NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
28801 |
1a1p   |
cing | 2-parsed | STAR | entry | full | 145 |
data_1a1p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1a1p
_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_1a1p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1a1p
_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 1a1p "Master copy" parsed_1a1p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1a1p
_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 1a1p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1a1p 1
1 1a1p.mr . . XPLOR/CNS 2 distance NOE simple 135 parsed_1a1p 1
1 1a1p.mr . . XPLOR/CNS 3 distance "disulfide bond" simple 1 parsed_1a1p 1
1 1a1p.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_1a1p 1
1 1a1p.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1a1p 1
1 1a1p.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1a1p 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_1a1p
_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 COMPLEMENT PROTEIN 12-DEC-97 1A1P
*TITLE COMPSTATIN, NMR, 21 STRUCTURES
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: COMPSTATIN;
*COMPND 3 CHAIN: NULL;
*COMPND 4 ENGINEERED: YES;
*COMPND 5 OTHER_DETAILS: SYNTHETIC, IDENTIFIED BY A PHAGE-DISPLAYED
*COMPND 6 RANDOM PEPTIDE LIBRARY
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: CHEMICAL SYNTHESIS;
*SOURCE 3 OTHER_DETAILS: SYNTHETIC, IDENTIFIED BY A PHAGE-DISPLAYED
*SOURCE 4 RANDOM PEPTIDE LIBRARY
*KEYWDS COMPLEMENT PROTEIN, C3, COMPLEMENT INHIBITOR, NMR, PEPTIDE
*KEYWDS 2 STRUCTURE
*EXPDTA NMR, 21 STRUCTURES
*AUTHOR D.MORIKIS,N.ASSA-MUNT,A.SAHU,J.D.LAMBRIS
*REVDAT 1 08-APR-98 1A1P 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1a1p
_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_1a1p 1
2 1 . . . parsed_1a1p 1
3 1 . . . parsed_1a1p 1
4 1 . . . parsed_1a1p 1
5 1 . . . parsed_1a1p 1
6 1 . . . parsed_1a1p 1
7 1 . . . parsed_1a1p 1
8 1 . . . parsed_1a1p 1
9 1 . . . parsed_1a1p 1
10 1 . . . parsed_1a1p 1
11 1 . . . parsed_1a1p 1
12 1 . . . parsed_1a1p 1
13 1 . . . parsed_1a1p 1
14 1 . . . parsed_1a1p 1
15 1 . . . parsed_1a1p 1
16 1 . . . parsed_1a1p 1
17 1 . . . parsed_1a1p 1
18 1 . . . parsed_1a1p 1
19 1 . . . parsed_1a1p 1
20 1 . . . parsed_1a1p 1
21 1 . . . parsed_1a1p 1
22 1 . . . parsed_1a1p 1
23 1 . . . parsed_1a1p 1
24 1 . . . parsed_1a1p 1
25 1 . . . parsed_1a1p 1
26 1 . . . parsed_1a1p 1
27 1 . . . parsed_1a1p 1
28 1 . . . parsed_1a1p 1
29 1 . . . parsed_1a1p 1
30 1 . . . parsed_1a1p 1
31 1 . . . parsed_1a1p 1
32 1 . . . parsed_1a1p 1
33 1 . . . parsed_1a1p 1
34 1 . . . parsed_1a1p 1
35 1 . . . parsed_1a1p 1
36 1 . . . parsed_1a1p 1
37 1 . . . parsed_1a1p 1
38 1 . . . parsed_1a1p 1
39 1 . . . parsed_1a1p 1
40 1 . . . parsed_1a1p 1
41 1 . . . parsed_1a1p 1
42 1 . . . parsed_1a1p 1
43 1 . . . parsed_1a1p 1
44 1 . . . parsed_1a1p 1
45 1 . . . parsed_1a1p 1
46 1 . . . parsed_1a1p 1
47 1 . . . parsed_1a1p 1
48 1 . . . parsed_1a1p 1
49 1 . . . parsed_1a1p 1
50 1 . . . parsed_1a1p 1
51 1 . . . parsed_1a1p 1
52 1 . . . parsed_1a1p 1
53 1 . . . parsed_1a1p 1
54 1 . . . parsed_1a1p 1
55 1 . . . parsed_1a1p 1
56 1 . . . parsed_1a1p 1
57 1 . . . parsed_1a1p 1
58 1 . . . parsed_1a1p 1
59 1 . . . parsed_1a1p 1
60 1 . . . parsed_1a1p 1
61 1 . . . parsed_1a1p 1
62 1 . . . parsed_1a1p 1
63 1 . . . parsed_1a1p 1
64 1 . . . parsed_1a1p 1
65 1 . . . parsed_1a1p 1
66 1 . . . parsed_1a1p 1
67 1 . . . parsed_1a1p 1
68 1 . . . parsed_1a1p 1
69 1 . . . parsed_1a1p 1
70 1 . . . parsed_1a1p 1
71 1 . . . parsed_1a1p 1
72 1 . . . parsed_1a1p 1
73 1 . . . parsed_1a1p 1
74 1 . . . parsed_1a1p 1
75 1 . . . parsed_1a1p 1
76 1 . . . parsed_1a1p 1
77 1 . . . parsed_1a1p 1
78 1 . . . parsed_1a1p 1
79 1 . . . parsed_1a1p 1
80 1 . . . parsed_1a1p 1
81 1 . . . parsed_1a1p 1
82 1 . . . parsed_1a1p 1
83 1 . . . parsed_1a1p 1
84 1 . . . parsed_1a1p 1
85 1 . . . parsed_1a1p 1
86 1 . . . parsed_1a1p 1
87 1 . . . parsed_1a1p 1
88 1 . . . parsed_1a1p 1
89 1 . . . parsed_1a1p 1
90 1 . . . parsed_1a1p 1
91 1 . . . parsed_1a1p 1
92 1 . . . parsed_1a1p 1
93 1 . . . parsed_1a1p 1
94 1 . . . parsed_1a1p 1
95 1 . . . parsed_1a1p 1
96 1 . . . parsed_1a1p 1
97 1 . . . parsed_1a1p 1
98 1 . . . parsed_1a1p 1
99 1 . . . parsed_1a1p 1
100 1 . . . parsed_1a1p 1
101 1 . . . parsed_1a1p 1
102 1 . . . parsed_1a1p 1
103 1 . . . parsed_1a1p 1
104 1 . . . parsed_1a1p 1
105 1 . . . parsed_1a1p 1
106 1 . . . parsed_1a1p 1
107 1 . . . parsed_1a1p 1
108 1 . . . parsed_1a1p 1
