NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
646922 |
6s3w   |
27397 | cing | 2-parsed | STAR | dihedral angle | 152 |
data_6s3w_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6s3w
_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_6s3w 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6s3w
_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 6s3w "Master copy" parsed_6s3w
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6s3w
_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 6s3w.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6s3w 1
1 6s3w.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 27 parsed_6s3w 1
1 6s3w.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 78 parsed_6s3w 1
1 6s3w.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 152 parsed_6s3w 1
1 6s3w.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_6s3w 1
1 6s3w.mr . . XPLOR/CNS 6 distance NOE ambi 0 parsed_6s3w 1
1 6s3w.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6s3w 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6s3w
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -41.60 . " A" 254 . C " A" 255 . N " A" 255 . CA " A" 255 . C parsed_6s3w 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.14 . " A" 255 . N " A" 255 . CA " A" 255 . C " A" 256 . N parsed_6s3w 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -32.42 . " A" 255 . C " A" 256 . N " A" 256 . CA " A" 256 . C parsed_6s3w 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -9.26 . " A" 256 . N " A" 256 . CA " A" 256 . C " A" 257 . N parsed_6s3w 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.82 . " A" 256 . C " A" 257 . N " A" 257 . CA " A" 257 . C parsed_6s3w 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -25.80 . " A" 257 . N " A" 257 . CA " A" 257 . C " A" 258 . N parsed_6s3w 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -37.68 . " A" 257 . C " A" 258 . N " A" 258 . CA " A" 258 . C parsed_6s3w 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.74 . " A" 258 . N " A" 258 . CA " A" 258 . C " A" 259 . N parsed_6s3w 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.80 . " A" 258 . C " A" 259 . N " A" 259 . CA " A" 259 . C parsed_6s3w 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -15.56 . " A" 259 . N " A" 259 . CA " A" 259 . C " A" 260 . N parsed_6s3w 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -47.72 . " A" 259 . C " A" 260 . N " A" 260 . CA " A" 260 . C parsed_6s3w 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.76 . " A" 260 . N " A" 260 . CA " A" 260 . C " A" 261 . N parsed_6s3w 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.26 . " A" 260 . C " A" 261 . N " A" 261 . CA " A" 261 . C parsed_6s3w 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.98 . " A" 261 . N " A" 261 . CA " A" 261 . C " A" 262 . N parsed_6s3w 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.60 . " A" 261 . C " A" 262 . N " A" 262 . CA " A" 262 . C parsed_6s3w 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.90 . " A" 262 . N " A" 262 . CA " A" 262 . C " A" 263 . N parsed_6s3w 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -46.60 . " A" 262 . C " A" 263 . N " A" 263 . CA " A" 263 . C parsed_6s3w 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 6.54 . " A" 263 . N " A" 263 . CA " A" 263 . C " A" 264 . N parsed_6s3w 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.62 . " A" 263 . C " A" 264 . N " A" 264 . CA " A" 264 . C parsed_6s3w 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 2.00 . " A" 264 . N " A" 264 . CA " A" 264 . C " A" 265 . N parsed_6s3w 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -51.20 . " A" 264 . C " A" 265 . N " A" 265 . CA " A" 265 . C parsed_6s3w 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 30.54 . " A" 265 . N " A" 265 . CA " A" 265 . C " A" 266 . N parsed_6s3w 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -20.06 . " A" 265 . C " A" 266 . N " A" 266 . CA " A" 266 . C parsed_6s3w 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 170.00 . " A" 266 . N " A" 266 . CA " A" 266 . C " A" 267 . N parsed_6s3w 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -24.96 . " A" 