Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
33389 | 1i6y RC | 5201 | cing | 2-parsed | STAR | entry | full | 127 |
data_1i6y_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1i6y
_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_1i6y 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1i6y
_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 1i6y "Master copy" parsed_1i6y
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1i6y
_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 1i6y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1i6y 1
1 1i6y.mr . . XPLOR/CNS 2 distance NOE simple 117 parsed_1i6y 1
1 1i6y.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1i6y 1
1 1i6y.mr . . XPLOR/CNS 4 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1i6y 1
1 1i6y.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1i6y 1
1 1i6y.mr . . XPLOR/CNS 6 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1i6y 1
1 1i6y.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1i6y 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_1i6y
_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 CELL ADHESION 06-MAR-01 1I6Y
*TITLE NMR ENSEMBLE OF ION-SELECTIVE LIGAND A1 FOR PLATELET
*TITLE 2 INTEGRIN ALPHAIIB-BETA3
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ION-SELECTIVE LIGAND A1;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED:
*SOURCE 4 COMMERCIAL SOLID PHASE WITH CYCLIZATION VIA SELECTIVE
*SOURCE 5 DISULPHIDE OXIDATION.
*KEYWDS INTEGRIN, RGD
*EXPDTA NMR, 15 STRUCTURES
*AUTHOR J.W.SMITH, H.LE CALVEZ, L.PARRA-GESSERT, N.E.PREECE, X.JIA,
*AUTHOR 2 N.ASSA-MUNT
*REVDAT 1 10-JUL-02 1I6Y 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1i6y
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1i6y 1
2 1 . . . parsed_1i6y 1
3 1 . . . parsed_1i6y 1
4 1 . . . parsed_1i6y 1
5 1 . . . parsed_1i6y 1
6 1 . . . parsed_1i6y 1
7 1 . . . parsed_1i6y 1
8 1 . . . parsed_1i6y 1
9 1 . . . parsed_1i6y 1
10 1 . . . parsed_1i6y 1
11 1 . . . parsed_1i6y 1
12 1 . . . parsed_1i6y 1
13 1 . . . parsed_1i6y 1
14 1 . . . parsed_1i6y 1
15 1 . . . parsed_1i6y 1
16 1 . . . parsed_1i6y 1
17 1 . . . parsed_1i6y 1
18 1 . . . parsed_1i6y 1
19 1 . . . parsed_1i6y 1
20 1 . . . parsed_1i6y 1
21 1 . . . parsed_1i6y 1
22 1 . . . parsed_1i6y 1
23 1 . . . parsed_1i6y 1
24 1 . . . parsed_1i6y 1
25 1 . . . parsed_1i6y 1
26 1 . . . parsed_1i6y 1
27 1 . . . parsed_1i6y 1
28 1 . . . parsed_1i6y 1
29 1 . . . parsed_1i6y 1
30 1 . . . parsed_1i6y 1
31 1 . . . parsed_1i6y 1
32 1 . . . parsed_1i6y 1
33 1 . . . parsed_1i6y 1
34 1 . . . parsed_1i6y 1
35 1 . . . parsed_1i6y 1
36 1 . . . parsed_1i6y 1
37 1 . . . parsed_1i6y 1
38 1 . . . parsed_1i6y 1
39 1 . . . parsed_1i6y 1
40 1 . . . parsed_1i6y 1
41 1 . . . parsed_1i6y 1
42 1 . . . parsed_1i6y 1
43 1 . . . parsed_1i6y 1
44 1 . . . parsed_1i6y 1
45 1 . . . parsed_1i6y 1
46 1 . . . parsed_1i6y 1
47 1 . . . parsed_1i6y 1
48 1 . . . parsed_1i6y 1
49 1 . . . parsed_1i6y 1
50 1 . . . parsed_1i6y 1
51 1 . . . parsed_1i6y 1
52 1 . . . parsed_1i6y 1
53 1 . . . parsed_1i6y 1
54 1 . . . parsed_1i6y 1
55 1 . . . parsed_1i6y 1
56 1 . . . parsed_1i6y 1
57 1 . . . parsed_1i6y 1
58 1 . . . parsed_1i6y 1
59 1 . . . parsed_1i6y 1
60 1 . . . parsed_1i6y 1
61 1 . . . parsed_1i6y 1
62 1 . . . parsed_1i6y 1
63 1 . . . parsed_1i6y 1
64 1 . . . parsed_1i6y 1
65 1 . . . parsed_1i6y 1
66 1 . . . parsed_1i6y 1
67 1 . . . parsed_1i6y 1
68 1 . . . parsed_1i6y 1
69 1 . . . parsed_1i6y 1
70 1 . . . parsed_1i6y 1
71 1 . . . parsed_1i6y 1
72 1 . . . parsed_1i6y 1
73 1 . . . parsed_1i6y 1
74 1 . . . parsed_1i6y 1
75 1 . . . parsed_1i6y 1
76 1 . . . parsed_1i6y 1
77 1 . . . parsed_1i6y 1
78 1 . . . parsed_1i6y 1
79 1 . . . parsed_1i6y 1
80 1 . . . parsed_1i6y 1
81 1 . . . parsed_1i6y 1
82 1 . . . parsed_1i6y 1
83 1 . . . parsed_1i6y 1
84 1 . . . parsed_1i6y 1
85 1 . . . parsed_1i6y 1
86 1 . . . parsed_1i6y 1
87 1 . . . parsed_1i6y 1
88 1 . . . parsed_1i6y 1
89 1 . . . parsed_1i6y 1
90 1 . . . parsed_1i6y 1
91 1 . . . parsed_1i6y 1
