NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
493387 |
2l3s   |
cing | 2-parsed | STAR | dipolar coupling | 89 |
data_2l3s_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l3s
_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_2l3s 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l3s
_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 2l3s "Master copy" parsed_2l3s
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l3s
_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 2l3s.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 2 distance NOE simple 3050 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 89 parsed_2l3s 1
1 2l3s.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2l3s 1
1 2l3s.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l3s 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2l3s
_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 . . . . . . . . . . . . . . . . 4.26 . . . . . 137 . N . 137 . HN parsed_2l3s 1
2 . . . . . . . . . . . . . . . . 17.89 . . . . . 138 . N . 138 . HN parsed_2l3s 1
3 . . . . . . . . . . . . . . . . 15.58 . . . . . 141 . N . 141 . HN parsed_2l3s 1
4 . . . . . . . . . . . . . . . . 1.72 . . . . . 148 . N . 148 . HN parsed_2l3s 1
5 . . . . . . . . . . . . . . . . 20.35 . . . . . 150 . N . 150 . HN parsed_2l3s 1
6 . . . . . . . . . . . . . . . . 9.76 . . . . . 151 . N . 151 . HN parsed_2l3s 1
7 . . . . . . . . . . . . . . . . 2.54 . . . . . 152 . N . 152 . HN parsed_2l3s 1
8 . . . . . . . . . . . . . . . . -0.38 . . . . . 155 . N . 155 . HN parsed_2l3s 1
9 . . . . . . . . . . . . . . . . 3.47 . . . . . 156 . N . 156 . HN parsed_2l3s 1
10 . . . . . . . . . . . . . . . . -9.1 . . . . . 157 . N . 157 . HN parsed_2l3s 1
11 . . . . . . . . . . . . . . . . -6.24 . . . . . 160 . N . 160 . HN parsed_2l3s 1
12 . . . . . . . . . . . . . . . . 9.42 . . . . . 161 . N . 161 . HN parsed_2l3s 1
13 . . . . . . . . . . . . . . . . 23.69 . . . . . 162 . N . 162 . HN parsed_2l3s 1
14 . . . . . . . . . . . . . . . . 11.7 . . . . . 163 . N . 163 . HN parsed_2l3s 1
15 . . . . . . . . . . . . . . . . -5.82 . . . . . 164 . N . 164 . HN parsed_2l3s 1
16 . . . . . . . . . . . . . . . . 13.81 . . . . . 165 . N . 165 . HN parsed_2l3s 1
17 . . . . . . . . . . . . . . . . 7.79 . . . . . 171 . N . 171 . HN parsed_2l3s 1
18 . . . . . . . . . . . . . . . . 3.13 . . . . . 172 . N . 172 . HN parsed_2l3s 1
19 . . . . . . . . . . . . . . . . 22.42 . . . . . 173 . N . 173 . HN parsed_2l3s 1
20 . . . . . . . . . . . . . . . . 18.52 . . . . . 174 . N . 174 . HN parsed_2l3s 1
21 . . . . . . . . . . . . . . . . 0.72 . . . . . 175 . N . 175 . HN parsed_2l3s 1
22 . . . . . . . . . . . . . . . . -2.05 . . . . . 176 . N . 176 . HN parsed_2l3s 1
23 . . . . . . . . . . . . . . . . -0.88 . . . . . 177 . N . 177 . HN parsed_2l3s 1
24 . . . . . . . . . . . . . . . . -4.1 . . . . . 179 . N . 179 . HN parsed_2l3s 1
