NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
29977 |
1bnb   |
cing | recoord | 2-parsed | STAR | distance | NOE | simple | 126 |
data_1bnb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bnb
_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_1bnb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bnb
_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 1bnb "Master copy" parsed_1bnb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bnb
_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 1bnb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bnb 1
1 1bnb.mr . . XPLOR/CNS 2 distance NOE simple 126 parsed_1bnb 1
1 1bnb.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1bnb 1
1 1bnb.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1bnb 1
1 1bnb.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bnb 1
1 1bnb.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bnb 1
1 1bnb.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1bnb 1
1 1bnb.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bnb 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bnb
_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_1bnb 1
2 1 . . . parsed_1bnb 1
3 1 . . . parsed_1bnb 1
4 1 . . . parsed_1bnb 1
5 1 . . . parsed_1bnb 1
6 1 . . . parsed_1bnb 1
7 1 . . . parsed_1bnb 1
8 1 . . . parsed_1bnb 1
9 1 . . . parsed_1bnb 1
10 1 . . . parsed_1bnb 1
11 1 . . . parsed_1bnb 1
12 1 . . . parsed_1bnb 1
13 1 . . . parsed_1bnb 1
14 1 . . . parsed_1bnb 1
15 1 . . . parsed_1bnb 1
16 1 . . . parsed_1bnb 1
17 1 . . . parsed_1bnb 1
18 1 . . . parsed_1bnb 1
19 1 . . . parsed_1bnb 1
20 1 . . . parsed_1bnb 1
21 1 . . . parsed_1bnb 1
22 1 . . . parsed_1bnb 1
23 1 . . . parsed_1bnb 1
24 1 . . . parsed_1bnb 1
25 1 . . . parsed_1bnb 1
26 1 . . . parsed_1bnb 1
27 1 . . . parsed_1bnb 1
28 1 . . . parsed_1bnb 1
29 1 . . . parsed_1bnb 1
30 1 . . . parsed_1bnb 1
31 1 . . . parsed_1bnb 1
32 1 . . . parsed_1bnb 1
33 1 . . . parsed_1bnb 1
34 1 . . . parsed_1bnb 1
35 1 . . . parsed_1bnb 1
36 1 . . . parsed_1bnb 1
37 1 . . . parsed_1bnb 1
38 1 . . . parsed_1bnb 1
39 1 . . . parsed_1bnb 1
40 1 . . . parsed_1bnb 1
41 1 . . . parsed_1bnb 1
42 1 . . . parsed_1bnb 1
43 1 . . . parsed_1bnb 1
44 1 . . . parsed_1bnb 1
45 1 . . . parsed_1bnb 1
46 1 . . . parsed_1bnb 1
47 1 . . . parsed_1bnb 1
48 1 . . . parsed_1bnb 1
49 1 . . . parsed_1bnb 1
50 1 . . . parsed_1bnb 1
51 1 . . . parsed_1bnb 1
52 1 . . . parsed_1bnb 1
53 1 . . . parsed_1bnb 1
54 1 . . . parsed_1bnb 1
55 1 . . . parsed_1bnb 1
56 1 . . . parsed_1bnb 1
57 1 . . . parsed_1bnb 1
58 1 . . . parsed_1bnb 1
59 1 . . . parsed_1bnb 1
60 1 . . . parsed_1bnb 1
61 1 . . . parsed_1bnb 1
62 1 . . . parsed_1bnb 1
63 1 . . . parsed_1bnb 1
64 1 . . . parsed_1bnb 1
65 1 . . . parsed_1bnb 1
66 1 . . . parsed_1bnb 1
67 1 . . . parsed_1bnb 1
68 1 . . . parsed_1bnb 1
69 1 . . . parsed_1bnb 1
70 1 . . . parsed_1bnb 1
71 1 . . . parsed_1bnb 1
72 1 . . . parsed_1bnb 1
73 1 . . . parsed_1bnb 1
74 1 . . . parsed_1bnb 1
75 1 . . . parsed_1bnb 1
76 1 . . . parsed_1bnb 1
77 1 . . . parsed_1bnb 1
78 1 . . . parsed_1bnb 1
79 1 . . . parsed_1bnb 1
80 1 . . . parsed_1bnb 1
81 1 . . . parsed_1bnb 1
82 1 . . . parsed_1bnb 1
83 1 . . . parsed_1bnb 1
84 1 . . . parsed_1bnb 1
85 1 . . . parsed_1bnb 1
86 1 . . . parsed_1bnb 1
87 1 . . . parsed_1bnb 1
88 1 . . . parsed_1bnb 1
89 1 . . . parsed_1bnb 1
90 1 . . . parsed_1bnb 1
91 1 . . . parsed_1bnb 1
92 1 . . . parsed_1bnb 1
93 1 . . . parsed_1bnb 1
94 1 . . . parsed_1bnb 1
95 1 . . . parsed_1bnb 1
96 1 . . . parsed_1bnb 1
97 1 . . . parsed_1bnb 1
98 1 . . . parsed_1bnb 1
99 1 . . . parsed_1bnb 1
100 1 . . . parsed_1bnb 1
101 1 . . . parsed_1bnb 1
102 1 . . . parsed_1bnb 1
103 1 . . . parsed_1bnb 1
104 1 . . . parsed_1bnb 1
105 1 . . . parsed_1bnb 1
106 1 . . . parsed_1bnb 1
107 1 . . . parsed_1bnb 1
108 1 . . . parsed_1bnb 1
109 1 . . . parsed_1bnb 1
110 1 . . . parsed_1bnb 1
111 1 . . . parsed_1bnb 1
112 1 . . . parsed_1bnb 1
113 1 . . . parsed_1bnb 1
114 1 . . . parsed_1bnb 1
115 1 . . . parsed_1bnb 1
116 1 . . . parsed_1bnb 1
117 1 . . . parsed_1bnb 1
118 1 . . . parsed_1bnb 1
119 1 . . . parsed_1bnb 1
120 1 . . . parsed_1bnb 1
121 1 . . . parsed_1bnb 1
