NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
54041 |
2xbd   |
4241 | cing | 2-parsed | STAR | dihedral angle | 110 |
data_2xbd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2xbd
_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_2xbd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2xbd
_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 2xbd "Master copy" parsed_2xbd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2xbd
_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 2xbd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 2 distance NOE simple 687 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 3 distance NOE simple 7 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 52 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 5 distance NOE simple 60 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 6 distance NOE simple 151 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 7 distance NOE ambi 205 parsed_2xbd 1
1 2xbd.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_2xbd 1
1 2xbd.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 110 parsed_2xbd 1
1 2xbd.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_2xbd 1
1 2xbd.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2xbd 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2xbd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 248 . C . 249 . N . 249 . CA . 249 . C parsed_2xbd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 249 . C . 250 . N . 250 . CA . 250 . C parsed_2xbd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 250 . C . 251 . N . 251 . CA . 251 . C parsed_2xbd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 252 . C . 253 . N . 253 . CA . 253 . C parsed_2xbd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 255 . C . 256 . N . 256 . CA . 256 . C parsed_2xbd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 257 . C . 258 . N . 258 . CA . 258 . C parsed_2xbd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 258 . C . 259 . N . 259 . CA . 259 . C parsed_2xbd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 260 . C . 261 . N . 261 . CA . 261 . C parsed_2xbd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 262 . C . 263 . N . 263 . CA . 263 . C parsed_2xbd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 263 . C . 264 . N . 264 . CA . 264 . C parsed_2xbd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 265 . C . 266 . N . 266 . CA . 266 . C parsed_2xbd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 266 . C . 267 . N . 267 . CA . 267 . C parsed_2xbd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 267 . C . 268 . N . 268 . CA . 268 . C parsed_2xbd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 268 . C . 269 . N . 269 . CA . 269 . C parsed_2xbd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 269 . C . 270 . N . 270 . CA . 270 . C parsed_2xbd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 273 . C . 274 . N . 274 . CA . 274 . C parsed_2xbd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 274 . C . 275 . N . 275 . CA . 275 . C parsed_2xbd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 275 . C . 276 . N . 276 . CA . 276 . C parsed_2xbd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 276 . C . 277 . N . 277 . CA . 277 . C parsed_2xbd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 277 . C . 278 . N . 278 . CA . 278 . C parsed_2xbd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 278 . C . 279 . N . 279 . CA . 279 . C parsed_2xbd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 279 . C . 280 . N . 280 . CA . 280 . C parsed_2xbd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 280 . C . 281 . N . 281 . CA . 281 . C parsed_2xbd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 281 . C . 282 . N . 282 . CA . 282 . C parsed_2xbd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 283 . C . 284 . N . 284 . CA . 284 . C parsed_2xbd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 284 . C . 285 . N . 285 . CA . 285 . C parsed_2xbd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 285 . C . 