NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
655335 |
6m78   |
cing | 2-parsed | STAR | dipolar coupling | 120 |
data_6m78_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6m78
_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_6m78 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6m78
_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 6m78 "Master copy" parsed_6m78
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6m78
_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 6m78.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6m78 1
1 6m78.mr . . HADDOCK 2 distance NOE ambi 0 parsed_6m78 1
1 6m78.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 112 parsed_6m78 1
1 6m78.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 24 parsed_6m78 1
1 6m78.mr . . XPLOR/CNS 5 distance NOE simple 73 parsed_6m78 1
1 6m78.mr . . XPLOR/CNS 6 "dipolar coupling" "Not applicable" "Not applicable" 120 parsed_6m78 1
1 6m78.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6m78 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_6
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6m78
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . 20.787 . . . . A 140 . N A 140 . HN parsed_6m78 1
2 . . . . . . . . . . . . . . . . 16.956 . . . . A 141 . N A 141 . HN parsed_6m78 1
3 . . . . . . . . . . . . . . . . 2.348 . . . . A 143 . N A 143 . HN parsed_6m78 1
4 . . . . . . . . . . . . . . . . 19.084 . . . . A 144 . N A 144 . HN parsed_6m78 1
5 . . . . . . . . . . . . . . . . 25.256 . . . . A 145 . N A 145 . HN parsed_6m78 1
6 . . . . . . . . . . . . . . . . -31.570 . . . . A 146 . N A 146 . HN parsed_6m78 1
7 . . . . . . . . . . . . . . . . 9.081 . . . . A 148 . N A 148 . HN parsed_6m78 1
8 . . . . . . . . . . . . . . . . 29.938 . . . . A 151 . N A 151 . HN parsed_6m78 1
9 . . . . . . . . . . . . . . . . 28.293 . . . . A 157 . N A 157 . HN parsed_6m78 1
10 . . . . . . . . . . . . . . . . 20.290 . . . . A 158 . N A 158 . HN parsed_6m78 1
11 . . . . . . . . . . . . . . . . 17.665 . . . . A 160 . N A 160 . HN parsed_6m78 1
12 . . . . . . . . . . . . . . . . 29.229 . . . . A 161 . N A 161 . HN parsed_6m78 1
13 . . . . . . . . . . . . . . . . -8.939 . . . . A 162 . N A 162 . HN parsed_6m78 1
14 . . . . . . . . . . . . . . . . -40.207 . . . . A 163 . N A 163 . HN parsed_6m78 1
15 . . . . . . . . . . . . . . . . -32.617 . . . . A 164 . N A 164 . HN parsed_6m78 1
16 . . . . . . . . . . . . . . . . -37.553 . . . . A 165 . N A 165 . HN parsed_6m78 1
17 . . . . . . . . . . . . . . . . -21.850 . . . . A 166 . N A 166 . HN parsed_6m78 1
18 . . . . . . . . . . . . . . . . -9.577 . . . . A 167 . N A 167 . HN parsed_6m78 1
19 . . . . . . . . . . . . . . . . 13.692 . . . . A 168 . N A 168 . HN parsed_6m78 1
20 . . . . . . . . . . . . . . . . 10.287 . . . . A 170 . N A 170 . HN parsed_6m78 1
21 . . . . . . . . . . . . . . . . 17.736 . . . . A 175 . N A 175 . HN parsed_6m78 1
22 . . . . . . . . . . . . . . . . -24.050 . . . . A 177 . N A 177 . HN parsed_6m78 1
23 . . . . . . . . . . . . . . . . 16.885 . . . . A 181 . N A 181 . HN parsed_6m78 1