109 1 . . . parsed_1a1p 1
110 1 . . . parsed_1a1p 1
111 1 . . . parsed_1a1p 1
112 1 . . . parsed_1a1p 1
113 1 . . . parsed_1a1p 1
114 1 . . . parsed_1a1p 1
115 1 . . . parsed_1a1p 1
116 1 . . . parsed_1a1p 1
117 1 . . . parsed_1a1p 1
118 1 . . . parsed_1a1p 1
119 1 . . . parsed_1a1p 1
120 1 . . . parsed_1a1p 1
121 1 . . . parsed_1a1p 1
122 1 . . . parsed_1a1p 1
123 1 . . . parsed_1a1p 1
124 1 . . . parsed_1a1p 1
125 1 . . . parsed_1a1p 1
126 1 . . . parsed_1a1p 1
127 1 . . . parsed_1a1p 1
128 1 . . . parsed_1a1p 1
129 1 . . . parsed_1a1p 1
130 1 . . . parsed_1a1p 1
131 1 . . . parsed_1a1p 1
132 1 . . . parsed_1a1p 1
133 1 . . . parsed_1a1p 1
134 1 . . . parsed_1a1p 1
135 1 . . . parsed_1a1p 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 . . . . . . . . . 7 . HE1 parsed_1a1p 1
1 1 2 . . . . . . . . . 7 . HD1 parsed_1a1p 1
2 1 1 . . . . . . . . . 7 . HE1 parsed_1a1p 1
2 1 2 . . . . . . . . . 7 . HZ2 parsed_1a1p 1
3 1 1 . . . . . . . . . 2 . HN parsed_1a1p 1
3 1 2 . . . . . . . . . 1 . HA parsed_1a1p 1
4 1 1 . . . . . . . . . 2 . HN parsed_1a1p 1
4 1 2 . . . . . . . . . 2 . HB# parsed_1a1p 1
5 1 1 . . . . . . . . . 2 . HN parsed_1a1p 1
5 1 2 . . . . . . . . . 1 . HB parsed_1a1p 1
6 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1
6 1 2 . . . . . . . . . 4 . HN parsed_1a1p 1
7 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1
7 1 2 . . . . . . . . . 2 . HB# parsed_1a1p 1
8 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1
8 1 2 . . . . . . . . . 2 . HA parsed_1a1p 1
9 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1
9 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
10 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1
10 1 2 . . . . . . . . . 3 . HA parsed_1a1p 1
11 1 1 . . . . . . . . . 3 . HN parsed_1a1p 1
11 1 2 . . . . . . . . . 3 . HB parsed_1a1p 1
12 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
12 1 2 . . . . . . . . . 11 . HN parsed_1a1p 1
13 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
13 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1
14 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
14 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1
15 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
15 1 2 . . . . . . . . . 12 . HB2 parsed_1a1p 1
16 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
16 1 2 . . . . . . . . . 12 . HB1 parsed_1a1p 1
17 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
17 1 2 . . . . . . . . . 11 . HA parsed_1a1p 1
18 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
18 1 2 . . . . . . . . . 12 . HA parsed_1a1p 1
19 1 1 . . . . . . . . . 10 . HN parsed_1a1p 1
19 1 2 . . . . . . . . . 10 . HB# parsed_1a1p 1
20 1 1 . . . . . . . . . 10 . HN parsed_1a1p 1
20 1 2 . . . . . . . . . 10 . HA parsed_1a1p 1
21 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1
21 1 2 . . . . . . . . . 10 . HA parsed_1a1p 1
22 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1
22 1 2 . . . . . . . . . 10 . HB# parsed_1a1p 1
23 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1
23 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1
24 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1
24 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1
25 1 1 . . . . . . . . . 11 . HN parsed_1a1p 1
25 1 2 . . . . . . . . . 11 . HA parsed_1a1p 1
26 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1
26 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1
27 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
27 1 2 . . . . . . . . . 4 . HA parsed_1a1p 1
28 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1
28 1 2 . . . . . . . . . 9 . HN parsed_1a1p 1
29 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
29 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
30 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
30 1 2 . . . . . . . . . 5 . HA parsed_1a1p 1
31 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1
31 1 2 . . . . . . . . . 7 . HN parsed_1a1p 1
32 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
32 1 2 . . . . . . . . . 6 . HN parsed_1a1p 1
33 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
33 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
34 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
34 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
35 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
35 1 2 . . . . . . . . . 4 . HB parsed_1a1p 1
36 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1
36 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1
