NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
607703 |
2n9u   |
25918 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 86 |
data_2n9u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n9u
_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_2n9u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n9u
_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 2n9u "Master copy" parsed_2n9u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n9u
_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 2n9u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n9u 1
1 2n9u.mr . . XPLOR/CNS 2 distance NOE ambi 2719 parsed_2n9u 1
1 2n9u.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 195 parsed_2n9u 1
1 2n9u.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 86 parsed_2n9u 1
1 2n9u.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n9u 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n9u
_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_2n9u 1
2 1 . . . parsed_2n9u 1
3 1 . . . parsed_2n9u 1
4 1 . . . parsed_2n9u 1
5 1 . . . parsed_2n9u 1
6 1 . . . parsed_2n9u 1
7 1 . . . parsed_2n9u 1
8 1 . . . parsed_2n9u 1
9 1 . . . parsed_2n9u 1
10 1 . . . parsed_2n9u 1
11 1 . . . parsed_2n9u 1
12 1 . . . parsed_2n9u 1
13 1 . . . parsed_2n9u 1
14 1 . . . parsed_2n9u 1
15 1 . . . parsed_2n9u 1
16 1 . . . parsed_2n9u 1
17 1 . . . parsed_2n9u 1
18 1 . . . parsed_2n9u 1
19 1 . . . parsed_2n9u 1
20 1 . . . parsed_2n9u 1
21 1 . . . parsed_2n9u 1
22 1 . . . parsed_2n9u 1
23 1 . . . parsed_2n9u 1
24 1 . . . parsed_2n9u 1
25 1 . . . parsed_2n9u 1
26 1 . . . parsed_2n9u 1
27 1 . . . parsed_2n9u 1
28 1 . . . parsed_2n9u 1
29 1 . . . parsed_2n9u 1
30 1 . . . parsed_2n9u 1
31 1 . . . parsed_2n9u 1
32 1 . . . parsed_2n9u 1
33 1 . . . parsed_2n9u 1
34 1 . . . parsed_2n9u 1
35 1 . . . parsed_2n9u 1
36 1 . . . parsed_2n9u 1
37 1 . . . parsed_2n9u 1
38 1 . . . parsed_2n9u 1
39 1 . . . parsed_2n9u 1
40 1 . . . parsed_2n9u 1
41 1 . . . parsed_2n9u 1
42 1 . . . parsed_2n9u 1
43 1 . . . parsed_2n9u 1
44 1 . . . parsed_2n9u 1
45 1 . . . parsed_2n9u 1
46 1 . . . parsed_2n9u 1
47 1 . . . parsed_2n9u 1
48 1 . . . parsed_2n9u 1
49 1 . . . parsed_2n9u 1
50 1 . . . parsed_2n9u 1
51 1 . . . parsed_2n9u 1
52 1 . . . parsed_2n9u 1
53 1 . . . parsed_2n9u 1
54 1 . . . parsed_2n9u 1
55 1 . . . parsed_2n9u 1
56 1 . . . parsed_2n9u 1
57 1 . . . parsed_2n9u 1
58 1 . . . parsed_2n9u 1
59 1 . . . parsed_2n9u 1
60 1 . . . parsed_2n9u 1
61 1 . . . parsed_2n9u 1
62 1 . . . parsed_2n9u 1
63 1 . . . parsed_2n9u 1
64 1 . . . parsed_2n9u 1
65 1 . . . parsed_2n9u 1
66 1 . . . parsed_2n9u 1
67 1 . . . parsed_2n9u 1
68 1 . . . parsed_2n9u 1
69 1 . . . parsed_2n9u 1
70 1 . . . parsed_2n9u 1
71 1 . . . parsed_2n9u 1
72 1 . . . parsed_2n9u 1
73 1 . . . parsed_2n9u 1
74 1 . . . parsed_2n9u 1
75 1 . . . parsed_2n9u 1
76 1 . . . parsed_2n9u 1
77 1 . . . parsed_2n9u 1
78 1 . . . parsed_2n9u 1
79 1 . . . parsed_2n9u 1
80 1 . . . parsed_2n9u 1
81 1 . . . parsed_2n9u 1
82 1 . . . parsed_2n9u 1
83 1 . . . parsed_2n9u 1
84 1 . . . parsed_2n9u 1
85 1 . . . parsed_2n9u 1
86 1 . . . parsed_2n9u 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 . . . . . . . . . 168 . HN parsed_2n9u 1
1 1 2 . . . . . . . . . 143 . O parsed_2n9u 1
2 1 1 . . . . . . . . . 168 . N parsed_2n9u 1
2 1 2 . . . . . . . . . 143 . O parsed_2n9u 1
3 1 1 . . . . . . . . . 189 . HN parsed_2n9u 1
