NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
31341 |
1e5c   |
4623 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 99 |
data_1e5c_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1e5c
_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_1e5c 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1e5c
_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 1e5c "Master copy" parsed_1e5c
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1e5c
_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 1e5c.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 3 distance NOE simple 470 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 4 distance NOE simple 55 parsed_1e5c 1
1 1e5c.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 6 distance NOE simple 308 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 7 distance "general distance" simple 76 parsed_1e5c 1
1 1e5c.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 9 distance NOE ambi 180 parsed_1e5c 1
1 1e5c.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 99 parsed_1e5c 1
1 1e5c.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1e5c 1
1 1e5c.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1e5c 1
stop_
save_
save_CNS/XPLOR_dihedral_11
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1e5c
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 11
_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_1e5c 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 249 . C . 250 . N . 250 . CA . 250 . C parsed_1e5c 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 250 . C . 251 . N . 251 . CA . 251 . C parsed_1e5c 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 251 . C . 252 . N . 252 . CA . 252 . C parsed_1e5c 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 252 . C . 253 . N . 253 . CA . 253 . C parsed_1e5c 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 255 . C . 256 . N . 256 . CA . 256 . C parsed_1e5c 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 257 . C . 258 . N . 258 . CA . 258 . C parsed_1e5c 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 258 . C . 259 . N . 259 . CA . 259 . C parsed_1e5c 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 260 . C . 261 . N . 261 . CA . 261 . C parsed_1e5c 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 262 . C . 263 . N . 263 . CA . 263 . C parsed_1e5c 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 263 . C . 264 . N . 264 . CA . 264 . C parsed_1e5c 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 265 . C . 266 . N . 266 . CA . 266 . C parsed_1e5c 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 266 . C . 267 . N . 267 . CA . 267 . C parsed_1e5c 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 268 . C . 269 . N . 269 . CA . 269 . C parsed_1e5c 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 269 . C . 270 . N . 270 . CA . 270 . C parsed_1e5c 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 272 . C . 273 . N . 273 . CA . 273 . C parsed_1e5c 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 273 . C . 274 . N . 274 . CA . 274 . C parsed_1e5c 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 274 . C . 275 . N . 275 . CA . 275 . C parsed_1e5c 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 275 . C . 276 . N . 276 . CA . 276 . C parsed_1e5c 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 276 . C . 277 . N . 277 . CA . 277 . C parsed_1e5c 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 278 . C . 279 . N . 279 . CA . 279 . C parsed_1e5c 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 279 . C . 280 . N . 280 . CA . 280 . C parsed_1e5c 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 280 . C . 281 . N . 281 . CA . 281 . C parsed_1e5c 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 281 . C . 282 . N . 282 . CA . 282 . C parsed_1e5c 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 283 . C . 284 . N . 284 . CA . 284 . C parsed_1e5c 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 284 . C . 285 . N . 285 . CA . 285 . C parsed_1e5c 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 285 . C . 286 . N . 286 . CA . 286 . C parsed_1e5c 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 286 . C . 287 . N . 287 . CA . 287 . C parsed_1e5c 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 287 . C . 288 . N . 288 . CA . 288 . C parsed_1e5c 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 289 . C . 290 . N . 290 . CA . 290 . C parsed_1e5c 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 290 . C . 291 . N . 291 . CA . 291 . C parsed_1e5c 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 291 . C . 292 . N . 292 . CA . 292 . C parsed_1e5c 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 293 . C . 294 . N . 294 . CA . 294 . C parsed_1e5c 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 295 . C . 296 . N . 296 . CA . 296 . C parsed_1e5c 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 297 . C . 298 . N . 298 . CA . 298 . C parsed_1e5c 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 300 . C . 301 . N . 301 . CA . 301 . C parsed_1e5c 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 301 . C . 302 . N . 302 . CA . 302 . C parsed_1e5c 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 303 . C . 304 . N . 304 . CA . 304 . C parsed_1e5c 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 304 . C . 305 . N . 305 . CA . 305 . C parsed_1e5c 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 306 . C . 307 . N . 307 . CA . 307 . C parsed_1e5c 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -300.0 -60.0 . . 307 . C . 308 . N . 308 . CA . 308 . C parsed_1e5c 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 308 . C . 309 . N . 309 . CA . 309 . C parsed_1e5c 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -300.0 -60.0 . . 309 . C . 310 . N . 310 . CA . 310 . C parsed_1e5c 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 311 . C . 312 . N . 312 . CA . 312 . C parsed_1e5c 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 312 . C . 313 . N . 313 . CA . 313 . C parsed_1e5c 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 313 . C . 