37 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1
37 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1
38 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1
38 1 2 . . . . . . . . . 13 . HB parsed_1a1p 1
39 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1
39 1 2 . . . . . . . . . 12 . HB1 parsed_1a1p 1
40 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1
40 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1
41 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1
41 1 2 . . . . . . . . . 13 . HA parsed_1a1p 1
42 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1
42 1 2 . . . . . . . . . 12 . HA parsed_1a1p 1
43 1 1 . . . . . . . . . 9 . HE1 parsed_1a1p 1
43 1 2 . . . . . . . . . 9 . HD2 parsed_1a1p 1
44 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1
44 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
45 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1
45 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
46 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1
46 1 2 . . . . . . . . . 4 . HA parsed_1a1p 1
47 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1
47 1 2 . . . . . . . . . 4 . HB parsed_1a1p 1
48 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1
48 1 2 . . . . . . . . . 3 . HB parsed_1a1p 1
49 1 1 . . . . . . . . . 4 . HN parsed_1a1p 1
49 1 2 . . . . . . . . . 3 . HA parsed_1a1p 1
50 1 1 . . . . . . . . . 10 . HE1 parsed_1a1p 1
50 1 2 . . . . . . . . . 10 . HD2 parsed_1a1p 1
51 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
51 1 2 . . . . . . . . . 6 . HA parsed_1a1p 1
52 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
52 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1
53 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
53 1 2 . . . . . . . . . 7 . HN parsed_1a1p 1
54 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
54 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1
55 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
55 1 2 . . . . . . . . . 5 . HA parsed_1a1p 1
56 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
56 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
57 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1
57 1 2 . . . . . . . . . 9 . HA parsed_1a1p 1
58 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1
58 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1
59 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1
59 1 2 . . . . . . . . . 9 . HB2 parsed_1a1p 1
60 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1
60 1 2 . . . . . . . . . 9 . HB1 parsed_1a1p 1
61 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
61 1 2 . . . . . . . . . 7 . HE3 parsed_1a1p 1
62 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
62 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1
63 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
63 1 2 . . . . . . . . . 6 . HA parsed_1a1p 1
64 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
64 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1
65 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
65 1 2 . . . . . . . . . 7 . HD1 parsed_1a1p 1
66 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
66 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1
67 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
67 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1
68 1 1 . . . . . . . . . 7 . HN parsed_1a1p 1
68 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
69 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1
69 1 2 . . . . . . . . . 13 . HA parsed_1a1p 1
70 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1
70 1 2 . . . . . . . . . 13 . HB parsed_1a1p 1
71 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1
71 1 2 . . . . . . . . . 13 . H2 parsed_1a1p 1
72 1 1 . . . . . . . . . 13 . H1 parsed_1a1p 1
72 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1
73 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1
73 1 2 . . . . . . . . . 7 . HZ3 parsed_1a1p 1
74 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1
74 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1
75 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1
75 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1
76 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1
76 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1
77 1 1 . . . . . . . . . 7 . HZ2 parsed_1a1p 1
77 1 2 . . . . . . . . . 7 . HH2 parsed_1a1p 1
78 1 1 . . . . . . . . . 5 . HE2# parsed_1a1p 1