24 . . . . . . . . . . . . . . . . 25.895 . . . . A 182 . N A 182 . HN parsed_6m78 1
25 . . . . . . . . . . . . . . . . 24.681 . . . . A 184 . N A 184 . HN parsed_6m78 1
26 . . . . . . . . . . . . . . . . 11.990 . . . . A 188 . N A 188 . HN parsed_6m78 1
27 . . . . . . . . . . . . . . . . -25.610 . . . . A 193 . N A 193 . HN parsed_6m78 1
28 . . . . . . . . . . . . . . . . 1.348 . . . . A 194 . N A 194 . HN parsed_6m78 1
29 . . . . . . . . . . . . . . . . -39.658 . . . . A 196 . N A 196 . HN parsed_6m78 1
30 . . . . . . . . . . . . . . . . -20.148 . . . . A 200 . N A 200 . HN parsed_6m78 1
31 . . . . . . . . . . . . . . . . 14.948 . . . . A 201 . N A 201 . HN parsed_6m78 1
32 . . . . . . . . . . . . . . . . -7.875 . . . . A 208 . N A 208 . HN parsed_6m78 1
33 . . . . . . . . . . . . . . . . -10.004 . . . . A 209 . N A 209 . HN parsed_6m78 1
34 . . . . . . . . . . . . . . . . -4.340 . . . . A 210 . N A 210 . HN parsed_6m78 1
35 . . . . . . . . . . . . . . . . 1.774 . . . . A 212 . N A 212 . HN parsed_6m78 1
36 . . . . . . . . . . . . . . . . -50.512 . . . . A 213 . N A 213 . HN parsed_6m78 1
37 . . . . . . . . . . . . . . . . -8.385 . . . . A 214 . N A 214 . HN parsed_6m78 1
38 . . . . . . . . . . . . . . . . -14.543 . . . . A 215 . N A 215 . HN parsed_6m78 1
39 . . . . . . . . . . . . . . . . -13.551 . . . . A 217 . N A 217 . HN parsed_6m78 1
40 . . . . . . . . . . . . . . . . 32.847 . . . . A 224 . N A 224 . HN parsed_6m78 1
41 . . . . . . . . . . . . . . . . -3.724 . . . . A 226 . N A 226 . HN parsed_6m78 1
42 . . . . . . . . . . . . . . . . 17.807 . . . . A 227 . N A 227 . HN parsed_6m78 1
43 . . . . . . . . . . . . . . . . 23.131 . . . . A 228 . N A 228 . HN parsed_6m78 1
44 . . . . . . . . . . . . . . . . -10.429 . . . . A 229 . N A 229 . HN parsed_6m78 1
45 . . . . . . . . . . . . . . . . 8.159 . . . . A 230 . N A 230 . HN parsed_6m78 1
46 . . . . . . . . . . . . . . . . 27.668 . . . . A 231 . N A 231 . HN parsed_6m78 1
47 . . . . . . . . . . . . . . . . 24.050 . . . . A 233 . N A 233 . HN parsed_6m78 1
48 . . . . . . . . . . . . . . . . 28.520 . . . . A 238 . N A 238 . HN parsed_6m78 1
49 . . . . . . . . . . . . . . . . -7.449 . . . . A 239 . N A 239 . HN parsed_6m78 1
50 . . . . . . . . . . . . . . . . 14.756 . . . . A 241 . N A 241 . HN parsed_6m78 1
51 . . . . . . . . . . . . . . . . 25.114 . . . . A 247 . N A 247 . HN parsed_6m78 1
52 . . . . . . . . . . . . . . . . -9.961 . . . . A 256 . N A 256 . HN parsed_6m78 1
53 . . . . . . . . . . . . . . . . -48.667 . . . . A 257 . N A 257 . HN parsed_6m78 1
54 . . . . . . . . . . . . . . . . -10.996 . . . . A 258 . N A 258 . HN parsed_6m78 1
55 . . . . . . . . . . . . . . . . 14.827 . . . . A 259 . N A 259 . HN parsed_6m78 1
56 . . . . . . . . . . . . . . . . 23.908 . . . . A 260 . N A 260 . HN parsed_6m78 1
57 . . . . . . . . . . . . . . . . 2.057 . . . . A 261 . N A 261 . HN parsed_6m78 1
58 . . . . . . . . . . . . . . . . 5.959 . . . . A 262 . N A 262 . HN parsed_6m78 1
59 . . . . . . . . . . . . . . . . -14.402 . . . . A 264 . N A 264 . HN parsed_6m78 1
