NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
655757 |
6u1o   |
30375 | cing | 2-parsed | STAR | dipolar coupling | 131 |
data_6u1o_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6u1o
_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_6u1o 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6u1o
_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 6u1o "Master copy" parsed_6u1o
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6u1o
_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 6u1o.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6u1o 1
1 6u1o.mr . . XPLOR/CNS 2 distance NOE simple 2669 parsed_6u1o 1
1 6u1o.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 388 parsed_6u1o 1
1 6u1o.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 131 parsed_6u1o 1
1 6u1o.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6u1o 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6u1o
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 3.593000 . . . . . 4 . N . 4 . HN parsed_6u1o 1
2 . . . . . . . . . . . . . . . . 3.718000 . . . . . 6 . N . 6 . HN parsed_6u1o 1
3 . . . . . . . . . . . . . . . . 9.303000 . . . . . 7 . N . 7 . HN parsed_6u1o 1
4 . . . . . . . . . . . . . . . . -0.548000 . . . . . 9 . N . 9 . HN parsed_6u1o 1
5 . . . . . . . . . . . . . . . . 9.902000 . . . . . 11 . N . 11 . HN parsed_6u1o 1
6 . . . . . . . . . . . . . . . . 1.241000 . . . . . 12 . N . 12 . HN parsed_6u1o 1
7 . . . . . . . . . . . . . . . . 1.108000 . . . . . 13 . N . 13 . HN parsed_6u1o 1
8 . . . . . . . . . . . . . . . . 10.471000 . . . . . 14 . N . 14 . HN parsed_6u1o 1
9 . . . . . . . . . . . . . . . . 6.438000 . . . . . 15 . N . 15 . HN parsed_6u1o 1
10 . . . . . . . . . . . . . . . . -1.840000 . . . . . 16 . N . 16 . HN parsed_6u1o 1
11 . . . . . . . . . . . . . . . . 1.203000 . . . . . 17 . N . 17 . HN parsed_6u1o 1
12 . . . . . . . . . . . . . . . . 9.434000 . . . . . 18 . N . 18 . HN parsed_6u1o 1
13 . . . . . . . . . . . . . . . . -1.160000 . . . . . 19 . N . 19 . HN parsed_6u1o 1
14 . . . . . . . . . . . . . . . . -3.376000 . . . . . 21 . N . 21 . HN parsed_6u1o 1
15 . . . . . . . . . . . . . . . . -22.858000 . . . . . 24 . N . 24 . HN parsed_6u1o 1
16 . . . . . . . . . . . . . . . . -25.444000 . . . . . 25 . N . 25 . HN parsed_6u1o 1
17 . . . . . . . . . . . . . . . . -9.778000 . . . . . 26 . N . 26 . HN parsed_6u1o 1
18 . . . . . . . . . . . . . . . . 20.874000 . . . . . 28 . N . 28 . HN parsed_6u1o 1
19 . . . . . . . . . . . . . . . . 10.980000 . . . . . 30 . N . 30 . HN parsed_6u1o 1
20 . . . . . . . . . . . . . . . . -15.268000 . . . . . 31 . N . 31 . HN parsed_6u1o 1
21 . . . . . . . . . . . . . . . . -26.797000 . . . . . 32 . N . 32 . HN parsed_6u1o 1
22 . . . . . . . . . . . . . . . . -29.177000 . . . . . 33 . N . 33 . HN parsed_6u1o 1
23 . . . . . . . . . . . . . . . . -10.868000 . . . . . 35 . N . 35 . HN parsed_6u1o 1
24 . . . . . . . . . . . . . . . . -16.098000 . . . . . 36 . N . 36 . HN parsed_6u1o 1
25 . . . . . . . . . . . . . . . . 14.036000 . . . . . 37 . N . 37 . HN parsed_6u1o 1
26 . . . . . . . . . . . . . . . . 20.163000 . . . . . 41 . N . 41 . HN parsed_6u1o 1
27 . . . . . . . . . . . . . . . . 0.131000 . . . . . 45 . N . 45 . HN parsed_6u1o 1
28 . . . . . . . . . . . . . . . . -25.566000 . . . . . 47 . N . 47 . HN parsed_6u1o 1
29 . . . . . . . . . . . . . . . . -29.861000 . . . . . 48 . N . 48 . HN parsed_6u1o 1
30 . . . . . . . . . . . . . . . . 7.557000 . . . . . 49 . N . 49 . HN parsed_6u1o 1