78 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
79 1 1 . . . . . . . . . 5 . HE2# parsed_1a1p 1
79 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1
80 1 1 . . . . . . . . . 5 . HE21 parsed_1a1p 1
80 1 2 . . . . . . . . . 5 . HE22 parsed_1a1p 1
81 1 1 . . . . . . . . . 13 . H2 parsed_1a1p 1
81 1 2 . . . . . . . . . 13 . HA parsed_1a1p 1
82 1 1 . . . . . . . . . 13 . H2 parsed_1a1p 1
82 1 2 . . . . . . . . . 13 . HB parsed_1a1p 1
83 1 1 . . . . . . . . . 13 . H2 parsed_1a1p 1
83 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1
84 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1
84 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1
85 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1
85 1 2 . . . . . . . . . 7 . HA parsed_1a1p 1
86 1 1 . . . . . . . . . 11 . HE parsed_1a1p 1
86 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1
87 1 1 . . . . . . . . . 11 . HE parsed_1a1p 1
87 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1
88 1 1 . . . . . . . . . 11 . HE parsed_1a1p 1
88 1 2 . . . . . . . . . 11 . HD# parsed_1a1p 1
89 1 1 . . . . . . . . . 7 . HH2 parsed_1a1p 1
89 1 2 . . . . . . . . . 7 . HZ3 parsed_1a1p 1
90 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1
90 1 2 . . . . . . . . . 9 . HB2 parsed_1a1p 1
91 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1
91 1 2 . . . . . . . . . 9 . HB1 parsed_1a1p 1
92 1 1 . . . . . . . . . 10 . HD2 parsed_1a1p 1
92 1 2 . . . . . . . . . 10 . HB# parsed_1a1p 1
93 1 1 . . . . . . . . . 11 . HH11 parsed_1a1p 1
93 1 2 . . . . . . . . . 11 . HH12 parsed_1a1p 1
94 1 1 . . . . . . . . . 7 . HA parsed_1a1p 1
94 1 2 . . . . . . . . . 7 . HB# parsed_1a1p 1
95 1 1 . . . . . . . . . 6 . HA parsed_1a1p 1
95 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1
96 1 1 . . . . . . . . . 11 . HA parsed_1a1p 1
96 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1
97 1 1 . . . . . . . . . 11 . HA parsed_1a1p 1
97 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1
98 1 1 . . . . . . . . . 13 . HA parsed_1a1p 1
98 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1
99 1 1 . . . . . . . . . 5 . HA parsed_1a1p 1
99 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
100 1 1 . . . . . . . . . 5 . HA parsed_1a1p 1
100 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1
101 1 1 . . . . . . . . . 13 . HB parsed_1a1p 1
101 1 2 . . . . . . . . . 13 . HG2# parsed_1a1p 1
102 1 1 . . . . . . . . . 3 . HA parsed_1a1p 1
102 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
103 1 1 . . . . . . . . . 3 . HA parsed_1a1p 1
103 1 2 . . . . . . . . . 3 . HB parsed_1a1p 1
104 1 1 . . . . . . . . . 3 . HA parsed_1a1p 1
104 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
105 1 1 . . . . . . . . . 1 . HA parsed_1a1p 1
105 1 2 . . . . . . . . . 1 . HD1# parsed_1a1p 1
106 1 1 . . . . . . . . . 1 . HA parsed_1a1p 1
106 1 2 . . . . . . . . . 1 . HG2# parsed_1a1p 1
107 1 1 . . . . . . . . . 1 . HA parsed_1a1p 1
107 1 2 . . . . . . . . . 1 . HB parsed_1a1p 1
108 1 1 . . . . . . . . . 1 . HB parsed_1a1p 1
108 1 2 . . . . . . . . . 1 . HG1# parsed_1a1p 1
109 1 1 . . . . . . . . . 1 . HB parsed_1a1p 1
109 1 2 . . . . . . . . . 1 . HG2# parsed_1a1p 1
110 1 1 . . . . . . . . . 4 . HA parsed_1a1p 1
110 1 2 . . . . . . . . . 4 . HB parsed_1a1p 1
111 1 1 . . . . . . . . . 4 . HA parsed_1a1p 1
111 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
112 1 1 . . . . . . . . . 3 . HB parsed_1a1p 1
112 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
113 1 1 . . . . . . . . . 4 . HB parsed_1a1p 1
113 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
114 1 1 . . . . . . . . . 9 . HB1 parsed_1a1p 1
114 1 2 . . . . . . . . . 9 . HB2 parsed_1a1p 1
115 1 1 . . . . . . . . . 12 . HB1 parsed_1a1p 1
115 1 2 . . . . . . . . . 12 . HB2 parsed_1a1p 1
116 1 1 . . . . . . . . . 11 . HD# parsed_1a1p 1
116 1 2 . . . . . . . . . 11 . HB# parsed_1a1p 1
117 1 1 . . . . . . . . . 11 . HD# parsed_1a1p 1
117 1 2 . . . . . . . . . 11 . HG# parsed_1a1p 1
118 1 1 . . . . . . . . . 5 . HN parsed_1a1p 1
118 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
119 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
119 1 2 . . . . . . . . . 3 . HG** parsed_1a1p 1
120 1 1 . . . . . . . . . 6 . HN parsed_1a1p 1
120 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
121 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1
121 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1
122 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1
