NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
594063 |
2n5t   |
25731 | cing | 2-parsed | STAR | dipolar coupling | 69 |
data_2n5t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n5t
_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_2n5t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n5t
_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 2n5t "Master copy" parsed_2n5t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n5t
_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 2n5t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n5t 1
1 2n5t.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 69 parsed_2n5t 1
1 2n5t.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2n5t 1
1 2n5t.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n5t 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2n5t
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 33.0346 . . . . . 283 . N . 283 . HN parsed_2n5t 1
2 . . . . . . . . . . . . . . . . 3.2624 . . . . . 288 . N . 288 . HN parsed_2n5t 1
3 . . . . . . . . . . . . . . . . -19.091 . . . . . 291 . N . 291 . HN parsed_2n5t 1
4 . . . . . . . . . . . . . . . . -4.8906 . . . . . 330 . N . 330 . HN parsed_2n5t 1
5 . . . . . . . . . . . . . . . . -10.79 . . . . . 331 . N . 331 . HN parsed_2n5t 1
6 . . . . . . . . . . . . . . . . 1.0924 . . . . . 332 . N . 332 . HN parsed_2n5t 1
7 . . . . . . . . . . . . . . . . 22.3948 . . . . . 368 . N . 368 . HN parsed_2n5t 1
8 . . . . . . . . . . . . . . . . 10.0411 . . . . . 370 . N . 370 . HN parsed_2n5t 1
9 . . . . . . . . . . . . . . . . 2.37 . . . . . 373 . N . 373 . HN parsed_2n5t 1
10 . . . . . . . . . . . . . . . . 6.4877 . . . . . 384 . N . 384 . HN parsed_2n5t 1
11 . . . . . . . . . . . . . . . . -17.743 . . . . . 399 . N . 399 . HN parsed_2n5t 1
12 . . . . . . . . . . . . . . . . 16.2017 . . . . . 419 . N . 419 . HN parsed_2n5t 1
13 . . . . . . . . . . . . . . . . 6.3711 . . . . . 420 . N . 420 . HN parsed_2n5t 1
14 . . . . . . . . . . . . . . . . -11.889 . . . . . 422 . N . 422 . HN parsed_2n5t 1
15 . . . . . . . . . . . . . . . . 9.3354 . . . . . 423 . N . 423 . HN parsed_2n5t 1
16 . . . . . . . . . . . . . . . . 17.2357 . . . . . 425 . N . 425 . HN parsed_2n5t 1
17 . . . . . . . . . . . . . . . . 33.928 . . . . . 426 . N . 426 . HN parsed_2n5t 1
18 . . . . . . . . . . . . . . . . 27.8483 . . . . . 427 . N . 427 . HN parsed_2n5t 1
19 . . . . . . . . . . . . . . . . 18.9722 . . . . . 475 . N . 475 . HN parsed_2n5t 1
20 . . . . . . . . . . . . . . . . -24.724 . . . . . 481 . N . 481 . HN parsed_2n5t 1
21 . . . . . . . . . . . . . . . . -9.309 . . . . . 498 . N . 498 . HN parsed_2n5t 1
22 . . . . . . . . . . . . . . . . 12.9944 . . . . . 499 . N . 499 . HN parsed_2n5t 1
23 . . . . . . . . . . . . . . . . 26.5076 . . . . . 557 . N . 557 . HN parsed_2n5t 1
24 . . . . . . . . . . . . . . . . 23.0738 . . . . . 558 . N . 558 . HN parsed_2n5t 1
25 . . . . . . . . . . . . . . . . 19.2146 . . . . . 559 . N . 559 . HN parsed_2n5t 1
26 . . . . . . . . . . . . . . . . 11.7003 . . . . . 37 . N . 37 . HN parsed_2n5t 1
27 . . . . . . . . . . . . . . . . 15.819 . . . . . 40 . N . 40 . HN parsed_2n5t 1
28 . . . . . . . . . . . . . . . . 6.4451 . . . . . 41 . N . 41 . HN parsed_2n5t 1
29 . . . . . . . . . . . . . . . . 5.6543 . . . . . 45 . N . 45 . HN parsed_2n5t 1
30 . . . . . . . . . . . . . . . . 16.2547 . . . . . 46 . N . 46 . HN parsed_2n5t 1
31 . . . . . . . . . . . . . . . . 13.5598 . . . . . 47 . N . 47 . HN parsed_2n5t 1
32 . . . . . . . . . . . . . . . . -20.318 . . . . . 56 . N . 56 . HN parsed_2n5t 1
33 . . . . . . . . . . . . . . . . 22.5411 . . . . . 75 . N . 75 . HN parsed_2n5t 1
34 . . . . . . . . . . . . . . . . 6.4559 . . . . . 81 . N . 81 . HN parsed_2n5t 1
35 . . . . . . . . . . . . . . . . -35.382 . . . . . 83 . N . 83 . HN parsed_2n5t 1
36 . . . . . . . . . . . . . . . . -2.3039 . . . . . 92 . N . 92 . HN parsed_2n5t 1
37 . . . . . . . . . . . . . . . . -21.996 . . . . . 93 . N . 93 . HN parsed_2n5t 1
38 . . . . . . . . . . . . . . . . -20.061 . . . . . 94 . N . 94 . HN parsed_2n5t 1
39 . . . . . . . . . . . . . . . . 7.154 . . . . . 96 . N . 96 . HN parsed_2n5t 1
40 . . . . . . . . . . . . . . . . -24.21 . . . . . 101 . N . 101 . HN parsed_2n5t 1
41 . . . . . . . . . . . . . . . . -4.1614 . . . . . 110 . N . 110 . HN parsed_2n5t 1
42 . . . . . . . . . . . . . . . . -15.037 . . . . . 115 . N . 115 . HN parsed_2n5t 1
