NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
51451 |
2k78   |
15913 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 83 |
data_2k78_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k78
_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_2k78 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k78
_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 2k78 "Master copy" parsed_2k78
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k78
_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 2k78.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 2 distance NOE ambi 1533 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 208 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 83 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2k78 1
1 2k78.mr . . XPLOR/CNS 6 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2k78 1
1 2k78.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k78 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2k78
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_2k78 1
2 1 . . . parsed_2k78 1
3 1 . . . parsed_2k78 1
4 1 . . . parsed_2k78 1
5 1 . . . parsed_2k78 1
6 1 . . . parsed_2k78 1
7 1 . . . parsed_2k78 1
8 1 . . . parsed_2k78 1
9 1 . . . parsed_2k78 1
10 1 . . . parsed_2k78 1
11 1 . . . parsed_2k78 1
12 1 . . . parsed_2k78 1
13 1 . . . parsed_2k78 1
14 1 . . . parsed_2k78 1
15 1 . . . parsed_2k78 1
16 1 . . . parsed_2k78 1
17 1 . . . parsed_2k78 1
18 1 . . . parsed_2k78 1
19 1 . . . parsed_2k78 1
20 1 . . . parsed_2k78 1
21 1 . . . parsed_2k78 1
22 1 . . . parsed_2k78 1
23 1 . . . parsed_2k78 1
24 1 . . . parsed_2k78 1
25 1 . . . parsed_2k78 1
26 1 . . . parsed_2k78 1
27 1 . . . parsed_2k78 1
28 1 . . . parsed_2k78 1
29 1 . . . parsed_2k78 1
30 1 . . . parsed_2k78 1
31 1 . . . parsed_2k78 1
32 1 . . . parsed_2k78 1
33 1 . . . parsed_2k78 1
34 1 . . . parsed_2k78 1
35 1 . . . parsed_2k78 1
36 1 . . . parsed_2k78 1
37 1 . . . parsed_2k78 1
38 1 . . . parsed_2k78 1
39 1 . . . parsed_2k78 1
40 1 . . . parsed_2k78 1
41 1 . . . parsed_2k78 1
42 1 . . . parsed_2k78 1
43 1 . . . parsed_2k78 1
44 1 . . . parsed_2k78 1
45 1 . . . parsed_2k78 1
46 1 . . . parsed_2k78 1
47 1 . . . parsed_2k78 1
48 1 . . . parsed_2k78 1
49 1 . . . parsed_2k78 1
50 1 . . . parsed_2k78 1
51 1 . . . parsed_2k78 1
52 1 . . . parsed_2k78 1
53 1 . . . parsed_2k78 1
54 1 . . . parsed_2k78 1
55 1 . . . parsed_2k78 1
56 1 . . . parsed_2k78 1
57 1 . . . parsed_2k78 1
58 1 . . . parsed_2k78 1
59 1 . . . parsed_2k78 1
60 1 . . . parsed_2k78 1
61 1 . . . parsed_2k78 1
62 1 . . . parsed_2k78 1
63 1 . . . parsed_2k78 1
64 1 . . . parsed_2k78 1
65 1 . . . parsed_2k78 1
66 1 . . . parsed_2k78 1
67 1 . . . parsed_2k78 1
68 1 . . . parsed_2k78 1
69 1 . . . parsed_2k78 1
70 1 . . . parsed_2k78 1
71 1 . . . parsed_2k78 1
72 1 . . . parsed_2k78 1
73 1 . . . parsed_2k78 1
74 1 . . . parsed_2k78 1
75 1 . . . parsed_2k78 1
76 1 . . . parsed_2k78 1
77 1 . . . parsed_2k78 1
78 1 . . . parsed_2k78 1
79 1 . . . parsed_2k78 1
80 1 . . . parsed_2k78 1
81 1 . . . parsed_2k78 1
82 1 . . . parsed_2k78 1
83 1 . . . parsed_2k78 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 . . . . . . . . . 29 . o parsed_2k78 1
1 1 2 . . . . . . . . . 56 . n parsed_2k78 1
2 1 1 . . . . . . . . . 29 . o parsed_2k78 1
2 1 2 . . . . . . . . . 56 . hn parsed_2k78 1
3 1 1 . . . . . . . . . 56 . o parsed_2k78 1
3 1 2 . . . . . . . . . 29 . n parsed_2k78 1
4 1 1 . . . . . . . . . 56 . o parsed_2k78 1
4 1 2 . . . . . . . . . 29 . hn parsed_2k78 1
5 1 1 . . . . . . . . . 31 . o parsed_2k78 1
5 1 2 . . . . . . . . . 54 . n parsed_2k78 1
6 1 1 . . . . . . . . . 31 . o parsed_2k78 1