92 1 . . . parsed_1i6y 1
93 1 . . . parsed_1i6y 1
94 1 . . . parsed_1i6y 1
95 1 . . . parsed_1i6y 1
96 1 . . . parsed_1i6y 1
97 1 . . . parsed_1i6y 1
98 1 . . . parsed_1i6y 1
99 1 . . . parsed_1i6y 1
100 1 . . . parsed_1i6y 1
101 1 . . . parsed_1i6y 1
102 1 . . . parsed_1i6y 1
103 1 . . . parsed_1i6y 1
104 1 . . . parsed_1i6y 1
105 1 . . . parsed_1i6y 1
106 1 . . . parsed_1i6y 1
107 1 . . . parsed_1i6y 1
108 1 . . . parsed_1i6y 1
109 1 . . . parsed_1i6y 1
110 1 . . . parsed_1i6y 1
111 1 . . . parsed_1i6y 1
112 1 . . . parsed_1i6y 1
113 1 . . . parsed_1i6y 1
114 1 . . . parsed_1i6y 1
115 1 . . . parsed_1i6y 1
116 1 . . . parsed_1i6y 1
117 1 . . . parsed_1i6y 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 . . . . . . . . . 2 . HN parsed_1i6y 1
1 1 2 . . . . . . . . . 1 . HA* parsed_1i6y 1
2 1 1 . . . . . . . . . 2 . HN parsed_1i6y 1
2 1 2 . . . . . . . . . 2 . HB* parsed_1i6y 1
3 1 1 . . . . . . . . . 3 . HB* parsed_1i6y 1
3 1 2 . . . . . . . . . 3 . HD* parsed_1i6y 1
4 1 1 . . . . . . . . . 3 . HG* parsed_1i6y 1
4 1 2 . . . . . . . . . 3 . HA parsed_1i6y 1
5 1 1 . . . . . . . . . 3 . HE parsed_1i6y 1
5 1 2 . . . . . . . . . 3 . HB* parsed_1i6y 1
6 1 1 . . . . . . . . . 3 . HE parsed_1i6y 1
6 1 2 . . . . . . . . . 3 . HG* parsed_1i6y 1
7 1 1 . . . . . . . . . 3 . HN parsed_1i6y 1
7 1 2 . . . . . . . . . 3 . HA parsed_1i6y 1
8 1 1 . . . . . . . . . 3 . HN parsed_1i6y 1
8 1 2 . . . . . . . . . 3 . HB* parsed_1i6y 1
9 1 1 . . . . . . . . . 3 . HN parsed_1i6y 1
9 1 2 . . . . . . . . . 3 . HG* parsed_1i6y 1
10 1 1 . . . . . . . . . 3 . HN parsed_1i6y 1
10 1 2 . . . . . . . . . 3 . HD* parsed_1i6y 1
11 1 1 . . . . . . . . . 3 . HN parsed_1i6y 1
11 1 2 . . . . . . . . . 2 . HA parsed_1i6y 1
12 1 1 . . . . . . . . . 3 . HN parsed_1i6y 1
12 1 2 . . . . . . . . . 2 . HB* parsed_1i6y 1
13 1 1 . . . . . . . . . 4 . HA parsed_1i6y 1
13 1 2 . . . . . . . . . 3 . HA parsed_1i6y 1
14 1 1 . . . . . . . . . 4 . HG1* parsed_1i6y 1
14 1 2 . . . . . . . . . 3 . HA parsed_1i6y 1
15 1 1 . . . . . . . . . 4 . HG** parsed_1i6y 1
15 1 2 . . . . . . . . . 4 . HA parsed_1i6y 1
16 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
16 1 2 . . . . . . . . . 3 . HA parsed_1i6y 1
17 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
17 1 2 . . . . . . . . . 3 . HB* parsed_1i6y 1
18 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
18 1 2 . . . . . . . . . 3 . HG* parsed_1i6y 1
19 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
19 1 2 . . . . . . . . . 3 . HN parsed_1i6y 1
20 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
20 1 2 . . . . . . . . . 4 . HA parsed_1i6y 1
21 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
21 1 2 . . . . . . . . . 4 . HB parsed_1i6y 1
22 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
22 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
23 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
23 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
24 1 1 . . . . . . . . . 4 . HN parsed_1i6y 1
24 1 2 . . . . . . . . . 5 . HN parsed_1i6y 1
25 1 1 . . . . . . . . . 5 . HG** parsed_1i6y 1
25 1 2 . . . . . . . . . 5 . HA parsed_1i6y 1
26 1 1 . . . . . . . . . 5 . HG** parsed_1i6y 1
26 1 2 . . . . . . . . . 6 . HA parsed_1i6y 1
27 1 1 . . . . . . . . . 5 . HG** parsed_1i6y 1
27 1 2 . . . . . . . . . 6 . HG* parsed_1i6y 1
28 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
28 1 2 . . . . . . . . . 4 . HA parsed_1i6y 1
29 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
29 1 2 . . . . . . . . . 4 . HB parsed_1i6y 1
30 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
30 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
31 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
31 1 2 . . . . . . . . . 5 . HA parsed_1i6y 1
32 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
32 1 2 . . . . . . . . . 5 . HB parsed_1i6y 1
33 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
33 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
34 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