3 1 2 . . . . . . . . . 144 . O parsed_2n9u 1
4 1 1 . . . . . . . . . 189 . N parsed_2n9u 1
4 1 2 . . . . . . . . . 144 . O parsed_2n9u 1
5 1 1 . . . . . . . . . 145 . HN parsed_2n9u 1
5 1 2 . . . . . . . . . 168 . O parsed_2n9u 1
6 1 1 . . . . . . . . . 145 . N parsed_2n9u 1
6 1 2 . . . . . . . . . 168 . O parsed_2n9u 1
7 1 1 . . . . . . . . . 170 . HN parsed_2n9u 1
7 1 2 . . . . . . . . . 145 . O parsed_2n9u 1
8 1 1 . . . . . . . . . 170 . N parsed_2n9u 1
8 1 2 . . . . . . . . . 145 . O parsed_2n9u 1
9 1 1 . . . . . . . . . 146 . HN parsed_2n9u 1
9 1 2 . . . . . . . . . 190 . O parsed_2n9u 1
10 1 1 . . . . . . . . . 146 . N parsed_2n9u 1
10 1 2 . . . . . . . . . 190 . O parsed_2n9u 1
11 1 1 . . . . . . . . . 192 . HN parsed_2n9u 1
11 1 2 . . . . . . . . . 146 . O parsed_2n9u 1
12 1 1 . . . . . . . . . 192 . N parsed_2n9u 1
12 1 2 . . . . . . . . . 146 . O parsed_2n9u 1
13 1 1 . . . . . . . . . 173 . HN parsed_2n9u 1
13 1 2 . . . . . . . . . 147 . O parsed_2n9u 1
14 1 1 . . . . . . . . . 173 . N parsed_2n9u 1
14 1 2 . . . . . . . . . 147 . O parsed_2n9u 1
15 1 1 . . . . . . . . . 148 . HN parsed_2n9u 1
15 1 2 . . . . . . . . . 192 . O parsed_2n9u 1
16 1 1 . . . . . . . . . 148 . N parsed_2n9u 1
16 1 2 . . . . . . . . . 192 . O parsed_2n9u 1
17 1 1 . . . . . . . . . 194 . HN parsed_2n9u 1
17 1 2 . . . . . . . . . 148 . O parsed_2n9u 1
18 1 1 . . . . . . . . . 194 . N parsed_2n9u 1
18 1 2 . . . . . . . . . 148 . O parsed_2n9u 1
19 1 1 . . . . . . . . . 149 . HN parsed_2n9u 1
19 1 2 . . . . . . . . . 173 . O parsed_2n9u 1
20 1 1 . . . . . . . . . 149 . N parsed_2n9u 1
20 1 2 . . . . . . . . . 173 . O parsed_2n9u 1
21 1 1 . . . . . . . . . 155 . HN parsed_2n9u 1
21 1 2 . . . . . . . . . 151 . O parsed_2n9u 1
22 1 1 . . . . . . . . . 155 . N parsed_2n9u 1
22 1 2 . . . . . . . . . 151 . O parsed_2n9u 1
23 1 1 . . . . . . . . . 156 . HN parsed_2n9u 1
23 1 2 . . . . . . . . . 152 . O parsed_2n9u 1
24 1 1 . . . . . . . . . 156 . N parsed_2n9u 1
24 1 2 . . . . . . . . . 152 . O parsed_2n9u 1
25 1 1 . . . . . . . . . 158 . HN parsed_2n9u 1
25 1 2 . . . . . . . . . 154 . O parsed_2n9u 1
26 1 1 . . . . . . . . . 158 . N parsed_2n9u 1
26 1 2 . . . . . . . . . 154 . O parsed_2n9u 1
27 1 1 . . . . . . . . . 159 . HN parsed_2n9u 1
27 1 2 . . . . . . . . . 155 . O parsed_2n9u 1
28 1 1 . . . . . . . . . 159 . N parsed_2n9u 1
28 1 2 . . . . . . . . . 155 . O parsed_2n9u 1
29 1 1 . . . . . . . . . 160 . HN parsed_2n9u 1
29 1 2 . . . . . . . . . 156 . O parsed_2n9u 1
30 1 1 . . . . . . . . . 160 . N parsed_2n9u 1
30 1 2 . . . . . . . . . 156 . O parsed_2n9u 1
31 1 1 . . . . . . . . . 161 . HN parsed_2n9u 1
31 1 2 . . . . . . . . . 157 . O parsed_2n9u 1
32 1 1 . . . . . . . . . 161 . N parsed_2n9u 1
32 1 2 . . . . . . . . . 157 . O parsed_2n9u 1
33 1 1 . . . . . . . . . 162 . HN parsed_2n9u 1
33 1 2 . . . . . . . . . 158 . O parsed_2n9u 1
34 1 1 . . . . . . . . . 162 . N parsed_2n9u 1
34 1 2 . . . . . . . . . 158 . O parsed_2n9u 1
35 1 1 . . . . . . . . . 163 . HN parsed_2n9u 1
35 1 2 . . . . . . . . . 159 . O parsed_2n9u 1
36 1 1 . . . . . . . . . 163 . N parsed_2n9u 1
36 1 2 . . . . . . . . . 159 . O parsed_2n9u 1
37 1 1 . . . . . . . . . 164 . HN parsed_2n9u 1
37 1 2 . . . . . . . . . 160 . O parsed_2n9u 1
38 1 1 . . . . . . . . . 164 . N parsed_2n9u 1
38 1 2 . . . . . . . . . 160 . O parsed_2n9u 1