60 . . . . . . . . . . . . . . . . 11.989 . . . . A 265 . N A 265 . HN parsed_6m78 1
61 . . . . . . . . . . . . . . . . -39.374 . . . . A 271 . N A 271 . HN parsed_6m78 1
62 . . . . . . . . . . . . . . . . 16.033 . . . . A 274 . N A 274 . HN parsed_6m78 1
63 . . . . . . . . . . . . . . . . -2.767 . . . . A 275 . N A 275 . HN parsed_6m78 1
64 . . . . . . . . . . . . . . . . 18.977 . . . . A 277 . N A 277 . HN parsed_6m78 1
65 . . . . . . . . . . . . . . . . -35.117 . . . . A 279 . N A 279 . HN parsed_6m78 1
66 . . . . . . . . . . . . . . . . -15.111 . . . . A 283 . N A 283 . HN parsed_6m78 1
67 . . . . . . . . . . . . . . . . 9.153 . . . . A 284 . N A 284 . HN parsed_6m78 1
68 . . . . . . . . . . . . . . . . -1.490 . . . . A 286 . N A 286 . HN parsed_6m78 1
69 . . . . . . . . . . . . . . . . 25.185 . . . . A 293 . N A 293 . HN parsed_6m78 1
70 . . . . . . . . . . . . . . . . -30.790 . . . . A 296 . N A 296 . HN parsed_6m78 1
71 . . . . . . . . . . . . . . . . -45.829 . . . . A 298 . N A 298 . HN parsed_6m78 1
72 . . . . . . . . . . . . . . . . 15.182 . . . . A 299 . N A 299 . HN parsed_6m78 1
73 . . . . . . . . . . . . . . . . 6.527 . . . . A 300 . N A 300 . HN parsed_6m78 1
74 . . . . . . . . . . . . . . . . 6.669 . . . . A 305 . N A 305 . HN parsed_6m78 1
75 . . . . . . . . . . . . . . . . 5.676 . . . . A 306 . N A 306 . HN parsed_6m78 1
76 . . . . . . . . . . . . . . . . -26.036 . . . . A 307 . N A 307 . HN parsed_6m78 1
77 . . . . . . . . . . . . . . . . 6.456 . . . . A 310 . N A 310 . HN parsed_6m78 1
78 . . . . . . . . . . . . . . . . -54.556 . . . . A 312 . N A 312 . HN parsed_6m78 1
79 . . . . . . . . . . . . . . . . 25.327 . . . . A 314 . N A 314 . HN parsed_6m78 1
80 . . . . . . . . . . . . . . . . 23.270 . . . . A 317 . N A 317 . HN parsed_6m78 1
81 . . . . . . . . . . . . . . . . 34.135 . . . . A 318 . N A 318 . HN parsed_6m78 1
82 . . . . . . . . . . . . . . . . 5.463 . . . . A 322 . N A 322 . HN parsed_6m78 1
83 . . . . . . . . . . . . . . . . 9.932 . . . . B 336 . N B 336 . HN parsed_6m78 1
84 . . . . . . . . . . . . . . . . -0.213 . . . . B 338 . N B 338 . HN parsed_6m78 1
85 . . . . . . . . . . . . . . . . 1.206 . . . . B 339 . N B 339 . HN parsed_6m78 1
86 . . . . . . . . . . . . . . . . -43.701 . . . . B 340 . N B 349 . HN parsed_6m78 1
87 . . . . . . . . . . . . . . . . 19.722 . . . . B 341 . N B 341 . HN parsed_6m78 1
88 . . . . . . . . . . . . . . . . 30.034 . . . . B 342 . N B 342 . HN parsed_6m78 1
89 . . . . . . . . . . . . . . . . -33.165 . . . . B 343 . N B 343 . HN parsed_6m78 1
90 . . . . . . . . . . . . . . . . 18.800 . . . . B 344 . N B 344 . HN parsed_6m78 1
91 . . . . . . . . . . . . . . . . 7.946 . . . . B 345 . N B 346 . HN parsed_6m78 1
92 . . . . . . . . . . . . . . . . 15.537 . . . . B 347 . N B 347 . HN parsed_6m78 1
93 . . . . . . . . . . . . . . . . -3.405 . . . . B 348 . N B 348 . HN parsed_6m78 1
94 . . . . . . . . . . . . . . . . -24.617 . . . . B 349 . N B 349 . HN parsed_6m78 1
95 . . . . . . . . . . . . . . . . -21.566 . . . . B 350 . N B 350 . HN parsed_6m78 1
96 . . . . . . . . . . . . . . . . 31.641 . . . . B 351 . N B 351 . HN parsed_6m78 1