34 1 2 . . . . . . . . . 6 . HN parsed_1i6y 1
35 1 1 . . . . . . . . . 6 . HB* parsed_1i6y 1
35 1 2 . . . . . . . . . 6 . HD* parsed_1i6y 1
36 1 1 . . . . . . . . . 6 . HG* parsed_1i6y 1
36 1 2 . . . . . . . . . 6 . HA parsed_1i6y 1
37 1 1 . . . . . . . . . 6 . HE parsed_1i6y 1
37 1 2 . . . . . . . . . 6 . HB* parsed_1i6y 1
38 1 1 . . . . . . . . . 6 . HE parsed_1i6y 1
38 1 2 . . . . . . . . . 6 . HG* parsed_1i6y 1
39 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
39 1 2 . . . . . . . . . 5 . HA parsed_1i6y 1
40 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
40 1 2 . . . . . . . . . 5 . HB parsed_1i6y 1
41 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
41 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
42 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
42 1 2 . . . . . . . . . 6 . HA parsed_1i6y 1
43 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
43 1 2 . . . . . . . . . 6 . HB* parsed_1i6y 1
44 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
44 1 2 . . . . . . . . . 6 . HG* parsed_1i6y 1
45 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
45 1 2 . . . . . . . . . 6 . HA parsed_1i6y 1
46 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
46 1 2 . . . . . . . . . 6 . HB* parsed_1i6y 1
47 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
47 1 2 . . . . . . . . . 6 . HG* parsed_1i6y 1
48 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
48 1 2 . . . . . . . . . 6 . HN parsed_1i6y 1
49 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
49 1 2 . . . . . . . . . 7 . HA* parsed_1i6y 1
50 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
50 1 2 . . . . . . . . . 7 . HA* parsed_1i6y 1
51 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
51 1 2 . . . . . . . . . 7 . HN parsed_1i6y 1
52 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
52 1 2 . . . . . . . . . 8 . HA parsed_1i6y 1
53 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
53 1 2 . . . . . . . . . 8 . HB* parsed_1i6y 1
54 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
54 1 2 . . . . . . . . . 9 . HN parsed_1i6y 1
55 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
55 1 2 . . . . . . . . . 9 . HA parsed_1i6y 1
56 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
56 1 2 . . . . . . . . . 9 . HB* parsed_1i6y 1
57 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
57 1 2 . . . . . . . . . 10 . HD** parsed_1i6y 1
58 1 1 . . . . . . . . . 9 . HE* parsed_1i6y 1
58 1 2 . . . . . . . . . 9 . HA parsed_1i6y 1
59 1 1 . . . . . . . . . 9 . HE* parsed_1i6y 1
59 1 2 . . . . . . . . . 9 . HB* parsed_1i6y 1
60 1 1 . . . . . . . . . 9 . HE* parsed_1i6y 1
60 1 2 . . . . . . . . . 10 . HD** parsed_1i6y 1
61 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
61 1 2 . . . . . . . . . 8 . HN parsed_1i6y 1
62 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
62 1 2 . . . . . . . . . 9 . HN parsed_1i6y 1
63 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
63 1 2 . . . . . . . . . 10 . HN parsed_1i6y 1
64 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
64 1 2 . . . . . . . . . 8 . HA parsed_1i6y 1
65 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
65 1 2 . . . . . . . . . 8 . HB* parsed_1i6y 1
66 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
66 1 2 . . . . . . . . . 9 . HA parsed_1i6y 1
67 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
67 1 2 . . . . . . . . . 9 . HB* parsed_1i6y 1
68 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
68 1 2 . . . . . . . . . 10 . HN parsed_1i6y 1
69 1 1 . . . . . . . . . 10 . HG* parsed_1i6y 1
69 1 2 . . . . . . . . . 10 . HA parsed_1i6y 1
70 1 1 . . . . . . . . . 10 . HD** parsed_1i6y 1
70 1 2 . . . . . . . . . 10 . HA parsed_1i6y 1
71 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
71 1 2 . . . . . . . . . 9 . HA parsed_1i6y 1
72 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
72 1 2 . . . . . . . . . 9 . HB* parsed_1i6y 1
73 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
73 1 2 . . . . . . . . . 10 . HA parsed_1i6y 1