122 1 . . . parsed_1bnb 1
123 1 . . . parsed_1bnb 1
124 1 . . . parsed_1bnb 1
125 1 . . . parsed_1bnb 1
126 1 . . . parsed_1bnb 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 1 . HA parsed_1bnb 1
1 1 2 . . . . . . . . . 2 . HD* parsed_1bnb 1
2 1 1 . . . . . . . . . 3 . HN parsed_1bnb 1
2 1 2 . . . . . . . . . 2 . HA parsed_1bnb 1
3 1 1 . . . . . . . . . 4 . HN parsed_1bnb 1
3 1 2 . . . . . . . . . 3 . HA parsed_1bnb 1
4 1 1 . . . . . . . . . 5 . HN parsed_1bnb 1
4 1 2 . . . . . . . . . 4 . HA parsed_1bnb 1
5 1 1 . . . . . . . . . 5 . HN parsed_1bnb 1
5 1 2 . . . . . . . . . 4 . HB* parsed_1bnb 1
6 1 1 . . . . . . . . . 6 . HN parsed_1bnb 1
6 1 2 . . . . . . . . . 5 . HB* parsed_1bnb 1
7 1 1 . . . . . . . . . 6 . HN parsed_1bnb 1
7 1 2 . . . . . . . . . 7 . HN parsed_1bnb 1
8 1 1 . . . . . . . . . 7 . HN parsed_1bnb 1
8 1 2 . . . . . . . . . 6 . HA* parsed_1bnb 1
9 1 1 . . . . . . . . . 7 . HN parsed_1bnb 1
9 1 2 . . . . . . . . . 8 . HN parsed_1bnb 1
10 1 1 . . . . . . . . . 8 . HN parsed_1bnb 1
10 1 2 . . . . . . . . . 7 . HA parsed_1bnb 1
11 1 1 . . . . . . . . . 8 . HN parsed_1bnb 1
11 1 2 . . . . . . . . . 7 . HB* parsed_1bnb 1
12 1 1 . . . . . . . . . 8 . HN parsed_1bnb 1
12 1 2 . . . . . . . . . 7 . HD* parsed_1bnb 1
13 1 1 . . . . . . . . . 8 . HB1 parsed_1bnb 1
13 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
14 1 1 . . . . . . . . . 8 . HB2 parsed_1bnb 1
14 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
15 1 1 . . . . . . . . . 9 . HN parsed_1bnb 1
15 1 2 . . . . . . . . . 6 . HA* parsed_1bnb 1
16 1 1 . . . . . . . . . 9 . HN parsed_1bnb 1
16 1 2 . . . . . . . . . 8 . HN parsed_1bnb 1
17 1 1 . . . . . . . . . 10 . HN parsed_1bnb 1
17 1 2 . . . . . . . . . 9 . HA* parsed_1bnb 1
18 1 1 . . . . . . . . . 10 . HN parsed_1bnb 1
18 1 2 . . . . . . . . . 6 . HA* parsed_1bnb 1
19 1 1 . . . . . . . . . 10 . HN parsed_1bnb 1
19 1 2 . . . . . . . . . 9 . HN parsed_1bnb 1
20 1 1 . . . . . . . . . 10 . HA* parsed_1bnb 1
20 1 2 . . . . . . . . . 36 . HD* parsed_1bnb 1
21 1 1 . . . . . . . . . 11 . HN parsed_1bnb 1
21 1 2 . . . . . . . . . 10 . HA* parsed_1bnb 1
22 1 1 . . . . . . . . . 11 . HN parsed_1bnb 1
22 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
23 1 1 . . . . . . . . . 11 . HN parsed_1bnb 1
23 1 2 . . . . . . . . . 34 . HA parsed_1bnb 1
24 1 1 . . . . . . . . . 11 . HA parsed_1bnb 1
24 1 2 . . . . . . . . . 5 . HB* parsed_1bnb 1
25 1 1 . . . . . . . . . 12 . HN parsed_1bnb 1
25 1 2 . . . . . . . . . 11 . HA parsed_1bnb 1
26 1 1 . . . . . . . . . 12 . HN parsed_1bnb 1
26 1 2 . . . . . . . . . 11 . HB parsed_1bnb 1
27 1 1 . . . . . . . . . 12 . HB1 parsed_1bnb 1
27 1 2 . . . . . . . . . 32 . HG1* parsed_1bnb 1
28 1 1 . . . . . . . . . 12 . HA parsed_1bnb 1
28 1 2 . . . . . . . . . 34 . HA parsed_1bnb 1
29 1 1 . . . . . . . . . 12 . HA parsed_1bnb 1
29 1 2 . . . . . . . . . 32 . HG1* parsed_1bnb 1
30 1 1 . . . . . . . . . 13 . HN parsed_1bnb 1
30 1 2 . . . . . . . . . 12 . HA parsed_1bnb 1
31 1 1 . . . . . . . . . 13 . HN parsed_1bnb 1
31 1 2 . . . . . . . . . 12 . HB1 parsed_1bnb 1
32 1 1 . . . . . . . . . 13 . HN parsed_1bnb 1
32 1 2 . . . . . . . . . 33 . HN parsed_1bnb 1
33 1 1 . . . . . . . . . 13 . HA parsed_1bnb 1
33 1 2 . . . . . . . . . 14 . HD* parsed_1bnb 1
34 1 1 . . . . . . . . . 14 . HA parsed_1bnb 1
34 1 2 . . . . . . . . . 32 . HA parsed_1bnb 1
35 1 1 . . . . . . . . . 14 . HA parsed_1bnb 1
35 1 2 . . . . . . . . . 32 . HG2* parsed_1bnb 1
36 1 1 . . . . . . . . . 14 . HA parsed_1bnb 1
36 1 2 . . . . . . . . . 32 . HG1* parsed_1bnb 1
37 1 1 . . . . . . . . . 14 . HD* parsed_1bnb 1
37 1 2 . . . . . . . . . 13 . HG2* parsed_1bnb 1
38 1 1 . . . . . . . . . 15 . HN parsed_1bnb 1
38 1 2 . . . . . . . . . 14 . HA parsed_1bnb 1
39 1 1 . . . . . . . . . 15 . HN parsed_1bnb 1
39 1 2 . . . . . . . . . 14 . HB* parsed_1bnb 1
40 1 1 . . . . . . . . . 15 . HN parsed_1bnb 1
40 1 2 . . . . . . . . . 32 . HA parsed_1bnb 1
41 1 1 . . . . . . . . . 15 . HN parsed_1bnb 1
41 1 2 . . . . . . . . . 32 . HG2* parsed_1bnb 1
42 1 1 . . . . . . . . . 16 . HN parsed_1bnb 1
42 1 2 . . . . . . . . . 15 . HA parsed_1bnb 1
43 1 1 . . . . . . . . . 16 . HN parsed_1bnb 1
43 1 2 . . . . . . . . . 15 . HB* parsed_1bnb 1