25 . . . . . . . . . . . . . . . . -0.17 . . . . . 180 . N . 180 . HN parsed_2l3s 1
26 . . . . . . . . . . . . . . . . 17.32 . . . . . 181 . N . 181 . HN parsed_2l3s 1
27 . . . . . . . . . . . . . . . . 15.55 . . . . . 182 . N . 182 . HN parsed_2l3s 1
28 . . . . . . . . . . . . . . . . 0.65 . . . . . 183 . N . 183 . HN parsed_2l3s 1
29 . . . . . . . . . . . . . . . . -22.02 . . . . . 185 . N . 185 . HN parsed_2l3s 1
30 . . . . . . . . . . . . . . . . 2.17 . . . . . 190 . N . 190 . HN parsed_2l3s 1
31 . . . . . . . . . . . . . . . . -6.59 . . . . . 194 . N . 194 . HN parsed_2l3s 1
32 . . . . . . . . . . . . . . . . 10.1 . . . . . 195 . N . 195 . HN parsed_2l3s 1
33 . . . . . . . . . . . . . . . . 3.49 . . . . . 196 . N . 196 . HN parsed_2l3s 1
34 . . . . . . . . . . . . . . . . 1.33 . . . . . 197 . N . 197 . HN parsed_2l3s 1
35 . . . . . . . . . . . . . . . . 1.08 . . . . . 200 . N . 200 . HN parsed_2l3s 1
36 . . . . . . . . . . . . . . . . -2.87 . . . . . 201 . N . 201 . HN parsed_2l3s 1
37 . . . . . . . . . . . . . . . . 1.02 . . . . . 202 . N . 202 . HN parsed_2l3s 1
38 . . . . . . . . . . . . . . . . -4.24 . . . . . 203 . N . 203 . HN parsed_2l3s 1
39 . . . . . . . . . . . . . . . . -1.69 . . . . . 204 . N . 204 . HN parsed_2l3s 1
40 . . . . . . . . . . . . . . . . -3.95 . . . . . 206 . N . 206 . HN parsed_2l3s 1
41 . . . . . . . . . . . . . . . . 0.12 . . . . . 210 . N . 210 . HN parsed_2l3s 1
42 . . . . . . . . . . . . . . . . -3.21 . . . . . 215 . N . 215 . HN parsed_2l3s 1
43 . . . . . . . . . . . . . . . . 0.43 . . . . . 216 . N . 216 . HN parsed_2l3s 1
44 . . . . . . . . . . . . . . . . -0.68 . . . . . 220 . N . 220 . HN parsed_2l3s 1
45 . . . . . . . . . . . . . . . . -6.55 . . . . . 226 . N . 226 . HN parsed_2l3s 1
46 . . . . . . . . . . . . . . . . -4.27 . . . . . 227 . N . 227 . HN parsed_2l3s 1
47 . . . . . . . . . . . . . . . . -5.9 . . . . . 228 . N . 228 . HN parsed_2l3s 1
48 . . . . . . . . . . . . . . . . -4.22 . . . . . 229 . N . 229 . HN parsed_2l3s 1
49 . . . . . . . . . . . . . . . . -7.62 . . . . . 231 . N . 231 . HN parsed_2l3s 1
50 . . . . . . . . . . . . . . . . -0.28 . . . . . 237 . N . 237 . HN parsed_2l3s 1
51 . . . . . . . . . . . . . . . . 3.32 . . . . . 240 . N . 240 . HN parsed_2l3s 1
52 . . . . . . . . . . . . . . . . -4.56 . . . . . 241 . N . 241 . HN parsed_2l3s 1
53 . . . . . . . . . . . . . . . . 22.57 . . . . . 242 . N . 242 . HN parsed_2l3s 1
54 . . . . . . . . . . . . . . . . 7.75 . . . . . 246 . N . 246 . HN parsed_2l3s 1
55 . . . . . . . . . . . . . . . . -3.14 . . . . . 247 . N . 247 . HN parsed_2l3s 1
56 . . . . . . . . . . . . . . . . -2.10 . . . . . 248 . N . 248 . HN parsed_2l3s 1
57 . . . . . . . . . . . . . . . . 6.88 . . . . . 250 . N . 250 . HN parsed_2l3s 1
58 . . . . . . . . . . . . . . . . -0.15 . . . . . 251 . N . 251 . HN parsed_2l3s 1
