Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29261 | 1aot RC | cing | 2-parsed | STAR | distance | NOE | ambi | 105 |
data_1aot_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1aot
_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_1aot 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1aot
_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 1aot "Master copy" parsed_1aot
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1aot
_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 1aot.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aot 1
1 1aot.mr . . XPLOR/CNS 2 distance NOE simple 1400 parsed_1aot 1
1 1aot.mr . . XPLOR/CNS 3 distance NOE ambi 105 parsed_1aot 1
1 1aot.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_1aot 1
1 1aot.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1aot 1
1 1aot.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1aot 1
1 1aot.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aot 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1aot
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1aot 1
2 1 . . . parsed_1aot 1
3 1 . . . parsed_1aot 1
4 1 . . . parsed_1aot 1
5 1 . . . parsed_1aot 1
6 1 . . . parsed_1aot 1
7 1 . . . parsed_1aot 1
8 1 . . . parsed_1aot 1
9 1 . . . parsed_1aot 1
10 1 . . . parsed_1aot 1
11 1 . . . parsed_1aot 1
12 1 . . . parsed_1aot 1
13 1 . . . parsed_1aot 1
14 1 . . . parsed_1aot 1
15 1 . . . parsed_1aot 1
16 1 . . . parsed_1aot 1
17 1 . . . parsed_1aot 1
18 1 . . . parsed_1aot 1
19 1 . . . parsed_1aot 1
20 1 . . . parsed_1aot 1
21 1 . . . parsed_1aot 1
22 1 . . . parsed_1aot 1
23 1 . . . parsed_1aot 1
24 1 . . . parsed_1aot 1
25 1 . . . parsed_1aot 1
26 1 . . . parsed_1aot 1
27 1 . . . parsed_1aot 1
28 1 . . . parsed_1aot 1
29 1 . . . parsed_1aot 1
30 1 . . . parsed_1aot 1
31 1 . . . parsed_1aot 1
32 1 . . . parsed_1aot 1
33 1 . . . parsed_1aot 1
34 1 . . . parsed_1aot 1
35 1 . . . parsed_1aot 1
36 1 . . . parsed_1aot 1
37 1 . . . parsed_1aot 1
38 1 . . . parsed_1aot 1
39 1 . . . parsed_1aot 1
40 1 . . . parsed_1aot 1
41 1 . . . parsed_1aot 1
42 1 . . . parsed_1aot 1
43 1 . . . parsed_1aot 1
44 1 . . . parsed_1aot 1
45 1 . . . parsed_1aot 1
46 1 . . . parsed_1aot 1
47 1 . . . parsed_1aot 1
48 1 . . . parsed_1aot 1
49 1 . . . parsed_1aot 1
50 1 . . . parsed_1aot 1
51 1 . . . parsed_1aot 1
52 1 . . . parsed_1aot 1
53 1 . . . parsed_1aot 1
54 1 . . . parsed_1aot 1
55 1 . . . parsed_1aot 1
56 1 . . . parsed_1aot 1
57 1 . . . parsed_1aot 1
58 1 . . . parsed_1aot 1
59 1 . . . parsed_1aot 1
60 1 . . . parsed_1aot 1
61 1 . . . parsed_1aot 1
62 1 . . . parsed_1aot 1
63 1 . . . parsed_1aot 1
64 1 . . . parsed_1aot 1
65 1 . . . parsed_1aot 1
66 1 . . . parsed_1aot 1
67 1 . . . parsed_1aot 1
68 1 . . . parsed_1aot 1
69 1 . . . parsed_1aot 1
70 1 . . . parsed_1aot 1
71 1 . . . parsed_1aot 1
72 1 . . . parsed_1aot 1
73 1 . . . parsed_1aot 1
74 1 . . . parsed_1aot 1
75 1 . . . parsed_1aot 1
76 1 . . . parsed_1aot 1
77 1 . . . parsed_1aot 1
78 1 . . . parsed_1aot 1
79 1 . . . parsed_1aot 1
80 1 . . . parsed_1aot 1
81 1 . . . parsed_1aot 1
82 1 . . . parsed_1aot 1
83 1 . . . parsed_1aot 1
84 1 . . . parsed_1aot 1
85 1 . . . parsed_1aot 1
86 1 . . . parsed_1aot 1
87 1 . . . parsed_1aot 1
88 1 . . . parsed_1aot 1
89 1 . . . parsed_1aot 1
90 1 . . . parsed_1aot 1
91 1 . . . parsed_1aot 1
92 1 . . . parsed_1aot 1
93 1 . . . parsed_1aot 1
94 1 . . . parsed_1aot 1
95 1 . . . parsed_1aot 1
96 1 . . . parsed_1aot 1
97 1 . . . parsed_1aot 1
98 1 . . . parsed_1aot 1
99 1 . . . parsed_1aot 1
100 1 . . . parsed_1aot 1
101 1 . . . parsed_1aot 1
102 1 . . . parsed_1aot 1
103 1 . . . parsed_1aot 1
104 1 . . . parsed_1aot 1
105 1 . . . parsed_1aot 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 . . . . . . . . fSH2 60 . hd2 parsed_1aot 1
1 1 1 . . . . . . . . fSH2 204 . he* parsed_1aot 1
1 1 2 . . . . . . . . fSH2 60 . hb1 parsed_1aot 1
2 1 1 . . . . . . . . fSH2 60 . hd2 parsed_1aot 1
2 1 1 . . . . . . . . fSH2 204 . he* parsed_1aot 1
2 1 2 . . . . . . . . fSH2 60 . hb2 parsed_1aot 1
3 1 1 . . . . . . . . fSH2 204 . hn parsed_1aot 1
3 1 1 . . . . . . . . fSH2 205 . hn parsed_1aot 1
3 1 2 . . . . . . . . fSH2 204 . ha parsed_1aot 1
4 1 1 . . . . . . . . fSH2 204 . hn parsed_1aot 1
4 1 1 . . . . . . . . fSH2 205 . hn parsed_1aot 1
4 1 2 . . . . . . . . fSH2 204 . hb1 parsed_1aot 1
5 1 1 . . . . . . . . fSH2 204 . hn parsed_1aot 1
5 1 1 . . . . . . . . fSH2 205 . hn parsed_1aot 1
5 1 2 . . . . . . . . fSH2 204 . hb2 parsed_1aot 1
6 1 1 . . . . . . . . fSH2 204 . hn parsed_1aot 1
6 1 1 . . . . . . . . fSH2 205 . hn parsed_1aot 1
6 1 2 . . . . . . . . fSH2 204 . hd* parsed_1aot 1
7 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aot 1
7 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aot 1
7 1 2 . . . . . . . . fSH2 207 . hn parsed_1aot 1
8 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aot 1
8 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aot 1
8 1 2 . . . . . . . . fSH2 74 . hb parsed_1aot 1
9 1 1 . . . . . . . . fSH2 75 . hg2* parsed_1aot 1
9 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aot 1
9 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aot 1
9 1 2 . . . . . . . . fSH2 75 . hn parsed_1aot 1
10 1 1 . . . . . . . . fSH2 207 . hd1* parsed_1aot 1
10 1 1 . . . . . . . . fSH2 207 . hg2* parsed_1aot 1
10 1 2 . . . . . . . . fSH2 75 . hn parsed_1aot 1