44 1 1 . . . . . . . . . 16 . HN parsed_1bnb 1
44 1 2 . . . . . . . . . 15 . HG2* parsed_1bnb 1
45 1 1 . . . . . . . . . 17 . HN parsed_1bnb 1
45 1 2 . . . . . . . . . 16 . HA parsed_1bnb 1
46 1 1 . . . . . . . . . 17 . HN parsed_1bnb 1
46 1 2 . . . . . . . . . 16 . HB* parsed_1bnb 1
47 1 1 . . . . . . . . . 17 . HN parsed_1bnb 1
47 1 2 . . . . . . . . . 16 . HG* parsed_1bnb 1
48 1 1 . . . . . . . . . 17 . HA parsed_1bnb 1
48 1 2 . . . . . . . . . 18 . HD* parsed_1bnb 1
49 1 1 . . . . . . . . . 17 . HA parsed_1bnb 1
49 1 2 . . . . . . . . . 13 . HB* parsed_1bnb 1
50 1 1 . . . . . . . . . 17 . HA parsed_1bnb 1
50 1 2 . . . . . . . . . 13 . HG2* parsed_1bnb 1
51 1 1 . . . . . . . . . 17 . HA parsed_1bnb 1
51 1 2 . . . . . . . . . 13 . HD* parsed_1bnb 1
52 1 1 . . . . . . . . . 18 . HD* parsed_1bnb 1
52 1 2 . . . . . . . . . 13 . HG2* parsed_1bnb 1
53 1 1 . . . . . . . . . 18 . HD* parsed_1bnb 1
53 1 2 . . . . . . . . . 13 . HD* parsed_1bnb 1
54 1 1 . . . . . . . . . 19 . HN parsed_1bnb 1
54 1 2 . . . . . . . . . 18 . HA parsed_1bnb 1
55 1 1 . . . . . . . . . 20 . HA parsed_1bnb 1
55 1 2 . . . . . . . . . 19 . HA parsed_1bnb 1
56 1 1 . . . . . . . . . 20 . HA parsed_1bnb 1
56 1 2 . . . . . . . . . 19 . HG* parsed_1bnb 1
57 1 1 . . . . . . . . . 21 . HN parsed_1bnb 1
57 1 2 . . . . . . . . . 20 . HB* parsed_1bnb 1
58 1 1 . . . . . . . . . 21 . HN parsed_1bnb 1
58 1 2 . . . . . . . . . 19 . HA parsed_1bnb 1
59 1 1 . . . . . . . . . 22 . HN parsed_1bnb 1
59 1 2 . . . . . . . . . 21 . HA parsed_1bnb 1
60 1 1 . . . . . . . . . 22 . HG* parsed_1bnb 1
60 1 2 . . . . . . . . . 24 . HG2* parsed_1bnb 1
61 1 1 . . . . . . . . . 22 . HE parsed_1bnb 1
61 1 2 . . . . . . . . . 38 . HA parsed_1bnb 1
62 1 1 . . . . . . . . . 23 . HN parsed_1bnb 1
62 1 2 . . . . . . . . . 22 . HA parsed_1bnb 1
63 1 1 . . . . . . . . . 23 . HN parsed_1bnb 1
63 1 2 . . . . . . . . . 22 . HB* parsed_1bnb 1
64 1 1 . . . . . . . . . 23 . HN parsed_1bnb 1
64 1 2 . . . . . . . . . 22 . HG* parsed_1bnb 1
65 1 1 . . . . . . . . . 23 . HA parsed_1bnb 1
65 1 2 . . . . . . . . . 24 . HG2* parsed_1bnb 1
66 1 1 . . . . . . . . . 24 . HN parsed_1bnb 1
66 1 2 . . . . . . . . . 23 . HA parsed_1bnb 1
67 1 1 . . . . . . . . . 24 . HN parsed_1bnb 1
67 1 2 . . . . . . . . . 23 . HG* parsed_1bnb 1
68 1 1 . . . . . . . . . 24 . HN parsed_1bnb 1
68 1 2 . . . . . . . . . 23 . HB* parsed_1bnb 1
69 1 1 . . . . . . . . . 24 . HN parsed_1bnb 1
69 1 2 . . . . . . . . . 25 . HN parsed_1bnb 1
70 1 1 . . . . . . . . . 24 . HN parsed_1bnb 1
70 1 2 . . . . . . . . . 35 . HA parsed_1bnb 1
71 1 1 . . . . . . . . . 25 . HN parsed_1bnb 1
71 1 2 . . . . . . . . . 24 . HB* parsed_1bnb 1
72 1 1 . . . . . . . . . 25 . HN parsed_1bnb 1
72 1 2 . . . . . . . . . 24 . HG1* parsed_1bnb 1
73 1 1 . . . . . . . . . 25 . HN parsed_1bnb 1
73 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
74 1 1 . . . . . . . . . 25 . HN parsed_1bnb 1
74 1 2 . . . . . . . . . 23 . HG* parsed_1bnb 1
75 1 1 . . . . . . . . . 25 . HA* parsed_1bnb 1
75 1 2 . . . . . . . . . 34 . HB2 parsed_1bnb 1
76 1 1 . . . . . . . . . 25 . HA* parsed_1bnb 1
76 1 2 . . . . . . . . . 26 . HG2* parsed_1bnb 1
77 1 1 . . . . . . . . . 26 . HN parsed_1bnb 1
77 1 2 . . . . . . . . . 25 . HA* parsed_1bnb 1
78 1 1 . . . . . . . . . 26 . HA parsed_1bnb 1
78 1 2 . . . . . . . . . 33 . HA parsed_1bnb 1
79 1 1 . . . . . . . . . 27 . HN parsed_1bnb 1
79 1 2 . . . . . . . . . 26 . HB parsed_1bnb 1
80 1 1 . . . . . . . . . 27 . HN parsed_1bnb 1
80 1 2 . . . . . . . . . 26 . HG2* parsed_1bnb 1
81 1 1 . . . . . . . . . 27 . HB2 parsed_1bnb 1
81 1 2 . . . . . . . . . 32 . HG1* parsed_1bnb 1
82 1 1 . . . . . . . . . 27 . HB1 parsed_1bnb 1
82 1 2 . . . . . . . . . 12 . HB1 parsed_1bnb 1
83 1 1 . . . . . . . . . 27 . HB2 parsed_1bnb 1
83 1 2 . . . . . . . . . 28 . HD* parsed_1bnb 1
84 1 1 . . . . . . . . . 27 . HB1 parsed_1bnb 1
84 1 2 . . . . . . . . . 28 . HD* parsed_1bnb 1
85 1 1 . . . . . . . . . 28 . HN parsed_1bnb 1
85 1 2 . . . . . . . . . 27 . HA parsed_1bnb 1
86 1 1 . . . . . . . . . 28 . HN parsed_1bnb 1
86 1 2 . . . . . . . . . 27 . HB1 parsed_1bnb 1
87 1 1 . . . . . . . . . 28 . HD* parsed_1bnb 1
87 1 2 . . . . . . . . . 32 . HB parsed_1bnb 1