122 1 2 . . . . . . . . . 6 . HN parsed_1a1p 1
123 1 1 . . . . . . . . . 7 . HD1 parsed_1a1p 1
123 1 2 . . . . . . . . . 8 . HA# parsed_1a1p 1
124 1 1 . . . . . . . . . 7 . HE1 parsed_1a1p 1
124 1 2 . . . . . . . . . 5 . HB# parsed_1a1p 1
125 1 1 . . . . . . . . . 7 . HE1 parsed_1a1p 1
125 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
126 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1
126 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1
127 1 1 . . . . . . . . . 7 . HE3 parsed_1a1p 1
127 1 2 . . . . . . . . . 6 . HN parsed_1a1p 1
128 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1
128 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 1
129 1 1 . . . . . . . . . 9 . HD2 parsed_1a1p 1
129 1 2 . . . . . . . . . 5 . HG# parsed_1a1p 1
130 1 1 . . . . . . . . . 10 . HD2 parsed_1a1p 1
130 1 2 . . . . . . . . . 4 . HG** parsed_1a1p 1
131 1 1 . . . . . . . . . 9 . HN parsed_1a1p 1
131 1 2 . . . . . . . . . 10 . HN parsed_1a1p 1
132 1 1 . . . . . . . . . 10 . HN parsed_1a1p 1
132 1 2 . . . . . . . . . 11 . HN parsed_1a1p 1
133 1 1 . . . . . . . . . 12 . HN parsed_1a1p 1
133 1 2 . . . . . . . . . 13 . HN parsed_1a1p 1
134 1 1 . . . . . . . . . 13 . HN parsed_1a1p 1
134 1 2 . . . . . . . . . 13 . H1 parsed_1a1p 1
135 1 1 . . . . . . . . . 8 . HN parsed_1a1p 1
135 1 2 . . . . . . . . . 6 . HB# parsed_1a1p 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 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
2 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
3 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
4 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
5 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
6 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
7 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
8 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
9 1 . . . . . 2.9 1.8 3.4 parsed_1a1p 1
10 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
11 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
12 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
13 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
14 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
15 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
16 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
17 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
18 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
19 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
20 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
21 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
22 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
23 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
24 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
25 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
26 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
27 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
28 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
29 1 . . . . . 3.5 1.8 4.0 parsed_1a1p 1
30 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
31 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
32 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
33 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
34 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
35 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
36 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
37 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
38 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
39 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
40 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
41 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
42 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
43 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
44 1 . . . . . 3.5 1.8 4.0 parsed_1a1p 1
45 1 . . . . . 3.5 1.8 4.0 parsed_1a1p 1
46 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
47 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
48 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
49 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
50 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
51 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
52 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
53 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
54 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
55 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
56 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