11 1 1 . . . . . . . . fSH2 209 . hd1* parsed_1aot 1
11 1 1 . . . . . . . . fSH2 209 . hg2* parsed_1aot 1
11 1 2 . . . . . . . . fSH2 209 . hn parsed_1aot 1
12 1 1 . . . . . . . . fSH2 209 . hd1* parsed_1aot 1
12 1 1 . . . . . . . . fSH2 209 . hg2* parsed_1aot 1
12 1 2 . . . . . . . . fSH2 210 . hn parsed_1aot 1
13 1 1 . . . . . . . . fSH2 211 . hb* parsed_1aot 1
13 1 1 . . . . . . . . fSH2 211 . hg* parsed_1aot 1
13 1 2 . . . . . . . . fSH2 211 . hn parsed_1aot 1
14 1 1 . . . . . . . . fSH2 2 . hd1* parsed_1aot 1
14 1 1 . . . . . . . . fSH2 33 . hd1* parsed_1aot 1
14 1 1 . . . . . . . . fSH2 101 . hg1* parsed_1aot 1
14 1 2 . . . . . . . . fSH2 5 . hn parsed_1aot 1
15 1 1 . . . . . . . . fSH2 8 . hb2* parsed_1aot 1
15 1 1 . . . . . . . . fSH2 83 . hb* parsed_1aot 1
15 1 2 . . . . . . . . fSH2 7 . hz2 parsed_1aot 1
16 1 1 . . . . . . . . fSH2 2 . hd1* parsed_1aot 1
16 1 1 . . . . . . . . fSH2 33 . hd1* parsed_1aot 1
16 1 2 . . . . . . . . fSH2 7 . hh2 parsed_1aot 1
17 1 1 . . . . . . . . fSH2 32 . hb* parsed_1aot 1
17 1 1 . . . . . . . . fSH2 32 . hg* parsed_1aot 1
17 1 2 . . . . . . . . fSH2 9 . hn parsed_1aot 1
18 1 1 . . . . . . . . fSH2 10 . ha1 parsed_1aot 1
18 1 1 . . . . . . . . fSH2 44 . hb2 parsed_1aot 1
18 1 2 . . . . . . . . fSH2 12 . hn parsed_1aot 1
19 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aot 1
19 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aot 1
19 1 2 . . . . . . . . fSH2 19 . hn parsed_1aot 1
20 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aot 1
20 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aot 1
20 1 2 . . . . . . . . fSH2 21 . hn parsed_1aot 1
21 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aot 1
21 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aot 1
21 1 2 . . . . . . . . fSH2 22 . hn parsed_1aot 1
22 1 1 . . . . . . . . fSH2 21 . hd* parsed_1aot 1
22 1 1 . . . . . . . . fSH2 22 . hd2* parsed_1aot 1
22 1 2 . . . . . . . . fSH2 22 . hn parsed_1aot 1
23 1 1 . . . . . . . . fSH2 21 . hd* parsed_1aot 1
23 1 1 . . . . . . . . fSH2 22 . hd2* parsed_1aot 1
23 1 2 . . . . . . . . fSH2 23 . hn parsed_1aot 1
24 1 1 . . . . . . . . fSH2 21 . hb* parsed_1aot 1
24 1 1 . . . . . . . . fSH2 22 . hb* parsed_1aot 1
24 1 2 . . . . . . . . fSH2 22 . hn parsed_1aot 1
25 1 1 . . . . . . . . fSH2 27 . hd2 parsed_1aot 1
25 1 1 . . . . . . . . fSH2 30 . hb parsed_1aot 1
25 1 2 . . . . . . . . fSH2 30 . hg1 parsed_1aot 1
26 1 1 . . . . . . . . fSH2 27 . hb* parsed_1aot 1
26 1 1 . . . . . . . . fSH2 27 . hg* parsed_1aot 1
26 1 2 . . . . . . . . fSH2 30 . hg1 parsed_1aot 1
27 1 1 . . . . . . . . fSH2 28 . ha parsed_1aot 1
27 1 1 . . . . . . . . fSH2 30 . hb parsed_1aot 1
27 1 2 . . . . . . . . fSH2 30 . hn parsed_1aot 1
28 1 1 . . . . . . . . fSH2 30 . hg2* parsed_1aot 1
28 1 1 . . . . . . . . fSH2 102 . hg1* parsed_1aot 1
28 1 2 . . . . . . . . fSH2 31 . hn parsed_1aot 1
29 1 1 . . . . . . . . fSH2 47 . hd1* parsed_1aot 1
29 1 1 . . . . . . . . fSH2 47 . hg2* parsed_1aot 1
29 1 2 . . . . . . . . fSH2 31 . ha parsed_1aot 1
30 1 1 . . . . . . . . fSH2 32 . hb* parsed_1aot 1
30 1 1 . . . . . . . . fSH2 32 . hg* parsed_1aot 1
30 1 2 . . . . . . . . fSH2 33 . hn parsed_1aot 1
31 1 1 . . . . . . . . fSH2 37 . ha parsed_1aot 1
31 1 1 . . . . . . . . fSH2 38 . ha parsed_1aot 1
31 1 1 . . . . . . . . fSH2 38 . hb parsed_1aot 1
31 1 2 . . . . . . . . fSH2 36 . hb2 parsed_1aot 1
32 1 1 . . . . . . . . fSH2 37 . ha parsed_1aot 1
32 1 1 . . . . . . . . fSH2 38 . ha parsed_1aot 1
32 1 1 . . . . . . . . fSH2 38 . hb parsed_1aot 1
32 1 2 . . . . . . . . fSH2 36 . hb1 parsed_1aot 1
33 1 1 . . . . . . . . fSH2 40 . ha parsed_1aot 1
33 1 1 . . . . . . . . fSH2 41 . ha1 parsed_1aot 1
33 1 2 . . . . . . . . fSH2 41 . hn parsed_1aot 1
34 1 1 . . . . . . . . fSH2 40 . ha parsed_1aot 1
34 1 1 . . . . . . . . fSH2 41 . ha1 parsed_1aot 1
34 1 2 . . . . . . . . fSH2 42 . hn parsed_1aot 1
35 1 1 . . . . . . . . fSH2 33 . hg2* parsed_1aot 1
35 1 1 . . . . . . . . fSH2 63 . hg12 parsed_1aot 1
35 1 2 . . . . . . . . fSH2 44 . hn parsed_1aot 1
36 1 1 . . . . . . . . fSH2 8 . hd* parsed_1aot 1
36 1 1 . . . . . . . . fSH2 43 . hd* parsed_1aot 1
36 1 2 . . . . . . . . fSH2 44 . hb1 parsed_1aot 1
37 1 1 . . . . . . . . fSH2 45 . hd1* parsed_1aot 1
37 1 1 . . . . . . . . fSH2 63 . hd1* parsed_1aot 1
37 1 2 . . . . . . . . fSH2 45 . hn parsed_1aot 1
38 1 1 . . . . . . . . fSH2 59 . hn parsed_1aot 1
38 1 1 . . . . . . . . fSH2 60 . hn parsed_1aot 1
38 1 2 . . . . . . . . fSH2 47 . hn parsed_1aot 1
39 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aot 1
39 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aot 1
39 1 2 . . . . . . . . fSH2 48 . hn parsed_1aot 1
40 1 1 . . . . . . . . fSH2 28 . ha parsed_1aot 1
40 1 1 . . . . . . . . fSH2 30 . hb parsed_1aot 1
40 1 2 . . . . . . . . fSH2 48 . hn parsed_1aot 1
41 1 1 . . . . . . . . fSH2 21 . hd* parsed_1aot 1
41 1 1 . . . . . . . . fSH2 22 . hd2* parsed_1aot 1
41 1 2 . . . . . . . . fSH2 49 . hn parsed_1aot 1
42 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aot 1
42 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aot 1
42 1 2 . . . . . . . . fSH2 49 . hn parsed_1aot 1
43 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aot 1
43 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aot 1
43 1 2 . . . . . . . . fSH2 49 . hn parsed_1aot 1
