NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
42631 |
1z31   |
cing | 2-parsed | STAR | dipolar coupling | 65 |
data_1z31_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1z31
_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_1z31 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1z31
_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 1z31 "Master copy" parsed_1z31
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1z31
_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 1z31.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1z31 1
1 1z31.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 159 parsed_1z31 1
1 1z31.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 62 parsed_1z31 1
1 1z31.mr . . XPLOR/CNS 4 distance NOE simple 427 parsed_1z31 1
1 1z31.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1z31 1
1 1z31.mr . . XPLOR/CNS 6 distance NOE simple 1 parsed_1z31 1
1 1z31.mr . . XPLOR/CNS 7 planarity "Not applicable" "Not applicable" 0 parsed_1z31 1
1 1z31.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 65 parsed_1z31 1
1 1z31.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1z31 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_8
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_1z31
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . 13.49 . . . . . 257 . C1' . 257 . H1' parsed_1z31 1
2 . . . . . . . . . . . . . . . . 0.99 . . . . . 258 . C1' . 258 . H1' parsed_1z31 1
3 . . . . . . . . . . . . . . . . 23.98 . . . . . 258 . C2 . 258 . H2 parsed_1z31 1
4 . . . . . . . . . . . . . . . . 18.48 . . . . . 258 . C8 . 258 . H8 parsed_1z31 1
5 . . . . . . . . . . . . . . . . 4.5 . . . . . 259 . C1' . 259 . H1' parsed_1z31 1
6 . . . . . . . . . . . . . . . . 30.47 . . . . . 259 . C8 . 259 . H8 parsed_1z31 1
7 . . . . . . . . . . . . . . . . 41.96 . . . . . 260 . C8 . 260 . H8 parsed_1z31 1
8 . . . . . . . . . . . . . . . . 34.47 . . . . . 261 . C5 . 261 . H5 parsed_1z31 1
9 . . . . . . . . . . . . . . . . 50.47 . . . . . 261 . C6 . 261 . H6 parsed_1z31 1
10 . . . . . . . . . . . . . . . . -64.95 . . . . . 263 . C1' . 263 . H1' parsed_1z31 1
11 . . . . . . . . . . . . . . . . 37.46 . . . . . 263 . C8 . 263 . H8 parsed_1z31 1
12 . . . . . . . . . . . . . . . . 26.98 . . . . . 264 . C8 . 264 . H8 parsed_1z31 1
13 . . . . . . . . . . . . . . . . 42.46 . . . . . 265 . C3' . 265 . H3' parsed_1z31 1
14 . . . . . . . . . . . . . . . . 15.99 . . . . . 265 . C6 . 265 . H6 parsed_1z31 1
15 . . . . . . . . . . . . . . . . 4.99 . . . . . 268 . C1' . 268 . H1' parsed_1z31 1
16 . . . . . . . . . . . . . . . . 32.98 . . . . . 268 . C8 . 268 . H8 parsed_1z31 1
17 . . . . . . . . . . . . . . . . 5.00 . . . . . 269 . C1' . 269 . H1' parsed_1z31 1
18 . . . . . . . . . . . . . . . . 35.47 . . . . . 269 . C2 . 269 . H2 parsed_1z31 1
19 . . . . . . . . . . . . . . . . 26.47 . . . . . 269 . C8 . 269 . H8 parsed_1z31 1
20 . . . . . . . . . . . . . . . . 17.49 . . . . . 270 . C1' . 270 . H1' parsed_1z31 1
21 . . . . . . . . . . . . . . . . -4.00 . . . . . 270 . C2' . 270 . H2'' parsed_1z31 1
22 . . . . . . . . . . . . . . . . 42.46 . . . . . 270 . C3' . 270 . H3' parsed_1z31 1
23 . . . . . . . . . . . . . . . . 29.97 . . . . . 270 . C6 . 270 . H6 parsed_1z31 1
24 . . . . . . . . . . . . . . . . 6.49 . . . . . 271 . C1' . 271 . H1' parsed_1z31 1
25 . . . . . . . . . . . . . . . . 33.97 . . . . . 271 . C2' . 271 . H2'' parsed_1z31 1
26 . . . . . . . . . . . . . . . . 18.99 . . . . . 271 . C3' . 271 . H3' parsed_1z31 1
27 . . . . . . . . . . . . . . . . 43.97 . . . . . 271 . C5 . 271 . H5 parsed_1z31 1