31 . . . . . . . . . . . . . . . . 25.143000 . . . . . 51 . N . 51 . HN parsed_6u1o 1
32 . . . . . . . . . . . . . . . . 3.238000 . . . . . 52 . N . 52 . HN parsed_6u1o 1
33 . . . . . . . . . . . . . . . . -9.041000 . . . . . 53 . N . 53 . HN parsed_6u1o 1
34 . . . . . . . . . . . . . . . . -6.708000 . . . . . 56 . N . 56 . HN parsed_6u1o 1
35 . . . . . . . . . . . . . . . . 0.415000 . . . . . 61 . N . 61 . HN parsed_6u1o 1
36 . . . . . . . . . . . . . . . . -20.285000 . . . . . 62 . N . 62 . HN parsed_6u1o 1
37 . . . . . . . . . . . . . . . . 16.561000 . . . . . 63 . N . 63 . HN parsed_6u1o 1
38 . . . . . . . . . . . . . . . . -1.718000 . . . . . 64 . N . 64 . HN parsed_6u1o 1
39 . . . . . . . . . . . . . . . . 16.464000 . . . . . 65 . N . 65 . HN parsed_6u1o 1
40 . . . . . . . . . . . . . . . . 29.743000 . . . . . 68 . N . 68 . HN parsed_6u1o 1
41 . . . . . . . . . . . . . . . . -1.885000 . . . . . 73 . N . 73 . HN parsed_6u1o 1
42 . . . . . . . . . . . . . . . . 11.395000 . . . . . 77 . N . 77 . HN parsed_6u1o 1
43 . . . . . . . . . . . . . . . . 3.857000 . . . . . 83 . N . 83 . HN parsed_6u1o 1
44 . . . . . . . . . . . . . . . . 23.763000 . . . . . 85 . N . 85 . HN parsed_6u1o 1
45 . . . . . . . . . . . . . . . . 23.130000 . . . . . 86 . N . 86 . HN parsed_6u1o 1
46 . . . . . . . . . . . . . . . . 26.933000 . . . . . 89 . N . 89 . HN parsed_6u1o 1
47 . . . . . . . . . . . . . . . . 15.906000 . . . . . 90 . N . 90 . HN parsed_6u1o 1
48 . . . . . . . . . . . . . . . . 12.497000 . . . . . 91 . N . 91 . HN parsed_6u1o 1
49 . . . . . . . . . . . . . . . . 7.564000 . . . . . 93 . N . 93 . HN parsed_6u1o 1
50 . . . . . . . . . . . . . . . . -17.560000 . . . . . 94 . N . 94 . HN parsed_6u1o 1
51 . . . . . . . . . . . . . . . . -22.853000 . . . . . 95 . N . 95 . HN parsed_6u1o 1
52 . . . . . . . . . . . . . . . . 28.353000 . . . . . 96 . N . 96 . HN parsed_6u1o 1
53 . . . . . . . . . . . . . . . . 3.058000 . . . . . 98 . N . 98 . HN parsed_6u1o 1
54 . . . . . . . . . . . . . . . . 20.429000 . . . . . 99 . N . 99 . HN parsed_6u1o 1
55 . . . . . . . . . . . . . . . . -27.917000 . . . . . 100 . N . 100 . HN parsed_6u1o 1
56 . . . . . . . . . . . . . . . . -11.828000 . . . . . 101 . N . 101 . HN parsed_6u1o 1
57 . . . . . . . . . . . . . . . . -20.846000 . . . . . 104 . N . 104 . HN parsed_6u1o 1
58 . . . . . . . . . . . . . . . . -12.194000 . . . . . 105 . N . 105 . HN parsed_6u1o 1
59 . . . . . . . . . . . . . . . . -17.060000 . . . . . 106 . N . 106 . HN parsed_6u1o 1
60 . . . . . . . . . . . . . . . . -1.167000 . . . . . 108 . N . 108 . HN parsed_6u1o 1
61 . . . . . . . . . . . . . . . . -1.490000 . . . . . 109 . N . 109 . HN parsed_6u1o 1
62 . . . . . . . . . . . . . . . . -22.094000 . . . . . 110 . N . 110 . HN parsed_6u1o 1
63 . . . . . . . . . . . . . . . . 21.361000 . . . . . 112 . N . 112 . HN parsed_6u1o 1
64 . . . . . . . . . . . . . . . . 19.954000 . . . . . 127 . N . 127 . HN parsed_6u1o 1
65 . . . . . . . . . . . . . . . . -3.209000 . . . . . 129 . N . 129 . HN parsed_6u1o 1
66 . . . . . . . . . . . . . . . . -11.971000 . . . . . 132 . N . 132 . HN parsed_6u1o 1
67 . . . . . . . . . . . . . . . . 7.513000 . . . . . 134 . N . 134 . HN parsed_6u1o 1
68 . . . . . . . . . . . . . . . . -27.760000 . . . . . 135 . N . 135 . HN parsed_6u1o 1
69 . . . . . . . . . . . . . . . . -23.807000 . . . . . 136 . N . 136 . HN parsed_6u1o 1
70 . . . . . . . . . . . . . . . . -25.200000 . . . . . 137 . N . 137 . HN parsed_6u1o 1
