NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
655074 |
6m6e   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 92 |
data_6m6e_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6m6e
_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_6m6e 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6m6e
_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 6m6e "Master copy" parsed_6m6e
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6m6e
_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 6m6e.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6m6e 1
1 6m6e.mr . . XPLOR/CNS 2 distance NOE simple 1955 parsed_6m6e 1
1 6m6e.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 92 parsed_6m6e 1
1 6m6e.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6m6e 1
1 6m6e.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6m6e 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6m6e
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen 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_6m6e 1
2 1 . . . parsed_6m6e 1
3 1 . . . parsed_6m6e 1
4 1 . . . parsed_6m6e 1
5 1 . . . parsed_6m6e 1
6 1 . . . parsed_6m6e 1
7 1 . . . parsed_6m6e 1
8 1 . . . parsed_6m6e 1
9 1 . . . parsed_6m6e 1
10 1 . . . parsed_6m6e 1
11 1 . . . parsed_6m6e 1
12 1 . . . parsed_6m6e 1
13 1 . . . parsed_6m6e 1
14 1 . . . parsed_6m6e 1
15 1 . . . parsed_6m6e 1
16 1 . . . parsed_6m6e 1
17 1 . . . parsed_6m6e 1
18 1 . . . parsed_6m6e 1
19 1 . . . parsed_6m6e 1
20 1 . . . parsed_6m6e 1
21 1 . . . parsed_6m6e 1
22 1 . . . parsed_6m6e 1
23 1 . . . parsed_6m6e 1
24 1 . . . parsed_6m6e 1
25 1 . . . parsed_6m6e 1
26 1 . . . parsed_6m6e 1
27 1 . . . parsed_6m6e 1
28 1 . . . parsed_6m6e 1
29 1 . . . parsed_6m6e 1
30 1 . . . parsed_6m6e 1
31 1 . . . parsed_6m6e 1
32 1 . . . parsed_6m6e 1
33 1 . . . parsed_6m6e 1
34 1 . . . parsed_6m6e 1
35 1 . . . parsed_6m6e 1
36 1 . . . parsed_6m6e 1
37 1 . . . parsed_6m6e 1
38 1 . . . parsed_6m6e 1
39 1 . . . parsed_6m6e 1
40 1 . . . parsed_6m6e 1
41 1 . . . parsed_6m6e 1
42 1 . . . parsed_6m6e 1
43 1 . . . parsed_6m6e 1
44 1 . . . parsed_6m6e 1
45 1 . . . parsed_6m6e 1
46 1 . . . parsed_6m6e 1
47 1 . . . parsed_6m6e 1
48 1 . . . parsed_6m6e 1
49 1 . . . parsed_6m6e 1
50 1 . . . parsed_6m6e 1
51 1 . . . parsed_6m6e 1
52 1 . . . parsed_6m6e 1
53 1 . . . parsed_6m6e 1
54 1 . . . parsed_6m6e 1
55 1 . . . parsed_6m6e 1
56 1 . . . parsed_6m6e 1
57 1 . . . parsed_6m6e 1
58 1 . . . parsed_6m6e 1
59 1 . . . parsed_6m6e 1
60 1 . . . parsed_6m6e 1
61 1 . . . parsed_6m6e 1
62 1 . . . parsed_6m6e 1
63 1 . . . parsed_6m6e 1
64 1 . . . parsed_6m6e 1
65 1 . . . parsed_6m6e 1
66 1 . . . parsed_6m6e 1
67 1 . . . parsed_6m6e 1
68 1 . . . parsed_6m6e 1
69 1 . . . parsed_6m6e 1
70 1 . . . parsed_6m6e 1
71 1 . . . parsed_6m6e 1
72 1 . . . parsed_6m6e 1
73 1 . . . parsed_6m6e 1
74 1 . . . parsed_6m6e 1
75 1 . . . parsed_6m6e 1
76 1 . . . parsed_6m6e 1
77 1 . . . parsed_6m6e 1
78 1 . . . parsed_6m6e 1
79 1 . . . parsed_6m6e 1
80 1 . . . parsed_6m6e 1
81 1 . . . parsed_6m6e 1
82 1 . . . parsed_6m6e 1
83 1 . . . parsed_6m6e 1
84 1 . . . parsed_6m6e 1
85 1 . . . parsed_6m6e 1
86 1 . . . parsed_6m6e 1
87 1 . . . parsed_6m6e 1
88 1 . . . parsed_6m6e 1
89 1 . . . parsed_6m6e 1
90 1 . . . parsed_6m6e 1
91 1 . . . parsed_6m6e 1
92 1 . . . parsed_6m6e 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 . . . . . . . . . 35 . N parsed_6m6e 1
1 1 2 . . . . . . . . . 50 . O parsed_6m6e 1
2 1 1 . . . . . . . . . 35 . HN parsed_6m6e 1
