NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
37243 |
1p89   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 82 |
data_1p89_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1p89
_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_1p89 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1p89
_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 1p89 "Master copy" parsed_1p89
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1p89
_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 1p89.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1p89 1
1 1p89.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 82 parsed_1p89 1
1 1p89.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_1p89 1
1 1p89.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1p89 1
1 1p89.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_1p89 1
1 1p89.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1p89 1
1 1p89.mr . . XPLOR/CNS 7 distance NOE simple 0 parsed_1p89 1
1 1p89.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1p89 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1p89
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1p89 1
2 1 . . . parsed_1p89 1
3 1 . . . parsed_1p89 1
4 1 . . . parsed_1p89 1
5 1 . . . parsed_1p89 1
6 1 . . . parsed_1p89 1
7 1 . . . parsed_1p89 1
8 1 . . . parsed_1p89 1
9 1 . . . parsed_1p89 1
10 1 . . . parsed_1p89 1
11 1 . . . parsed_1p89 1
12 1 . . . parsed_1p89 1
13 1 . . . parsed_1p89 1
14 1 . . . parsed_1p89 1
15 1 . . . parsed_1p89 1
16 1 . . . parsed_1p89 1
17 1 . . . parsed_1p89 1
18 1 . . . parsed_1p89 1
19 1 . . . parsed_1p89 1
20 1 . . . parsed_1p89 1
21 1 . . . parsed_1p89 1
22 1 . . . parsed_1p89 1
23 1 . . . parsed_1p89 1
24 1 . . . parsed_1p89 1
25 1 . . . parsed_1p89 1
26 1 . . . parsed_1p89 1
27 1 . . . parsed_1p89 1
28 1 . . . parsed_1p89 1
29 1 . . . parsed_1p89 1
30 1 . . . parsed_1p89 1
31 1 . . . parsed_1p89 1
32 1 . . . parsed_1p89 1
33 1 . . . parsed_1p89 1
34 1 . . . parsed_1p89 1
35 1 . . . parsed_1p89 1
36 1 . . . parsed_1p89 1
37 1 . . . parsed_1p89 1
38 1 . . . parsed_1p89 1
39 1 . . . parsed_1p89 1
40 1 . . . parsed_1p89 1
41 1 . . . parsed_1p89 1
42 1 . . . parsed_1p89 1
43 1 . . . parsed_1p89 1
44 1 . . . parsed_1p89 1
45 1 . . . parsed_1p89 1
46 1 . . . parsed_1p89 1
47 1 . . . parsed_1p89 1
48 1 . . . parsed_1p89 1
49 1 . . . parsed_1p89 1
50 1 . . . parsed_1p89 1
51 1 . . . parsed_1p89 1
52 1 . . . parsed_1p89 1
53 1 . . . parsed_1p89 1
54 1 . . . parsed_1p89 1
55 1 . . . parsed_1p89 1
56 1 . . . parsed_1p89 1
57 1 . . . parsed_1p89 1
58 1 . . . parsed_1p89 1
59 1 . . . parsed_1p89 1
60 1 . . . parsed_1p89 1
61 1 . . . parsed_1p89 1
62 1 . . . parsed_1p89 1
63 1 . . . parsed_1p89 1
64 1 . . . parsed_1p89 1
65 1 . . . parsed_1p89 1
66 1 . . . parsed_1p89 1
67 1 . . . parsed_1p89 1
68 1 . . . parsed_1p89 1
69 1 . . . parsed_1p89 1
70 1 . . . parsed_1p89 1
71 1 . . . parsed_1p89 1
72 1 . . . parsed_1p89 1
73 1 . . . parsed_1p89 1
74 1 . . . parsed_1p89 1
75 1 . . . parsed_1p89 1
76 1 . . . parsed_1p89 1
77 1 . . . parsed_1p89 1
78 1 . . . parsed_1p89 1
79 1 . . . parsed_1p89 1
80 1 . . . parsed_1p89 1
81 1 . . . parsed_1p89 1
82 1 . . . parsed_1p89 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 . HN parsed_1p89 1
1 1 2 . . . . . . . . . 25 . O parsed_1p89 1
2 1 1 . . . . . . . . . 29 . N parsed_1p89 1
2 1 2 . . . . . . . . . 25 . O parsed_1p89 1
3 1 1 . . . . . . . . . 30 . HN parsed_1p89 1
3 1 2 . . . . . . . . . 26 . O parsed_1p89 1
