 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_2e8d 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 161.0 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_2e8d 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.0 154.0 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_2e8d 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.0 135.0 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_2e8d 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 137.0 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_2e8d 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.0 132.0 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_2e8d 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 136.0 . . 73 . n . 73 . ca . 73 . c . 74 . n parsed_2e8d 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.0 145.0 . . 74 . n . 74 . ca . 74 . c . 75 . n parsed_2e8d 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 162.0 . . 75 . n . 75 . ca . 75 . c . 76 . n parsed_2e8d 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 77 . n . 77 . ca . 77 . c . 78 . n parsed_2e8d 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.0 139.0 . . 80 . n . 80 . ca . 80 . c . 81 . n parsed_2e8d 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.0 130.0 . . 81 . n . 81 . ca . 81 . c . 82 . n parsed_2e8d 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 148.0 . . 82 . n . 82 . ca . 82 . c . 83 . n parsed_2e8d 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 138.0 . . 83 . n . 83 . ca . 83 . c . 84 . n parsed_2e8d 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 140.0 . . 84 . n . 84 . ca . 84 . c . 85 . n parsed_2e8d 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 140.0 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_2e8d 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 150.0 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_2e8d 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 165.0 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_2e8d 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
;
! PHI restraints
!Molecular A (1-22)
! N21
;
3 1 7 8 parsed_2e8d 1
2 "! F22" 10 1 10 8 parsed_2e8d 1
3 "! L23" 13 1 13 8 parsed_2e8d 1
4 "! N24" 16 1 16 8 parsed_2e8d 1
5 "! C25" 19 1 19 8 parsed_2e8d 1
6 "! Y26" 22 1 22 8 parsed_2e8d 1
7 "! V27" 25 1 25 8 parsed_2e8d 1
8 "! S28" 28 1 28 8 parsed_2e8d 1
9
;
! G29
!assign ( resid 9 and name c) ( resid 10 and name n)
!( resid 10 and name ca) ( resid 10 and name c) 1.0 72.000 9.000 2
! F30
;
31 1 34 8 parsed_2e8d 1
10
;
! H31
!assign ( resid 11 and name c) ( resid 12 and name n)
!( resid 12 and name ca) ( resid 12 and name c) 1.0 -88.0 37.0 2
! P32
!assign ( resid 12 and name c) ( resid 13 and name n)
!( resid 13 and name ca) ( resid 13 and name c) 1.0 -78.0 25.0 2
! S33
;
37 1 43 8 parsed_2e8d 1
11 "! D34" 46 1 46 7 parsed_2e8d 1
12 "! I35" 49 1 49 8 parsed_2e8d 1
13 "! E36" 52 1 52 8 parsed_2e8d 1
14 "! V37" 55 1 55 8 parsed_2e8d 1
15 "! D38" 58 1 58 8 parsed_2e8d 1
16 "! L39" 61 1 61 8 parsed_2e8d 1
17 "! L40" 64 1 64 8 parsed_2e8d 1
18
;
!Molecular B (23-44)
! N21
;
68 1 71 8 parsed_2e8d 1
19 "! F22" 74 1 74 8 parsed_2e8d 1
20 "! L23" 77 1 77 8 parsed_2e8d 1
21 "! N24" 80 1 80 8 parsed_2e8d 1
22 "! C25" 83 1 83 8 parsed_2e8d 1
23 "! Y26" 86 1 86 8 parsed_2e8d 1
24 "! V27" 89 1 89 8 parsed_2e8d 1
25 "! S28" 92 1 92 8 parsed_2e8d 1
26
;
! G29
!assign ( resid 31 and name c) ( resid 32 and name n)
