NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
533818 |
2kyg   |
16954 | cing | 2-parsed | STAR | dipolar coupling | 57 |
data_2kyg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kyg
_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_2kyg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kyg
_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 2kyg "Master copy" parsed_2kyg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kyg
_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 2kyg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kyg 1
1 2kyg.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 166 parsed_2kyg 1
1 2kyg.mr . . XPLOR/CNS 3 distance NOE ambi 4633 parsed_2kyg 1
1 2kyg.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 229 parsed_2kyg 1
1 2kyg.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 57 parsed_2kyg 1
1 2kyg.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kyg 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_5
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kyg
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . -0.6700 . . . . . 211 . N . 211 . HN parsed_2kyg 1
2 . . . . . . . . . . . . . . . . 4.8600 . . . . . 212 . N . 212 . HN parsed_2kyg 1
3 . . . . . . . . . . . . . . . . -7.9100 . . . . . 215 . N . 215 . HN parsed_2kyg 1
4 . . . . . . . . . . . . . . . . -17.0700 . . . . . 216 . N . 216 . HN parsed_2kyg 1
5 . . . . . . . . . . . . . . . . -9.4200 . . . . . 218 . N . 218 . HN parsed_2kyg 1
6 . . . . . . . . . . . . . . . . -8.2600 . . . . . 219 . N . 219 . HN parsed_2kyg 1
7 . . . . . . . . . . . . . . . . -10.9400 . . . . . 220 . N . 220 . HN parsed_2kyg 1
8 . . . . . . . . . . . . . . . . -11.2400 . . . . . 221 . N . 221 . HN parsed_2kyg 1
9 . . . . . . . . . . . . . . . . -7.9500 . . . . . 222 . N . 222 . HN parsed_2kyg 1
10 . . . . . . . . . . . . . . . . -12.8800 . . . . . 223 . N . 223 . HN parsed_2kyg 1
11 . . . . . . . . . . . . . . . . -7.6000 . . . . . 225 . N . 225 . HN parsed_2kyg 1
12 . . . . . . . . . . . . . . . . -13.6700 . . . . . 227 . N . 227 . HN parsed_2kyg 1
13 . . . . . . . . . . . . . . . . -11.8500 . . . . . 228 . N . 228 . HN parsed_2kyg 1
14 . . . . . . . . . . . . . . . . -6.6200 . . . . . 229 . N . 229 . HN parsed_2kyg 1
15 . . . . . . . . . . . . . . . . -15.2500 . . . . . 231 . N . 231 . HN parsed_2kyg 1
16 . . . . . . . . . . . . . . . . -8.5600 . . . . . 232 . N . 232 . HN parsed_2kyg 1
17 . . . . . . . . . . . . . . . . -7.4700 . . . . . 233 . N . 233 . HN parsed_2kyg 1
18 . . . . . . . . . . . . . . . . -11.3000 . . . . . 235 . N . 235 . HN parsed_2kyg 1
19 . . . . . . . . . . . . . . . . 0.6391 . . . . . 211 . N . 210 . C parsed_2kyg 1
20 . . . . . . . . . . . . . . . . 0.7636 . . . . . 212 . N . 211 . C parsed_2kyg 1
21 . . . . . . . . . . . . . . . . -3.6520 . . . . . 215 . N . 214 . C parsed_2kyg 1
22 . . . . . . . . . . . . . . . . 1.2616 . . . . . 216 . N . 215 . C parsed_2kyg 1
23 . . . . . . . . . . . . . . . . -5.5610 . . . . . 217 . N . 216 . C parsed_2kyg 1
24 . . . . . . . . . . . . . . . . 6.0590 . . . . . 218 . N . 217 . C parsed_2kyg 1
25 . . . . . . . . . . . . . . . . 6.4076 . . . . . 219 . N . 218 . C parsed_2kyg 1
26 . . . . . . . . . . . . . . . . -2.9050 . . . . . 220 . N . 219 . C parsed_2kyg 1
27 . . . . . . . . . . . . . . . . 6.1835 . . . . . 221 . N . 220 . C parsed_2kyg 1
28 . . . . . . . . . . . . . . . . 1.1454 . . . . . 222 . N . 221 . C parsed_2kyg 1
29 . . . . . . . . . . . . . . . . 15.1309 . . . . . 223 . N . 222 . C parsed_2kyg 1
30 . . . . . . . . . . . . . . . . 14.3756 . . . . . 225 . N . 224 . C parsed_2kyg 1
31 . . . . . . . . . . . . . . . . 0.6391 . . . . . 226 . N . 225 . C parsed_2kyg 1
32 . . . . . . . . . . . . . . . . 11.9686 . . . . . 227 . N . 226 . C parsed_2kyg 1
33 . . . . . . . . . . . . . . . . -4.1500 . . . . . 228 . N . 227 . C parsed_2kyg 1
34 . . . . . . . . . . . . . . . . 7.6941 . . . . . 229 . N . 228 . C parsed_2kyg 1
35 . . . . . . . . . . . . . . . . -6.1835 . . . . . 231 . N . 230 . C parsed_2kyg 1
36 . . . . . . . . . . . . . . . . 8.6984 . . . . . 232 . N . 231 . C parsed_2kyg 1
37 . . . . . . . . . . . . . . . . -0.2739 . . . . . 233 . N . 232 . C parsed_2kyg 1
38 . . . . . . . . . . . . . . . . 11.3461 . . . . . 234 . N . 233 . C parsed_2kyg 1
39 . . . . . . . . . . . . . . . . -8.2004 . . . . . 235 . N . 234 . C parsed_2kyg 1
40 . . . . . . . . . . . . . . . . 9.0000 . . . . . 211 . C . 211 . CA parsed_2kyg 1