2 1 2 . . . . . . . . . 50 . O parsed_6m6e 1
3 1 1 . . . . . . . . . 53 . N parsed_6m6e 1
3 1 2 . . . . . . . . . 19 . O parsed_6m6e 1
4 1 1 . . . . . . . . . 53 . HN parsed_6m6e 1
4 1 2 . . . . . . . . . 19 . O parsed_6m6e 1
5 1 1 . . . . . . . . . 54 . N parsed_6m6e 1
5 1 2 . . . . . . . . . 66 . O parsed_6m6e 1
6 1 1 . . . . . . . . . 54 . HN parsed_6m6e 1
6 1 2 . . . . . . . . . 66 . O parsed_6m6e 1
7 1 1 . . . . . . . . . 56 . N parsed_6m6e 1
7 1 2 . . . . . . . . . 64 . O parsed_6m6e 1
8 1 1 . . . . . . . . . 56 . HN parsed_6m6e 1
8 1 2 . . . . . . . . . 64 . O parsed_6m6e 1
9 1 1 . . . . . . . . . 58 . N parsed_6m6e 1
9 1 2 . . . . . . . . . 62 . O parsed_6m6e 1
10 1 1 . . . . . . . . . 58 . HN parsed_6m6e 1
10 1 2 . . . . . . . . . 62 . O parsed_6m6e 1
11 1 1 . . . . . . . . . 62 . N parsed_6m6e 1
11 1 2 . . . . . . . . . 59 . O parsed_6m6e 1
12 1 1 . . . . . . . . . 62 . HN parsed_6m6e 1
12 1 2 . . . . . . . . . 59 . O parsed_6m6e 1
13 1 1 . . . . . . . . . 63 . N parsed_6m6e 1
13 1 2 . . . . . . . . . 95 . O parsed_6m6e 1
14 1 1 . . . . . . . . . 63 . HN parsed_6m6e 1
14 1 2 . . . . . . . . . 95 . O parsed_6m6e 1
15 1 1 . . . . . . . . . 64 . N parsed_6m6e 1
15 1 2 . . . . . . . . . 56 . O parsed_6m6e 1
16 1 1 . . . . . . . . . 64 . HN parsed_6m6e 1
16 1 2 . . . . . . . . . 56 . O parsed_6m6e 1
17 1 1 . . . . . . . . . 66 . N parsed_6m6e 1
17 1 2 . . . . . . . . . 54 . O parsed_6m6e 1
18 1 1 . . . . . . . . . 66 . HN parsed_6m6e 1
18 1 2 . . . . . . . . . 54 . O parsed_6m6e 1
19 1 1 . . . . . . . . . 73 . N parsed_6m6e 1
19 1 2 . . . . . . . . . 85 . O parsed_6m6e 1
20 1 1 . . . . . . . . . 73 . HN parsed_6m6e 1
20 1 2 . . . . . . . . . 85 . O parsed_6m6e 1
21 1 1 . . . . . . . . . 74 . N parsed_6m6e 1
21 1 2 . . . . . . . . . 65 . O parsed_6m6e 1
22 1 1 . . . . . . . . . 74 . HN parsed_6m6e 1
22 1 2 . . . . . . . . . 65 . O parsed_6m6e 1
23 1 1 . . . . . . . . . 75 . N parsed_6m6e 1
23 1 2 . . . . . . . . . 83 . O parsed_6m6e 1
24 1 1 . . . . . . . . . 75 . HN parsed_6m6e 1
24 1 2 . . . . . . . . . 83 . O parsed_6m6e 1
25 1 1 . . . . . . . . . 76 . N parsed_6m6e 1
25 1 2 . . . . . . . . . 92 . O parsed_6m6e 1
26 1 1 . . . . . . . . . 76 . HN parsed_6m6e 1
26 1 2 . . . . . . . . . 92 . O parsed_6m6e 1
27 1 1 . . . . . . . . . 77 . N parsed_6m6e 1
27 1 2 . . . . . . . . . 81 . O parsed_6m6e 1
28 1 1 . . . . . . . . . 77 . HN parsed_6m6e 1
28 1 2 . . . . . . . . . 81 . O parsed_6m6e 1
29 1 1 . . . . . . . . . 83 . N parsed_6m6e 1
29 1 2 . . . . . . . . . 75 . O parsed_6m6e 1
30 1 1 . . . . . . . . . 83 . HN parsed_6m6e 1
30 1 2 . . . . . . . . . 75 . O parsed_6m6e 1
31 1 1 . . . . . . . . . 84 . N parsed_6m6e 1
31 1 2 . . . . . . . . . 39 . O parsed_6m6e 1
32 1 1 . . . . . . . . . 84 . HN parsed_6m6e 1
32 1 2 . . . . . . . . . 39 . O parsed_6m6e 1
33 1 1 . . . . . . . . . 85 . N parsed_6m6e 1
33 1 2 . . . . . . . . . 73 . O parsed_6m6e 1
34 1 1 . . . . . . . . . 85 . HN parsed_6m6e 1
34 1 2 . . . . . . . . . 73 . O parsed_6m6e 1
35 1 1 . . . . . . . . . 94 . N parsed_6m6e 1
35 1 2 . . . . . . . . . 90 . O parsed_6m6e 1
36 1 1 . . . . . . . . . 94 . HN parsed_6m6e 1
36 1 2 . . . . . . . . . 90 . O parsed_6m6e 1
37 1 1 . . . . . . . . . 95 . N parsed_6m6e 1
37 1 2 . . . . . . . . . 63 . O parsed_6m6e 1
38 1 1 . . . . . . . . . 95 . HN parsed_6m6e 1
38 1 2 . . . . . . . . . 63 . O parsed_6m6e 1
39 1 1 . . . . . . . . . 17 . N parsed_6m6e 1
39 1 2 . . . . . . . . . 55 . O parsed_6m6e 1
40 1 1 . . . . . . . . . 17 . HN parsed_6m6e 1