4 1 1 . . . . . . . . . 30 . N parsed_1p89 1
4 1 2 . . . . . . . . . 26 . O parsed_1p89 1
5 1 1 . . . . . . . . . 31 . HN parsed_1p89 1
5 1 2 . . . . . . . . . 27 . O parsed_1p89 1
6 1 1 . . . . . . . . . 31 . N parsed_1p89 1
6 1 2 . . . . . . . . . 27 . O parsed_1p89 1
7 1 1 . . . . . . . . . 32 . HN parsed_1p89 1
7 1 2 . . . . . . . . . 28 . O parsed_1p89 1
8 1 1 . . . . . . . . . 32 . N parsed_1p89 1
8 1 2 . . . . . . . . . 28 . O parsed_1p89 1
9 1 1 . . . . . . . . . 33 . HN parsed_1p89 1
9 1 2 . . . . . . . . . 29 . O parsed_1p89 1
10 1 1 . . . . . . . . . 33 . N parsed_1p89 1
10 1 2 . . . . . . . . . 29 . O parsed_1p89 1
11 1 1 . . . . . . . . . 34 . HN parsed_1p89 1
11 1 2 . . . . . . . . . 30 . O parsed_1p89 1
12 1 1 . . . . . . . . . 34 . N parsed_1p89 1
12 1 2 . . . . . . . . . 30 . O parsed_1p89 1
13 1 1 . . . . . . . . . 35 . HN parsed_1p89 1
13 1 2 . . . . . . . . . 31 . O parsed_1p89 1
14 1 1 . . . . . . . . . 35 . N parsed_1p89 1
14 1 2 . . . . . . . . . 31 . O parsed_1p89 1
15 1 1 . . . . . . . . . 39 . HN parsed_1p89 1
15 1 2 . . . . . . . . . 75 . O parsed_1p89 1
16 1 1 . . . . . . . . . 39 . N parsed_1p89 1
16 1 2 . . . . . . . . . 75 . O parsed_1p89 1
17 1 1 . . . . . . . . . 41 . HN parsed_1p89 1
17 1 2 . . . . . . . . . 73 . O parsed_1p89 1
18 1 1 . . . . . . . . . 41 . N parsed_1p89 1
18 1 2 . . . . . . . . . 73 . O parsed_1p89 1
19 1 1 . . . . . . . . . 54 . HN parsed_1p89 1
19 1 2 . . . . . . . . . 50 . O parsed_1p89 1
20 1 1 . . . . . . . . . 54 . N parsed_1p89 1
20 1 2 . . . . . . . . . 50 . O parsed_1p89 1
21 1 1 . . . . . . . . . 55 . HN parsed_1p89 1
21 1 2 . . . . . . . . . 51 . O parsed_1p89 1
22 1 1 . . . . . . . . . 55 . N parsed_1p89 1
22 1 2 . . . . . . . . . 51 . O parsed_1p89 1
23 1 1 . . . . . . . . . 57 . HN parsed_1p89 1
23 1 2 . . . . . . . . . 53 . O parsed_1p89 1
24 1 1 . . . . . . . . . 57 . N parsed_1p89 1
24 1 2 . . . . . . . . . 53 . O parsed_1p89 1
25 1 1 . . . . . . . . . 60 . HN parsed_1p89 1
25 1 2 . . . . . . . . . 56 . O parsed_1p89 1
26 1 1 . . . . . . . . . 60 . N parsed_1p89 1
26 1 2 . . . . . . . . . 56 . O parsed_1p89 1
27 1 1 . . . . . . . . . 62 . HN parsed_1p89 1
27 1 2 . . . . . . . . . 57 . O parsed_1p89 1
28 1 1 . . . . . . . . . 62 . N parsed_1p89 1
28 1 2 . . . . . . . . . 57 . O parsed_1p89 1
29 1 1 . . . . . . . . . 75 . HN parsed_1p89 1
29 1 2 . . . . . . . . . 39 . O parsed_1p89 1
30 1 1 . . . . . . . . . 75 . N parsed_1p89 1
30 1 2 . . . . . . . . . 39 . O parsed_1p89 1
31 1 1 . . . . . . . . . 105 . HN parsed_1p89 1
31 1 2 . . . . . . . . . 101 . O parsed_1p89 1
32 1 1 . . . . . . . . . 105 . N parsed_1p89 1
32 1 2 . . . . . . . . . 101 . O parsed_1p89 1
33 1 1 . . . . . . . . . 114 . HN parsed_1p89 1
33 1 2 . . . . . . . . . 88 . O parsed_1p89 1
34 1 1 . . . . . . . . . 114 . N parsed_1p89 1
34 1 2 . . . . . . . . . 88 . O parsed_1p89 1
35 1 1 . . . . . . . . . 116 . HN parsed_1p89 1
35 1 2 . . . . . . . . . 90 . O parsed_1p89 1
36 1 1 . . . . . . . . . 116 . N parsed_1p89 1
36 1 2 . . . . . . . . . 90 . O parsed_1p89 1
37 1 1 . . . . . . . . . 130 . HN parsed_1p89 1
37 1 2 . . . . . . . . . 126 . O parsed_1p89 1
38 1 1 . . . . . . . . . 130 . N parsed_1p89 1
38 1 2 . . . . . . . . . 126 . O parsed_1p89 1
39 1 1 . . . . . . . . . 133 . HN parsed_1p89 1
39 1 2 . . . . . . . . . 129 . O parsed_1p89 1
40 1 1 . . . . . . . . . 133 . N parsed_1p89 1
40 1 2 . . . . . . . . . 129 . O parsed_1p89 1
41 1 1 . . . . . . . . . 134 . HN parsed_1p89 1