88 1 1 . . . . . . . . . 28 . HD* parsed_1bnb 1
88 1 2 . . . . . . . . . 32 . HG2* parsed_1bnb 1
89 1 1 . . . . . . . . . 28 . HD* parsed_1bnb 1
89 1 2 . . . . . . . . . 32 . HG1* parsed_1bnb 1
90 1 1 . . . . . . . . . 29 . HN parsed_1bnb 1
90 1 2 . . . . . . . . . 28 . HA parsed_1bnb 1
91 1 1 . . . . . . . . . 30 . HN parsed_1bnb 1
91 1 2 . . . . . . . . . 29 . HA* parsed_1bnb 1
92 1 1 . . . . . . . . . 32 . HA parsed_1bnb 1
92 1 2 . . . . . . . . . 31 . HD* parsed_1bnb 1
93 1 1 . . . . . . . . . 33 . HN parsed_1bnb 1
93 1 2 . . . . . . . . . 32 . HA parsed_1bnb 1
94 1 1 . . . . . . . . . 33 . HN parsed_1bnb 1
94 1 2 . . . . . . . . . 14 . HA parsed_1bnb 1
95 1 1 . . . . . . . . . 33 . HN parsed_1bnb 1
95 1 2 . . . . . . . . . 32 . HG1* parsed_1bnb 1
96 1 1 . . . . . . . . . 33 . HA parsed_1bnb 1
96 1 2 . . . . . . . . . 26 . HG2* parsed_1bnb 1
97 1 1 . . . . . . . . . 34 . HN parsed_1bnb 1
97 1 2 . . . . . . . . . 33 . HA parsed_1bnb 1
98 1 1 . . . . . . . . . 34 . HN parsed_1bnb 1
98 1 2 . . . . . . . . . 33 . HB* parsed_1bnb 1
99 1 1 . . . . . . . . . 34 . HN parsed_1bnb 1
99 1 2 . . . . . . . . . 33 . HG* parsed_1bnb 1
100 1 1 . . . . . . . . . 34 . HN parsed_1bnb 1
100 1 2 . . . . . . . . . 26 . HG2* parsed_1bnb 1
101 1 1 . . . . . . . . . 35 . HN parsed_1bnb 1
101 1 2 . . . . . . . . . 34 . HA parsed_1bnb 1
102 1 1 . . . . . . . . . 35 . HN parsed_1bnb 1
102 1 2 . . . . . . . . . 34 . HB1 parsed_1bnb 1
103 1 1 . . . . . . . . . 35 . HN parsed_1bnb 1
103 1 2 . . . . . . . . . 11 . HN parsed_1bnb 1
104 1 1 . . . . . . . . . 35 . HA parsed_1bnb 1
104 1 2 . . . . . . . . . 23 . HA parsed_1bnb 1
105 1 1 . . . . . . . . . 35 . HA parsed_1bnb 1
105 1 2 . . . . . . . . . 24 . HG2* parsed_1bnb 1
106 1 1 . . . . . . . . . 35 . HA parsed_1bnb 1
106 1 2 . . . . . . . . . 24 . HG1* parsed_1bnb 1
107 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
107 1 2 . . . . . . . . . 35 . HA parsed_1bnb 1
108 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
108 1 2 . . . . . . . . . 35 . HB1 parsed_1bnb 1
109 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
109 1 2 . . . . . . . . . 35 . HB2 parsed_1bnb 1
110 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
110 1 2 . . . . . . . . . 23 . HA parsed_1bnb 1
111 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
111 1 2 . . . . . . . . . 22 . HN parsed_1bnb 1
112 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
112 1 2 . . . . . . . . . 24 . HG2* parsed_1bnb 1
113 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
113 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
114 1 1 . . . . . . . . . 36 . HN parsed_1bnb 1
114 1 2 . . . . . . . . . 21 . HG* parsed_1bnb 1
115 1 1 . . . . . . . . . 36 . HD* parsed_1bnb 1
115 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
116 1 1 . . . . . . . . . 36 . HB* parsed_1bnb 1
116 1 2 . . . . . . . . . 24 . HD* parsed_1bnb 1
117 1 1 . . . . . . . . . 36 . HB* parsed_1bnb 1
117 1 2 . . . . . . . . . 24 . HG2* parsed_1bnb 1
118 1 1 . . . . . . . . . 36 . HE parsed_1bnb 1
118 1 2 . . . . . . . . . 24 . HG2* parsed_1bnb 1
119 1 1 . . . . . . . . . 37 . HN parsed_1bnb 1
119 1 2 . . . . . . . . . 36 . HA parsed_1bnb 1
120 1 1 . . . . . . . . . 37 . HN parsed_1bnb 1
120 1 2 . . . . . . . . . 36 . HB* parsed_1bnb 1
121 1 1 . . . . . . . . . 37 . HN parsed_1bnb 1
121 1 2 . . . . . . . . . 36 . HG* parsed_1bnb 1
122 1 1 . . . . . . . . . 37 . HN parsed_1bnb 1
122 1 2 . . . . . . . . . 38 . HN parsed_1bnb 1
123 1 1 . . . . . . . . . 38 . HN parsed_1bnb 1
123 1 2 . . . . . . . . . 36 . HB* parsed_1bnb 1
124 1 1 . . . . . . . . . 38 . HN parsed_1bnb 1
124 1 2 . . . . . . . . . 36 . HG* parsed_1bnb 1
125 1 1 . . . . . . . . . 38 . HN parsed_1bnb 1
125 1 2 . . . . . . . . . 36 . HG* parsed_1bnb 1
126 1 1 . . . . . . . . . 38 . HZ3 parsed_1bnb 1
126 1 2 . . . . . . . . . 36 . HG* parsed_1bnb 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 . . . . . 2.51 1.80 2.76 parsed_1bnb 1
2 1 . . . . . 2.40 1.80 2.64 parsed_1bnb 1
3 1 . . . . . 2.69 1.80 2.96 parsed_1bnb 1
4 1 . . . . . 2.42 1.80 2.66 parsed_1bnb 1
5 1 . . . . . 3.22 1.80 3.54 parsed_1bnb 1
6 1 . . . . . 2.92 1.80 3.21 parsed_1bnb 1