44 1 1 . . . . . . . . fSH2 51 . ha parsed_1aot 1
44 1 1 . . . . . . . . fSH2 52 . ha parsed_1aot 1
44 1 2 . . . . . . . . fSH2 52 . hn parsed_1aot 1
45 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aot 1
45 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aot 1
45 1 2 . . . . . . . . fSH2 51 . hn parsed_1aot 1
46 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aot 1
46 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aot 1
46 1 2 . . . . . . . . fSH2 51 . hn parsed_1aot 1
47 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aot 1
47 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aot 1
47 1 2 . . . . . . . . fSH2 52 . hn parsed_1aot 1
48 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aot 1
48 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aot 1
48 1 2 . . . . . . . . fSH2 52 . hn parsed_1aot 1
49 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aot 1
49 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aot 1
49 1 2 . . . . . . . . fSH2 53 . hn parsed_1aot 1
50 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aot 1
50 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aot 1
50 1 2 . . . . . . . . fSH2 53 . hn parsed_1aot 1
51 1 1 . . . . . . . . fSH2 51 . ha parsed_1aot 1
51 1 1 . . . . . . . . fSH2 52 . ha parsed_1aot 1
51 1 2 . . . . . . . . fSH2 53 . hn parsed_1aot 1
52 1 1 . . . . . . . . fSH2 51 . ha parsed_1aot 1
52 1 1 . . . . . . . . fSH2 52 . ha parsed_1aot 1
52 1 2 . . . . . . . . fSH2 54 . hn parsed_1aot 1
53 1 1 . . . . . . . . fSH2 51 . hb1 parsed_1aot 1
53 1 1 . . . . . . . . fSH2 52 . hb1 parsed_1aot 1
53 1 2 . . . . . . . . fSH2 55 . hn parsed_1aot 1
54 1 1 . . . . . . . . fSH2 51 . hb2 parsed_1aot 1
54 1 1 . . . . . . . . fSH2 52 . hb2 parsed_1aot 1
54 1 2 . . . . . . . . fSH2 55 . hn parsed_1aot 1
55 1 1 . . . . . . . . fSH2 51 . ha parsed_1aot 1
55 1 1 . . . . . . . . fSH2 52 . ha parsed_1aot 1
55 1 2 . . . . . . . . fSH2 55 . hn parsed_1aot 1
56 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aot 1
56 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aot 1
56 1 2 . . . . . . . . fSH2 57 . hn parsed_1aot 1
57 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aot 1
57 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aot 1
57 1 2 . . . . . . . . fSH2 57 . hn parsed_1aot 1
58 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aot 1
58 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aot 1
58 1 2 . . . . . . . . fSH2 58 . hn parsed_1aot 1
59 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aot 1
59 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aot 1
59 1 2 . . . . . . . . fSH2 58 . hn parsed_1aot 1
60 1 1 . . . . . . . . fSH2 48 . hb* parsed_1aot 1
60 1 1 . . . . . . . . fSH2 49 . hb2 parsed_1aot 1
60 1 2 . . . . . . . . fSH2 59 . hn parsed_1aot 1
61 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aot 1
61 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aot 1
61 1 2 . . . . . . . . fSH2 59 . hn parsed_1aot 1
62 1 1 . . . . . . . . fSH2 60 . hd2 parsed_1aot 1
62 1 1 . . . . . . . . fSH2 204 . he* parsed_1aot 1
62 1 2 . . . . . . . . fSH2 60 . hb1 parsed_1aot 1
63 1 1 . . . . . . . . fSH2 60 . hd2 parsed_1aot 1
63 1 1 . . . . . . . . fSH2 204 . he* parsed_1aot 1
63 1 2 . . . . . . . . fSH2 60 . hb2 parsed_1aot 1
64 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aot 1
64 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aot 1
64 1 2 . . . . . . . . fSH2 60 . he1 parsed_1aot 1
65 1 1 . . . . . . . . fSH2 58 . hb* parsed_1aot 1
65 1 1 . . . . . . . . fSH2 59 . hb* parsed_1aot 1
65 1 2 . . . . . . . . fSH2 60 . hn parsed_1aot 1
66 1 1 . . . . . . . . fSH2 45 . hn parsed_1aot 1
66 1 1 . . . . . . . . fSH2 62 . hn parsed_1aot 1
66 1 2 . . . . . . . . fSH2 63 . hn parsed_1aot 1
67 1 1 . . . . . . . . fSH2 69 . ha2 parsed_1aot 1
67 1 1 . . . . . . . . fSH2 70 . ha2 parsed_1aot 1
67 1 2 . . . . . . . . fSH2 69 . hn parsed_1aot 1
68 1 1 . . . . . . . . fSH2 69 . ha2 parsed_1aot 1
68 1 1 . . . . . . . . fSH2 70 . ha2 parsed_1aot 1
68 1 2 . . . . . . . . fSH2 70 . hn parsed_1aot 1
69 1 1 . . . . . . . . fSH2 63 . hg2* parsed_1aot 1
69 1 1 . . . . . . . . fSH2 85 . hd2* parsed_1aot 1
69 1 2 . . . . . . . . fSH2 71 . hn parsed_1aot 1
70 1 1 . . . . . . . . fSH2 69 . ha2 parsed_1aot 1
70 1 1 . . . . . . . . fSH2 70 . ha2 parsed_1aot 1
70 1 2 . . . . . . . . fSH2 71 . hn parsed_1aot 1
71 1 1 . . . . . . . . fSH2 66 . hb* parsed_1aot 1
71 1 1 . . . . . . . . fSH2 66 . hg parsed_1aot 1
71 1 2 . . . . . . . . fSH2 72 . he* parsed_1aot 1
72 1 1 . . . . . . . . fSH2 66 . hb* parsed_1aot 1
72 1 1 . . . . . . . . fSH2 66 . hg parsed_1aot 1
72 1 2 . . . . . . . . fSH2 72 . hd* parsed_1aot 1
73 1 1 . . . . . . . . fSH2 71 . hb1 parsed_1aot 1
73 1 1 . . . . . . . . fSH2 72 . hb1 parsed_1aot 1
73 1 2 . . . . . . . . fSH2 72 . hn parsed_1aot 1
74 1 1 . . . . . . . . fSH2 71 . hb1 parsed_1aot 1
74 1 1 . . . . . . . . fSH2 72 . hb1 parsed_1aot 1
74 1 2 . . . . . . . . fSH2 79 . hn parsed_1aot 1
75 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
75 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
75 1 2 . . . . . . . . fSH2 79 . hb* parsed_1aot 1
76 1 1 . . . . . . . . fSH2 82 . hn parsed_1aot 1
76 1 1 . . . . . . . . fSH2 83 . hn parsed_1aot 1
76 1 2 . . . . . . . . fSH2 81 . hg1 parsed_1aot 1
77 1 1 . . . . . . . . fSH2 8 . he* parsed_1aot 1