!( resid 32 and name ca) ( resid 32 and name c) 1.0 72.000 9.000 2
! F30
;
95 1 98 8 parsed_2e8d 1
27
;
! H31
!assign ( resid 33 and name c) ( resid 34 and name n)
!( resid 34 and name ca) ( resid 34 and name c) 1.0 -88.0 37.0 2
! P32
!assign ( resid 34 and name c) ( resid 35 and name n)
!( resid 35 and name ca) ( resid 35 and name c) 1.0 -78.0 25.0 2
! S33
;
101 1 107 8 parsed_2e8d 1
28 "! D34" 110 1 110 7 parsed_2e8d 1
29 "! I35" 113 1 113 8 parsed_2e8d 1
30 "! E36" 116 1 116 8 parsed_2e8d 1
31 "! V37" 119 1 119 8 parsed_2e8d 1
32 "! D38" 122 1 122 8 parsed_2e8d 1
33 "! L39" 125 1 125 8 parsed_2e8d 1
34 "! L40" 128 1 128 8 parsed_2e8d 1
35
;
!Molecular C (45-66)
! N21
;
132 1 135 8 parsed_2e8d 1
36 "! F22" 138 1 138 8 parsed_2e8d 1
37 "! L23" 141 1 141 8 parsed_2e8d 1
38 "! N24" 144 1 144 8 parsed_2e8d 1
39 "! C25" 147 1 147 8 parsed_2e8d 1
40 "! Y26" 150 1 150 8 parsed_2e8d 1
41 "! V27" 153 1 153 8 parsed_2e8d 1
42 "! S28" 156 1 156 8 parsed_2e8d 1
43
;
! G29
!assign ( resid 53 and name c) ( resid 54 and name n)
!( resid 54 and name ca) ( resid 54 and name c) 1.0 72.000 9.000 2
! F30
;
159 1 162 8 parsed_2e8d 1
44
;
! H31
!assign ( resid 55 and name c) ( resid 56 and name n)
!( resid 56 and name ca) ( resid 56 and name c) 1.0 -88.0 37.0 2
! P32
!assign ( resid 56 and name c) ( resid 57 and name n)
!( resid 57 and name ca) ( resid 57 and name c) 1.0 -78.0 25.0 2
! S33
;
165 1 171 8 parsed_2e8d 1
45 "! D34" 174 1 174 7 parsed_2e8d 1
46 "! I35" 177 1 177 8 parsed_2e8d 1
47 "! E36" 180 1 180 8 parsed_2e8d 1
48 "! V37" 183 1 183 8 parsed_2e8d 1
49 "! D38" 186 1 186 8 parsed_2e8d 1
50 "! L39" 189 1 189 8 parsed_2e8d 1
51 "! L40" 192 1 192 8 parsed_2e8d 1
52
;
!Molecular D (67-88)
! N21
;
196 1 199 8 parsed_2e8d 1
53 "! F22" 202 1 202 8 parsed_2e8d 1
54 "! L23" 205 1 205 8 parsed_2e8d 1
55 "! N24" 208 1 208 8 parsed_2e8d 1
56 "! C25" 211 1 211 8 parsed_2e8d 1
57 "! Y26" 214 1 214 8 parsed_2e8d 1
58 "! V27" 217 1 217 8 parsed_2e8d 1
59 "! S28" 220 1 220 8 parsed_2e8d 1
60
;
! G29
!assign ( resid 75 and name c) ( resid 76 and name n)
!( resid 76 and name ca) ( resid 76 and name c) 1.0 72.000 9.000 2
! F30
;
223 1 226 8 parsed_2e8d 1
61
;
! H31
!assign ( resid 77 and name c) ( resid 78 and name n)
!( resid 78 and name ca) ( resid 78 and name c) 1.0 -88.0 37.0 2
! P32
!assign ( resid 78 and name c) ( resid 79 and name n)
!( resid 79 and name ca) ( resid 79 and name c) 1.0 -78.0 25.0 2
! S33
;
229 1 235 8 parsed_2e8d 1
62 "! D34" 238 1 238 7 parsed_2e8d 1
63 "! I35" 241 1 241 8 parsed_2e8d 1
64 "! E36" 244 1 244 8 parsed_2e8d 1
65 "! V37" 247 1 247 8 parsed_2e8d 1
66 "! D38" 250 1 250 8 parsed_2e8d 1
67 "! L39" 253 1 253 8 parsed_2e8d 1
68 "! L40" 256 1 256 8 parsed_2e8d 1
69
;
! PSI restraints
!Molecular A (1-22)
! N21
;
261 1 266 8 parsed_2e8d 1
70 "! F22" 269 1 269 8 parsed_2e8d 1
71 "! L23" 272 1 272 8 parsed_2e8d 1
72 "! N24" 275 1 275 8 parsed_2e8d 1
73 "! C25" 278 1 278 8 parsed_2e8d 1
74 "! Y26" 281 1 281 8 parsed_2e8d 1
75 "! V27" 284 1 284 8 parsed_2e8d 1
76 "! S28" 287 1 287 8 parsed_2e8d 1
77
;
! G29
!assign ( resid 10 and name n) ( resid 10 and name ca)
!( resid 10 and name c) ( resid 11 and name n) 1.0 18.0 5.0 2
! F30
;
290 1 293 8 parsed_2e8d 1
78
;
! H31
!assign ( resid 12 and name n) ( resid 12 and name ca)
!( resid 12 and name c) ( resid 13 and name n) 1.0 136.0 11.0 2
! P32
!assign ( resid 13 and name n) ( resid 13 and name ca)
!( resid 13 and name c) ( resid 14 and name n) 1.0 132.0 13.0 2
! S33
;