40 1 2 . . . . . . . . . 55 . O parsed_6m6e 1
41 1 1 . . . . . . . . . 55 . N parsed_6m6e 1
41 1 2 . . . . . . . . . 17 . O parsed_6m6e 1
42 1 1 . . . . . . . . . 55 . HN parsed_6m6e 1
42 1 2 . . . . . . . . . 17 . O parsed_6m6e 1
43 1 1 . . . . . . . . . 19 . N parsed_6m6e 1
43 1 2 . . . . . . . . . 53 . O parsed_6m6e 1
44 1 1 . . . . . . . . . 19 . HN parsed_6m6e 1
44 1 2 . . . . . . . . . 53 . O parsed_6m6e 1
45 1 1 . . . . . . . . . 20 . N parsed_6m6e 1
45 1 2 . . . . . . . . . 139 . O parsed_6m6e 1
46 1 1 . . . . . . . . . 20 . HN parsed_6m6e 1
46 1 2 . . . . . . . . . 139 . O parsed_6m6e 1
47 1 1 . . . . . . . . . 139 . N parsed_6m6e 1
47 1 2 . . . . . . . . . 20 . O parsed_6m6e 1
48 1 1 . . . . . . . . . 139 . HN parsed_6m6e 1
48 1 2 . . . . . . . . . 20 . O parsed_6m6e 1
49 1 1 . . . . . . . . . 33 . N parsed_6m6e 1
49 1 2 . . . . . . . . . 21 . O parsed_6m6e 1
50 1 1 . . . . . . . . . 33 . HN parsed_6m6e 1
50 1 2 . . . . . . . . . 21 . O parsed_6m6e 1
51 1 1 . . . . . . . . . 22 . N parsed_6m6e 1
51 1 2 . . . . . . . . . 137 . O parsed_6m6e 1
52 1 1 . . . . . . . . . 22 . HN parsed_6m6e 1
52 1 2 . . . . . . . . . 137 . O parsed_6m6e 1
53 1 1 . . . . . . . . . 137 . N parsed_6m6e 1
53 1 2 . . . . . . . . . 22 . O parsed_6m6e 1
54 1 1 . . . . . . . . . 137 . HN parsed_6m6e 1
54 1 2 . . . . . . . . . 22 . O parsed_6m6e 1
55 1 1 . . . . . . . . . 34 . N parsed_6m6e 1
55 1 2 . . . . . . . . . 42 . O parsed_6m6e 1
56 1 1 . . . . . . . . . 34 . HN parsed_6m6e 1
56 1 2 . . . . . . . . . 42 . O parsed_6m6e 1
57 1 1 . . . . . . . . . 42 . N parsed_6m6e 1
57 1 2 . . . . . . . . . 34 . O parsed_6m6e 1
58 1 1 . . . . . . . . . 42 . HN parsed_6m6e 1
58 1 2 . . . . . . . . . 34 . O parsed_6m6e 1
59 1 1 . . . . . . . . . 59 . N parsed_6m6e 1
59 1 2 . . . . . . . . . 62 . O parsed_6m6e 1
60 1 1 . . . . . . . . . 59 . HN parsed_6m6e 1
60 1 2 . . . . . . . . . 62 . O parsed_6m6e 1
61 1 1 . . . . . . . . . 68 . N parsed_6m6e 1
61 1 2 . . . . . . . . . 52 . O parsed_6m6e 1
62 1 1 . . . . . . . . . 68 . HN parsed_6m6e 1
62 1 2 . . . . . . . . . 52 . O parsed_6m6e 1
63 1 1 . . . . . . . . . 80 . N parsed_6m6e 1
63 1 2 . . . . . . . . . 77 . O parsed_6m6e 1
64 1 1 . . . . . . . . . 80 . HN parsed_6m6e 1
64 1 2 . . . . . . . . . 77 . O parsed_6m6e 1
65 1 1 . . . . . . . . . 96 . N parsed_6m6e 1
65 1 2 . . . . . . . . . 108 . O parsed_6m6e 1
66 1 1 . . . . . . . . . 96 . HN parsed_6m6e 1
66 1 2 . . . . . . . . . 108 . O parsed_6m6e 1
67 1 1 . . . . . . . . . 108 . N parsed_6m6e 1
67 1 2 . . . . . . . . . 96 . O parsed_6m6e 1
68 1 1 . . . . . . . . . 108 . HN parsed_6m6e 1
68 1 2 . . . . . . . . . 96 . O parsed_6m6e 1
69 1 1 . . . . . . . . . 98 . N parsed_6m6e 1
69 1 2 . . . . . . . . . 106 . O parsed_6m6e 1
70 1 1 . . . . . . . . . 98 . HN parsed_6m6e 1
70 1 2 . . . . . . . . . 106 . O parsed_6m6e 1
71 1 1 . . . . . . . . . 106 . N parsed_6m6e 1
71 1 2 . . . . . . . . . 98 . O parsed_6m6e 1
72 1 1 . . . . . . . . . 106 . HN parsed_6m6e 1
72 1 2 . . . . . . . . . 98 . O parsed_6m6e 1
73 1 1 . . . . . . . . . 100 . N parsed_6m6e 1
73 1 2 . . . . . . . . . 104 . O parsed_6m6e 1
74 1 1 . . . . . . . . . 100 . HN parsed_6m6e 1
74 1 2 . . . . . . . . . 104 . O parsed_6m6e 1
75 1 1 . . . . . . . . . 103 . N parsed_6m6e 1
75 1 2 . . . . . . . . . 100 . O parsed_6m6e 1
76 1 1 . . . . . . . . . 103 . HN parsed_6m6e 1
76 1 2 . . . . . . . . . 100 . O parsed_6m6e 1
77 1 1 . . . . . . . . . 105 . N parsed_6m6e 1
77 1 2 . . . . . . . . . 136 . O parsed_6m6e 1