77 1 1 . . . . . . . . fSH2 43 . he* parsed_1aot 1
77 1 2 . . . . . . . . fSH2 82 . hd1* parsed_1aot 1
78 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
78 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
78 1 2 . . . . . . . . fSH2 83 . hb* parsed_1aot 1
79 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
79 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
79 1 2 . . . . . . . . fSH2 85 . hn parsed_1aot 1
80 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
80 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
80 1 2 . . . . . . . . fSH2 85 . ha parsed_1aot 1
81 1 1 . . . . . . . . fSH2 86 . hg1* parsed_1aot 1
81 1 1 . . . . . . . . fSH2 100 . hd1* parsed_1aot 1
81 1 2 . . . . . . . . fSH2 86 . hn parsed_1aot 1
81 1 2 . . . . . . . . fSH2 87 . hn parsed_1aot 1
82 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
82 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
82 1 2 . . . . . . . . fSH2 86 . hg1* parsed_1aot 1
83 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
83 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
83 1 2 . . . . . . . . fSH2 86 . hg2* parsed_1aot 1
84 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
84 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
84 1 2 . . . . . . . . fSH2 86 . ha parsed_1aot 1
85 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
85 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
85 1 2 . . . . . . . . fSH2 86 . hb parsed_1aot 1
86 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aot 1
86 1 1 . . . . . . . . fSH2 91 . hn parsed_1aot 1
86 1 2 . . . . . . . . fSH2 86 . hn parsed_1aot 1
87 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
87 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
87 1 2 . . . . . . . . fSH2 87 . hb1 parsed_1aot 1
88 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
88 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
88 1 2 . . . . . . . . fSH2 87 . hb2 parsed_1aot 1
89 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aot 1
89 1 1 . . . . . . . . fSH2 91 . hn parsed_1aot 1
89 1 2 . . . . . . . . fSH2 87 . hn parsed_1aot 1
90 1 1 . . . . . . . . fSH2 86 . hg1* parsed_1aot 1
90 1 1 . . . . . . . . fSH2 100 . hd1* parsed_1aot 1
90 1 2 . . . . . . . . fSH2 88 . hn parsed_1aot 1
91 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
91 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
91 1 2 . . . . . . . . fSH2 88 . hn parsed_1aot 1
92 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aot 1
92 1 1 . . . . . . . . fSH2 91 . hn parsed_1aot 1
92 1 2 . . . . . . . . fSH2 88 . hn parsed_1aot 1
93 1 1 . . . . . . . . fSH2 86 . hn parsed_1aot 1
93 1 1 . . . . . . . . fSH2 87 . hn parsed_1aot 1
93 1 2 . . . . . . . . fSH2 89 . hn parsed_1aot 1
94 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aot 1
94 1 1 . . . . . . . . fSH2 91 . hn parsed_1aot 1
94 1 2 . . . . . . . . fSH2 89 . hn parsed_1aot 1
95 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aot 1
95 1 1 . . . . . . . . fSH2 91 . hn parsed_1aot 1
95 1 2 . . . . . . . . fSH2 90 . hn parsed_1aot 1
96 1 1 . . . . . . . . fSH2 93 . hb* parsed_1aot 1
96 1 1 . . . . . . . . fSH2 94 . hb* parsed_1aot 1
96 1 2 . . . . . . . . fSH2 94 . hn parsed_1aot 1
97 1 1 . . . . . . . . fSH2 93 . hb* parsed_1aot 1
97 1 1 . . . . . . . . fSH2 94 . hb* parsed_1aot 1
97 1 2 . . . . . . . . fSH2 95 . hn parsed_1aot 1
98 1 1 . . . . . . . . fSH2 93 . hb* parsed_1aot 1
98 1 1 . . . . . . . . fSH2 94 . hb* parsed_1aot 1
98 1 2 . . . . . . . . fSH2 96 . hn parsed_1aot 1
99 1 1 . . . . . . . . fSH2 89 . hd* parsed_1aot 1
99 1 1 . . . . . . . . fSH2 91 . hn parsed_1aot 1
99 1 2 . . . . . . . . fSH2 96 . hn parsed_1aot 1
100 1 1 . . . . . . . . fSH2 86 . hg1* parsed_1aot 1
100 1 1 . . . . . . . . fSH2 100 . hd1* parsed_1aot 1
100 1 2 . . . . . . . . fSH2 100 . hd2* parsed_1aot 1
101 1 1 . . . . . . . . fSH2 30 . hg2* parsed_1aot 1
101 1 1 . . . . . . . . fSH2 102 . hg1* parsed_1aot 1
101 1 2 . . . . . . . . fSH2 102 . hn parsed_1aot 1
102 1 1 . . . . . . . . fSH2 31 . hd* parsed_1aot 1
102 1 1 . . . . . . . . fSH2 31 . he* parsed_1aot 1
102 1 2 . . . . . . . . fSH2 102 . hn parsed_1aot 1
103 1 1 . . . . . . . . fSH2 103 . hb* parsed_1aot 1
103 1 1 . . . . . . . . fSH2 103 . hg* parsed_1aot 1
103 1 2 . . . . . . . . fSH2 104 . hn parsed_1aot 1
104 1 1 . . . . . . . . fSH2 2 . hd1* parsed_1aot 1
104 1 1 . . . . . . . . fSH2 33 . hd1* parsed_1aot 1
104 1 1 . . . . . . . . fSH2 101 . hg1* parsed_1aot 1
104 1 2 . . . . . . . . fSH2 105 . hn parsed_1aot 1
105 1 1 . . . . . . . . fSH2 105 . ha parsed_1aot 1
105 1 1 . . . . . . . . fSH2 105 . hb1 parsed_1aot 1
105 1 2 . . . . . . . . fSH2 106 . hn parsed_1aot 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 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
2 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
3 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
4 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
5 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
6 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
7 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
8 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
9 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
10 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
11 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