314 . N . 314 . CA . 314 . C parsed_1e5c 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 314 . C . 315 . N . 315 . CA . 315 . C parsed_1e5c 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 315 . C . 316 . N . 316 . CA . 316 . C parsed_1e5c 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 316 . C . 317 . N . 317 . CA . 317 . C parsed_1e5c 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 318 . C . 319 . N . 319 . CA . 319 . C parsed_1e5c 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 319 . C . 320 . N . 320 . CA . 320 . C parsed_1e5c 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 321 . C . 322 . N . 322 . CA . 322 . C parsed_1e5c 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 323 . C . 324 . N . 324 . CA . 324 . C parsed_1e5c 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -20.0 . . 324 . C . 325 . N . 325 . CA . 325 . C parsed_1e5c 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 327 . C . 328 . N . 328 . CA . 328 . C parsed_1e5c 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 328 . C . 329 . N . 329 . CA . 329 . C parsed_1e5c 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 329 . C . 330 . N . 330 . CA . 330 . C parsed_1e5c 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 330 . C . 331 . N . 331 . CA . 331 . C parsed_1e5c 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 332 . C . 333 . N . 333 . CA . 333 . C parsed_1e5c 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 210.0 . . 251 . N . 251 . CA . 251 . CB . 251 . CG1 parsed_1e5c 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 265 . N . 265 . CA . 265 . CB . 265 . CG1 parsed_1e5c 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 269 . N . 269 . CA . 269 . CB . 269 . CG1 parsed_1e5c 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 277 . N . 277 . CA . 277 . CB . 277 . CG1 parsed_1e5c 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 304 . N . 304 . CA . 304 . CB . 304 . CG1 parsed_1e5c 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 315 . N . 315 . CA . 315 . CB . 315 . CG1 parsed_1e5c 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 317 . N . 317 . CA . 317 . CB . 317 . CG1 parsed_1e5c 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 254 . N . 254 . CA . 254 . CB . 254 . OG1 parsed_1e5c 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 276 . N . 276 . CA . 276 . CB . 276 . OG1 parsed_1e5c 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 286 . N . 286 . CA . 286 . CB . 286 . OG1 parsed_1e5c 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 296 . N . 296 . CA . 296 . CB . 296 . OG1 parsed_1e5c 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 301 . N . 301 . CA . 301 . CB . 301 . OG1 parsed_1e5c 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 303 . N . 303 . CA . 303 . CB . 303 . OG1 parsed_1e5c 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 305 . N . 305 . CA . 305 . CB . 305 . OG1 parsed_1e5c 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 312 . N . 312 . CA . 312 . CB . 312 . OG1 parsed_1e5c 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 316 . N . 316 . CA . 316 . CB . 316 . OG1 parsed_1e5c 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 329 . N . 329 . CA . 329 . CB . 329 . OG1 parsed_1e5c 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 287 . N . 287 . CA . 287 . CB . 287 . CG1 parsed_1e5c 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 249 . N . 249 . CA . 249 . CB . 249 . SG parsed_1e5c 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 259 . N . 259 . CA . 259 . CB . 259 . CG parsed_1e5c 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 263 . N . 263 . CA . 263 . CB . 263 . CG parsed_1e5c 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -30.0 . . 264 . N . 264 . CA . 264 . CB . 264 . CG parsed_1e5c 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 267 . N . 267 . CA . 267 . CB . 267 . CG parsed_1e5c 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 275 . N . 275 . CA . 275 . CB . 275 . CG parsed_1e5c 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 282 . N . 282 . CA . 282 . CB . 282 . CG parsed_1e5c 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 284 . N . 284 . CA . 284 . CB . 284 . OG parsed_1e5c 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 291 . N . 291 . CA . 291 . CB . 291 . CG parsed_1e5c 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 294 . N . 294 . CA . 294 . CB . 294 . CG parsed_1e5c 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 311 . N . 311 . CA . 311 . CB . 311 . CG parsed_1e5c 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 313 . N . 313 . CA . 313 . CB . 313 . CG parsed_1e5c 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 320 . N . 320 . CA . 320 . CB . 320 . CG parsed_1e5c 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 330 . N . 330 . CA . 330 . CB . 330 . SG parsed_1e5c 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 255 . N . 255 . CA . 255 . CB . 255 . CG parsed_1e5c 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 257 . N . 257 . CA . 257 . CB . 257 . CG parsed_1e5c 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 279 . N . 279 . CA . 279 . CB . 279 . CG parsed_1e5c 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 281 . N . 281 . CA . 281 . CB . 281 . CG parsed_1e5c 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 285 . N . 285 . CA . 285 . CB . 285 . CG parsed_1e5c 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 302 . N . 302 . CA . 302 . CB . 302 . CG parsed_1e5c 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 318 . N . 318 . CA . 318 . CB . 318 . CG parsed_1e5c 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 90.0 . . 319 . N . 319 . CA . 319 . CB . 319 . CG parsed_1e5c 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 "RESIDUE c 249 , J= 7.19157" 1 1 2 2 parsed_1e5c 1
2 "RESIDUE s 250 , J= 9.21724" 5 1 7 2 parsed_1e5c 1
3 "RESIDUE v 251 , J= 9.46651" 10 1 12 2 parsed_1e5c 1
4 "RESIDUE t 252 , J= 10.1523" 15 1 17 2 parsed_1e5c 1
5 "RESIDUE a 253 , J= 8.73215" 20 1 22 2 parsed_1e5c 1
6
;
RESIDUE r 255 , J= 5.69285
residue 255 not included (averaging?)