78 1 1 . . . . . . . . . 105 . HN parsed_6m6e 1
78 1 2 . . . . . . . . . 136 . O parsed_6m6e 1
79 1 1 . . . . . . . . . 136 . N parsed_6m6e 1
79 1 2 . . . . . . . . . 105 . O parsed_6m6e 1
80 1 1 . . . . . . . . . 136 . HN parsed_6m6e 1
80 1 2 . . . . . . . . . 105 . O parsed_6m6e 1
81 1 1 . . . . . . . . . 116 . N parsed_6m6e 1
81 1 2 . . . . . . . . . 107 . O parsed_6m6e 1
82 1 1 . . . . . . . . . 116 . HN parsed_6m6e 1
82 1 2 . . . . . . . . . 107 . O parsed_6m6e 1
83 1 1 . . . . . . . . . 36 . N parsed_6m6e 1
83 1 2 . . . . . . . . . 40 . O parsed_6m6e 1
84 1 1 . . . . . . . . . 36 . HN parsed_6m6e 1
84 1 2 . . . . . . . . . 40 . O parsed_6m6e 1
85 1 1 . . . . . . . . . 39 . N parsed_6m6e 1
85 1 2 . . . . . . . . . 36 . O parsed_6m6e 1
86 1 1 . . . . . . . . . 39 . HN parsed_6m6e 1
86 1 2 . . . . . . . . . 36 . O parsed_6m6e 1
87 1 1 . . . . . . . . . 33 . N parsed_6m6e 1
87 1 2 . . . . . . . . . 21 . O parsed_6m6e 1
88 1 1 . . . . . . . . . 33 . HN parsed_6m6e 1
88 1 2 . . . . . . . . . 21 . O parsed_6m6e 1
89 1 1 . . . . . . . . . 97 . N parsed_6m6e 1
89 1 2 . . . . . . . . . 61 . O parsed_6m6e 1
90 1 1 . . . . . . . . . 97 . HN parsed_6m6e 1
90 1 2 . . . . . . . . . 61 . O parsed_6m6e 1
91 1 1 . . . . . . . . . 92 . N parsed_6m6e 1
91 1 2 . . . . . . . . . 89 . O parsed_6m6e 1
92 1 1 . . . . . . . . . 92 . HN parsed_6m6e 1
92 1 2 . . . . . . . . . 89 . O parsed_6m6e 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
2 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
3 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
4 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
5 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
6 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
7 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
8 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
9 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
10 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
11 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
12 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
13 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
14 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
15 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
16 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
17 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
18 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
19 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
20 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
21 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
22 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
23 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
24 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
25 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
26 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
27 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
28 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
29 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
30 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
31 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
32 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
33 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
34 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
35 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
36 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
37 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
38 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
39 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
40 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
41 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
42 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
43 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
44 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
45 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
46 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
47 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
48 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
49 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
50 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
51 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
52 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
53 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
54 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
55 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
56 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
57 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
58 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
59 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
60 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
61 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
62 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
63 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
64 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
65 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
66 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
67 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
68 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
69 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
70 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
71 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
72 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
73 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
74 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
75 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
76 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
77 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
78 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
79 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
80 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
81 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
82 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
83 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
84 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
85 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
86 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
87 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
88 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
89 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
90 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 1
91 1 . . . . . 3.3 2.5 3.5 parsed_6m6e 1
92 1 . . . . . 2.3 1.5 2.5 parsed_6m6e 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
;
hbonds
from hd_exchange
;
1 1 2 18 parsed_6m6e 1
2 !!TRY 3 77 3 83 parsed_6m6e 1
3 !!TRY 4 77 4 83 parsed_6m6e 1
4 "beta turn?" 13 77 13 88 parsed_6m6e 1
5 "beta turn?" 14 77 14 88 parsed_6m6e 1
6
;
assign (resid 65 and name N )(resid 93 and name O ) 3.3 0.8 0.2 !
assign (resid 65 and name HN )(resid 93 and name O ) 2.3 0.8 0.2 !