7 1 . . . . . 3.24 1.80 3.56 parsed_1bnb 1
8 1 . . . . . 2.76 1.80 3.04 parsed_1bnb 1
9 1 . . . . . 2.60 1.80 2.86 parsed_1bnb 1
10 1 . . . . . 3.22 1.80 3.54 parsed_1bnb 1
11 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
12 1 . . . . . 3.44 1.80 3.78 parsed_1bnb 1
13 1 . . . . . 2.58 1.80 3.10 parsed_1bnb 1
14 1 . . . . . 2.54 1.80 3.04 parsed_1bnb 1
15 1 . . . . . 3.23 1.80 3.55 parsed_1bnb 1
16 1 . . . . . 2.38 1.80 2.62 parsed_1bnb 1
17 1 . . . . . 2.89 1.80 3.18 parsed_1bnb 1
18 1 . . . . . 3.07 1.80 3.38 parsed_1bnb 1
19 1 . . . . . 2.34 1.80 2.57 parsed_1bnb 1
20 1 . . . . . 2.75 1.80 3.03 parsed_1bnb 1
21 1 . . . . . 2.68 1.80 2.95 parsed_1bnb 1
22 1 . . . . . 3.02 1.80 3.62 parsed_1bnb 1
23 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
24 1 . . . . . 2.54 1.80 2.79 parsed_1bnb 1
25 1 . . . . . 2.17 1.83 2.39 parsed_1bnb 1
26 1 . . . . . 2.74 1.80 3.01 parsed_1bnb 1
27 1 . . . . . 2.32 1.80 2.78 parsed_1bnb 1
28 1 . . . . . 2.45 1.80 2.69 parsed_1bnb 1
29 1 . . . . . 2.89 1.80 3.47 parsed_1bnb 1
30 1 . . . . . 2.16 1.80 2.38 parsed_1bnb 1
31 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
32 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
33 1 . . . . . 2.23 1.80 2.45 parsed_1bnb 1
34 1 . . . . . 2.25 1.80 2.48 parsed_1bnb 1
35 1 . . . . . 2.57 1.80 3.09 parsed_1bnb 1
36 1 . . . . . 2.58 1.80 3.10 parsed_1bnb 1
37 1 . . . . . 2.53 1.80 3.03 parsed_1bnb 1
38 1 . . . . . 2.20 1.80 2.42 parsed_1bnb 1
39 1 . . . . . 3.87 1.80 4.26 parsed_1bnb 1
40 1 . . . . . 2.77 1.80 3.05 parsed_1bnb 1
41 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
42 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
43 1 . . . . . 2.49 1.80 2.74 parsed_1bnb 1
44 1 . . . . . 3.04 1.80 3.64 parsed_1bnb 1
45 1 . . . . . 2.21 1.80 2.43 parsed_1bnb 1
46 1 . . . . . 2.91 1.80 3.20 parsed_1bnb 1
47 1 . . . . . 3.19 1.80 3.51 parsed_1bnb 1
48 1 . . . . . 2.24 1.80 2.46 parsed_1bnb 1
49 1 . . . . . 2.84 1.80 3.12 parsed_1bnb 1
50 1 . . . . . 2.98 1.80 3.58 parsed_1bnb 1
51 1 . . . . . 2.93 1.80 3.51 parsed_1bnb 1
52 1 . . . . . 2.55 1.80 3.07 parsed_1bnb 1
53 1 . . . . . 2.50 1.80 3.00 parsed_1bnb 1
54 1 . . . . . 2.21 1.80 2.43 parsed_1bnb 1
55 1 . . . . . 1.89 1.80 2.08 parsed_1bnb 1
56 1 . . . . . 2.54 1.80 3.04 parsed_1bnb 1
57 1 . . . . . 3.72 1.80 4.09 parsed_1bnb 1
58 1 . . . . . 2.98 1.80 3.28 parsed_1bnb 1
59 1 . . . . . 2.38 1.80 2.62 parsed_1bnb 1
60 1 . . . . . 2.85 1.80 3.43 parsed_1bnb 1
61 1 . . . . . 3.55 1.80 3.91 parsed_1bnb 1
62 1 . . . . . 2.22 1.80 2.44 parsed_1bnb 1
63 1 . . . . . 3.00 1.80 3.30 parsed_1bnb 1
64 1 . . . . . 3.60 1.80 3.96 parsed_1bnb 1
65 1 . . . . . 3.03 1.80 3.63 parsed_1bnb 1
66 1 . . . . . 2.25 1.80 2.48 parsed_1bnb 1
67 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
68 1 . . . . . 2.93 1.80 3.22 parsed_1bnb 1
69 1 . . . . . 2.56 1.80 2.82 parsed_1bnb 1
70 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
71 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
72 1 . . . . . 3.10 1.80 3.41 parsed_1bnb 1
73 1 . . . . . 3.68 1.80 4.42 parsed_1bnb 1
74 1 . . . . . 2.62 1.80 2.88 parsed_1bnb 1
75 1 . . . . . 2.89 1.80 3.18 parsed_1bnb 1
76 1 . . . . . 2.76 1.80 3.42 parsed_1bnb 1
77 1 . . . . . 2.39 1.80 2.63 parsed_1bnb 1
78 1 . . . . . 2.28 1.80 2.51 parsed_1bnb 1
79 1 . . . . . 2.60 1.80 2.86 parsed_1bnb 1
80 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
81 1 . . . . . 2.35 1.80 2.83 parsed_1bnb 1
82 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
83 1 . . . . . 3.03 1.80 3.33 parsed_1bnb 1
84 1 . . . . . 3.02 1.80 3.32 parsed_1bnb 1
85 1 . . . . . 2.52 1.80 2.77 parsed_1bnb 1
86 1 . . . . . 3.17 1.80 3.49 parsed_1bnb 1
87 1 . . . . . 2.64 1.80 2.90 parsed_1bnb 1
88 1 . . . . . 3.01 1.80 3.61 parsed_1bnb 1
89 1 . . . . . 2.78 1.80 3.34 parsed_1bnb 1
90 1 . . . . . 2.50 1.80 2.75 parsed_1bnb 1
91 1 . . . . . 2.25 1.80 2.48 parsed_1bnb 1
92 1 . . . . . 3.00 1.80 3.50 parsed_1bnb 1
93 1 . . . . . 2.18 1.80 2.40 parsed_1bnb 1
94 1 . . . . . 3.41 1.80 3.75 parsed_1bnb 1
95 1 . . . . . 2.95 1.80 3.55 parsed_1bnb 1
96 1 . . . . . 2.68 1.80 3.22 parsed_1bnb 1
97 1 . . . . . 2.28 1.80 2.51 parsed_1bnb 1
98 1 . . . . . 3.16 1.80 3.48 parsed_1bnb 1