41 . . . . . . . . . . . . . . . . 3.7000 . . . . . 215 . C . 215 . CA parsed_2kyg 1
42 . . . . . . . . . . . . . . . . -9.1000 . . . . . 216 . C . 216 . CA parsed_2kyg 1
43 . . . . . . . . . . . . . . . . 0.7500 . . . . . 217 . C . 217 . CA parsed_2kyg 1
44 . . . . . . . . . . . . . . . . 12.0500 . . . . . 218 . C . 218 . CA parsed_2kyg 1
45 . . . . . . . . . . . . . . . . -5.3000 . . . . . 219 . C . 219 . CA parsed_2kyg 1
46 . . . . . . . . . . . . . . . . -4.5500 . . . . . 220 . C . 220 . CA parsed_2kyg 1
47 . . . . . . . . . . . . . . . . 11.3000 . . . . . 221 . C . 221 . CA parsed_2kyg 1
48 . . . . . . . . . . . . . . . . 0.7500 . . . . . 222 . C . 222 . CA parsed_2kyg 1
49 . . . . . . . . . . . . . . . . 14.3000 . . . . . 225 . C . 225 . CA parsed_2kyg 1
50 . . . . . . . . . . . . . . . . -4.5000 . . . . . 226 . C . 226 . CA parsed_2kyg 1
51 . . . . . . . . . . . . . . . . -3.7500 . . . . . 227 . C . 227 . CA parsed_2kyg 1
52 . . . . . . . . . . . . . . . . -0.8000 . . . . . 228 . C . 228 . CA parsed_2kyg 1
53 . . . . . . . . . . . . . . . . -6.8000 . . . . . 231 . C . 231 . CA parsed_2kyg 1
54 . . . . . . . . . . . . . . . . 12.0500 . . . . . 232 . C . 232 . CA parsed_2kyg 1
55 . . . . . . . . . . . . . . . . -1.5000 . . . . . 233 . C . 233 . CA parsed_2kyg 1
56 . . . . . . . . . . . . . . . . -4.5000 . . . . . 234 . C . 234 . CA parsed_2kyg 1
57 . . . . . . . . . . . . . . . . -2.9500 . . . . . 235 . C . 235 . CA parsed_2kyg 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 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 203 and name N )
( resid 203 and name HN ) -0.2400 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 204 and name N )
( resid 204 and name HN ) -0.5500 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 205 and name N )
( resid 205 and name HN ) 0.9100 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 206 and name N )
( resid 206 and name HN ) 0.9700 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 207 and name N )
( resid 207 and name HN ) 0.6100 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 208 and name N )
( resid 208 and name HN ) 0.7200 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 209 and name N )
( resid 209 and name HN ) -0.3000 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 210 and name N )
( resid 210 and name HN ) -1.5200 1.0000
;
1 1 1 1 parsed_2kyg 1
2
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 214 and name N )
( resid 214 and name HN ) -11.4900 1.0000
;
63 1 63 1 parsed_2kyg 1
3
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 217 and name N )
( resid 217 and name HN ) -7.2200 1.0000
;
83 1 83 1 parsed_2kyg 1
4
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 236 and name N )
( resid 236 and name HN ) -0.7700 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 237 and name N )
( resid 237 and name HN ) -1.0300 1.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 238 and name N )
( resid 238 and name HN ) -0.7900 1.0000
;
175 1 175 1 parsed_2kyg 1
5
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 214 and name N )
( resid 213 and name C ) -38.4539 2.0750
;
208 1 208 1 parsed_2kyg 1
6
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 236 and name N )
( resid 235 and name C ) 9.8355 2.0750
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 237 and name N )
( resid 236 and name C ) 4.4405 2.0750
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 238 and name N )
( resid 237 and name C ) -3.4196 2.0750
;
330 1 330 1 parsed_2kyg 1
7
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 210 and name C )
( resid 210 and name CA ) -6.0500 3.0000
;
350 1 350 1 parsed_2kyg 1
8
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 213 and name C )
( resid 213 and name CA ) -0.8000 3.0000
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 214 and name C )
( resid 214 and name CA ) -18.8000 3.0000
;
364 1 364 1 parsed_2kyg 1
9
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 224 and name C )
( resid 224 and name CA ) -5.3000 3.0000
;
426 1 426 1 parsed_2kyg 1
10
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 230 and name C )
( resid 230 and name CA ) -5.2500 3.0000
;
458 1 458 1 parsed_2kyg 1
11
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 236 and name C )
( resid 236 and name CA ) 11.3500 3.0000
;
496 1 496 1 parsed_2kyg 1
stop_
save_
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