286 . N . 286 . CA . 286 . C parsed_2xbd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 287 . C . 288 . N . 288 . CA . 288 . C parsed_2xbd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 288 . C . 289 . N . 289 . CA . 289 . C parsed_2xbd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 289 . C . 290 . N . 290 . CA . 290 . C parsed_2xbd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 290 . C . 291 . N . 291 . CA . 291 . C parsed_2xbd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 291 . C . 292 . N . 292 . CA . 292 . C parsed_2xbd 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 293 . C . 294 . N . 294 . CA . 294 . C parsed_2xbd 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 294 . C . 295 . N . 295 . CA . 295 . C parsed_2xbd 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 297 . C . 298 . N . 298 . CA . 298 . C parsed_2xbd 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 300 . C . 301 . N . 301 . CA . 301 . C parsed_2xbd 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 301 . C . 302 . N . 302 . CA . 302 . C parsed_2xbd 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 303 . C . 304 . N . 304 . CA . 304 . C parsed_2xbd 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 304 . C . 305 . N . 305 . CA . 305 . C parsed_2xbd 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 306 . C . 307 . N . 307 . CA . 307 . C parsed_2xbd 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 307 . C . 308 . N . 308 . CA . 308 . C parsed_2xbd 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 308 . C . 309 . N . 309 . CA . 309 . C parsed_2xbd 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -300.0 -60.0 . . 309 . C . 310 . N . 310 . CA . 310 . C parsed_2xbd 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 310 . C . 311 . N . 311 . CA . 311 . C parsed_2xbd 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 311 . C . 312 . N . 312 . CA . 312 . C parsed_2xbd 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 313 . C . 314 . N . 314 . CA . 314 . C parsed_2xbd 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 314 . C . 315 . N . 315 . CA . 315 . C parsed_2xbd 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 315 . C . 316 . N . 316 . CA . 316 . C parsed_2xbd 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 316 . C . 317 . N . 317 . CA . 317 . C parsed_2xbd 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 317 . C . 318 . N . 318 . CA . 318 . C parsed_2xbd 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 318 . C . 319 . N . 319 . CA . 319 . C parsed_2xbd 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 319 . C . 320 . N . 320 . CA . 320 . C parsed_2xbd 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 320 . C . 321 . N . 321 . CA . 321 . C parsed_2xbd 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 321 . C . 322 . N . 322 . CA . 322 . C parsed_2xbd 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 324 . C . 325 . N . 325 . CA . 325 . C parsed_2xbd 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 327 . C . 328 . N . 328 . CA . 328 . C parsed_2xbd 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 328 . C . 329 . N . 329 . CA . 329 . C parsed_2xbd 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 329 . C . 330 . N . 330 . CA . 330 . C parsed_2xbd 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 330 . C . 331 . N . 331 . CA . 331 . C parsed_2xbd 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 332 . C . 333 . N . 333 . CA . 333 . C parsed_2xbd 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 251 . N . 251 . CA . 251 . CB . 251 . CG1 parsed_2xbd 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 265 . N . 265 . CA . 265 . CB . 265 . CG1 parsed_2xbd 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 269 . N . 269 . CA . 269 . CB . 269 . CG1 parsed_2xbd 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 277 . N . 277 . CA . 277 . CB . 277 . CG1 parsed_2xbd 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 295 . N . 295 . CA . 295 . CB . 