RESIDUE a 256 , J= 9.94843
;
25 1 31 2 parsed_1e5c 1
7 "RESIDUE e 258 , J= 9.03368" 34 1 36 2 parsed_1e5c 1
8 "RESIDUE w 259 , J= 7.92529" 39 1 41 2 parsed_1e5c 1
9 "RESIDUE d 261 , J= 9.20569" 44 1 46 2 parsed_1e5c 1
10 "RESIDUE f 263 , J= 7.32867" 49 1 51 2 parsed_1e5c 1
11 "RESIDUE n 264 , J= 9.70431" 54 1 56 2 parsed_1e5c 1
12 "RESIDUE t 266 , J= 11.592" 59 1 61 2 parsed_1e5c 1
13 "RESIDUE v 267 , J= 11.5993" 64 1 66 2 parsed_1e5c 1
14 "RESIDUE v 269 , J= 7.99658" 69 1 71 2 parsed_1e5c 1
15 "RESIDUE s 270 , J= 9.1987" 74 1 76 2 parsed_1e5c 1
16
;
RESIDUE s 272 , J= 6.40956
residue 272 not included (averaging?)
RESIDUE s 273 , J= 8.33573
;
79 1 85 2 parsed_1e5c 1
17 "RESIDUE a 274 , J= 9.53433" 88 1 90 2 parsed_1e5c 1
18 "RESIDUE w 275 , J= 8.14538" 93 1 95 2 parsed_1e5c 1
19 "RESIDUE t 276 , J= 9.6123" 98 1 100 2 parsed_1e5c 1
20 "RESIDUE v 277 , J= 10.2675" 103 1 105 2 parsed_1e5c 1
21 "RESIDUE l 279 , J= 9.71246" 108 1 110 2 parsed_1e5c 1
22 "RESIDUE a 280 , J= 9.85344" 113 1 115 2 parsed_1e5c 1
23 "RESIDUE l 281 , J= 7.56508" 118 1 120 2 parsed_1e5c 1
24 "RESIDUE n 282 , J= 8.51115" 123 1 125 2 parsed_1e5c 1
25 "RESIDUE s 284 , J= 9.33705" 128 1 130 2 parsed_1e5c 1
26 "RESIDUE q 285 , J= 3.67519" 133 1 135 2 parsed_1e5c 1
27 "RESIDUE t 286 , J= 8.72853" 138 1 140 2 parsed_1e5c 1
28 "RESIDUE i 287 , J= 9.61923" 143 1 145 2 parsed_1e5c 1
29 "RESIDUE q 288 , J= 9.44926" 148 1 150 2 parsed_1e5c 1
30
;
RESIDUE a 289 , J= 6.35752
residue 289 not included (averaging?)
RESIDUE s 290 , J= 7.20324
;
153 1 159 2 parsed_1e5c 1
31 "RESIDUE w 291 , J= 8.47434" 162 1 164 2 parsed_1e5c 1
32
;
RESIDUE n 292 , J= 7.62404
POSITIVE PHI ANGLE!
;
167 1 170 21 parsed_1e5c 1
33
;
RESIDUE a 293 , J= 5.79518
residue 293 not included (averaging?)
RESIDUE n 294 , J= 9.85455
;
174 1 180 2 parsed_1e5c 1
34 "RESIDUE t 296 , J= 10.114" 183 1 185 2 parsed_1e5c 1
35 "RESIDUE s 298 , J= 8.97391" 188 1 190 2 parsed_1e5c 1
36 "RESIDUE t 301 , J= 10.1372" 193 1 195 2 parsed_1e5c 1
37 "RESIDUE r 302 , J= 9.07405" 198 1 200 2 parsed_1e5c 1
38 "RESIDUE v 304 , J= 10.1679" 203 1 205 2 parsed_1e5c 1
39 "RESIDUE t 305 , J= 8.04906" 208 1 210 2 parsed_1e5c 1
40 "RESIDUE n 307 , J= 11.9988" 213 1 215 2 parsed_1e5c 1
41 "RESIDUE g 308 , MANUAL CONSTRAINT" 218 1 220 2 parsed_1e5c 1
42 "RESIDUE s 309 , J= 7.95409" 223 1 225 2 parsed_1e5c 1
43 "RESIDUE g 310 , MANUAL CONSTRAINT" 228 1 230 2 parsed_1e5c 1
44
;
RESIDUE n 311 , J= 6.80389
residue 311 not included (averaging?)