28 . . . . . . . . . . . . . . . . 9.49 . . . . . 272 . C1' . 272 . H1' parsed_1z31 1
29 . . . . . . . . . . . . . . . . -8.49 . . . . . 272 . C3' . 272 . H3' parsed_1z31 1
30 . . . . . . . . . . . . . . . . -51.95 . . . . . 272 . C4' . 272 . H4' parsed_1z31 1
31 . . . . . . . . . . . . . . . . -34.98 . . . . . 284 . C1' . 284 . H1' parsed_1z31 1
32 . . . . . . . . . . . . . . . . -34.47 . . . . . 284 . C3' . 284 . H3' parsed_1z31 1
33 . . . . . . . . . . . . . . . . -11.48 . . . . . 284 . C4' . 284 . H4' parsed_1z31 1
34 . . . . . . . . . . . . . . . . 1.50 . . . . . 285 . C1' . 285 . H1' parsed_1z31 1
35 . . . . . . . . . . . . . . . . 21.49 . . . . . 285 . C3' . 285 . H3' parsed_1z31 1
36 . . . . . . . . . . . . . . . . 12.99 . . . . . 285 . C4' . 285 . H4' parsed_1z31 1
37 . . . . . . . . . . . . . . . . 17.48 . . . . . 285 . C8 . 285 . H8 parsed_1z31 1
38 . . . . . . . . . . . . . . . . -43.97 . . . . . 286 . C1' . 286 . H1' parsed_1z31 1
39 . . . . . . . . . . . . . . . . 32.98 . . . . . 286 . C8 . 286 . H8 parsed_1z31 1
40 . . . . . . . . . . . . . . . . -19.98 . . . . . 287 . C2' . 287 . H2'' parsed_1z31 1
41 . . . . . . . . . . . . . . . . 27.98 . . . . . 287 . C5 . 287 . H5 parsed_1z31 1
42 . . . . . . . . . . . . . . . . 34.48 . . . . . 287 . C6 . 287 . H6 parsed_1z31 1
43 . . . . . . . . . . . . . . . . 7.49 . . . . . 292 . C1' . 292 . H1' parsed_1z31 1
44 . . . . . . . . . . . . . . . . 5.49 . . . . . 292 . C4' . 292 . H4' parsed_1z31 1
45 . . . . . . . . . . . . . . . . 33.97 . . . . . 292 . C8 . 292 . H8 parsed_1z31 1
46 . . . . . . . . . . . . . . . . -33.96 . . . . . 293 . C1' . 293 . H1' parsed_1z31 1
47 . . . . . . . . . . . . . . . . -30.97 . . . . . 294 . C1' . 294 . H1' parsed_1z31 1
48 . . . . . . . . . . . . . . . . 8.49 . . . . . 294 . C5 . 294 . H5 parsed_1z31 1
49 . . . . . . . . . . . . . . . . 32.48 . . . . . 294 . C6 . 294 . H6 parsed_1z31 1
50 . . . . . . . . . . . . . . . . -38.97 . . . . . 295 . C1' . 295 . H1' parsed_1z31 1
51 . . . . . . . . . . . . . . . . 29.48 . . . . . 295 . C2 . 295 . H2 parsed_1z31 1
52 . . . . . . . . . . . . . . . . 39.97 . . . . . 295 . C8 . 295 . H8 parsed_1z31 1
53 . . . . . . . . . . . . . . . . -19.49 . . . . . 296 . C1' . 296 . H1' parsed_1z31 1
54 . . . . . . . . . . . . . . . . 18.98 . . . . . 296 . C2' . 296 . H2'' parsed_1z31 1
55 . . . . . . . . . . . . . . . . 33.47 . . . . . 296 . C5 . 296 . H5 parsed_1z31 1
56 . . . . . . . . . . . . . . . . 37.97 . . . . . 296 . C6 . 296 . H6 parsed_1z31 1
57 . . . . . . . . . . . . . . . . -20.98 . . . . . 297 . C1' . 297 . H1' parsed_1z31 1
58 . . . . . . . . . . . . . . . . 3.99 . . . . . 297 . C2' . 297 . H2'' parsed_1z31 1
59 . . . . . . . . . . . . . . . . 13.49 . . . . . 297 . C3' . 297 . H3' parsed_1z31 1
60 . . . . . . . . . . . . . . . . -7.50 . . . . . 298 . C1' . 298 . H1' parsed_1z31 1
61 . . . . . . . . . . . . . . . . 54.45 . . . . . 298 . C5 . 298 . H5 parsed_1z31 1
62 . . . . . . . . . . . . . . . . 18.98 . . . . . 298 . C6 . 298 . H6 parsed_1z31 1
63 . . . . . . . . . . . . . . . . 0.99 . . . . . 299 . C1' . 299 . H1' parsed_1z31 1
64 . . . . . . . . . . . . . . . . 27.97 . . . . . 299 . C2' . 299 . H2'' parsed_1z31 1
65 . . . . . . . . . . . . . . . . 19.98 . . . . . 299 . C6 . 299 . H6 parsed_1z31 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
;
htl2b RDCs measured in aprox 18mg/ml phage
fully labeled sample, 10 mM succinate buffer
with 0 mM NaCl, Da/R -48.0 and 0.25
V. Good 1.2, Good 1.6, Fair 2.0, Some OL 2.4
;
2 1 6 4 parsed_1z31 1
stop_
save_
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