57 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
58 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
59 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
60 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
61 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
62 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
63 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
64 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
65 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
66 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
67 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
68 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
69 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
70 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
71 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
72 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
73 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
74 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
75 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
76 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
77 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
78 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
79 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
80 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
81 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
82 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
83 1 . . . . . 6.0 3.0 6.5 parsed_1a1p 1
84 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
85 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
86 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
87 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
88 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
89 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
90 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
91 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
92 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
93 1 . . . . . 2.9 1.8 2.9 parsed_1a1p 1
94 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
95 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
96 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
97 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
98 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
99 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
100 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
101 1 . . . . . 3.3 1.8 3.8 parsed_1a1p 1
102 1 . . . . . 2.7 1.8 3.2 parsed_1a1p 1
103 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
104 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
105 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
106 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
107 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
108 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
109 1 . . . . . 3.3 1.8 3.8 parsed_1a1p 1
110 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
111 1 . . . . . 3.3 1.8 3.8 parsed_1a1p 1
112 1 . . . . . 2.7 1.8 3.2 parsed_1a1p 1
113 1 . . . . . 2.7 1.8 3.2 parsed_1a1p 1
114 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
115 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
116 1 . . . . . 3.3 1.8 3.3 parsed_1a1p 1
117 1 . . . . . 2.7 1.8 2.7 parsed_1a1p 1
118 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
119 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
120 1 . . . . . 5.0 1.8 5.5 parsed_1a1p 1
121 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
122 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
123 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
124 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
125 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
126 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
127 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
128 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
129 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 1
130 1 . . . . . 6.0 3.0 6.5 parsed_1a1p 1
131 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
132 1 . . . . . 3.5 1.8 3.5 parsed_1a1p 1
133 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
134 1 . . . . . 5.0 1.8 5.0 parsed_1a1p 1
135 1 . . . . . 6.0 3.0 6.0 parsed_1a1p 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
;
This file contains restraint lists for NOEs, dihedral angles and 3JNH-Ha coupling constants.