97 . . . . . . . . . . . . . . . . 29.371 . . . . B 352 . N B 352 . HN parsed_6m78 1
98 . . . . . . . . . . . . . . . . 20.503 . . . . B 353 . N B 353 . HN parsed_6m78 1
99 . . . . . . . . . . . . . . . . 26.356 . . . . B 354 . N B 354 . HN parsed_6m78 1
100 . . . . . . . . . . . . . . . . -28.236 . . . . B 355 . N B 355 . HN parsed_6m78 1
101 . . . . . . . . . . . . . . . . 0.851 . . . . B 356 . N B 356 . HN parsed_6m78 1
102 . . . . . . . . . . . . . . . . 25.185 . . . . B 358 . N B 358 . HN parsed_6m78 1
103 . . . . . . . . . . . . . . . . 32.634 . . . . B 359 . N B 359 . HN parsed_6m78 1
104 . . . . . . . . . . . . . . . . 16.175 . . . . B 360 . N B 360 . HN parsed_6m78 1
105 . . . . . . . . . . . . . . . . 11.280 . . . . B 361 . N B 361 . HN parsed_6m78 1
106 . . . . . . . . . . . . . . . . -17.736 . . . . B 362 . N B 362 . HN parsed_6m78 1
107 . . . . . . . . . . . . . . . . 1.135 . . . . B 363 . N B 363 . HN parsed_6m78 1
108 . . . . . . . . . . . . . . . . -13.479 . . . . B 364 . N B 364 . HN parsed_6m78 1
109 . . . . . . . . . . . . . . . . 10.358 . . . . B 365 . N B 365 . HN parsed_6m78 1
110 . . . . . . . . . . . . . . . . 4.773 . . . . B 366 . N B 366 . HN parsed_6m78 1
111 . . . . . . . . . . . . . . . . 19.506 . . . . B 367 . N B 367 . HN parsed_6m78 1
112 . . . . . . . . . . . . . . . . 23.837 . . . . B 368 . N B 368 . HN parsed_6m78 1
113 . . . . . . . . . . . . . . . . -26.746 . . . . B 368 . NE1 B 368 . 1HE parsed_6m78 1
114 . . . . . . . . . . . . . . . . -3.618 . . . . B 369 . N B 369 . HN parsed_6m78 1
115 . . . . . . . . . . . . . . . . 7.946 . . . . B 372 . N B 372 . HN parsed_6m78 1
116 . . . . . . . . . . . . . . . . -3.476 . . . . B 373 . N B 373 . HN parsed_6m78 1
117 . . . . . . . . . . . . . . . . -2.057 . . . . B 375 . N B 375 . HN parsed_6m78 1
118 . . . . . . . . . . . . . . . . -3.051 . . . . B 376 . N B 376 . HN parsed_6m78 1
119 . . . . . . . . . . . . . . . . 3.618 . . . . B 376 . NE1 B 376 . 1HE parsed_6m78 1
120 . . . . . . . . . . . . . . . . -4.895 . . . . B 378 . N B 378 . HN parsed_6m78 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
;
assi ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 227 and name NE1 and segid A )
( resid 227 and name 1HE and segid A ) 6.882 0.200
;
298 1 305 2 parsed_6m78 1
2
;
assi ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 271 and name NE1 and segid A )
( resid 271 and name 1HE and segid A ) -20.715 0.200
;
438 1 445 2 parsed_6m78 1
3
;
assi ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 283 and name NE1 and segid A )
( resid 283 and name 1HE and segid A ) 23.340 0.200
;
480 1 487 2 parsed_6m78 1
4
;
assi ( resid 999 and name OO )
( resid 999 and name Z )
( resid 999 and name X )
( resid 999 and name Y )
( resid 357 and name N and segid B )
( resid 357 and name HN and segid B ) 38.593 0.200
;
732 1 739 2 parsed_6m78 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 5: D_1300015809_mr_P1.cns.V6" 1 1 1 46 parsed_6m78 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 3, 2024 10:47:30 AM GMT (wattos1)