6 1 2 . . . . . . . . . 54 . hn parsed_2k78 1
7 1 1 . . . . . . . . . 54 . o parsed_2k78 1
7 1 2 . . . . . . . . . 31 . n parsed_2k78 1
8 1 1 . . . . . . . . . 54 . o parsed_2k78 1
8 1 2 . . . . . . . . . 31 . hn parsed_2k78 1
9 1 1 . . . . . . . . . 34 . o parsed_2k78 1
9 1 2 . . . . . . . . . 138 . n parsed_2k78 1
10 1 1 . . . . . . . . . 34 . o parsed_2k78 1
10 1 2 . . . . . . . . . 138 . hn parsed_2k78 1
11 1 1 . . . . . . . . . 138 . o parsed_2k78 1
11 1 2 . . . . . . . . . 34 . n parsed_2k78 1
12 1 1 . . . . . . . . . 138 . o parsed_2k78 1
12 1 2 . . . . . . . . . 34 . hn parsed_2k78 1
13 1 1 . . . . . . . . . 32 . o parsed_2k78 1
13 1 2 . . . . . . . . . 140 . n parsed_2k78 1
14 1 1 . . . . . . . . . 32 . o parsed_2k78 1
14 1 2 . . . . . . . . . 140 . hn parsed_2k78 1
15 1 1 . . . . . . . . . 140 . o parsed_2k78 1
15 1 2 . . . . . . . . . 32 . n parsed_2k78 1
16 1 1 . . . . . . . . . 140 . o parsed_2k78 1
16 1 2 . . . . . . . . . 32 . hn parsed_2k78 1
17 1 1 . . . . . . . . . 55 . o parsed_2k78 1
17 1 2 . . . . . . . . . 66 . n parsed_2k78 1
18 1 1 . . . . . . . . . 55 . o parsed_2k78 1
18 1 2 . . . . . . . . . 66 . hn parsed_2k78 1
19 1 1 . . . . . . . . . 66 . o parsed_2k78 1
19 1 2 . . . . . . . . . 55 . n parsed_2k78 1
20 1 1 . . . . . . . . . 66 . o parsed_2k78 1
20 1 2 . . . . . . . . . 55 . hn parsed_2k78 1
21 1 1 . . . . . . . . . 57 . o parsed_2k78 1
21 1 2 . . . . . . . . . 64 . n parsed_2k78 1
22 1 1 . . . . . . . . . 57 . o parsed_2k78 1
22 1 2 . . . . . . . . . 64 . hn parsed_2k78 1
23 1 1 . . . . . . . . . 64 . o parsed_2k78 1
23 1 2 . . . . . . . . . 57 . n parsed_2k78 1
24 1 1 . . . . . . . . . 64 . o parsed_2k78 1
24 1 2 . . . . . . . . . 57 . hn parsed_2k78 1
25 1 1 . . . . . . . . . 49 . o parsed_2k78 1
25 1 2 . . . . . . . . . 70 . n parsed_2k78 1
26 1 1 . . . . . . . . . 49 . o parsed_2k78 1
26 1 2 . . . . . . . . . 70 . hn parsed_2k78 1
27 1 1 . . . . . . . . . 91 . o parsed_2k78 1
27 1 2 . . . . . . . . . 96 . n parsed_2k78 1
28 1 1 . . . . . . . . . 91 . o parsed_2k78 1
28 1 2 . . . . . . . . . 96 . hn parsed_2k78 1
29 1 1 . . . . . . . . . 84 . HA parsed_2k78 1
29 1 2 . . . . . . . . . 79 . HA parsed_2k78 1
30 1 1 . . . . . . . . . 101 . o parsed_2k78 1
30 1 2 . . . . . . . . . 65 . n parsed_2k78 1
31 1 1 . . . . . . . . . 101 . o parsed_2k78 1
31 1 2 . . . . . . . . . 65 . hn parsed_2k78 1
32 1 1 . . . . . . . . . 65 . o parsed_2k78 1
32 1 2 . . . . . . . . . 101 . n parsed_2k78 1
33 1 1 . . . . . . . . . 65 . o parsed_2k78 1
33 1 2 . . . . . . . . . 101 . hn parsed_2k78 1
34 1 1 . . . . . . . . . 99 . o parsed_2k78 1
34 1 2 . . . . . . . . . 67 . n parsed_2k78 1
35 1 1 . . . . . . . . . 99 . o parsed_2k78 1
35 1 2 . . . . . . . . . 67 . hn parsed_2k78 1
36 1 1 . . . . . . . . . 67 . o parsed_2k78 1
36 1 2 . . . . . . . . . 99 . n parsed_2k78 1
37 1 1 . . . . . . . . . 67 . o parsed_2k78 1
37 1 2 . . . . . . . . . 99 . hn parsed_2k78 1
38 1 1 . . . . . . . . . 97 . o parsed_2k78 1
38 1 2 . . . . . . . . . 69 . n parsed_2k78 1
39 1 1 . . . . . . . . . 97 . o parsed_2k78 1
39 1 2 . . . . . . . . . 69 . hn parsed_2k78 1
40 1 1 . . . . . . . . . 69 . o parsed_2k78 1
40 1 2 . . . . . . . . . 97 . n parsed_2k78 1
41 1 1 . . . . . . . . . 69 . o parsed_2k78 1
41 1 2 . . . . . . . . . 97 . hn parsed_2k78 1
42 1 1 . . . . . . . . . 139 . o parsed_2k78 1
42 1 2 . . . . . . . . . 108 . n parsed_2k78 1
43 1 1 . . . . . . . . . 139 . o parsed_2k78 1
43 1 2 . . . . . . . . . 108 . hn parsed_2k78 1
44 1 1 . . . . . . . . . 108 . o parsed_2k78 1
44 1 2 . . . . . . . . . 139 . n parsed_2k78 1
45 1 1 . . . . . . . . . 108 . o parsed_2k78 1