NOE restraints of Compstatin
c3bp_noe.tbl
;
1 1 4 15 parsed_1a1p 1
2
;
assign ( resid 12 and name HN ) ( resid 11 and name HB2 ) 5.0 3.2 0
assign ( resid 12 and name HN ) ( resid 11 and name HB1 ) 5.0 3.2 0
;
21 1 22 70 parsed_1a1p 1
3
;
assign ( resid 11 and name HN ) ( resid 11 and name HB1 ) 3.5 1.7 0
assign ( resid 11 and name HN ) ( resid 11 and name HB2 ) 2.9 1.1 0
;
35 1 36 70 parsed_1a1p 1
4
;
assign ( resid 5 and name HN ) ( resid 4 and name HG1# ) 5.0 3.2 0.5
assign ( resid 5 and name HN ) ( resid 4 and name HG2# ) 3.5 1.7 0.5
;
44 1 45 71 parsed_1a1p 1
5
;
assign ( resid 4 and name HN ) ( resid 4 and name HG1# ) 3.5 1.7 0.5
assign ( resid 4 and name HN ) ( resid 4 and name HG2# ) 5.0 3.2 0.5
;
65 1 66 71 parsed_1a1p 1
6
;
assign ( resid 5 and name HE21 ) ( resid 5 and name HB# ) 6.0 3.0 0
assign ( resid 5 and name HE21 ) ( resid 5 and name HG# ) 3.5 1.7 0
assign ( resid 5 and name HE22 ) ( resid 5 and name HG# ) 5.0 3.2 0
;
109 1 111 70 parsed_1a1p 1
7 "assign ( resid 11 and name HE ) ( resid 11 and name HB2 ) 5.0 3.2 0" 123 1 123 70 parsed_1a1p 1
8
;
assign ( resid 11 and name HA ) ( resid 11 and name HB1 ) 3.3 1.5 0
assign ( resid 11 and name HA ) ( resid 11 and name HB2 ) 3.3 1.5 0
;
141 1 142 70 parsed_1a1p 1
9 "assign ( resid 3 and name HA ) ( resid 4 and name HG2# ) 5.0 3.2 0.5" 155 1 155 71 parsed_1a1p 1
10
;
assign ( resid 1 and name HB ) ( resid 1 and name HG11 ) 5.0 3.2 0
assign ( resid 1 and name HB ) ( resid 1 and name HG12 ) 5.0 3.2 0
;
162 1 163 69 parsed_1a1p 1
11
;
assign ( resid 4 and name HA ) ( resid 4 and name HG2# ) 3.3 1.5 0.5
assign ( resid 4 and name HA ) ( resid 4 and name HG1# ) 3.3 1.5 0.5
;
168 1 169 71 parsed_1a1p 1
12
;
assign ( resid 4 and name HB ) ( resid 4 and name HG1# ) 2.7 0.9 0.5
assign ( resid 4 and name HB ) ( resid 4 and name HG2# ) 2.7 0.9 0.5
;
173 1 174 71 parsed_1a1p 1
13
;
assign ( resid 11 and name HD# ) ( resid 11 and name HB2 ) 3.3 1.5 0
assign ( resid 11 and name HD# ) ( resid 11 and name HB1 ) 3.3 1.5 0
;
181 1 182 71 parsed_1a1p 1
14
;
assign ( resid 5 and name HE21 ) ( resid 3 and name HG** ) 6.0 3.0 0.5
assign ( resid 5 and name HE2# ) ( resid 3 and name HG** ) 6.0 3.0 0.5
assign ( resid 5 and name HE21 ) ( resid 4 and name HG** ) 6.0 3.0 0.5
assign ( resid 5 and name HE2# ) ( resid 4 and name HG** ) 6.0 3.0 0.5
;
187 1 190 73 parsed_1a1p 1
15 "assign ( resid 6 and name HN ) ( resid 4 and name HG2# ) 5.0 3.2 0.5" 192 1 192 71 parsed_1a1p 1
16
;
assign ( resid 10 and name HD2 ) ( resid 4 and name HG1# ) 6.0 3.0 0.5
assign ( resid 10 and name HD2 ) ( resid 4 and name HG2# ) 6.0 3.0 0.5
;
206 1 207 73 parsed_1a1p 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1a1p
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "disulfide bond"
_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_1a1p 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 2 . SG parsed_1a1p 2
1 1 2 . . . . . . . . . 12 . SG parsed_1a1p 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.02 1.92 2.12 parsed_1a1p 2
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1a1p
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_1a1p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1a1p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_1a1p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_1a1p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_1a1p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1a1p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170 -70 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1a1p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_1a1p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90 -30 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_1a1p 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
Dihedral angle restraints of Compstatin
c3bp_dihe.tbl
Phi-angles
c2
;
1 1 7 5 parsed_1a1p 1
2 v3 11 1 11 5 parsed_1a1p 1
3 w7 15 1 15 5 parsed_1a1p 1
4 h9 19 1 19 5 parsed_1a1p 1
5 h10 23 1 23 6 parsed_1a1p 1
6 c12 27 1 27 7 parsed_1a1p 1
7 t13 31 1 31 6 parsed_1a1p 1
8
;
Chi-angles
h9
;
36 1 38 5 parsed_1a1p 1
9 c12 42 1 42 6 parsed_1a1p 1
stop_
save_
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