99 1 . . . . . 2.99 1.80 3.29 parsed_1bnb 1
100 1 . . . . . 3.55 1.80 4.27 parsed_1bnb 1
101 1 . . . . . 2.29 1.80 2.52 parsed_1bnb 1
102 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
103 1 . . . . . 3.06 1.80 3.37 parsed_1bnb 1
104 1 . . . . . 2.45 1.80 2.69 parsed_1bnb 1
105 1 . . . . . 3.35 1.80 4.03 parsed_1bnb 1
106 1 . . . . . 3.13 1.80 3.44 parsed_1bnb 1
107 1 . . . . . 2.38 1.80 2.62 parsed_1bnb 1
108 1 . . . . . 4.28 1.80 4.71 parsed_1bnb 1
109 1 . . . . . 2.89 1.80 3.18 parsed_1bnb 1
110 1 . . . . . 3.12 1.80 3.43 parsed_1bnb 1
111 1 . . . . . 3.14 1.80 3.45 parsed_1bnb 1
112 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
113 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 1
114 1 . . . . . 2.75 1.80 3.03 parsed_1bnb 1
115 1 . . . . . 2.47 1.80 2.97 parsed_1bnb 1
116 1 . . . . . 2.93 1.80 3.51 parsed_1bnb 1
117 1 . . . . . 2.79 1.80 3.35 parsed_1bnb 1
118 1 . . . . . 3.31 1.80 3.97 parsed_1bnb 1
119 1 . . . . . 3.12 1.80 3.43 parsed_1bnb 1
120 1 . . . . . 3.66 1.80 4.03 parsed_1bnb 1
121 1 . . . . . 3.22 1.80 3.54 parsed_1bnb 1
122 1 . . . . . 4.13 1.80 4.54 parsed_1bnb 1
123 1 . . . . . 5.1 1.80 5.10 parsed_1bnb 1
124 1 . . . . . 5.1 1.80 5.10 parsed_1bnb 1
125 1 . . . . . 2.58 1.80 2.84 parsed_1bnb 1
126 1 . . . . . 5.10 1.80 5.10 parsed_1bnb 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
;
-----------------------------------------
Gly 1 (Ala) Mutated to an alanine for technical reasons!
peak 3.99 - 3.60 -P2d
Distance= 2.53 0.73 0.25
peak 3.99 - 3.33 -P2d
;
1 1 5 47 parsed_1bnb 1
2
;
-----------------------------------------
Pro 2
-----------------------------------------
Leu 3
peak 8.47 - 4.35 -P2a
;
7 1 11 44 parsed_1bnb 1
3
;
-----------------------------------------
Ser 4
peak 8.24 - 4.33 -L3a
;
13 1 15 44 parsed_1bnb 1
4
;
-----------------------------------------
Cys 5
peak 8.27 - 4.23 -S4a
;
17 1 19 44 parsed_1bnb 1
5 "peak 8.27 - 3.91 -S4b" 21 1 21 44 parsed_1bnb 1
6
;
-----------------------------------------
Gly 6
peak 8.36 - 2.70 weak -C5b
;
23 1 25 40 parsed_1bnb 1
7 "peak 8.36 - 8.03 medium -R7NH" 27 1 27 41 parsed_1bnb 1
8
;
-----------------------------------------
Arg 7
peak 8.03 - 4.03 -G6A*
Distance= 3.32 1.52 0.33
*** This interaction covered by next constraint.
peak 8.03 - 3.91 medium -G6A*
;
29 1 34 41 parsed_1bnb 1
9 "peak 8.02 - 7.53 medium -N8NH" 36 1 36 41 parsed_1bnb 1
10
;
-----------------------------------------
Asn 8
peak 7.54 - 4.15 -R7a
;
38 1 40 45 parsed_1bnb 1
11 "peak 7.54 - 1.86 -R7b" 42 1 42 45 parsed_1bnb 1
12 "peak 7.54 - 3.18 -R7d" 44 1 44 45 parsed_1bnb 1
13 "peak 2.77 - 0.54 -I24d" 46 1 46 46 parsed_1bnb 1
14 "peak 2.58 - 0.54 -I24d" 48 1 48 46 parsed_1bnb 1
15
;
-----------------------------------------
Gly 9
peak 7.88 - 4.04 weak -G6A*
;
50 1 52 41 parsed_1bnb 1
16 "peak 7.88 - 7.53 medium -N8HN" 54 1 54 41 parsed_1bnb 1
17
;
peak 7.88 - 0.51 weak -I24d
-----------------------------------------
Gly 10
peak 8.07 - 4.14 weak -G9A*
Distance= 3.30 1.50 0.33
*** This interaction covered by next constraint.
peak 8.07 - 3.90 weak -G9A*
;
56 1 62 41 parsed_1bnb 1
18 "peak 8.07 - 4.03 weak -G6A*" 64 1 64 41 parsed_1bnb 1
19 "peak 8.07 - 7.87 strong -G9HN" 66 1 66 41 parsed_1bnb 1
20 "peak 4.61 - 2.36 -R36hd*" 68 1 68 49 parsed_1bnb 1
21
;
-----------------------------------------
Val 11
peak 8.82 - 3.23 -G10A*
peak 8.82 - 4.57 -G10A*
;
70 1 73 47 parsed_1bnb 1
22 "peak 8.82 - 0.51 -I24d" 75 1 75 46 parsed_1bnb 1
23 "peak 8.82 - 4.96 -C34ha" 77 1 77 47 parsed_1bnb 1
24 "peak 4.36 - 2.70 -C5HB*" 79 1 79 47 parsed_1bnb 1
25
;
peak 4.36 - 3.06 -C5HB*
Distance= 2.83 1.03 0.28
-----------------------------------------
Cys 12
peak 8.64 - 4.37 -V11a
;
81 1 85 48 parsed_1bnb 1
26 "peak 8.64 - 1.89 -V11b" 87 1 87 48 parsed_1bnb 1
27 "peak 2.73 - 0.81 -V32gS" 89 1 89 49 parsed_1bnb 1
28 "peak 5.46 - 4.98 -C34a" 91 1 91 48 parsed_1bnb 1
29 "peak 5.46 - 0.80 -V32gS" 93 1 93 49 parsed_1bnb 1
30
;
-----------------------------------------
Ile 13
peak 9.48 - 5.43 -C12a
;
95 1 97 46 parsed_1bnb 1
31 "peak 9.48 - 2.71 -C12b" 99 1 99 46 parsed_1bnb 1
32 "peak 9.48 - 8.40 -K33HN" 101 1 101 47 parsed_1bnb 1
33 "peak 4.65 - 3.88 -P14d" 103 1 103 46 parsed_1bnb 1
34
;