12 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
13 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
14 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
15 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
16 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
17 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
18 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
19 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
20 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
21 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
22 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
23 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
24 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
25 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
26 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
27 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
28 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
29 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
30 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
31 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
32 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
33 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
34 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
35 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
36 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
37 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
38 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
39 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
40 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
41 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
42 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
43 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
44 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
45 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
46 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
47 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
48 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
49 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
50 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
51 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
52 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
53 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
54 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
55 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
56 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
57 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
58 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
59 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
60 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
61 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
62 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
63 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
64 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
65 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
66 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
67 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
68 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
69 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
70 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
71 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
72 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
73 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
74 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
75 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
76 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
77 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
78 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
79 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
80 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
81 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
82 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
83 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
84 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
85 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
86 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
87 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
88 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
89 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
90 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
91 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
92 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
93 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
94 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
95 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
96 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
97 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
98 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 1
99 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
100 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
101 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
102 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
103 1 . . . . . 0.0 -1.8 2.7 parsed_1aot 1
104 1 . . . . . 0.0 -1.8 5.0 parsed_1aot 1
105 1 . . . . . 0.0 -1.8 3.5 parsed_1aot 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
;
The ambiguous restraints that are commented out have moved into
the ordinary restraint list at some point during the caluclations
NH-X intensities at 0.2 lev sh2assstp2.mat
STRONG 2.7 (>8 contours)
MEDIUM 3.5 (4<= contours <= 8)
WEAK 5.0 (<4 contours)
Residue E1 (201)
Residue P2 (202)
Residue Q3 (203)
Residue pY4 (204)
;
1 1 15 19 parsed_1aot 1
2
;
assign (( segid "fSH2" and resid*205 and name ha) or ( segid "fSH2" and resid 38 and name hb ))
(( segid "fSH2" and resid 204 and name hn) or (segid "fSH2" and resid*205 and name hn )) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 204 and name hn) or ( segid "fSH2" and resid*205 and name hn ))
( segid "fSH2" and resid*61 and name ha) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid*38 and name hb ))
( segid "fSH2" and resid*204 and name hd*) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 205 and name ha) or ( segid "fSH2" and resid 38 and name hb ))
( segid "fSH2" and resid 204 and name he*) 0.0 1.8 5.0
;
31 1 41 56 parsed_1aot 1
3
;
Residue E5 (205)
Residue E6 (206)
Residue I7 (207)
;
46 1 50 19 parsed_1aot 1
4
;
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* ))
( segid "fSH2" and resid 61 and name hd* ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* ))
( segid "fSH2" and resid 73 and name hg2* ) 0.0 1.8 5.0
;
54 1 58 57 parsed_1aot 1
5
;
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* ))
( segid "fSH2" and resid 74 and name hg2* ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* ))
( segid "fSH2" and resid 96 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid *207 and name hd1* ))
( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 207 and name hg2*) or ( segid "fSH2" and resid 207 and name hd1* ))
( segid "fSH2" and resid 96 and name hd1* ) 0.0 1.8 3.5
X-filtered NOESY shows CH3 207-75HN Xpk; size of contribution unknown
therefore restrain methyls to wtithin 5 A and let stronger restraint
including HG2 75 sort out relative contributions
;
63 1 77 50 parsed_1aot 1
6
;
Residue P8 (208)
Residue I9 (209)
;
89 1 91 20 parsed_1aot 1
7 "Residue Y10 (210)" 95 1 95 20 parsed_1aot 1
8 "Residue L11 (211)" 99 1 99 20 parsed_1aot 1
9
;
Residue S143 (1)
Residue I144 (2)
Residue Q145 (3)
Residue A146 (4)
Residue E147 (5)
;
103 1 111 18 parsed_1aot 1
10
;
Residue E148 (6)
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 6 and name hn ) 0.0 1.8 5.0
Residue W149 (7)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 96 and name hd1* ))
( segid "fSH2" and resid 7 and name he1) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 86 and name hg2*) or ( segid "fSH2" and resid 96 and name hd2* ))
( segid "fSH2" and resid 7 and name he1) 0.0 1.8 5.0
;
116 1 126 54 parsed_1aot 1
11
;
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 7 and name hd1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 7 and name he1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 7 and name hz2 ) 0.0 1.8 5.0
;
131 1 138 55 parsed_1aot 1
12
;
Residue Y150 (8)
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 8 and name hd* ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 8 and name he* ) 0.0 1.8 3.5
Residue F151 (9)
;
143 1 152 18 parsed_1aot 1
13
;
Residue G152 (10)
Residue K153 (11)
Residue L154 (12)
assign (( segid "fSH2" and resid 10 and name ha2) or ( segid "fSH2" and resid 44 and name hb2))
( segid "fSH2" and resid 12 and name hn ) 0.0 1.8 5.0
;
156 1 162 55 parsed_1aot 1
14
;
Residue G155 (13)
Residue R156 (14)
assign (( segid "fSH2" and resid 18 and name hg2*) or ( segid "fSH2" and resid 37 and name hb* ))
( segid "fSH2" and resid 14 and name hn) 0.0 1.8 5.0
Residue K157 (15)
Residue D158 (16)
Residue A159 (17)
Residue E160 (18)
Residue R161 (19)
;
166 1 180 19 parsed_1aot 1
15
;
3.5 olp
Residue Q162 (20)
Residue L163 (21)
;
182 55 186 19 parsed_1aot 1
16 "Residue L164 (22)" 190 1 190 19 parsed_1aot 1
17 "Residue S165 (23)" 197 1 197 19 parsed_1aot 1
18
;
assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* ))
( segid "fSH2" and resid 22 and name hn ) 0.0 1.8 5.0
Residue F166 (24)
Residue G167 (25)
Residue N168 (26)
assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* ))
( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 21 and name ha ) or (segid "fSH2" and resid 23 and name hb* ))
( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* ))
( segid "fSH2" and resid 26 and name hn ) 0.0 1.8 5.0
Residue P169 (27)
Residue R170 (28)
assign (( segid "fSH2" and resid 45 and name hb* ) or (segid "fSH2" and resid 48 and name hb* ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 ))
( segid "fSH2" and resid 28 and name hn ) 0.0 1.8 3.5
Residue G171 (29)
assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 ))
( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 ))
( segid "fSH2" and resid 29 and name hn ) 0.0 1.8 3.5
Residue T172 (30)
assign (( segid "fSH2" and resid 28 and name hb* ) or (segid "fSH2" and resid 102 and name hb* ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 30 and name hg2* ) or ( segid "fSH2" and resid 102 and name hg1* ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 ))
( segid "fSH2" and resid 30 and name hg1 ) 0.0 1.8 5.0
;
204 1 257 56 parsed_1aot 1
19
;
assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
;
262 1 263 55 parsed_1aot 1