39 1 1 . . . . . . . . . 167 . HN parsed_2n9u 1
39 1 2 . . . . . . . . . 162 . O parsed_2n9u 1
40 1 1 . . . . . . . . . 167 . N parsed_2n9u 1
40 1 2 . . . . . . . . . 162 . O parsed_2n9u 1
41 1 1 . . . . . . . . . 179 . HN parsed_2n9u 1
41 1 2 . . . . . . . . . 175 . O parsed_2n9u 1
42 1 1 . . . . . . . . . 179 . N parsed_2n9u 1
42 1 2 . . . . . . . . . 175 . O parsed_2n9u 1
43 1 1 . . . . . . . . . 180 . HN parsed_2n9u 1
43 1 2 . . . . . . . . . 176 . O parsed_2n9u 1
44 1 1 . . . . . . . . . 180 . N parsed_2n9u 1
44 1 2 . . . . . . . . . 176 . O parsed_2n9u 1
45 1 1 . . . . . . . . . 181 . HN parsed_2n9u 1
45 1 2 . . . . . . . . . 177 . O parsed_2n9u 1
46 1 1 . . . . . . . . . 181 . N parsed_2n9u 1
46 1 2 . . . . . . . . . 177 . O parsed_2n9u 1
47 1 1 . . . . . . . . . 182 . HN parsed_2n9u 1
47 1 2 . . . . . . . . . 178 . O parsed_2n9u 1
48 1 1 . . . . . . . . . 182 . N parsed_2n9u 1
48 1 2 . . . . . . . . . 178 . O parsed_2n9u 1
49 1 1 . . . . . . . . . 183 . HN parsed_2n9u 1
49 1 2 . . . . . . . . . 179 . O parsed_2n9u 1
50 1 1 . . . . . . . . . 183 . N parsed_2n9u 1
50 1 2 . . . . . . . . . 179 . O parsed_2n9u 1
51 1 1 . . . . . . . . . 191 . HN parsed_2n9u 1
51 1 2 . . . . . . . . . 217 . O parsed_2n9u 1
52 1 1 . . . . . . . . . 191 . N parsed_2n9u 1
52 1 2 . . . . . . . . . 217 . O parsed_2n9u 1
53 1 1 . . . . . . . . . 219 . HN parsed_2n9u 1
53 1 2 . . . . . . . . . 191 . O parsed_2n9u 1
54 1 1 . . . . . . . . . 219 . N parsed_2n9u 1
54 1 2 . . . . . . . . . 191 . O parsed_2n9u 1
55 1 1 . . . . . . . . . 203 . HN parsed_2n9u 1
55 1 2 . . . . . . . . . 195 . O parsed_2n9u 1
56 1 1 . . . . . . . . . 203 . N parsed_2n9u 1
56 1 2 . . . . . . . . . 195 . O parsed_2n9u 1
57 1 1 . . . . . . . . . 197 . HN parsed_2n9u 1
57 1 2 . . . . . . . . . 201 . O parsed_2n9u 1
58 1 1 . . . . . . . . . 197 . N parsed_2n9u 1
58 1 2 . . . . . . . . . 201 . O parsed_2n9u 1
59 1 1 . . . . . . . . . 206 . HN parsed_2n9u 1
59 1 2 . . . . . . . . . 202 . O parsed_2n9u 1
60 1 1 . . . . . . . . . 206 . N parsed_2n9u 1
60 1 2 . . . . . . . . . 202 . O parsed_2n9u 1
61 1 1 . . . . . . . . . 207 . HN parsed_2n9u 1
61 1 2 . . . . . . . . . 203 . O parsed_2n9u 1
62 1 1 . . . . . . . . . 207 . N parsed_2n9u 1
62 1 2 . . . . . . . . . 203 . O parsed_2n9u 1
63 1 1 . . . . . . . . . 208 . HN parsed_2n9u 1
63 1 2 . . . . . . . . . 204 . O parsed_2n9u 1
64 1 1 . . . . . . . . . 208 . N parsed_2n9u 1
64 1 2 . . . . . . . . . 204 . O parsed_2n9u 1
65 1 1 . . . . . . . . . 211 . HN parsed_2n9u 1
65 1 2 . . . . . . . . . 207 . O parsed_2n9u 1
66 1 1 . . . . . . . . . 211 . N parsed_2n9u 1
66 1 2 . . . . . . . . . 207 . O parsed_2n9u 1
67 1 1 . . . . . . . . . 214 . HN parsed_2n9u 1
67 1 2 . . . . . . . . . 210 . O parsed_2n9u 1
68 1 1 . . . . . . . . . 214 . N parsed_2n9u 1
68 1 2 . . . . . . . . . 210 . O parsed_2n9u 1
69 1 1 . . . . . . . . . 220 . HN parsed_2n9u 1
69 1 2 . . . . . . . . . 238 . O parsed_2n9u 1
70 1 1 . . . . . . . . . 220 . N parsed_2n9u 1
70 1 2 . . . . . . . . . 238 . O parsed_2n9u 1
71 1 1 . . . . . . . . . 240 . HN parsed_2n9u 1
71 1 2 . . . . . . . . . 220 . O parsed_2n9u 1
72 1 1 . . . . . . . . . 240 . N parsed_2n9u 1
72 1 2 . . . . . . . . . 220 . O parsed_2n9u 1
73 1 1 . . . . . . . . . 228 . HN parsed_2n9u 1
73 1 2 . . . . . . . . . 225 . O parsed_2n9u 1
74 1 1 . . . . . . . . . 228 . N parsed_2n9u 1
74 1 2 . . . . . . . . . 225 . O parsed_2n9u 1