266 . C " A" 267 . N " A" 267 . CA " A" 267 . C parsed_6s3w 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 178.50 . " A" 267 . N " A" 267 . CA " A" 267 . C " A" 268 . N parsed_6s3w 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -31.24 . " A" 267 . C " A" 268 . N " A" 268 . CA " A" 268 . C parsed_6s3w 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 164.78 . " A" 268 . N " A" 268 . CA " A" 268 . C " A" 269 . N parsed_6s3w 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -31.38 . " A" 268 . C " A" 269 . N " A" 269 . CA " A" 269 . C parsed_6s3w 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 180.62 . " A" 269 . N " A" 269 . CA " A" 269 . C " A" 270 . N parsed_6s3w 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -64.18 . " A" 270 . C " A" 271 . N " A" 271 . CA " A" 271 . C parsed_6s3w 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 29.66 . " A" 271 . N " A" 271 . CA " A" 271 . C " A" 272 . N parsed_6s3w 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -39.88 . " A" 271 . C " A" 272 . N " A" 272 . CA " A" 272 . C parsed_6s3w 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 180.48 . " A" 272 . N " A" 272 . CA " A" 272 . C " A" 273 . N parsed_6s3w 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -80.10 . " A" 272 . C " A" 273 . N " A" 273 . CA " A" 273 . C parsed_6s3w 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 167.50 . " A" 273 . N " A" 273 . CA " A" 273 . C " A" 274 . N parsed_6s3w 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -80.08 . " A" 276 . C " A" 277 . N " A" 277 . CA " A" 277 . C parsed_6s3w 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 179.50 . " A" 277 . N " A" 277 . CA " A" 277 . C " A" 278 . N parsed_6s3w 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -93.88 . " A" 277 . C " A" 278 . N " A" 278 . CA " A" 278 . C parsed_6s3w 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 159.32 . " A" 278 . N " A" 278 . CA " A" 278 . C " A" 279 . N parsed_6s3w 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -80.86 . " A" 278 . C " A" 279 . N " A" 279 . CA " A" 279 . C parsed_6s3w 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 152.26 . " A" 279 . N " A" 279 . CA " A" 279 . C " A" 280 . N parsed_6s3w 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -82.44 . " A" 279 . C " A" 280 . N " A" 280 . CA " A" 280 . C parsed_6s3w 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 156.60 . " A" 280 . N " A" 280 . CA " A" 280 . C " A" 281 . N parsed_6s3w 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -89.74 . " A" 280 . C " A" 281 . N " A" 281 . CA " A" 281 . C parsed_6s3w 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 149.96 . " A" 281 . N " A" 281 . CA " A" 281 . C " A" 282 . N parsed_6s3w 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -95.12 . " A" 281 . C " A" 282 . N " A" 282 . CA " A" 282 . C parsed_6s3w 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 175.06 . " A" 282 . N " A" 282 . CA " A" 282 . C " A" 283 . N parsed_6s3w 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -103.16 . " A" 282 . C " A" 283 . N " A" 283 . CA " A" 283 . C parsed_6s3w 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 171.30 . " A" 283 . N " A" 283 . CA " A" 283 . C " A" 284 . N parsed_6s3w 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -93.26 . " A" 283 . C " A" 284 . N " A" 284 . CA " A" 284 . C parsed_6s3w 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 180.64 . " A" 284 . N " A" 284 . CA " A" 284 . C " A" 285 . N parsed_6s3w 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.00 133.88 . " A" 287 . C " A" 288 . N " A" 288 . CA " A" 288 . C parsed_6s3w 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.00 16.48 . " A" 288 . N " A" 288 . CA " A" 288 . C " A" 289 . N parsed_6s3w 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -9.40 . " A" 288 . C " A" 289 . N " A" 289 . CA " A" 289 . C parsed_6s3w 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 168.18 . " A" 289 . N " A" 289 . CA " A" 289 . C " A" 290 . N parsed_6s3w 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -67.90 . " A" 289 . C " A" 290 . N " A" 290 . CA " A" 290 . C parsed_6s3w 