20
;
assign (( segid "fSH2" and resid 48 and name hb* ) or ( segid "fSH2" and resid 49 and name hb2 ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
;
268 1 272 55 parsed_1aot 1
21
;
assign (( segid "fSH2" and resid 27 and name ha ) or (segid "fSH2" and resid 29 and name ha1 ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1* ) or ( segid "fSH2" and resid 33 and name hd1*)
or ( segid "fSH2" and resid 101 and name hg1* ))
( segid "fSH2" and resid 30 and name hn ) 0.0 1.8 5.0
Residue F173 (31)
assign (( segid "fSH2" and resid 21 and name hd* ) or ( segid "fSH2" and resid 22 and name hd2* ))
( segid "fSH2" and resid 31 and name ha ) 0.0 1.8 5.0
;
277 1 286 55 parsed_1aot 1
22
;
assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 31 and name hn ) 0.0 1.8 5.0
Residue L174 (32)
assign (( segid "fSH2" and resid 17 and name ha ) or ( segid "fSH2" and resid 104 and name hb2 ))
( segid "fSH2" and resid 32 and name hd2* ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* ))
( segid "fSH2" and resid 32 and name hn ) 0.0 1.8 5.0
Residue I175 (33)
;
294 1 307 19 parsed_1aot 1
23
;
assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 33 and name hn ) 0.0 1.8 5.0
Residue R176 (34)
assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* ))
( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 7 and name hb2 ) or ( segid "fSH2" and resid 43 and name hb2 ))
( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 34 and name hn ) 0.0 1.8 5.0
Residue E177 (35)
assign (( segid "fSH2" and resid 8 and name hd* ) or ( segid "fSH2" and resid 43 and name hd* ))
( segid "fSH2" and resid 35 and name hn ) 0.0 1.8 5.0
Residue S178 (36)
assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha)
or ( segid "fSH2" and resid 38 and name hb ))
( segid "fSH2" and resid 36 and name hb1 ) 0.0 1.8 5.0
;
311 1 331 56 parsed_1aot 1
24
;
assign (( segid "fSH2" and resid 37 and name ha ) or ( segid "fSH2" and resid 38 and name ha )
or ( segid "fSH2" and resid 38 and name hb ))
( segid "fSH2" and resid 36 and name hb2 ) 0.0 1.8 5.0
;
338 1 340 56 parsed_1aot 1
25
;
Residue E179 (37)
Residue T180 (38)
Residue T181 (39)
Residue K182 (40)
Residue G183 (41)
;
347 1 355 19 parsed_1aot 1
26 "Residue A184 (42)" 359 1 359 19 parsed_1aot 1
27
;
Residue Y185 (43)
assign (( segid "fSH2" and resid 41 and name ha1 ) or ( segid "fSH2" and resid 35 and name ha ))
( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 36 and name hb1 ) or ( segid "fSH2" and resid 44 and name hb1 ))
( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* ))
( segid "fSH2" and resid 43 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 43 and name hd* ) 0.0 1.8 5.0
Residue S186 (44)
assign (( segid "fSH2" and resid 45 and name hd1* ) or ( segid "fSH2" and resid 63 and name hd1* ))
( segid "fSH2" and resid 44 and name hn ) 0.0 1.8 5.0
;
363 1 378 55 parsed_1aot 1
28
;
Residue L187 (45)
assign (( segid "fSH2" and resid 63 and name hg12 ) or ( segid "fSH2" and resid 33 and name hg2* ))
( segid "fSH2" and resid 45 and name hn ) 0.0 1.8 5.0
;
386 1 388 55 parsed_1aot 1
29
;
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 45 and name hd2*) 0.0 1.8 5.0
Residue S188 (46)
assign (( segid "fSH2" and resid 45 and name hd1*)or ( segid "fSH2" and resid 63 and name hd1*))
( segid "fSH2" and resid 46 and name hn ) 0.0 1.8 3.5
Residue I189 (47)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 47 and name hn ) 0.0 1.8 5.0
;
393 1 402 55 parsed_1aot 1
30
;
Residue R190 (48)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 48 and name ha ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 27 and name hd2 ) or ( segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0
;
407 1 412 55 parsed_1aot 1
31
;
assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* ))
( segid "fSH2" and resid 48 and name hn ) 0.0 1.8 5.0
;
417 1 418 55 parsed_1aot 1
32 "Residue D191 (49)" 423 1 423 19 parsed_1aot 1
33
;
assign (( segid "fSH2" and resid 26 and name hb* ) or (segid "fSH2" and resid 48 and name hd* ))
( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 28 and name ha ) or (segid "fSH2" and resid 30 and name hb ))
( segid "fSH2" and resid 49 and name hn ) 0.0 1.8 5.0
;
430 1 434 55 parsed_1aot 1
34
;
Residue W192 (50)
Residue D193 (51)
;
440 1 442 19 parsed_1aot 1
35 "Residue D194 (52)" 452 1 452 19 parsed_1aot 1
36 "Residue M195 (53)" 459 1 459 19 parsed_1aot 1
37 "Residue K196 (54)" 470 1 470 19 parsed_1aot 1
38 "Residue G197 (55)" 474 1 474 19 parsed_1aot 1
39
;
Residue D198 (56)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 56 and name hb1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 56 and name hb2 ) 0.0 1.8 5.0
Residue H199 (57)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 57 and name hn ) 0.0 1.8 5.0
;
484 1 493 55 parsed_1aot 1
40
;
Residue V200 (58)
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 58 and name hn ) 0.0 1.8 5.0
;
501 1 503 55 parsed_1aot 1
41
;
m.c.
Residue K201 (59)
assign (( segid "fSH2" and resid 46 and name hn ) or ( segid "fSH2" and resid 47 and name hn ))
( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0
;
509 55 513 56 parsed_1aot 1
42
;
assign (( segid "fSH2" and resid 21 and name hd*)or ( segid "fSH2" and resid 22 and name hd2*))
( segid "fSH2" and resid 59 and name hn ) 0.0 1.8 5.0
;
518 1 519 55 parsed_1aot 1
43
;
m.c.