295 . CG1 parsed_2xbd 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 304 . N . 304 . CA . 304 . CB . 304 . CG1 parsed_2xbd 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 315 . N . 315 . CA . 315 . CB . 315 . CG1 parsed_2xbd 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 317 . N . 317 . CA . 317 . CB . 317 . CG1 parsed_2xbd 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 252 . N . 252 . CA . 252 . CB . 252 . OG1 parsed_2xbd 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 254 . N . 254 . CA . 254 . CB . 254 . OG1 parsed_2xbd 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 266 . N . 266 . CA . 266 . CB . 266 . OG1 parsed_2xbd 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 276 . N . 276 . CA . 276 . CB . 276 . OG1 parsed_2xbd 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 286 . N . 286 . CA . 286 . CB . 286 . OG1 parsed_2xbd 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 296 . N . 296 . CA . 296 . CB . 296 . OG1 parsed_2xbd 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 301 . N . 301 . CA . 301 . CB . 301 . OG1 parsed_2xbd 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 303 . N . 303 . CA . 303 . CB . 303 . OG1 parsed_2xbd 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 305 . N . 305 . CA . 305 . CB . 305 . OG1 parsed_2xbd 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 312 . N . 312 . CA . 312 . CB . 312 . OG1 parsed_2xbd 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 316 . N . 316 . CA . 316 . CB . 316 . OG1 parsed_2xbd 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 324 . N . 324 . CA . 324 . CB . 324 . OG1 parsed_2xbd 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 325 . N . 325 . CA . 325 . CB . 325 . OG1 parsed_2xbd 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 329 . N . 329 . CA . 329 . CB . 329 . OG1 parsed_2xbd 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 287 . N . 287 . CA . 287 . CB . 287 . CG1 parsed_2xbd 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 249 . N . 249 . CA . 249 . CB . 249 . SG parsed_2xbd 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 259 . N . 259 . CA . 259 . CB . 259 . CG parsed_2xbd 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 260 . N . 260 . CA . 260 . CB . 260 . OG parsed_2xbd 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 261 . N . 261 . CA . 261 . CB . 261 . CG parsed_2xbd 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 263 . N . 263 . CA . 263 . CB . 263 . CG parsed_2xbd 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 264 . N . 264 . CA . 264 . CB . 264 . CG parsed_2xbd 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 267 . N . 267 . CA . 267 . CB . 267 . CG parsed_2xbd 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 275 . N . 275 . CA . 275 . CB . 275 . CG parsed_2xbd 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 278 . N . 278 . CA . 278 . CB . 278 . CG parsed_2xbd 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 284 . N . 284 . CA . 284 . CB . 284 . OG parsed_2xbd 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 291 . N . 291 . CA . 291 . CB . 291 . CG parsed_2xbd 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 294 . N . 294 . CA . 294 . CB . 294 . CG parsed_2xbd 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 307 . N . 307 . CA . 307 . CB . 307 . CG parsed_2xbd 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 311 . N . 311 . CA . 311 . CB . 311 . CG parsed_2xbd 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 313 . N . 313 . CA . 313 . CB . 313 . CG parsed_2xbd 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 320 . N . 320 . CA . 320 . CB . 320 . CG parsed_2xbd 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 255 . N . 255 . CA . 255 . CB . 255 . CG parsed_2xbd 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 257 . N . 257 . CA . 257 . CB . 257 . CG parsed_2xbd 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 262 . N . 262 . CA . 262 . CB . 262 . CG parsed_2xbd 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 279 . N . 279 . CA . 279 . CB . 