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 150.16 . " A" 290 . N " A" 290 . CA " A" 290 . C " A" 291 . N parsed_6s3w 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -74.72 . " A" 291 . C " A" 292 . N " A" 292 . CA " A" 292 . C parsed_6s3w 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 169.36 . " A" 292 . N " A" 292 . CA " A" 292 . C " A" 293 . N parsed_6s3w 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -48.16 . " A" 292 . C " A" 293 . N " A" 293 . CA " A" 293 . C parsed_6s3w 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 170.06 . " A" 293 . N " A" 293 . CA " A" 293 . C " A" 294 . N parsed_6s3w 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -81.24 . " A" 293 . C " A" 294 . N " A" 294 . CA " A" 294 . C parsed_6s3w 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 163.36 . " A" 294 . N " A" 294 . CA " A" 294 . C " A" 295 . N parsed_6s3w 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.00 -29.46 . " A" 294 . C " A" 295 . N " A" 295 . CA " A" 295 . C parsed_6s3w 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 177.58 . " A" 295 . N " A" 295 . CA " A" 295 . C " A" 296 . N parsed_6s3w 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -119.70 . " A" 296 . C " A" 297 . N " A" 297 . CA " A" 297 . C parsed_6s3w 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 170.42 . " A" 297 . N " A" 297 . CA " A" 297 . C " A" 298 . N parsed_6s3w 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -65.34 . " A" 297 . C " A" 298 . N " A" 298 . CA " A" 298 . C parsed_6s3w 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 149.98 . " A" 298 . N " A" 298 . CA " A" 298 . C " A" 299 . N parsed_6s3w 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -79.86 . " A" 298 . C " A" 299 . N " A" 299 . CA " A" 299 . C parsed_6s3w 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -16.34 . " A" 302 . N " A" 302 . CA " A" 302 . C " A" 303 . N parsed_6s3w 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.84 . " A" 302 . C " A" 303 . N " A" 303 . CA " A" 303 . C parsed_6s3w 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -10.24 . " A" 303 . N " A" 303 . CA " A" 303 . C " A" 304 . N parsed_6s3w 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.92 . " A" 303 . C " A" 304 . N " A" 304 . CA " A" 304 . C parsed_6s3w 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -18.60 . " A" 304 . N " A" 304 . CA " A" 304 . C " A" 305 . N parsed_6s3w 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -26.62 . " A" 304 . C " A" 305 . N " A" 305 . CA " A" 305 . C parsed_6s3w 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -17.22 . " A" 305 . N " A" 305 . CA " A" 305 . C " A" 306 . N parsed_6s3w 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.76 . " A" 305 . C " A" 306 . N " A" 306 . CA " A" 306 . C parsed_6s3w 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -12.04 . " A" 306 . N " A" 306 . CA " A" 306 . C " A" 307 . N parsed_6s3w 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.92 . " A" 306 . C " A" 307 . N " A" 307 . CA " A" 307 . C parsed_6s3w 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -26.86 . " A" 307 . N " A" 307 . CA " A" 307 . C " A" 308 . N parsed_6s3w 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.14 . " A" 307 . C " A" 308 . N " A" 308 . CA " A" 308 . C parsed_6s3w 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.38 . " A" 308 . N " A" 308 . CA " A" 308 . C " A" 309 . N parsed_6s3w 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -44.50 . " A" 308 . C " A" 309 . N " A" 309 . CA " A" 309 . C parsed_6s3w 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.66 . " A" 309 . N " A" 309 . CA " A" 309 . C " A" 310 . N parsed_6s3w 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.96 . " A" 309 . C " A" 310 . N " A" 310 . CA " A" 310 . C parsed_6s3w 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -10.80 . " A" 310 . N " A" 310 . CA " A" 310 . C " A" 311 . N parsed_6s3w 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.16 . " A" 310 . C " A" 311 . N " A" 311 . CA " A" 311 . C parsed_6s3w 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -14.16 . " A" 311 . N " A" 311 . CA " A" 