peak 4.65 - 3.74 -P14d
Distance= 2.43 0.63 0.24
*** This interaction covered in previous constraint.
-----------------------------------------
Pro 14
peak 4.47 - 4.22 strong -V32a
;
105 1 110 41 parsed_1bnb 1
35 "peak 4.46 - 0.90 -V32gR" 112 1 112 42 parsed_1bnb 1
36 "peak 4.46 - 0.81 -V32gS" 114 1 114 42 parsed_1bnb 1
37
;
peak 3.88 - 1.08 weak -I13HG2
Distance= 2.66 0.86 0.27
*** This interaction covered by the next constraint.
peak 3.73 - 1.08 weak -I13HG2
;
116 1 119 43 parsed_1bnb 1
38
;
-----------------------------------------
Ile 15
peak 8.71 - 4.44 -P14a
;
121 1 123 47 parsed_1bnb 1
39 "peak 8.71 - 2.45 -P14b" 125 1 125 47 parsed_1bnb 1
40 "peak 8.71 - 4.21 -V32a" 127 1 127 47 parsed_1bnb 1
41 "peak 8.71 - 0.89 -V32gR" 129 1 129 48 parsed_1bnb 1
42
;
-----------------------------------------
Arg 16
peak 9.25 - 3.23 -I15a
;
131 1 133 47 parsed_1bnb 1
43 "peak 9.25 - 2.48 -I15b" 135 1 135 47 parsed_1bnb 1
44 "peak 9.25 - 0.82 -I15g2" 137 1 137 48 parsed_1bnb 1
45
;
-----------------------------------------
Cys 17
peak 9.01 - 4.46 -R16a
;
139 1 141 46 parsed_1bnb 1
46
;
peak 9.01 - 1.80 -R16b
Distance= 3.32 1.52 0.33
peak 9.01 - 1.69 -R16b
;
143 1 145 46 parsed_1bnb 1
47 "peak 9.01 - 1.30 -R16g" 147 1 147 46 parsed_1bnb 1
48 "peak 4.99 - 3.97 -P18d" 149 1 149 46 parsed_1bnb 1
49
;
peak 4.99 - 3.67 -P18d
Distance= 2.37 0.57 0.24
peak 4.99 - 1.83 -I13b
;
151 1 153 46 parsed_1bnb 1
50 "peak 4.99 - 1.08 -I13g2" 155 1 155 47 parsed_1bnb 1
51 "peak 4.99 - 0.74 -I13d" 157 1 157 46 parsed_1bnb 1
52
;
-----------------------------------------
Pro 18
peak 3.96 - 1.08 -I13g2
;
159 1 161 41 parsed_1bnb 1
53 "peak 3.96 - 0.75 -I13d" 163 1 163 40 parsed_1bnb 1
54
;
-----------------------------------------
Val 19
peak 8.41 - 4.52 -P18alpha
;
165 1 167 45 parsed_1bnb 1
55
;
-----------------------------------------
Pro 20
peak 4.86 - 4.29 -V19alpha
;
169 1 171 52 parsed_1bnb 1
56 "peak 4.86 - 0.95 -V19gamma1" 173 1 173 53 parsed_1bnb 1
57
;
peak 4.86 - 1.05 -V19gamma2
Distance= 3.04 1.24 0.30
-----------------------------------------
Met 21
peak 9.42 - 1.88 -P20b
;
175 1 179 48 parsed_1bnb 1
58 "peak 9.42 - 4.27 -V19a" 181 1 181 48 parsed_1bnb 1
59
;
------------------------------------------
Arg 22
peak 8.74 - 4.08 -M21a
;
183 1 185 46 parsed_1bnb 1
60 "peak 1.45 - 0.64 -I24hg2*" 187 1 187 49 parsed_1bnb 1
61 "peak 6.99 - 4.48 -W38a" 189 1 189 46 parsed_1bnb 1
62
;
-----------------------------------------
Gln 23
peak 8.81 - 4.52 -R22a
;
191 1 193 41 parsed_1bnb 1
63 "peak 8.81 - 1.64 -R22b" 195 1 195 41 parsed_1bnb 1
64 "peak 8.81 - 1.43 -R22g" 197 1 197 41 parsed_1bnb 1
65 "peak 4.87 - 0.64 -I24g2" 199 1 199 42 parsed_1bnb 1
66
;
-----------------------------------------
Ile 24
peak 8.74 - 4.84 -Q23a
;
201 1 203 47 parsed_1bnb 1
67 "peak 8.74 - 2.44 -Q23g" 205 1 205 47 parsed_1bnb 1
68 "peak 8.74 - 2.00 -Q23b" 207 1 207 47 parsed_1bnb 1
69 "peak 8.74 - 7.54 -G25NH" 209 1 209 48 parsed_1bnb 1
70 "peak 8.74 - 5.52 -C35a" 211 1 211 47 parsed_1bnb 1
71
;
-----------------------------------------
Gly 25
peak 7.54 - 1.97 -I24b
;
213 1 215 48 parsed_1bnb 1
72 "peak 7.54 - 0.75 -I24g1" 217 1 217 49 parsed_1bnb 1
73 "peak 7.54 - 0.54 -I24d" 219 1 219 48 parsed_1bnb 1
74
;
peak 7.54 - 2.41 -Q23HG*
Distance= 2.79 0.99 0.28
peak 7.54 - 2.29 -Q23HG*
;
221 1 223 50 parsed_1bnb 1
75 "peak 4.26 - 2.22 -C34HBS" 225 1 225 50 parsed_1bnb 1
76 "peak 4.29 - 1.00 -T26HG*" 227 1 227 50 parsed_1bnb 1
77
;
peak 4.10 - 1.00 -T26HG*
Distance= 3.20 1.40 0.64
-----------------------------------------
Thr 26
peak 8.69 - 4.26 strong -G25A*
;
229 1 233 42 parsed_1bnb 1
78
;