Residue H202 (60)
;
522 55 524 19 parsed_1aot 1
44
;
Residue Y203 (61)
Residue K204 (62)
Residue I205 (63)
;
537 1 541 19 parsed_1aot 1
45
;
Residue R206 (64)
assign (( segid "fSH2" and resid 44 and name ha ) or ( segid "fSH2" and resid 71 and name ha ))
( segid "fSH2" and resid 64 and name hn ) 0.0 1.8 5.0
Residue K207 (65)
Residue L208 (66)
assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 ))
( segid "fSH2" and resid 66 and name hn ) 0.0 1.8 5.0
Residue D209 (67)
Residue N210 (68)
assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 ))
( segid "fSH2" and resid 68 and name hn ) 0.0 1.8 5.0
Residue G211 (69)
;
545 1 561 19 parsed_1aot 1
46 "Residue G212 (70)" 565 1 565 19 parsed_1aot 1
47
;
Residue Y213 (71)
assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*))
( segid "fSH2" and resid 71 and name hn ) 0.0 1.8 5.0
;
569 1 571 56 parsed_1aot 1
48
;
2.7 unable to be satisfied
Residue Y214 (72)
assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*))
( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 5.0
;
578 56 582 56 parsed_1aot 1
49
;
assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2))
( segid "fSH2" and resid 72 and name hn ) 0.0 1.8 3.5
;
590 1 591 56 parsed_1aot 1
50
;
Residue I215 (73)
assign (( segid "fSH2" and resid 63 and name hg2*) or ( segid "fSH2" and resid 85 and name hd1*))
( segid "fSH2" and resid 73 and name hn ) 0.0 1.8 5.0
Residue T216 (74)
Residue T217 (75)
Residue R218 (76)
Residue A219 (77)
Residue Q220 (78)
Residue F221 (79)
assign (( segid "fSH2" and resid 71 and name hb1) or ( segid "fSH2" and resid 72 and name hb2))
( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0
;
598 1 614 56 parsed_1aot 1
51
;
assign (( segid "fSH2" and resid 69 and name ha2 ) or ( segid "fSH2" and resid 70 and name ha2 ))
( segid "fSH2" and resid 79 and name hn ) 0.0 1.8 5.0
Residue E222 (80)
Residue T223 (81)
;
623 1 628 19 parsed_1aot 1
52
;
Residue L224 (82)
assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 82 and name hb* ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 2 and name hd1*) or ( segid "fSH2" and resid 33 and name hd1*))
( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 8 and name he* ) or ( segid "fSH2" and resid 43 and name he* ))
( segid "fSH2" and resid 82 and name hd2*) 0.0 1.8 5.0
;
632 1 639 56 parsed_1aot 1
53
;
Residue Q225 (83)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 83 and name ha ) 0.0 1.8 5.0
;
643 1 645 55 parsed_1aot 1
54
;
Residue Q226 (84)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 84 and name hn ) 0.0 1.8 5.0
Residue L227 (85)
;
650 1 654 19 parsed_1aot 1
55
;
assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn ))
( segid "fSH2" and resid 85 and name hd1*) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn ))
( segid "fSH2" and resid 85 and name hd2*) 0.0 1.8 3.5
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 85 and name hn ) 0.0 1.8 5.0
Residue V228 (86)
;
661 1 670 19 parsed_1aot 1
56 "Residue Q229 (87)" 689 1 689 19 parsed_1aot 1
57 "Residue H230 (88)" 700 1 700 19 parsed_1aot 1
58
;
Residue Y231 (89)
assign (( segid "fSH2" and resid 86 and name hd1* ) or ( segid "fSH2" and resid 100 and name hd1* ))
( segid "fSH2" and resid 89 and name hb1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* ))
( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 89 and name hn ) 0.0 1.8 5.0
;
710 1 718 55 parsed_1aot 1
59
;
Residue S232 (90)
assign (( segid "fSH2" and resid 96 and name hd2* ) or ( segid "fSH2" and resid 86 and name hg2* ))
( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 90 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 90 and name hb1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 90 and name hb2 ) 0.0 1.8 5.0
;
726 1 737 56 parsed_1aot 1
60
;
Residue E233 (91)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 91 and name hn ) 0.0 1.8 5.0
Residue R234 (92)
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 92 and name hn ) 0.0 1.8 5.0
Residue A235 (93)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* ))
( segid "fSH2" and resid 93 and name hn ) 0.0 1.8 2.7
Residue A236 (94)
;
743 1 755 19 parsed_1aot 1
61 "Residue G237 (95)" 759 1 759 19 parsed_1aot 1
62
;
assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1* ))
( segid "fSH2" and resid 95 and name ha1 ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 207 and name hg1* ) or ( segid "fSH2" and resid 209 and name hg1* ))
( segid "fSH2" and resid 95 and name ha2 ) 0.0 1.8 5.0
Residue L238 (96)
;
763 1 769 19 parsed_1aot 1
63
;
Residue S239 (97)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* ))
( segid "fSH2" and resid 97 and name hn ) 0.0 1.8 5.0
Residue S240 (98)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* ))
( segid "fSH2" and resid 98 and name hn ) 0.0 1.8 5.0
Residue R241 (99)
assign (( segid "fSH2" and resid 93 and name hb* ) or ( segid "fSH2" and resid 94 and name hb* ))
( segid "fSH2" and resid 99 and name hn ) 0.0 1.8 3.5
Residue L242 (100)
assign (( segid "fSH2" and resid 45 and name hd1*) or ( segid "fSH2" and resid 47 and name hd1*))
( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 100 and name hn ) 0.0 1.8 5.0
assign (( segid "fSH2" and resid 86 and name hg1*) or ( segid "fSH2" and resid 100 and name hd1*))
( segid "fSH2" and resid 100 and name ha ) 0.0 1.8 5.0
;
776 1 796 56 parsed_1aot 1
64
;
assign (( segid "fSH2" and resid 86 and name hn ) or ( segid "fSH2" and resid 87 and name hn ))
( segid "fSH2" and resid 100 and name hd2*) 0.0 1.8 5.0
Residue V243 (101)
Residue V244 (102)
;
801 1 806 20 parsed_1aot 1
65
;
assign (( segid "fSH2" and resid 9 and name hd*)or ( segid "fSH2" and resid 31 and name hd* ))
( segid "fSH2" and resid 102 and name hn ) 0.0 1.8 5.0
;
810 1 811 56 parsed_1aot 1
66
;
Residue 245 (103)
Residue 246 (104)
assign (( segid "fSH2" and resid 27 and name hd1 ) or ( segid "fSH2" and resid 104 and name hb1 ))
( segid "fSH2" and resid 104 and name hn ) 0.0 1.8 5.0
;
816 1 820 56 parsed_1aot 1
67 "Residue 247 (105)" 825 1 825 19 parsed_1aot 1
68 "Residue 248 (106)" 830 1 830 19 parsed_1aot 1
stop_
save_