311 . C " A" 312 . N parsed_6s3w 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -38.96 . " A" 311 . C " A" 312 . N " A" 312 . CA " A" 312 . C parsed_6s3w 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -13.92 . " A" 312 . N " A" 312 . CA " A" 312 . C " A" 313 . N parsed_6s3w 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.40 . " A" 312 . C " A" 313 . N " A" 313 . CA " A" 313 . C parsed_6s3w 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -7.76 . " A" 313 . N " A" 313 . CA " A" 313 . C " A" 314 . N parsed_6s3w 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.18 . " A" 313 . C " A" 314 . N " A" 314 . CA " A" 314 . C parsed_6s3w 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 0.08 . " A" 314 . N " A" 314 . CA " A" 314 . C " A" 315 . N parsed_6s3w 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -49.04 . " A" 314 . C " A" 315 . N " A" 315 . CA " A" 315 . C parsed_6s3w 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -1.28 . " A" 315 . N " A" 315 . CA " A" 315 . C " A" 316 . N parsed_6s3w 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -67.28 . " A" 316 . C " A" 317 . N " A" 317 . CA " A" 317 . C parsed_6s3w 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 167.96 . " A" 317 . N " A" 317 . CA " A" 317 . C " A" 318 . N parsed_6s3w 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -31.12 . " A" 317 . C " A" 318 . N " A" 318 . CA " A" 318 . C parsed_6s3w 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 181.30 . " A" 318 . N " A" 318 . CA " A" 318 . C " A" 319 . N parsed_6s3w 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -34.64 . " A" 319 . C " A" 320 . N " A" 320 . CA " A" 320 . C parsed_6s3w 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 4.78 . " A" 320 . N " A" 320 . CA " A" 320 . C " A" 321 . N parsed_6s3w 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -32.04 . " A" 320 . C " A" 321 . N " A" 321 . CA " A" 321 . C parsed_6s3w 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 4.66 . " A" 321 . N " A" 321 . CA " A" 321 . C " A" 322 . N parsed_6s3w 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -42.72 . " A" 324 . C " A" 325 . N " A" 325 . CA " A" 325 . C parsed_6s3w 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 180.98 . " A" 325 . N " A" 325 . CA " A" 325 . C " A" 326 . N parsed_6s3w 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -30.26 . " A" 326 . C " A" 327 . N " A" 327 . CA " A" 327 . C parsed_6s3w 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 19.50 . " A" 327 . N " A" 327 . CA " A" 327 . C " A" 328 . N parsed_6s3w 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -39.46 . " A" 327 . C " A" 328 . N " A" 328 . CA " A" 328 . C parsed_6s3w 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.66 . " A" 328 . N " A" 328 . CA " A" 328 . C " A" 329 . N parsed_6s3w 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 -47.44 . " A" 328 . C " A" 329 . N " A" 329 . CA " A" 329 . C parsed_6s3w 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -19.70 . " A" 329 . N " A" 329 . CA " A" 329 . C " A" 330 . N parsed_6s3w 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -35.08 . " A" 329 . C " A" 330 . N " A" 330 . CA " A" 330 . C parsed_6s3w 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.00 -9.74 . " A" 330 . N " A" 330 . CA " A" 330 . C " A" 331 . N parsed_6s3w 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -26.22 . " A" 330 . C " A" 331 . N " A" 331 . CA " A" 331 . C parsed_6s3w 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -3.82 . " A" 331 . N " A" 331 . CA " A" 331 . C " A" 332 . N parsed_6s3w 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.00 -49.78 . " A" 331 . C " A" 332 . N " A" 332 . CA " A" 332 . C parsed_6s3w 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.00 -9.94 . " A" 332 . N " A" 332 . CA " A" 332 . C " A" 333 . N parsed_6s3w 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -90.68 . " A" 334 . C " A" 335 . N " A" 335 . CA " A" 335 . C parsed_6s3w 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 208.80 . " A" 335 . N " A" 335 . CA " A" 335 . C " A" 336 . N parsed_6s3w 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -86.70 . " A" 335 . C " A" 336 . N " A" 336 . CA " A" 336 . C parsed_6s3w 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 170.72 . " A" 336 . N " A" 336 . CA " A" 336 . C " A" 337 . N parsed_6s3w 1