43 . . . . . . . . . . . . . . . . -14.06 . . . . . 116 . N . 116 . HN parsed_2n5t 1
44 . . . . . . . . . . . . . . . . 14.1045 . . . . . 117 . N . 117 . HN parsed_2n5t 1
45 . . . . . . . . . . . . . . . . 3.7908 . . . . . 118 . N . 118 . HN parsed_2n5t 1
46 . . . . . . . . . . . . . . . . -11.98 . . . . . 122 . N . 122 . HN parsed_2n5t 1
47 . . . . . . . . . . . . . . . . -17.317 . . . . . 134 . N . 134 . HN parsed_2n5t 1
48 . . . . . . . . . . . . . . . . -6.6508 . . . . . 138 . N . 138 . HN parsed_2n5t 1
49 . . . . . . . . . . . . . . . . -30.092 . . . . . 143 . N . 143 . HN parsed_2n5t 1
50 . . . . . . . . . . . . . . . . 20.523 . . . . . 4 . N . 4 . HN parsed_2n5t 1
51 . . . . . . . . . . . . . . . . 13.4246 . . . . . 5 . N . 5 . HN parsed_2n5t 1
52 . . . . . . . . . . . . . . . . 8.8066 . . . . . 8 . N . 8 . HN parsed_2n5t 1
53 . . . . . . . . . . . . . . . . -38.641 . . . . . 10 . N . 10 . HN parsed_2n5t 1
54 . . . . . . . . . . . . . . . . 8.5749 . . . . . 18 . N . 18 . HN parsed_2n5t 1
55 . . . . . . . . . . . . . . . . 27.3001 . . . . . 19 . N . 19 . HN parsed_2n5t 1
56 . . . . . . . . . . . . . . . . 23.8763 . . . . . 158 . N . 158 . HN parsed_2n5t 1
57 . . . . . . . . . . . . . . . . 19.201 . . . . . 161 . N . 161 . HN parsed_2n5t 1
58 . . . . . . . . . . . . . . . . 21.9822 . . . . . 162 . N . 162 . HN parsed_2n5t 1
59 . . . . . . . . . . . . . . . . 32.992 . . . . . 181 . N . 181 . HN parsed_2n5t 1
60 . . . . . . . . . . . . . . . . -37.377 . . . . . 206 . N . 206 . HN parsed_2n5t 1
61 . . . . . . . . . . . . . . . . 15.0423 . . . . . 207 . N . 207 . HN parsed_2n5t 1
62 . . . . . . . . . . . . . . . . 10.756 . . . . . 208 . N . 208 . HN parsed_2n5t 1
63 . . . . . . . . . . . . . . . . 18.0004 . . . . . 209 . N . 209 . HN parsed_2n5t 1
64 . . . . . . . . . . . . . . . . -2.1512 . . . . . 212 . N . 212 . HN parsed_2n5t 1
65 . . . . . . . . . . . . . . . . 7.3841 . . . . . 213 . N . 213 . HN parsed_2n5t 1
66 . . . . . . . . . . . . . . . . 24.8183 . . . . . 214 . N . 214 . HN parsed_2n5t 1
67 . . . . . . . . . . . . . . . . -17.148 . . . . . 220 . N . 220 . HN parsed_2n5t 1
68 . . . . . . . . . . . . . . . . -35.353 . . . . . 229 . N . 229 . HN parsed_2n5t 1
69 . . . . . . . . . . . . . . . . -39.124 . . . . . 230 . N . 230 . HN parsed_2n5t 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
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 386 and name N)
( resid 386 and name HN) 5.9672 2
;
71 1 76 42 parsed_2n5t 1
2
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 496 and name N)
( resid 496 and name HN) 9.4258 2
;
148 1 153 42 parsed_2n5t 1
3
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 58 and name N)
( resid 58 and name HN) -32.895 2
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 68 and name N)
( resid 68 and name HN) 5.6772 2
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 71 and name N)
( resid 71 and name HN) 16.8201 2
;
238 1 257 42 parsed_2n5t 1
4
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 100 and name N)
( resid 100 and name HN) -7.185 2
;
308 1 313 42 parsed_2n5t 1
5
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 104 and name N)
( resid 104 and name HN) -7.365 2
;
322 1 327 42 parsed_2n5t 1
6
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 113 and name N)
( resid 113 and name HN) -14.979 2
;
336 1 341 43 parsed_2n5t 1
7
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 7 and name N)
( resid 7 and name HN) 10.2604 2
;
412 1 417 41 parsed_2n5t 1
8
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 14 and name N)
( resid 14 and name HN) 14.046 2
;
433 1 438 41 parsed_2n5t 1
9
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 148 and name N)
( resid 148 and name HN) 26.4138 2
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 151 and name N)
( resid 151 and name HN) 29.1324 2
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 152 and name N)
( resid 152 and name HN) 27.0325 2
;
454 1 473 43 parsed_2n5t 1
10
;
assign ( resid 700 and name OO )
( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 210 and name N)
( resid 210 and name HN) -13.076 2
;
531 1 536 43 parsed_2n5t 1
11
;
assign ( resid 700 and name OO )
! ( resid 700 and name Z )
( resid 700 and name X )
( resid 700 and name Y )
( resid 222 and name N)
( resid 222 and name HN) -32.497 2
;
566 1 571 43 parsed_2n5t 1
stop_
save_
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