45 1 2 . . . . . . . . . 139 . hn parsed_2k78 1
46 1 1 . . . . . . . . . 137 . o parsed_2k78 1
46 1 2 . . . . . . . . . 110 . n parsed_2k78 1
47 1 1 . . . . . . . . . 137 . o parsed_2k78 1
47 1 2 . . . . . . . . . 110 . hn parsed_2k78 1
48 1 1 . . . . . . . . . 110 . o parsed_2k78 1
48 1 2 . . . . . . . . . 137 . n parsed_2k78 1
49 1 1 . . . . . . . . . 110 . o parsed_2k78 1
49 1 2 . . . . . . . . . 137 . hn parsed_2k78 1
50 1 1 . . . . . . . . . 135 . o parsed_2k78 1
50 1 2 . . . . . . . . . 112 . n parsed_2k78 1
51 1 1 . . . . . . . . . 135 . o parsed_2k78 1
51 1 2 . . . . . . . . . 112 . hn parsed_2k78 1
52 1 1 . . . . . . . . . 112 . o parsed_2k78 1
52 1 2 . . . . . . . . . 135 . n parsed_2k78 1
53 1 1 . . . . . . . . . 112 . o parsed_2k78 1
53 1 2 . . . . . . . . . 135 . hn parsed_2k78 1
54 1 1 . . . . . . . . . 133 . o parsed_2k78 1
54 1 2 . . . . . . . . . 114 . n parsed_2k78 1
55 1 1 . . . . . . . . . 133 . o parsed_2k78 1
55 1 2 . . . . . . . . . 114 . hn parsed_2k78 1
56 1 1 . . . . . . . . . 114 . o parsed_2k78 1
56 1 2 . . . . . . . . . 133 . n parsed_2k78 1
57 1 1 . . . . . . . . . 114 . o parsed_2k78 1
57 1 2 . . . . . . . . . 133 . hn parsed_2k78 1
58 1 1 . . . . . . . . . 131 . o parsed_2k78 1
58 1 2 . . . . . . . . . 116 . n parsed_2k78 1
59 1 1 . . . . . . . . . 131 . o parsed_2k78 1
59 1 2 . . . . . . . . . 116 . hn parsed_2k78 1
60 1 1 . . . . . . . . . 116 . o parsed_2k78 1
60 1 2 . . . . . . . . . 131 . n parsed_2k78 1
61 1 1 . . . . . . . . . 116 . o parsed_2k78 1
61 1 2 . . . . . . . . . 131 . hn parsed_2k78 1
62 1 1 . . . . . . . . . 129 . o parsed_2k78 1
62 1 2 . . . . . . . . . 118 . n parsed_2k78 1
63 1 1 . . . . . . . . . 129 . o parsed_2k78 1
63 1 2 . . . . . . . . . 118 . hn parsed_2k78 1
64 1 1 . . . . . . . . . 118 . o parsed_2k78 1
64 1 2 . . . . . . . . . 129 . n parsed_2k78 1
65 1 1 . . . . . . . . . 118 . o parsed_2k78 1
65 1 2 . . . . . . . . . 129 . hn parsed_2k78 1
66 1 1 . . . . . . . . . 127 . o parsed_2k78 1
66 1 2 . . . . . . . . . 120 . n parsed_2k78 1
67 1 1 . . . . . . . . . 127 . o parsed_2k78 1
67 1 2 . . . . . . . . . 120 . hn parsed_2k78 1
68 1 1 . . . . . . . . . 120 . o parsed_2k78 1
68 1 2 . . . . . . . . . 127 . n parsed_2k78 1
69 1 1 . . . . . . . . . 120 . o parsed_2k78 1
69 1 2 . . . . . . . . . 127 . hn parsed_2k78 1
70 1 1 . . . . . . . . . 115 . o parsed_2k78 1
70 1 2 . . . . . . . . . 77 . n parsed_2k78 1
71 1 1 . . . . . . . . . 115 . o parsed_2k78 1
71 1 2 . . . . . . . . . 77 . hn parsed_2k78 1
72 1 1 . . . . . . . . . 77 . o parsed_2k78 1
72 1 2 . . . . . . . . . 115 . n parsed_2k78 1
73 1 1 . . . . . . . . . 77 . o parsed_2k78 1
73 1 2 . . . . . . . . . 115 . hn parsed_2k78 1
74 1 1 . . . . . . . . . 113 . o parsed_2k78 1
74 1 2 . . . . . . . . . 79 . n parsed_2k78 1
75 1 1 . . . . . . . . . 113 . o parsed_2k78 1
75 1 2 . . . . . . . . . 79 . hn parsed_2k78 1
76 1 1 . . . . . . . . . 79 . o parsed_2k78 1
76 1 2 . . . . . . . . . 113 . n parsed_2k78 1
77 1 1 . . . . . . . . . 79 . o parsed_2k78 1
77 1 2 . . . . . . . . . 113 . hn parsed_2k78 1
78 1 1 . . . . . . . . . 74 . o parsed_2k78 1
78 1 2 . . . . . . . . . 117 . n parsed_2k78 1
79 1 1 . . . . . . . . . 74 . o parsed_2k78 1
79 1 2 . . . . . . . . . 117 . hn parsed_2k78 1
80 1 1 . . . . . . . . . 95 . o parsed_2k78 1
80 1 2 . . . . . . . . . 71 . n parsed_2k78 1
81 1 1 . . . . . . . . . 95 . o parsed_2k78 1
81 1 2 . . . . . . . . . 71 . hn parsed_2k78 1
82 1 1 . . . . . . . . . 46 . o parsed_2k78 1
82 1 2 . . . . . . . . . 49 . n parsed_2k78 1
83 1 1 . . . . . . . . . 46 . o parsed_2k78 1
83 1 2 . . . . . . . . . 49 . hn parsed_2k78 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 2.3 3.5 parsed_2k78 1