74 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
74 1 2 . . . . . . . . . 10 . HB* parsed_1i6y 1
75 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
75 1 2 . . . . . . . . . 10 . HD** parsed_1i6y 1
76 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
76 1 2 . . . . . . . . . 11 . HN parsed_1i6y 1
77 1 1 . . . . . . . . . 11 . HN parsed_1i6y 1
77 1 2 . . . . . . . . . 10 . HA parsed_1i6y 1
78 1 1 . . . . . . . . . 11 . HN parsed_1i6y 1
78 1 2 . . . . . . . . . 10 . HD** parsed_1i6y 1
79 1 1 . . . . . . . . . 11 . HN parsed_1i6y 1
79 1 2 . . . . . . . . . 11 . HA parsed_1i6y 1
80 1 1 . . . . . . . . . 11 . HN parsed_1i6y 1
80 1 2 . . . . . . . . . 11 . HB* parsed_1i6y 1
81 1 1 . . . . . . . . . 12 . H1 parsed_1i6y 1
81 1 2 . . . . . . . . . 12 . HB* parsed_1i6y 1
82 1 1 . . . . . . . . . 12 . H1 parsed_1i6y 1
82 1 2 . . . . . . . . . 12 . HN parsed_1i6y 1
83 1 1 . . . . . . . . . 12 . H2 parsed_1i6y 1
83 1 2 . . . . . . . . . 12 . HN parsed_1i6y 1
84 1 1 . . . . . . . . . 12 . HN parsed_1i6y 1
84 1 2 . . . . . . . . . 12 . HB* parsed_1i6y 1
85 1 1 . . . . . . . . . 4 . HG** parsed_1i6y 1
85 1 2 . . . . . . . . . 7 . HA* parsed_1i6y 1
86 1 1 . . . . . . . . . 4 . HG** parsed_1i6y 1
86 1 2 . . . . . . . . . 8 . HA parsed_1i6y 1
87 1 1 . . . . . . . . . 5 . HG** parsed_1i6y 1
87 1 2 . . . . . . . . . 11 . HB* parsed_1i6y 1
88 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
88 1 2 . . . . . . . . . 8 . HB* parsed_1i6y 1
89 1 1 . . . . . . . . . 5 . HN parsed_1i6y 1
89 1 2 . . . . . . . . . 8 . HN parsed_1i6y 1
90 1 1 . . . . . . . . . 6 . HN parsed_1i6y 1
90 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
91 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
91 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
92 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
92 1 2 . . . . . . . . . 5 . HA parsed_1i6y 1
93 1 1 . . . . . . . . . 7 . HN parsed_1i6y 1
93 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
94 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
94 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
95 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
95 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
96 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
96 1 2 . . . . . . . . . 6 . HA parsed_1i6y 1
97 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
97 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
98 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
98 1 2 . . . . . . . . . 5 . HB parsed_1i6y 1
99 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
99 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
100 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
100 1 2 . . . . . . . . . 6 . HB* parsed_1i6y 1
101 1 1 . . . . . . . . . 9 . HD* parsed_1i6y 1
101 1 2 . . . . . . . . . 11 . HB* parsed_1i6y 1
102 1 1 . . . . . . . . . 9 . HE* parsed_1i6y 1
102 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
103 1 1 . . . . . . . . . 9 . HE* parsed_1i6y 1
103 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
104 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
104 1 2 . . . . . . . . . 4 . HG** parsed_1i6y 1
105 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
105 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
106 1 1 . . . . . . . . . 9 . HN parsed_1i6y 1
106 1 2 . . . . . . . . . 5 . HN parsed_1i6y 1
107 1 1 . . . . . . . . . 10 . HB* parsed_1i6y 1
107 1 2 . . . . . . . . . 3 . HB* parsed_1i6y 1
108 1 1 . . . . . . . . . 10 . HD** parsed_1i6y 1
108 1 2 . . . . . . . . . 3 . HB* parsed_1i6y 1
109 1 1 . . . . . . . . . 10 . HD** parsed_1i6y 1
109 1 2 . . . . . . . . . 4 . HA parsed_1i6y 1
110 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
110 1 2 . . . . . . . . . 3 . HN parsed_1i6y 1
111 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
111 1 2 . . . . . . . . . 4 . HA parsed_1i6y 1
112 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
112 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