59 . . . . . . . . . . . . . . . . 2.00 . . . . . 252 . N . 252 . HN parsed_2l3s 1
60 . . . . . . . . . . . . . . . . 15.18 . . . . . 253 . N . 253 . HN parsed_2l3s 1
61 . . . . . . . . . . . . . . . . 1.29 . . . . . 254 . N . 254 . HN parsed_2l3s 1
62 . . . . . . . . . . . . . . . . -1.18 . . . . . 255 . N . 255 . HN parsed_2l3s 1
63 . . . . . . . . . . . . . . . . -15.28 . . . . . 256 . N . 256 . HN parsed_2l3s 1
64 . . . . . . . . . . . . . . . . 9.06 . . . . . 257 . N . 257 . HN parsed_2l3s 1
65 . . . . . . . . . . . . . . . . 9.04 . . . . . 258 . N . 258 . HN parsed_2l3s 1
66 . . . . . . . . . . . . . . . . 0.96 . . . . . 259 . N . 259 . HN parsed_2l3s 1
67 . . . . . . . . . . . . . . . . 16.7 . . . . . 262 . N . 262 . HN parsed_2l3s 1
68 . . . . . . . . . . . . . . . . 2.81 . . . . . 263 . N . 263 . HN parsed_2l3s 1
69 . . . . . . . . . . . . . . . . 5.51 . . . . . 266 . N . 266 . HN parsed_2l3s 1
70 . . . . . . . . . . . . . . . . -6.86 . . . . . 267 . N . 267 . HN parsed_2l3s 1
71 . . . . . . . . . . . . . . . . -24.64 . . . . . 268 . N . 268 . HN parsed_2l3s 1
72 . . . . . . . . . . . . . . . . 15.46 . . . . . 269 . N . 269 . HN parsed_2l3s 1
73 . . . . . . . . . . . . . . . . -3.34 . . . . . 270 . N . 270 . HN parsed_2l3s 1
74 . . . . . . . . . . . . . . . . 8.22 . . . . . 273 . N . 273 . HN parsed_2l3s 1
75 . . . . . . . . . . . . . . . . -6.3 . . . . . 274 . N . 274 . HN parsed_2l3s 1
76 . . . . . . . . . . . . . . . . 8.5 . . . . . 275 . N . 275 . HN parsed_2l3s 1
77 . . . . . . . . . . . . . . . . -9.02 . . . . . 276 . N . 276 . HN parsed_2l3s 1
78 . . . . . . . . . . . . . . . . -7.47 . . . . . 277 . N . 277 . HN parsed_2l3s 1
79 . . . . . . . . . . . . . . . . -17.03 . . . . . 278 . N . 278 . HN parsed_2l3s 1
80 . . . . . . . . . . . . . . . . -10.48 . . . . . 279 . N . 279 . HN parsed_2l3s 1
81 . . . . . . . . . . . . . . . . -11.82 . . . . . 281 . N . 281 . HN parsed_2l3s 1
82 . . . . . . . . . . . . . . . . -3.69 . . . . . 282 . N . 282 . HN parsed_2l3s 1
83 . . . . . . . . . . . . . . . . 4.53 . . . . . 283 . N . 283 . HN parsed_2l3s 1
84 . . . . . . . . . . . . . . . . 1.79 . . . . . 284 . N . 284 . HN parsed_2l3s 1
85 . . . . . . . . . . . . . . . . -16.18 . . . . . 285 . N . 285 . HN parsed_2l3s 1
86 . . . . . . . . . . . . . . . . -13.21 . . . . . 286 . N . 286 . HN parsed_2l3s 1
87 . . . . . . . . . . . . . . . . 16.1 . . . . . 287 . N . 287 . HN parsed_2l3s 1
88 . . . . . . . . . . . . . . . . -0.85 . . . . . 291 . N . 291 . HN parsed_2l3s 1
89 . . . . . . . . . . . . . . . . 10.96 . . . . . 294 . N . 294 . HN parsed_2l3s 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
;
RDC:
assign ( resid 500 and name OO )
( resid 500 and name Z )
( resid 500 and name X )
( resid 500 and name Y )
( resid 136 and name N )
( resid 136 and name HN ) 8.42 0.200
;
1 1 7 47 parsed_2l3s 1
stop_
save_
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