279 . CG parsed_2xbd 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 281 . N . 281 . CA . 281 . CB . 281 . CG parsed_2xbd 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 285 . N . 285 . CA . 285 . CB . 285 . CG parsed_2xbd 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 288 . N . 288 . CA . 288 . CB . 288 . CG parsed_2xbd 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 302 . N . 302 . CA . 302 . CB . 302 . CG parsed_2xbd 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 318 . N . 318 . CA . 318 . CB . 318 . CG parsed_2xbd 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 319 . N . 319 . CA . 319 . CB . 319 . CG parsed_2xbd 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 279 . ca . 279 . cb . 279 . cg . 279 . cd1 parsed_2xbd 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "MANUAL CONSTRAINT" 1 1 2 19 parsed_2xbd 1
2 "RESIDUE s 250 , J= 9.32487" 5 1 7 2 parsed_2xbd 1
3 "RESIDUE v 251 , J= 9.85606" 10 1 12 2 parsed_2xbd 1
4 "RESIDUE a 253 , J= 8.32704" 15 1 17 2 parsed_2xbd 1
5
;
RESIDUE r 255 , J= 5.98807
residue 255 not included (averaging?)
RESIDUE a 256 , J= 10.1132
;
20 1 26 2 parsed_2xbd 1
6 "RESIDUE e 258 , J= 8.24499" 29 1 31 2 parsed_2xbd 1
7 "RESIDUE w 259 , J= 10.3911" 34 1 36 2 parsed_2xbd 1
8 "RESIDUE d 261 , J= 9.19614" 39 1 41 2 parsed_2xbd 1
9 "RESIDUE f 263 , J= 7.68504" 44 1 46 2 parsed_2xbd 1
10 "RESIDUE n 264 , J= 9.29819" 49 1 51 2 parsed_2xbd 1
11 "RESIDUE t 266 , J= 10.5556" 54 1 56 2 parsed_2xbd 1
12 "RESIDUE y 267 , J= 10.3098" 59 1 61 2 parsed_2xbd 1
13 "RESIDUE s 268 , J= 10.5153" 64 1 66 2 parsed_2xbd 1
14 "RESIDUE v 269 , J= 8.83689" 69 1 71 2 parsed_2xbd 1
15 "RESIDUE s 270 , J= 9.90783" 74 1 76 2 parsed_2xbd 1
16 "RESIDUE a 274 , J= 9.66204" 79 1 81 2 parsed_2xbd 1
17 "RESIDUE w 275 , J= 8.29659" 84 1 86 2 parsed_2xbd 1
18 "RESIDUE t 276 , J= 9.75026" 89 1 91 2 parsed_2xbd 1
19 "RESIDUE v 277 , J= 9.95814" 94 1 96 2 parsed_2xbd 1
20 "RESIDUE n 278 , J= 10.4758" 99 1 101 2 parsed_2xbd 1
21 "RESIDUE l 279 , J= 10.3049" 104 1 106 2 parsed_2xbd 1
22 "RESIDUE a 280 , J= 9.53692" 109 1 111 2 parsed_2xbd 1
23 "RESIDUE l 281 , J= 7.46576" 114 1 116 2 parsed_2xbd 1
24 "RESIDUE n 282 , J= 9.40987" 119 1 121 2 parsed_2xbd 1
25 "RESIDUE s 284 , J= 9.81298" 124 1 126 2 parsed_2xbd 1
26 "RESIDUE q 285 , J= 3.1265" 129 1 131 2 parsed_2xbd 1
27 "RESIDUE t 286 , J= 8.95684" 134 1 136 2 parsed_2xbd 1
28 "RESIDUE q 288 , J= 8.13875" 139 1 141 2 parsed_2xbd 1
29 "RESIDUE a 289 , J= 7.08301" 144 1 146 2 parsed_2xbd 1
30 "RESIDUE s 290 , J= 8.01297" 149 1 151 2 parsed_2xbd 1
31 "RESIDUE w 291 , J= 8.66724" 154 1 156 2 parsed_2xbd 1
32
;
RESIDUE n 292 , J= 7.20071
POSITIVE PHI ANGLE!
;
159 1 162 21 parsed_2xbd 1
33 "RESIDUE n 294 , J= 9.64394" 166 1 168 2 parsed_2xbd 1
34 "RESIDUE v 295 , J= 9.99516" 171 1 173 2 parsed_2xbd 1
35 "RESIDUE s 298 , J= 8.86279" 176 1 178 2 parsed_2xbd 1
36 "RESIDUE t 301 , J= 9.31959" 181 1 183 2 parsed_2xbd 1
37 "RESIDUE r 302 , J= 9.37125" 186 1 188 2 parsed_2xbd 1
38 "RESIDUE v 304 , J= 10.331" 191 1 193 2 parsed_2xbd 1
39 "RESIDUE t 305 , J= 9.23342" 196 1 198 2 parsed_2xbd 1
40 "RESIDUE n 307 , J= 10.2322" 201 1 203 2 parsed_2xbd 1
41 "RESIDUE g 308 , MANUAL CONSTRAINT" 206 1 208 2 parsed_2xbd 1
42 "RESIDUE s 309 , J= 9.18526" 211 1 213 2 parsed_2xbd 1
43 "RESIDUE g 310 , MANUAL CONSTRAINT" 216 1 218 2 parsed_2xbd 1
44 "RESIDUE n 311 , J= 8.94041" 221 1 223 2 parsed_2xbd 1
45 "RESIDUE t 312 , J= 10.3194" 226 1 228 2 parsed_2xbd 1
46 "RESIDUE g 314 , MANUAL CONSTRAINT" 231 1 233 2 parsed_2xbd 1
47 "RESIDUE v 315 , J= 9.20745" 236 1 238 2 parsed_2xbd 1
48 "RESIDUE t 316 , J= 10.7782" 241 1 243 2 parsed_2xbd 1
49 "RESIDUE v 317 , J= 9.71963" 246 1 248 2 parsed_2xbd 1
50 "RESIDUE m 318 , J= 8.81615" 251 1 253 2 parsed_2xbd 1
51 "RESIDUE k 319 , J= 3.97355" 256 1 258 2 parsed_2xbd 1
52
;
RESIDUE n 320 , J= 6.71343
POSITIVE PHI ANGLE!
;
261 1 264 21 parsed_2xbd 1
53 "RESIDUE g 321 , MANUAL CONSTRAINT" 269 1 271 2 parsed_2xbd 1
54 "RESIDUE s 322 , J= 9.95454" 274 1 276 2 parsed_2xbd 1
55
;
RESIDUE s 323 , J= 6.91934
residue 323 not included (averaging?)