75 1 1 . . . . . . . . . 250 . HN parsed_2n9u 1
75 1 2 . . . . . . . . . 246 . O parsed_2n9u 1
76 1 1 . . . . . . . . . 250 . N parsed_2n9u 1
76 1 2 . . . . . . . . . 246 . O parsed_2n9u 1
77 1 1 . . . . . . . . . 252 . HN parsed_2n9u 1
77 1 2 . . . . . . . . . 248 . O parsed_2n9u 1
78 1 1 . . . . . . . . . 252 . N parsed_2n9u 1
78 1 2 . . . . . . . . . 248 . O parsed_2n9u 1
79 1 1 . . . . . . . . . 253 . HN parsed_2n9u 1
79 1 2 . . . . . . . . . 249 . O parsed_2n9u 1
80 1 1 . . . . . . . . . 253 . N parsed_2n9u 1
80 1 2 . . . . . . . . . 249 . O parsed_2n9u 1
81 1 1 . . . . . . . . . 254 . HN parsed_2n9u 1
81 1 2 . . . . . . . . . 250 . O parsed_2n9u 1
82 1 1 . . . . . . . . . 254 . N parsed_2n9u 1
82 1 2 . . . . . . . . . 250 . O parsed_2n9u 1
83 1 1 . . . . . . . . . 256 . HN parsed_2n9u 1
83 1 2 . . . . . . . . . 252 . O parsed_2n9u 1
84 1 1 . . . . . . . . . 256 . N parsed_2n9u 1
84 1 2 . . . . . . . . . 252 . O parsed_2n9u 1
85 1 1 . . . . . . . . . 257 . HN parsed_2n9u 1
85 1 2 . . . . . . . . . 253 . O parsed_2n9u 1
86 1 1 . . . . . . . . . 257 . N parsed_2n9u 1
86 1 2 . . . . . . . . . 253 . O parsed_2n9u 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 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
2 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
3 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
4 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
5 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
6 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
7 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
8 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
9 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
10 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
11 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
12 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
13 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
14 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
15 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
16 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
17 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
18 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
19 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
20 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
21 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
22 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
23 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
24 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
25 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
26 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
27 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
28 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
29 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
30 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
31 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
32 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
33 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
34 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
35 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
36 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
37 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
38 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