41 1 2 . . . . . . . . . 130 . O parsed_1p89 1
42 1 1 . . . . . . . . . 134 . N parsed_1p89 1
42 1 2 . . . . . . . . . 130 . O parsed_1p89 1
43 1 1 . . . . . . . . . 148 . HN parsed_1p89 1
43 1 2 . . . . . . . . . 145 . O parsed_1p89 1
44 1 1 . . . . . . . . . 148 . N parsed_1p89 1
44 1 2 . . . . . . . . . 145 . O parsed_1p89 1
45 1 1 . . . . . . . . . 154 . HN parsed_1p89 1
45 1 2 . . . . . . . . . 139 . O parsed_1p89 1
46 1 1 . . . . . . . . . 154 . N parsed_1p89 1
46 1 2 . . . . . . . . . 139 . O parsed_1p89 1
47 1 1 . . . . . . . . . 162 . HN parsed_1p89 1
47 1 2 . . . . . . . . . 188 . O parsed_1p89 1
48 1 1 . . . . . . . . . 162 . N parsed_1p89 1
48 1 2 . . . . . . . . . 188 . O parsed_1p89 1
49 1 1 . . . . . . . . . 177 . HN parsed_1p89 1
49 1 2 . . . . . . . . . 173 . O parsed_1p89 1
50 1 1 . . . . . . . . . 177 . N parsed_1p89 1
50 1 2 . . . . . . . . . 173 . O parsed_1p89 1
51 1 1 . . . . . . . . . 179 . HN parsed_1p89 1
51 1 2 . . . . . . . . . 175 . O parsed_1p89 1
52 1 1 . . . . . . . . . 179 . N parsed_1p89 1
52 1 2 . . . . . . . . . 175 . O parsed_1p89 1
53 1 1 . . . . . . . . . 180 . HN parsed_1p89 1
53 1 2 . . . . . . . . . 176 . O parsed_1p89 1
54 1 1 . . . . . . . . . 180 . N parsed_1p89 1
54 1 2 . . . . . . . . . 176 . O parsed_1p89 1
55 1 1 . . . . . . . . . 182 . HN parsed_1p89 1
55 1 2 . . . . . . . . . 179 . O parsed_1p89 1
56 1 1 . . . . . . . . . 182 . N parsed_1p89 1
56 1 2 . . . . . . . . . 179 . O parsed_1p89 1
57 1 1 . . . . . . . . . 183 . HN parsed_1p89 1
57 1 2 . . . . . . . . . 180 . O parsed_1p89 1
58 1 1 . . . . . . . . . 183 . N parsed_1p89 1
58 1 2 . . . . . . . . . 180 . O parsed_1p89 1
59 1 1 . . . . . . . . . 185 . HN parsed_1p89 1
59 1 2 . . . . . . . . . 158 . O parsed_1p89 1
60 1 1 . . . . . . . . . 185 . N parsed_1p89 1
60 1 2 . . . . . . . . . 158 . O parsed_1p89 1
61 1 1 . . . . . . . . . 187 . HN parsed_1p89 1
61 1 2 . . . . . . . . . 225 . O parsed_1p89 1
62 1 1 . . . . . . . . . 187 . N parsed_1p89 1
62 1 2 . . . . . . . . . 225 . O parsed_1p89 1
63 1 1 . . . . . . . . . 189 . HN parsed_1p89 1
63 1 2 . . . . . . . . . 223 . O parsed_1p89 1
64 1 1 . . . . . . . . . 189 . N parsed_1p89 1
64 1 2 . . . . . . . . . 223 . O parsed_1p89 1
65 1 1 . . . . . . . . . 190 . HN parsed_1p89 1
65 1 2 . . . . . . . . . 162 . O parsed_1p89 1
66 1 1 . . . . . . . . . 190 . N parsed_1p89 1
66 1 2 . . . . . . . . . 162 . O parsed_1p89 1
67 1 1 . . . . . . . . . 204 . HN parsed_1p89 1
67 1 2 . . . . . . . . . 200 . O parsed_1p89 1
68 1 1 . . . . . . . . . 204 . N parsed_1p89 1
68 1 2 . . . . . . . . . 200 . O parsed_1p89 1
69 1 1 . . . . . . . . . 208 . HN parsed_1p89 1
69 1 2 . . . . . . . . . 204 . O parsed_1p89 1
70 1 1 . . . . . . . . . 208 . N parsed_1p89 1
70 1 2 . . . . . . . . . 204 . O parsed_1p89 1
71 1 1 . . . . . . . . . 209 . HN parsed_1p89 1
71 1 2 . . . . . . . . . 205 . O parsed_1p89 1
72 1 1 . . . . . . . . . 209 . N parsed_1p89 1
72 1 2 . . . . . . . . . 205 . O parsed_1p89 1
73 1 1 . . . . . . . . . 210 . HN parsed_1p89 1
73 1 2 . . . . . . . . . 206 . O parsed_1p89 1
74 1 1 . . . . . . . . . 210 . N parsed_1p89 1
74 1 2 . . . . . . . . . 206 . O parsed_1p89 1
75 1 1 . . . . . . . . . 211 . HN parsed_1p89 1
75 1 2 . . . . . . . . . 207 . O parsed_1p89 1
76 1 1 . . . . . . . . . 211 . N parsed_1p89 1
76 1 2 . . . . . . . . . 207 . O parsed_1p89 1
77 1 1 . . . . . . . . . 225 . HN parsed_1p89 1
77 1 2 . . . . . . . . . 187 . O parsed_1p89 1
78 1 1 . . . . . . . . . 225 . N parsed_1p89 1