;
19 1 20 79 parsed_6m6e 1
7
;
assign (resid 67 and name N )(resid 72 and name O ) 3.3 0.8 0.2
assign (resid 67 and name HN )(resid 72 and name O ) 2.3 0.8 0.2
assign (resid 71 and name N )(resid 67 and name O ) 3.3 0.8 0.2 !
assign (resid 71 and name HN )(resid 67 and name O ) 2.3 0.8 0.2 !
assign (resid 72 and name N )(resid 67 and name O ) 3.3 0.8 0.2
assign (resid 72 and name HN )(resid 67 and name O ) 2.3 0.8 0.2
;
23 1 28 77 parsed_6m6e 1
8 !! 41 77 41 80 parsed_6m6e 1
9 !! 42 77 42 80 parsed_6m6e 1
10 !!! 45 77 45 81 parsed_6m6e 1
11 !!! 46 77 46 81 parsed_6m6e 1
12 "!from structure" 49 1 49 17 parsed_6m6e 1
13
;
!assign (resid 32 and name N )(resid 44 and name O ) 3.3 0.8 0.2 !!!unfit
!assign (resid 32 and name HN )(resid 44 and name O ) 2.3 0.8 0.2 !!!
!assign (resid 44 and name N )(resid 32 and name O ) 3.3 0.8 0.2
!assign (resid 44 and name HN )(resid 32 and name O ) 2.3 0.8 0.2
;
66 1 69 79 parsed_6m6e 1
14 ! 78 77 78 79 parsed_6m6e 1
15 ! 79 77 79 79 parsed_6m6e 1
16 ! 88 77 88 79 parsed_6m6e 1
17
;
!
!assign (resid 104 and name N )(resid 100 and name O ) 3.3 0.8 0.2 !!
!assign (resid 104 and name HN )(resid 100 and name O ) 2.3 0.8 0.2 !!
;
89 77 91 81 parsed_6m6e 1
18 ! 92 77 92 79 parsed_6m6e 1
19 ! 93 77 93 79 parsed_6m6e 1
20 ! 94 77 94 79 parsed_6m6e 1
21 ! 95 77 95 79 parsed_6m6e 1
22 ! 96 77 96 79 parsed_6m6e 1
23 ! 97 77 97 79 parsed_6m6e 1
24 ! 98 77 98 79 parsed_6m6e 1
25
;
!
!assign (resid 109 and name N )(resid 114 and name O ) 3.3 0.8 0.2
!assign (resid 109 and name HN )(resid 114 and name O ) 2.3 0.8 0.2
!assign (resid 113 and name N )(resid 109 and name O ) 3.3 0.8 0.2 !!!
!assign (resid 113 and name HN )(resid 109 and name O ) 2.3 0.8 0.2 !!!
;
99 77 103 82 parsed_6m6e 1
26 !! 104 77 104 80 parsed_6m6e 1
27 !! 105 77 105 80 parsed_6m6e 1
28 !! 106 77 106 80 parsed_6m6e 1
29 !! 107 77 107 80 parsed_6m6e 1
30 !! 108 77 108 80 parsed_6m6e 1
31 !! 109 77 109 80 parsed_6m6e 1
32 !!! 112 77 112 81 parsed_6m6e 1
33
;
!!!
!assign (resid 93 and name N )(resid 89 and name O ) 3.3 0.8 0.2 !!!!
!assign (resid 93 and name HN )(resid 89 and name O ) 2.3 0.8 0.2 !!!!
assign (resid 72 and name NE )(resid 37 and name O ) 3.3 0.8 0.2 !!!!!
assign (resid 72 and name HE )(resid 37 and name O ) 2.3 0.8 0.2 !!!!!
assign (resid 72 and name NH# )(resid 37 and name O ) 3.3 0.8 0.2 !!!!!
assign (resid 72 and name HH# )(resid 37 and name O ) 2.3 0.8 0.2 !!!!!
assign (resid 72 and name NH# )(resid 84 and name O ) 3.3 0.8 0.2 !!!!!
assign (resid 72 and name HH# )(resid 84 and name O ) 2.3 0.8 0.2 !!!!!
assign (resid 113 and name N )(resid 119 and name O ) 3.3 0.8 0.2 !!! TRY?
assign (resid 113 and name HN )(resid 119 and name O ) 2.3 0.8 0.2 !!! TRY?
;
113 77 126 86 parsed_6m6e 1
34
;
echo=true
wrnlev=5
;
132 1 133 16 parsed_6m6e 1
stop_
save_
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