39 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
40 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
41 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
42 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
43 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
44 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
45 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
46 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
47 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
48 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
49 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
50 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
51 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
52 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
53 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
54 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
55 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
56 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
57 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
58 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
59 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
60 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
61 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
62 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
63 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
64 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
65 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
66 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
67 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
68 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
69 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
70 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
71 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
72 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
73 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
74 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
75 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
76 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
77 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
78 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
79 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
80 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
81 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
82 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
83 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
84 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 1
85 1 . . . . . 1.80 1.80 2.30 parsed_2n9u 1
86 1 . . . . . 2.80 2.80 3.30 parsed_2n9u 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
;
Hydrogen bond restraints were obtained through analysis of previous NMR ensemble calculation complemented
with proton deuterium exchange experiments, by analysing the protection factors
RESIDUE 31 AND 6
;
1 1 3 19 parsed_2n9u 1
2 "RESIDUE 52 AND 7" 6 1 6 19 parsed_2n9u 1
3 "RESIDUE 8 AND 31" 9 1 9 19 parsed_2n9u 1
4 "RESIDUE 33 AND 8" 12 1 12 19 parsed_2n9u 1
5 "RESIDUE 9 AND 53" 15 1 15 19 parsed_2n9u 1
6 "RESIDUE 55 AND 9" 18 1 18 19 parsed_2n9u 1
7 "RESIDUE 36 AND 10" 21 1 21 20 parsed_2n9u 1
8 "RESIDUE 11 AND 55" 24 1 24 20 parsed_2n9u 1
9 "RESIDUE 57 AND 11" 27 1 27 20 parsed_2n9u 1