113 1 1 . . . . . . . . . 10 . HN parsed_1i6y 1
113 1 2 . . . . . . . . . 8 . HB* parsed_1i6y 1
114 1 1 . . . . . . . . . 11 . HN parsed_1i6y 1
114 1 2 . . . . . . . . . 5 . HG** parsed_1i6y 1
115 1 1 . . . . . . . . . 11 . HN parsed_1i6y 1
115 1 2 . . . . . . . . . 9 . HD* parsed_1i6y 1
116 1 1 . . . . . . . . . 8 . HN parsed_1i6y 1
116 1 2 . . . . . . . . . 5 . O parsed_1i6y 1
117 1 1 . . . . . . . . . 8 . N parsed_1i6y 1
117 1 2 . . . . . . . . . 5 . O parsed_1i6y 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 . . . . . 3.3 1.80 4.83 parsed_1i6y 1
2 1 . . . . . 3.3 1.80 3.92 parsed_1i6y 1
3 1 . . . . . 2.7 1.80 3.94 parsed_1i6y 1
4 1 . . . . . 5 1.80 5.62 parsed_1i6y 1
5 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
6 1 . . . . . 5 1.80 5.62 parsed_1i6y 1
7 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
8 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
9 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
10 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
11 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
12 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
13 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
14 1 . . . . . 5 1.80 6.53 parsed_1i6y 1
15 1 . . . . . 2.7 1.80 3.96 parsed_1i6y 1
16 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
17 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
18 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
19 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
20 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
21 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
22 1 . . . . . 5 1.80 7.23 parsed_1i6y 1
23 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
24 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
25 1 . . . . . 2.7 1.80 3.96 parsed_1i6y 1
26 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
27 1 . . . . . 3.3 1.80 6.94 parsed_1i6y 1
28 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
29 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
30 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
31 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
32 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
33 1 . . . . . 3.3 1.80 5.53 parsed_1i6y 1
34 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
35 1 . . . . . 3.3 1.80 4.54 parsed_1i6y 1
36 1 . . . . . 3.3 1.80 3.92 parsed_1i6y 1
37 1 . . . . . 5 1.80 5.62 parsed_1i6y 1
38 1 . . . . . 5 1.80 5.62 parsed_1i6y 1
39 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
40 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
41 1 . . . . . 3.3 1.80 6.11 parsed_1i6y 1
42 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
43 1 . . . . . 3.3 1.80 3.92 parsed_1i6y 1
44 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
45 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
46 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
47 1 . . . . . 6 3.00 6.88 parsed_1i6y 1
48 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
49 1 . . . . . 2.7 1.80 3.22 parsed_1i6y 1
50 1 . . . . . 5 1.8 5.8 parsed_1i6y 1
51 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
52 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
53 1 . . . . . 3.3 1.80 3.92 parsed_1i6y 1
54 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
55 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
56 1 . . . . . 2.7 1.80 3.58 parsed_1i6y 1
57 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
58 1 . . . . . 6 3.00 6.88 parsed_1i6y 1
59 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
60 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
61 1 . . . . . 6 3 6 parsed_1i6y 1
62 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
63 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
64 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
65 1 . . . . . 5 1.80 5.88 parsed_1i6y 1
66 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
67 1 . . . . . 2.7 1.80 3.32 parsed_1i6y 1
68 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