78 1 2 . . . . . . . . . 187 . O parsed_1p89 1
79 1 1 . . . . . . . . . 229 . HN parsed_1p89 1
79 1 2 . . . . . . . . . 181 . O parsed_1p89 1
80 1 1 . . . . . . . . . 229 . N parsed_1p89 1
80 1 2 . . . . . . . . . 181 . O parsed_1p89 1
81 1 1 . . . . . . . . . 232 . HN parsed_1p89 1
81 1 2 . . . . . . . . . 211 . O parsed_1p89 1
82 1 1 . . . . . . . . . 232 . N parsed_1p89 1
82 1 2 . . . . . . . . . 211 . O parsed_1p89 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 . . . . . 2.1 1.5 2.6 parsed_1p89 1
2 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
3 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
4 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
5 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
6 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
7 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
8 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
9 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
10 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
11 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
12 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
13 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
14 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
15 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
16 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
17 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
18 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
19 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
20 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
21 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
22 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
23 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
24 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
25 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
26 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
27 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
28 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
29 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
30 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
31 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
32 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
33 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
34 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
35 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
36 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
37 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
38 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
39 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
40 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
41 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
42 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
43 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
44 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
45 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
46 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
47 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
48 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
49 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
50 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
51 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
52 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
53 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
54 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