RESIDUE t 312 , J= 9.64183
;
233 1 239 2 parsed_1e5c 1
45 "RESIDUE f 313 , J= 8.4417" 242 1 244 2 parsed_1e5c 1
46 "RESIDUE g 314 , MANUAL CONSTRAINT" 247 1 249 2 parsed_1e5c 1
47 "RESIDUE v 315 , J= 8.58822" 252 1 254 2 parsed_1e5c 1
48 "RESIDUE t 316 , J= 11.1643" 257 1 259 2 parsed_1e5c 1
49 "RESIDUE v 317 , J= 9.51235" 262 1 264 2 parsed_1e5c 1
50 "RESIDUE k 319 , J= 4.12751" 267 1 269 2 parsed_1e5c 1
51
;
RESIDUE n 320 , J= 5.92063
POSITIVE PHI ANGLE!
;
272 1 275 21 parsed_1e5c 1
52 "RESIDUE s 322 , J= 9.90561" 280 1 282 2 parsed_1e5c 1
53 "RESIDUE t 324 , J= 3.78207" 285 1 287 2 parsed_1e5c 1
54 "RESIDUE t 325 , J= 4.19303" 290 1 292 2 parsed_1e5c 1
55
;
RESIDUE a 327 , J= 5.9201
residue 327 not included (averaging?)
RESIDUE a 328 , J= 9.10488
;
295 1 301 2 parsed_1e5c 1
56 "RESIDUE t 329 , J= 9.58226" 304 1 306 2 parsed_1e5c 1
57 "RESIDUE c 330 , J= 8.50283" 309 1 311 2 parsed_1e5c 1
58 "RESIDUE a 331 , J= 8.67678" 314 1 316 2 parsed_1e5c 1
59 "RESIDUE s 333 , J= 8.46544" 319 1 321 2 parsed_1e5c 1
60
;
Chi1 constraints added manually below 01jul99
VALINES
;
324 1 327 9 parsed_1e5c 1
61 VAL 329 79 329 83 parsed_1e5c 1
62 VAL 331 80 331 84 parsed_1e5c 1
63 VAL 333 80 333 84 parsed_1e5c 1
64 VAL 335 80 335 84 parsed_1e5c 1
65 VAL 337 80 337 84 parsed_1e5c 1
66 VAL 339 80 339 84 parsed_1e5c 1
67
;
VAL
THREONINES
;
341 80 343 12 parsed_1e5c 1
68 THR 345 80 345 84 parsed_1e5c 1
69 THR 347 80 347 84 parsed_1e5c 1
70 THR 349 79 349 83 parsed_1e5c 1
71 THR 351 79 351 83 parsed_1e5c 1
72 THR 353 79 353 83 parsed_1e5c 1
73 THR 355 80 355 84 parsed_1e5c 1
74 THR 357 79 357 83 parsed_1e5c 1
75 THR 359 80 359 84 parsed_1e5c 1
76 THR 361 80 361 84 parsed_1e5c 1
77
;
THR
ISOLEUCINE
;
363 79 365 12 parsed_1e5c 1
78
;
ILE
AMX
;
367 79 369 5 parsed_1e5c 1
79 CYS 371 78 371 82 parsed_1e5c 1
80 TRP 373 78 373 82 parsed_1e5c 1
81 PHE 375 78 375 82 parsed_1e5c 1
82 ASN 377 80 377 84 parsed_1e5c 1
83 TYR 379 79 379 83 parsed_1e5c 1
84 TRP 381 78 381 82 parsed_1e5c 1
85 ASN 383 79 383 83 parsed_1e5c 1
86 SER 385 78 385 82 parsed_1e5c 1
87 TRP 387 78 387 82 parsed_1e5c 1
88 ASN 389 79 389 83 parsed_1e5c 1
89 ASN 391 79 391 83 parsed_1e5c 1
90 PHE 393 78 393 82 parsed_1e5c 1
91 ASN 395 79 395 83 parsed_1e5c 1
92
;
CYS
OTHERS
;
397 79 398 8 parsed_1e5c 1
93 ARG 400 79 400 83 parsed_1e5c 1
94 GLU 402 79 402 83 parsed_1e5c 1
95 LEU 404 79 404 83 parsed_1e5c 1
96 LEU 406 79 406 83 parsed_1e5c 1
97 GLN 408 79 408 83 parsed_1e5c 1
98 ARG 410 79 410 83 parsed_1e5c 1
99 MET 412 78 412 82 parsed_1e5c 1
100 LYS 414 78 414 82 parsed_1e5c 1
stop_
save_
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