71 . . . . . . . . . . . . . . . . 13.900000 . . . . . 145 . N . 145 . HN parsed_6u1o 1
72 . . . . . . . . . . . . . . . . 23.904000 . . . . . 147 . N . 147 . HN parsed_6u1o 1
73 . . . . . . . . . . . . . . . . -9.526000 . . . . . 151 . N . 151 . HN parsed_6u1o 1
74 . . . . . . . . . . . . . . . . -8.369000 . . . . . 152 . N . 152 . HN parsed_6u1o 1
75 . . . . . . . . . . . . . . . . -22.473000 . . . . . 153 . N . 153 . HN parsed_6u1o 1
76 . . . . . . . . . . . . . . . . -15.715000 . . . . . 155 . N . 155 . HN parsed_6u1o 1
77 . . . . . . . . . . . . . . . . -17.809000 . . . . . 156 . N . 156 . HN parsed_6u1o 1
78 . . . . . . . . . . . . . . . . -11.223000 . . . . . 158 . N . 158 . HN parsed_6u1o 1
79 . . . . . . . . . . . . . . . . -9.031000 . . . . . 160 . N . 160 . HN parsed_6u1o 1
80 . . . . . . . . . . . . . . . . -11.632000 . . . . . 164 . N . 164 . HN parsed_6u1o 1
81 . . . . . . . . . . . . . . . . -2.110000 . . . . . 167 . N . 167 . HN parsed_6u1o 1
82 . . . . . . . . . . . . . . . . -20.130000 . . . . . 168 . N . 168 . HN parsed_6u1o 1
83 . . . . . . . . . . . . . . . . 5.220000 . . . . . 170 . N . 170 . HN parsed_6u1o 1
84 . . . . . . . . . . . . . . . . -16.330000 . . . . . 171 . N . 171 . HN parsed_6u1o 1
85 . . . . . . . . . . . . . . . . 3.016000 . . . . . 177 . N . 177 . HN parsed_6u1o 1
86 . . . . . . . . . . . . . . . . -8.005000 . . . . . 182 . N . 182 . HN parsed_6u1o 1
87 . . . . . . . . . . . . . . . . -15.005000 . . . . . 183 . N . 183 . HN parsed_6u1o 1
88 . . . . . . . . . . . . . . . . -6.399000 . . . . . 186 . N . 186 . HN parsed_6u1o 1
89 . . . . . . . . . . . . . . . . -17.602000 . . . . . 187 . N . 187 . HN parsed_6u1o 1
90 . . . . . . . . . . . . . . . . -15.393000 . . . . . 189 . N . 189 . HN parsed_6u1o 1
91 . . . . . . . . . . . . . . . . 12.527000 . . . . . 190 . N . 190 . HN parsed_6u1o 1
92 . . . . . . . . . . . . . . . . -3.336000 . . . . . 195 . N . 195 . HN parsed_6u1o 1
93 . . . . . . . . . . . . . . . . 2.015000 . . . . . 198 . N . 198 . HN parsed_6u1o 1
94 . . . . . . . . . . . . . . . . 7.156000 . . . . . 199 . N . 199 . HN parsed_6u1o 1
95 . . . . . . . . . . . . . . . . 7.157000 . . . . . 200 . N . 200 . HN parsed_6u1o 1
96 . . . . . . . . . . . . . . . . 12.527000 . . . . . 201 . N . 201 . HN parsed_6u1o 1
97 . . . . . . . . . . . . . . . . -1.773000 . . . . . 202 . N . 202 . HN parsed_6u1o 1
98 . . . . . . . . . . . . . . . . 1.020000 . . . . . 204 . N . 204 . HN parsed_6u1o 1
99 . . . . . . . . . . . . . . . . 10.097000 . . . . . 207 . N . 207 . HN parsed_6u1o 1
100 . . . . . . . . . . . . . . . . -1.184000 . . . . . 209 . N . 209 . HN parsed_6u1o 1
101 . . . . . . . . . . . . . . . . 5.130000 . . . . . 211 . N . 211 . HN parsed_6u1o 1
102 . . . . . . . . . . . . . . . . 5.493000 . . . . . 212 . N . 212 . HN parsed_6u1o 1
103 . . . . . . . . . . . . . . . . 5.587000 . . . . . 213 . N . 213 . HN parsed_6u1o 1
104 . . . . . . . . . . . . . . . . 6.437000 . . . . . 215 . N . 215 . HN parsed_6u1o 1
105 . . . . . . . . . . . . . . . . 1.419000 . . . . . 216 . N . 216 . HN parsed_6u1o 1
106 . . . . . . . . . . . . . . . . 14.700000 . . . . . 217 . N . 217 . HN parsed_6u1o 1
107 . . . . . . . . . . . . . . . . -8.028000 . . . . . 218 . N . 218 . HN parsed_6u1o 1
108 . . . . . . . . . . . . . . . . -10.268000 . . . . . 219 . N . 219 . HN parsed_6u1o 1
109 . . . . . . . . . . . . . . . . -0.106000 . . . . . 220 . N . 220 . HN parsed_6u1o 1
110 . . . . . . . . . . . . . . . . -14.878000 . . . . . 221 . N . 221 . HN parsed_6u1o 1