peak 8.69 - 4.08 strong -G25A*
Distance= 2.54 0.74 0.25
*** interaction covered by previous constraint.
peak 4.78 - 4.17 -K33a
;
235 1 238 41 parsed_1bnb 1
79
;
-----------------------------------------
Cys 27
peak 8.37 - 4.34 -T26b
;
240 1 242 46 parsed_1bnb 1
80 "peak 8.37 - 0.99 -T26g" 244 1 244 46 parsed_1bnb 1
81 "peak 3.06 - 0.81 -V32g" 246 1 246 46 parsed_1bnb 1
82 "peak 2.39 - 2.73 -C12hb*" 248 1 248 48 parsed_1bnb 1
83 "peak 3.06 - 7.12 -F28h26" 250 1 250 48 parsed_1bnb 1
84 "peak 2.39 - 7.12 -F28h26" 252 1 252 48 parsed_1bnb 1
85
;
-----------------------------------------
Phe 28
peak 7.72 - 4.53 -C27a
;
254 1 256 46 parsed_1bnb 1
86 "peak 7.72 - 2.39 -C27bR" 258 1 258 46 parsed_1bnb 1
87 "peak 7.13 - 1.96 -V32b" 260 1 260 45 parsed_1bnb 1
88 "peak 7.13 - 0.90 -V32gR" 262 1 262 46 parsed_1bnb 1
89 "peak 7.13 - 0.81 -V32gS" 264 1 264 46 parsed_1bnb 1
90
;
-----------------------------------------
Gly 29
peak 8.35 - 4.52 strong -F28a
;
266 1 268 41 parsed_1bnb 1
91
;
-----------------------------------------
Arg 30
peak 8.18 - 4.05 str-med -G29A*
Distance= 2.52 0.72 0.25
*** This interaction covered by next constraint.
peak 8.18 - 3.66 strong -G29A*
;
270 1 275 42 parsed_1bnb 1
92
;
-----------------------------------------
Pro 31
-----------------------------------------
Val 32
This is a degenerate NOE, unable to measure volume.
;
277 1 281 55 parsed_1bnb 1
93
;
-----------------------------------------
Lys 33
peak 8.41 - 4.19 -V32a
;
283 1 285 46 parsed_1bnb 1
94 "peak 8.41 - 4.44 weak -P14alpha" 287 1 287 45 parsed_1bnb 1
95 "peak 8.41 - 0.81 -V32gS" 289 1 289 47 parsed_1bnb 1
96 "peak 4.18 - 1.00 -T26g" 291 1 291 47 parsed_1bnb 1
97
;
-----------------------------------------
Cys 34
peak 8.15 - 4.17 -K33a
;
293 1 295 46 parsed_1bnb 1
98 "peak 8.15 - 1.86 -K33b" 297 1 297 46 parsed_1bnb 1
99 "peak 8.15 - 1.49 -K33g" 299 1 299 46 parsed_1bnb 1
100 "peak 8.15 - 0.99 -T26g" 301 1 301 46 parsed_1bnb 1
101
;
-----------------------------------------
Cys 35
peak 9.48 - 4.95 -C34a
;
303 1 305 46 parsed_1bnb 1
102 "peak 9.48 - 4.95 -C34HB1" 307 1 307 48 parsed_1bnb 1
103
;
peak 9.48 - 0.99 -I13h1, or I24hg1
Distance= 4.00 2.20 1.10
peak 9.48 - 8.82 -V11HN
;
309 1 311 47 parsed_1bnb 1
104 "peak 5.55 - 4.86 -Q23alpha" 313 1 313 50 parsed_1bnb 1
105 "peak 5.55 - 0.64 -I24HG" 315 1 315 47 parsed_1bnb 1
106 "peak 5.55 - 0.49 -I24HG" 317 1 317 47 parsed_1bnb 1
107
;
-----------------------------------------
Arg 36
peak 9.43 - 5.53 -C35a
;
319 1 321 47 parsed_1bnb 1
108 "peak 9.43 - 2.84 -C35bR" 323 1 323 48 parsed_1bnb 1
109 "peak 9.43 - 2.51 -C35bS" 325 1 325 48 parsed_1bnb 1
110 "peak 9.43 - 4.83 -Q23a" 327 1 327 47 parsed_1bnb 1
111 "peak 9.43 - 8.74 -R22HN" 329 1 329 48 parsed_1bnb 1
112 "peak 9.43 - 0.63 -I24g2" 331 1 331 48 parsed_1bnb 1
113 "peak 9.43 - 0.51 -I24d" 333 1 333 47 parsed_1bnb 1
114 "peak 9.43 - 2.57 -M21hg" 335 1 335 48 parsed_1bnb 1
115
;
peak 9.43 - 2.16 -M21hg*
Distance= 3.85 2.05 0.39
*** This constraint covered by previous assignment.
peak 4.10 - 2.07 -hbS
Distance= 2.50 0.70 0.25
peak 2.34 - 0.52 -I24d
;
337 1 342 47 parsed_1bnb 1
116 "peak 1.78 - 0.51 -I24d" 344 1 344 47 parsed_1bnb 1
117 "peak 1.78 - 0.65 -I24g2" 346 1 346 48 parsed_1bnb 1
118 "peak 6.26 - 0.63 -I24g2" 348 1 348 49 parsed_1bnb 1
119
;
-----------------------------------------
Ser 37
peak 9.02 - 4.78 -R36a
;
350 1 352 48 parsed_1bnb 1
120 "peak 9.02 - 1.10 -R36b" 354 1 354 48 parsed_1bnb 1
121 "peak 9.02 - 1.54 -R36g" 356 1 356 48 parsed_1bnb 1
122
;
peak 9.02 - 0.92 -R36g
Distance= 3.38 1.58 0.34
peak 9.02 - 7.30 -W38HN
;
358 1 360 49 parsed_1bnb 1
123
;
-----------------------------------------
Trp 38
peak 7.30 - 1.76 -R36b
;
362 1 364 48 parsed_1bnb 1
124 "peak 7.30 - 1.53 -R36g" 366 1 366 48 parsed_1bnb 1
125 "peak 7.30 - 0.92 -R36g" 368 1 368 48 parsed_1bnb 1
126 "peak 7.05 - 0.92 -R36g" 370 1 370 48 parsed_1bnb 1
127
;
-----------------------------------------
;
372 1 376 2 parsed_1bnb 1
stop_
save_
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