10 "RESIDUE 12 AND 36" 30 1 30 20 parsed_2n9u 1
11 "RESIDUE 18 AND 14" 33 1 33 20 parsed_2n9u 1
12 "RESIDUE 19 AND 15" 36 1 36 20 parsed_2n9u 1
13 "RESIDUE 21 AND 17" 39 1 39 20 parsed_2n9u 1
14 "RESIDUE 22 AND 18" 42 1 42 20 parsed_2n9u 1
15 "RESIDUE 23 AND 19" 45 1 45 20 parsed_2n9u 1
16 "RESIDUE 24 AND 20" 48 1 48 20 parsed_2n9u 1
17 "RESIDUE 25 AND 21" 51 1 51 20 parsed_2n9u 1
18 "RESIDUE 26 AND 22" 54 1 54 20 parsed_2n9u 1
19 "RESIDUE 27 AND 23" 57 1 57 20 parsed_2n9u 1
20 "RESIDUE 30 AND 25" 60 1 60 20 parsed_2n9u 1
21
;
RESIDUE 29 AND 26
assign ( resid 166 and name HN ) ( resid 163 and name O ) 1.80 0.00 0.50
assign ( resid 166 and name N ) ( resid 163 and name O ) 2.80 0.00 0.50
RESIDUE 61 AND 37
assign ( resid 198 and name HN ) ( resid 174 and name O ) 1.80 0.00 0.50
assign ( resid 198 and name N ) ( resid 174 and name O ) 2.80 0.00 0.50
RESIDUE 42 AND 38
;
63 1 69 20 parsed_2n9u 1
22 "RESIDUE 43 AND 39" 72 1 72 20 parsed_2n9u 1
23 "RESIDUE 44 AND 40" 75 1 75 20 parsed_2n9u 1
24 "RESIDUE 45 AND 41" 78 1 78 20 parsed_2n9u 1
25 "RESIDUE 46 AND 42" 81 1 81 20 parsed_2n9u 1
26
;
RESIDUE 48 AND 45
assign ( resid 185 and name HN ) ( resid 182 and name O ) 1.80 0.00 0.50
assign ( resid 185 and name N ) ( resid 182 and name O ) 2.80 0.00 0.50
RESIDUE 54 AND 80
;
84 1 87 20 parsed_2n9u 1
27 "RESIDUE 82 AND 54" 90 1 90 20 parsed_2n9u 1
28 "RESIDUE 66 AND 58" 93 1 93 20 parsed_2n9u 1
29 "RESIDUE 60 AND 64" 96 1 96 20 parsed_2n9u 1
30
;
RESIDUE 63 AND 60
assign ( resid 200 and name HN ) ( resid 197 and name O ) 1.80 0.00 0.50
assign ( resid 200 and name N ) ( resid 197 and name O ) 2.80 0.00 0.50
RESIDUE 69 AND 65
;
99 1 102 20 parsed_2n9u 1
31 "RESIDUE 70 AND 66" 105 1 105 20 parsed_2n9u 1
32 "RESIDUE 71 AND 67" 108 1 108 20 parsed_2n9u 1
33 "RESIDUE 74 AND 70" 111 1 111 20 parsed_2n9u 1
34
;
RESIDUE 75 AND 71
assign ( resid 212 and name HN ) ( resid 208 and name O ) 1.80 0.00 0.50
assign ( resid 212 and name N ) ( resid 208 and name O ) 2.80 0.00 0.50
RESIDUE 76 AND 73
assign ( resid 213 and name HN ) ( resid 210 and name O ) 1.80 0.00 0.50
assign ( resid 213 and name N ) ( resid 210 and name O ) 2.80 0.00 0.50
RESIDUE 77 AND 73
;
114 1 120 20 parsed_2n9u 1
35 "RESIDUE 83 AND 101" 123 1 123 21 parsed_2n9u 1
36 "RESIDUE 103 AND 83" 126 1 126 21 parsed_2n9u 1
37
;
RESIDUE 90 AND 87
assign ( resid 227 and name HN ) ( resid 224 and name O ) 1.80 0.00 0.50
assign ( resid 227 and name N ) ( resid 224 and name O ) 2.80 0.00 0.50
RESIDUE 91 AND 88
;
129 1 132 20 parsed_2n9u 1
38
;
RESIDUE 111 AND 108
assign ( resid 248 and name HN ) ( resid 245 and name O ) 1.80 0.00 0.50
assign ( resid 248 and name N ) ( resid 245 and name O ) 2.80 0.00 0.50
RESIDUE 112 AND 108
assign ( resid 249 and name HN ) ( resid 245 and name O ) 1.80 0.00 0.50
assign ( resid 249 and name N ) ( resid 245 and name O ) 2.80 0.00 0.50
RESIDUE 113 AND 109
;
135 1 141 22 parsed_2n9u 1
39
;
RESIDUE 114 AND 110
assign ( resid 251 and name HN ) ( resid 247 and name O ) 1.80 0.00 0.50
assign ( resid 251 and name N ) ( resid 247 and name O ) 2.80 0.00 0.50
RESIDUE 115 AND 111
;
144 1 147 22 parsed_2n9u 1
40 "RESIDUE 116 AND 112" 150 1 150 22 parsed_2n9u 1
41 "RESIDUE 117 AND 113" 153 1 153 22 parsed_2n9u 1
42 "RESIDUE 119 AND 115" 156 1 156 22 parsed_2n9u 1
43 "RESIDUE 120 AND 116" 159 1 159 22 parsed_2n9u 1
stop_
save_
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