296 1 302 8 parsed_2e8d 1
79 "! D34" 305 1 305 8 parsed_2e8d 1
80 "! I35" 308 1 308 8 parsed_2e8d 1
81 "! E36" 311 1 311 8 parsed_2e8d 1
82 "! V37" 314 1 314 8 parsed_2e8d 1
83 "! D38" 317 1 317 8 parsed_2e8d 1
84 "! L39" 320 1 320 8 parsed_2e8d 1
85 "! L40" 323 1 323 8 parsed_2e8d 1
86
;
!Molecular B (23-44)
! N21
;
327 1 330 8 parsed_2e8d 1
87 "! F22" 333 1 333 8 parsed_2e8d 1
88 "! L23" 336 1 336 8 parsed_2e8d 1
89 "! N24" 339 1 339 8 parsed_2e8d 1
90 "! C25" 342 1 342 8 parsed_2e8d 1
91 "! Y26" 345 1 345 8 parsed_2e8d 1
92 "! V27" 348 1 348 8 parsed_2e8d 1
93 "! S28" 351 1 351 8 parsed_2e8d 1
94
;
! G29
!assign ( resid 32 and name n) ( resid 32 and name ca)
!( resid 32 and name c) ( resid 33 and name n) 1.0 18.0 5.0 2
! F30
;
354 1 357 8 parsed_2e8d 1
95
;
! H31
!assign ( resid 34 and name n) ( resid 34 and name ca)
!( resid 34 and name c) ( resid 35 and name n) 1.0 136.0 11.0 2
! P32
!assign ( resid 35 and name n) ( resid 35 and name ca)
!( resid 35 and name c) ( resid 36 and name n) 1.0 132.0 13.0 2
! S33
;
360 1 366 8 parsed_2e8d 1
96 "! D34" 369 1 369 8 parsed_2e8d 1
97 "! I35" 372 1 372 8 parsed_2e8d 1
98 "! E36" 375 1 375 8 parsed_2e8d 1
99 "! V37" 378 1 378 8 parsed_2e8d 1
100 "! D38" 381 1 381 8 parsed_2e8d 1
101 "! L39" 384 1 384 8 parsed_2e8d 1
102 "! L40" 387 1 387 8 parsed_2e8d 1
103
;
!Molecular C (45-66)
! N21
;
391 1 394 8 parsed_2e8d 1
104 "! F22" 397 1 397 8 parsed_2e8d 1
105 "! L23" 400 1 400 8 parsed_2e8d 1
106 "! N24" 403 1 403 8 parsed_2e8d 1
107 "! C25" 406 1 406 8 parsed_2e8d 1
108 "! Y26" 409 1 409 8 parsed_2e8d 1
109 "! V27" 412 1 412 8 parsed_2e8d 1
110 "! S28" 415 1 415 8 parsed_2e8d 1
111
;
! G29
!assign ( resid 54 and name n) ( resid 54 and name ca)
!( resid 54 and name c) ( resid 55 and name n) 1.0 18.0 5.0 2
! F30
;
418 1 421 8 parsed_2e8d 1
112
;
! H31
!assign ( resid 56 and name n) ( resid 56 and name ca)
!( resid 56 and name c) ( resid 57 and name n) 1.0 136.0 11.0 2
! P32
!assign ( resid 57 and name n) ( resid 57 and name ca)
!( resid 57 and name c) ( resid 58 and name n) 1.0 132.0 13.0 2
! S33
;
424 1 430 8 parsed_2e8d 1
113 "! D34" 433 1 433 8 parsed_2e8d 1
114 "! I35" 436 1 436 8 parsed_2e8d 1
115 "! E36" 439 1 439 8 parsed_2e8d 1
116 "! V37" 442 1 442 8 parsed_2e8d 1
117 "! D38" 445 1 445 8 parsed_2e8d 1
118 "! L39" 448 1 448 8 parsed_2e8d 1
119 "! L40" 451 1 451 8 parsed_2e8d 1
120
;
!Molecular D (67-88)
! N21
;
455 1 458 8 parsed_2e8d 1
121 "! F22" 461 1 461 8 parsed_2e8d 1
122 "! L23" 464 1 464 8 parsed_2e8d 1
123 "! N24" 467 1 467 8 parsed_2e8d 1
124 "! C25" 470 1 470 8 parsed_2e8d 1
125 "! Y26" 473 1 473 8 parsed_2e8d 1
126 "! V27" 476 1 476 8 parsed_2e8d 1
127 "! S28" 479 1 479 8 parsed_2e8d 1
128
;
! G29
!assign ( resid 76 and name n) ( resid 76 and name ca)
!( resid 76 and name c) ( resid 77 and name n) 1.0 18.0 5.0 2
! F30
;
482 1 485 8 parsed_2e8d 1
129
;
! H31
!assign ( resid 78 and name n) ( resid 78 and name ca)
!( resid 78 and name c) ( resid 79 and name n) 1.0 136.0 11.0 2
! P32
!assign ( resid 79 and name n) ( resid 79 and name ca)
!( resid 79 and name c) ( resid 80 and name n) 1.0 132.0 13.0 2
! S33
;
488 1 494 8 parsed_2e8d 1
130 "! D34" 497 1 497 8 parsed_2e8d 1
131 "! I35" 500 1 500 8 parsed_2e8d 1
132 "! E36" 503 1 503 8 parsed_2e8d 1
133 "! V37" 506 1 506 8 parsed_2e8d 1
134 "! D38" 509 1 509 8 parsed_2e8d 1
135 "! L39" 512 1 512 8 parsed_2e8d 1
136 "! L40" 515 1 515 8 parsed_2e8d 1
stop_
save_
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