125 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -91.80 . " A" 336 . C " A" 337 . N " A" 337 . CA " A" 337 . C parsed_6s3w 1
126 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 168.30 . " A" 337 . N " A" 337 . CA " A" 337 . C " A" 338 . N parsed_6s3w 1
127 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -78.98 . " A" 337 . C " A" 338 . N " A" 338 . CA " A" 338 . C parsed_6s3w 1
128 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 161.80 . " A" 338 . N " A" 338 . CA " A" 338 . C " A" 339 . N parsed_6s3w 1
129 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -85.96 . " A" 338 . C " A" 339 . N " A" 339 . CA " A" 339 . C parsed_6s3w 1
130 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 146.26 . " A" 339 . N " A" 339 . CA " A" 339 . C " A" 340 . N parsed_6s3w 1
131 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -78.54 . " A" 339 . C " A" 340 . N " A" 340 . CA " A" 340 . C parsed_6s3w 1
132 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 158.56 . " A" 340 . N " A" 340 . CA " A" 340 . C " A" 341 . N parsed_6s3w 1
133 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -59.68 . " A" 340 . C " A" 341 . N " A" 341 . CA " A" 341 . C parsed_6s3w 1
134 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 141.48 . " A" 341 . N " A" 341 . CA " A" 341 . C " A" 342 . N parsed_6s3w 1
135 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -28.94 . " A" 341 . C " A" 342 . N " A" 342 . CA " A" 342 . C parsed_6s3w 1
136 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 179.22 . " A" 342 . N " A" 342 . CA " A" 342 . C " A" 343 . N parsed_6s3w 1
137 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -98.68 . " A" 342 . C " A" 343 . N " A" 343 . CA " A" 343 . C parsed_6s3w 1
138 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.00 195.28 . " A" 343 . N " A" 343 . CA " A" 343 . C " A" 344 . N parsed_6s3w 1
139 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -40.10 . " B" 2 . C " B" 3 . N " B" 3 . CA " B" 3 . C parsed_6s3w 1
140 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.00 170.74 . " B" 3 . N " B" 3 . CA " B" 3 . C " B" 4 . N parsed_6s3w 1
141 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -53.76 . " B" 3 . C " B" 4 . N " B" 4 . CA " B" 4 . C parsed_6s3w 1
142 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 155.06 . " B" 4 . N " B" 4 . CA " B" 4 . C " B" 5 . N parsed_6s3w 1
143 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -69.12 . " B" 4 . C " B" 5 . N " B" 5 . CA " B" 5 . C parsed_6s3w 1
144 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 153.90 . " B" 5 . N " B" 5 . CA " B" 5 . C " B" 6 . N parsed_6s3w 1
145 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -69.84 . " B" 5 . C " B" 6 . N " B" 6 . CA " B" 6 . C parsed_6s3w 1
146 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 150.82 . " B" 6 . N " B" 6 . CA " B" 6 . C " B" 7 . N parsed_6s3w 1
147 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -67.16 . " B" 7 . C " B" 8 . N " B" 8 . CA " B" 8 . C parsed_6s3w 1
148 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.00 182.86 . " B" 8 . N " B" 8 . CA " B" 8 . C " B" 9 . N parsed_6s3w 1
149 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.00 -476.58 . " B" 8 . C " B" 9 . N " B" 9 . CA " B" 9 . C parsed_6s3w 1
150 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.00 235.56 . " B" 9 . N " B" 9 . CA " B" 9 . C " B" 10 . N parsed_6s3w 1
151 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.00 -54.20 . " B" 9 . C " B" 10 . N " B" 10 . CA " B" 10 . C parsed_6s3w 1
152 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.00 167.98 . " B" 10 . N " B" 10 . CA " B" 10 . C " B" 11 . N parsed_6s3w 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: torsion_angles_tola3.tbl" 1 1 1 45 parsed_6s3w 1
2 "# Restraints file 4: torsion_angles_tolbp.tbl" 416 1 416 45 parsed_6s3w 1
stop_
save_
Contact the webmaster for help, if required. Sunday, May 12, 2024 11:42:59 AM GMT (wattos1)