111 . . . . . . . . . . . . . . . . -2.300000 . . . . . 222 . N . 222 . HN parsed_6u1o 1
112 . . . . . . . . . . . . . . . . -13.100000 . . . . . 224 . N . 224 . HN parsed_6u1o 1
113 . . . . . . . . . . . . . . . . -1.560000 . . . . . 225 . N . 225 . HN parsed_6u1o 1
114 . . . . . . . . . . . . . . . . 17.041000 . . . . . 227 . N . 227 . HN parsed_6u1o 1
115 . . . . . . . . . . . . . . . . 16.770000 . . . . . 229 . N . 229 . HN parsed_6u1o 1
116 . . . . . . . . . . . . . . . . 2.051000 . . . . . 241 . N . 241 . HN parsed_6u1o 1
117 . . . . . . . . . . . . . . . . -1.150000 . . . . . 244 . N . 244 . HN parsed_6u1o 1
118 . . . . . . . . . . . . . . . . -7.600000 . . . . . 246 . N . 246 . HN parsed_6u1o 1
119 . . . . . . . . . . . . . . . . -11.702000 . . . . . 247 . N . 247 . HN parsed_6u1o 1
120 . . . . . . . . . . . . . . . . -3.859000 . . . . . 248 . N . 248 . HN parsed_6u1o 1
121 . . . . . . . . . . . . . . . . -9.860000 . . . . . 250 . N . 250 . HN parsed_6u1o 1
122 . . . . . . . . . . . . . . . . -11.995000 . . . . . 251 . N . 251 . HN parsed_6u1o 1
123 . . . . . . . . . . . . . . . . -1.754000 . . . . . 252 . N . 252 . HN parsed_6u1o 1
124 . . . . . . . . . . . . . . . . -3.980000 . . . . . 253 . N . 253 . HN parsed_6u1o 1
125 . . . . . . . . . . . . . . . . -19.094000 . . . . . 254 . N . 254 . HN parsed_6u1o 1
126 . . . . . . . . . . . . . . . . 12.932000 . . . . . 255 . N . 255 . HN parsed_6u1o 1
127 . . . . . . . . . . . . . . . . 6.139000 . . . . . 256 . N . 256 . HN parsed_6u1o 1
128 . . . . . . . . . . . . . . . . 0.359000 . . . . . 257 . N . 257 . HN parsed_6u1o 1
129 . . . . . . . . . . . . . . . . 23.059000 . . . . . 135 . NE1 . 135 . HE1 parsed_6u1o 1
130 . . . . . . . . . . . . . . . . -1.064000 . . . . . 220 . NE1 . 220 . HE1 parsed_6u1o 1
131 . . . . . . . . . . . . . . . . -5.108000 . . . . . 229 . NE1 . 229 . HE1 parsed_6u1o 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 67 and name N )
( resid 67 and name HN ) 35.475000 7.000000
;
275 1 280 55 parsed_6u1o 1
2
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 141 and name N )
( resid 141 and name HN ) 27.640000 5.000000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 143 and name N )
( resid 143 and name HN ) 28.220000 5.000000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 144 and name N )
( resid 144 and name HN ) 28.273000 5.000000
;
500 1 519 57 parsed_6u1o 1
3
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 150 and name N )
( resid 150 and name HN ) 26.327000 5.000000
;
535 1 540 57 parsed_6u1o 1
4
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 154 and name N )
( resid 154 and name HN ) -31.715000 5.000000
;
563 1 568 58 parsed_6u1o 1
5
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 180 and name N )
( resid 180 and name HN ) 21.658000 5.000000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 181 and name N )
( resid 181 and name HN ) 22.918000 5.000000
;
640 1 652 57 parsed_6u1o 1
6
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 191 and name N )
( resid 191 and name HN ) 3.991000 5.000000
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 192 and name N )
( resid 192 and name HN ) 9.527000 5.000000
;
696 1 708 56 parsed_6u1o 1
7
;
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 258 and name N )
( resid 258 and name HN ) 5.450000 5.000000
;
969 1 974 56 parsed_6u1o 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 3: rdc.tbl" 1 1 1 28 parsed_6u1o 1
stop_
save_
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