55 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
56 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
57 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
58 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
59 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
60 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
61 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
62 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
63 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
64 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
65 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
66 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
67 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
68 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
69 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
70 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
71 1 . . . . . 2.1 1.5 3.1 parsed_1p89 1
72 1 . . . . . 3.0 2.5 4.0 parsed_1p89 1
73 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
74 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
75 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
76 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
77 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
78 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
79 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
80 1 . . . . . 3.0 2.5 3.5 parsed_1p89 1
81 1 . . . . . 2.1 1.5 2.6 parsed_1p89 1
82 1 . . . . . 3.0 2.5 3.5 parsed_1p89 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
;
H-Bonds (37)
Completed for the Nterm+S3P data 001221
comments are self-explanatory; where no comment is given, the data was
the same for both Nterm and Nterm+S3P data
class hbond
res 29 new to S3P data
;
2 1 9 24 parsed_1p89 1
2 "res 30 new to S3P data" 13 1 13 24 parsed_1p89 1
3 "res 31 not in S3P data" 17 1 17 24 parsed_1p89 1
4 "res 35 not in S3P data" 30 1 30 24 parsed_1p89 1
5 "res 54 new to S3P data" 40 1 40 24 parsed_1p89 1
6 "res 55 new to S3P data" 44 1 44 24 parsed_1p89 1
7 "res 62 new to S3P data" 54 1 54 24 parsed_1p89 1
8 "res 105 new to S3P data" 61 1 61 25 parsed_1p89 1
9 "res 114 new to S3P data" 65 1 65 25 parsed_1p89 1
10 "res 116 new to S3P data" 69 1 69 25 parsed_1p89 1
11 "res 130 new to S3P data" 73 1 73 25 parsed_1p89 1
12 "res 133 new to S3P data" 77 1 77 25 parsed_1p89 1
13 "res 134 new to S3P data" 81 1 81 25 parsed_1p89 1
14 "res 148 new to S3P data" 85 1 85 25 parsed_1p89 1
15 "res 154 new to S3P data" 89 1 89 25 parsed_1p89 1
16 "res 162 new to S3P data" 93 1 93 25 parsed_1p89 1
17 "res 177 not in S3P data" 97 1 97 25 parsed_1p89 1
18
;
res 178 not in S3P data
assign (resid 178 and name HN)(resid 174 and name O ) 2.1 0.6 0.7
assign (resid 178 and name N)(resid 174 and name O ) 3.0 0.5 0.7
;
101 1 103 73 parsed_1p89 1
19 "res 180 not in S3P data" 108 1 108 25 parsed_1p89 1
20 "res 185 not in S3P data" 118 1 118 25 parsed_1p89 1
21 "res 190 new to S3P data" 128 1 128 25 parsed_1p89 1
22 "res 204 new to S3P data" 132 1 132 25 parsed_1p89 1
23 "res 208 new to S3P data" 136 1 136 25 parsed_1p89 1
24 "res 209 new to S3P data" 140 1 140 25 parsed_1p89 1
25 "res 210 new to S3P data" 144 1 144 25 parsed_1p89 1
26 "res 211-207 new to S3P data" 148 1 148 29 parsed_1p89 1
27 "res 229 not in S3P data" 155 1 155 25 parsed_1p89 1
28 "res 232 new to S3P data" 159 1 159 25 parsed_1p89 1
stop_
save_
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