RESIDUE t 325 , J= 2.87215
;
279 1 285 2 parsed_2xbd 1
56
;
RESIDUE a 327 , J= 6.40207
residue 327 not included (averaging?)
RESIDUE a 328 , J= 9.47504
;
288 1 294 2 parsed_2xbd 1
57 "RESIDUE t 329 , J= 9.98202" 297 1 299 2 parsed_2xbd 1
58 "RESIDUE c 330 , J= 9.14034" 302 1 304 2 parsed_2xbd 1
59 "RESIDUE a 331 , J= 8.6369" 307 1 309 2 parsed_2xbd 1
60 "RESIDUE s 333 , J= 8.69409" 312 1 314 2 parsed_2xbd 1
61
;
Chi1s added manually below 05mar98
VALINES
;
317 1 321 9 parsed_2xbd 1
62 VAL 323 80 323 84 parsed_2xbd 1
63 VAL 325 80 325 84 parsed_2xbd 1
64 VAL 327 80 327 84 parsed_2xbd 1
65 VAL 329 80 329 84 parsed_2xbd 1
66 VAL 331 80 331 84 parsed_2xbd 1
67 VAL 333 80 333 84 parsed_2xbd 1
68 VAL 335 80 335 84 parsed_2xbd 1
69
;
VAL
THREONINES
;
337 80 339 12 parsed_2xbd 1
70 THR 341 79 341 83 parsed_2xbd 1
71 THR 343 79 343 83 parsed_2xbd 1
72 THR 345 80 345 84 parsed_2xbd 1
73 THR 347 80 347 84 parsed_2xbd 1
74 THR 349 79 349 83 parsed_2xbd 1
75 THR 351 79 351 83 parsed_2xbd 1
76 THR 353 79 353 83 parsed_2xbd 1
77 THR 355 80 355 84 parsed_2xbd 1
78 THR 357 79 357 83 parsed_2xbd 1
79 THR 359 80 359 84 parsed_2xbd 1
80 THR 361 80 361 84 parsed_2xbd 1
81 THR 363 80 363 84 parsed_2xbd 1
82 THR 365 79 365 83 parsed_2xbd 1
83
;
THR
ISOLEUCINE
;
367 79 369 12 parsed_2xbd 1
84
;
ILE
AMX
;
371 79 373 5 parsed_2xbd 1
85 CYS 375 78 375 82 parsed_2xbd 1
86 TRP 377 79 377 83 parsed_2xbd 1
87 SER 379 78 379 82 parsed_2xbd 1
88 ASP 381 78 381 82 parsed_2xbd 1
89 PHE 383 78 383 82 parsed_2xbd 1
90 ASN 385 79 385 83 parsed_2xbd 1
91 TYR 387 79 387 83 parsed_2xbd 1
92 TRP 389 78 389 82 parsed_2xbd 1
93 ASN 391 80 391 84 parsed_2xbd 1
94 SER 393 78 393 82 parsed_2xbd 1
95 TRP 395 78 395 82 parsed_2xbd 1
96 ASN 397 79 397 83 parsed_2xbd 1
97 ASN 399 78 399 82 parsed_2xbd 1
98 ASN 401 79 401 83 parsed_2xbd 1
99 PHE 403 78 403 82 parsed_2xbd 1
100
;
ASN
assign (resid 330 and name N) (resid 330 and name CA)
(resid 330 and name CB) (resid 330 and name SG) 1.0 180.0 30.0 2 !CYS
OTHERS
;
405 79 409 8 parsed_2xbd 1
101 ARG 411 78 411 82 parsed_2xbd 1
102 GLU 413 79 413 83 parsed_2xbd 1
103 ARG 415 78 415 82 parsed_2xbd 1
104 LEU 417 79 417 83 parsed_2xbd 1
105 LEU 419 79 419 83 parsed_2xbd 1
106 GLN 421 79 421 83 parsed_2xbd 1
107 GLN 423 80 423 84 parsed_2xbd 1
108 ARG 425 79 425 83 parsed_2xbd 1
109 MET 427 79 427 83 parsed_2xbd 1
110
;
LYS
Chi2s added manually below
;
429 79 432 2 parsed_2xbd 1
stop_
save_
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