2 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
3 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
4 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
5 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
6 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
7 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
8 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
9 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
10 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
11 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
12 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
13 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
14 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
15 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
16 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
17 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
18 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
19 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
20 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
21 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
22 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
23 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
24 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
25 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
26 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
27 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
28 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
29 1 . . . . . 3.8 1.8 3.8 parsed_2k78 1
30 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
31 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
32 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
33 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
34 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
35 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
36 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
37 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
38 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
39 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
40 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
41 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
42 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
43 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
44 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
45 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
46 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
47 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
48 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
49 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
50 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
51 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
52 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
53 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
54 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
55 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
56 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
57 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
58 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
59 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
60 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
61 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
62 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
63 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
64 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
65 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
66 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
67 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
68 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
69 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
70 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
71 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
72 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
73 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
74 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
75 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
76 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
77 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
78 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
79 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
80 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
81 1 . . . . . 2.3 1.3 2.5 parsed_2k78 1
82 1 . . . . . 3.3 2.3 3.5 parsed_2k78 1
83 1 . . . . . 2.3 1.3 2.5 parsed_2k78 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 that were found in 70% or more structures or more
3.3/90 degrees
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
EXPECTED B1A-B2(OK)//B1B-B8(OK)//B8-B7(OK)//B7-B4(OK BUT WEAK)//B6-B5(OK)/B6-B3(OK)/B3-B4/B2-B3(OK)
#################################################################
BETA B1A and B2
Validated ith NOES
#################################################################
Based on Ca NOE between residues 30 and 55, adn 57 and 28
;
2 1 12 59 parsed_2k78 1
2
;
#################################################################
BETA B1B and B8
Validated with NOES
#################################################################
;
22 1 26 67 parsed_2k78 1
3 "added 07/19/07" 31 1 32 16 parsed_2k78 1
4
;
!
#################################################################
#################################################################
BETA B2 and B3
Validated ith NOES
#################################################################
;
37 1 42 67 parsed_2k78 1
5
;
#################################################################
#################################################################
BETA B4 and B7 (See B7 to B4 below)
#################################################################
#################################################################
BETA B5 and B6
;
55 1 61 16 parsed_2k78 1
6
;
#################################################################
#################################################################
BETA B5 and B4
Strong HAHA NOE BETWEEN 84-79 (not assigned by CANDID
;
64 1 68 55 parsed_2k78 1
7
;
BETA B6 and B3
Validated with NOES.
#################################################################
;
70 1 73 67 parsed_2k78 1
8
;
#################################################################
BETA B7 and B8
Validated with NOES.
#################################################################
;
88 1 92 67 parsed_2k78 1
9
;
#################################################################
BETA B7 and B4
Validated with NOES. (limited contacts)
Appears to poor alignment with IsdH
HA-HA NOES BETWEEN 74/118, 78/114, 80,112 (missing 76/116)
#################################################################
;
130 1 137 2 parsed_2k78 1
10 "Based on xtal structure and NMR ensemble 9/9/07" 147 1 148 49 parsed_2k78 1
11 "bASED ON ENSEMBLE 9/9/07" 151 1 152 26 parsed_2k78 1
12
;
#################################################################
SHORT HEME HELIX
#################################################################
;
155 1 158 67 parsed_2k78 1
stop_
save_
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