69 1 . . . . . 3.3 1.80 3.92 parsed_1i6y 1
70 1 . . . . . 3.3 1.80 4.88 parsed_1i6y 1
71 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
72 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
73 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
74 1 . . . . . 3.3 1.80 3.95 parsed_1i6y 1
75 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
76 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
77 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
78 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
79 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
80 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
81 1 . . . . . 6 3.00 6.88 parsed_1i6y 1
82 1 . . . . . 3.3 1.8 3.3 parsed_1i6y 1
83 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
84 1 . . . . . 3.3 1.80 4.18 parsed_1i6y 1
85 1 . . . . . 5 1.80 8.41 parsed_1i6y 1
86 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
87 1 . . . . . 5 1.80 8.41 parsed_1i6y 1
88 1 . . . . . 6 3.00 7.03 parsed_1i6y 1
89 1 . . . . . 5 1.8 5.0 parsed_1i6y 1
90 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
91 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
92 1 . . . . . 6 3 6 parsed_1i6y 1
93 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
94 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
95 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
96 1 . . . . . 6 3 6 parsed_1i6y 1
97 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
98 1 . . . . . 6 3 6 parsed_1i6y 1
99 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
100 1 . . . . . 5 1.80 6.03 parsed_1i6y 1
101 1 . . . . . 6 3.00 6.88 parsed_1i6y 1
102 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
103 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
104 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
105 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
106 1 . . . . . 6 3 6 parsed_1i6y 1
107 1 . . . . . 6 3.00 8.06 parsed_1i6y 1
108 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
109 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
110 1 . . . . . 6 3 6 parsed_1i6y 1
111 1 . . . . . 6 3 6 parsed_1i6y 1
112 1 . . . . . 6 3.00 8.81 parsed_1i6y 1
113 1 . . . . . 6 3.00 6.88 parsed_1i6y 1
114 1 . . . . . 5 1.80 7.81 parsed_1i6y 1
115 1 . . . . . 6 3 6 parsed_1i6y 1
116 1 . . . . . 2.3 1.5 2.3 parsed_1i6y 1
117 1 . . . . . 3.3 2.4 3.3 parsed_1i6y 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
;
A1 NOE_constraints
C1
;
1 1 2 4 parsed_1i6y 1
2 R2 5 1 5 4 parsed_1i6y 1
3 V3 16 1 16 4 parsed_1i6y 1
4 V4 29 1 29 4 parsed_1i6y 1
5 R5 40 1 40 4 parsed_1i6y 1
6 G6 51 1 51 4 parsed_1i6y 1
7 D7 57 1 57 4 parsed_1i6y 1
8 Y8 63 1 63 4 parsed_1i6y 1
9 L9 78 1 78 4 parsed_1i6y 1
10 D10 87 1 87 5 parsed_1i6y 1
11 C11 92 1 92 5 parsed_1i6y 1
12 "long rang" 97 1 97 11 parsed_1i6y 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1i6y
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1i6y 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_1i6y 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -75 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_1i6y 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_1i6y 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_1i6y 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1i6y 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1i6y 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145 -55 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_1i6y 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_1i6y 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 90 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_1i6y 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
;
A1 Dihedral angle constrains
Phi-angles
!R2
;
1 1 4 5 parsed_1i6y 1
2 !V3 7 1 7 5 parsed_1i6y 1
3 !V4 10 1 10 5 parsed_1i6y 1
4 !R5 13 1 13 5 parsed_1i6y 1
5 !D7 16 1 16 5 parsed_1i6y 1
6 !Y8 19 1 19 5 parsed_1i6y 1
7 !L9 22 1 22 5 parsed_1i6y 1
8 !D10 25 1 25 6 parsed_1i6y 1
9 Chi-angles 29 1 29 12 parsed_1i6y 1
stop_
save_