NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
561452 2m37 18948 cing 1-original 1 DYANA/DIANA distance NOE simple


# CYANA Upper Limit File for molecule named: ex19-7.upl 
# based on NOESY 100 ms in H2O/D2O (9:1) at 283 K 
# Atom names according to the convention of cyana.lib
# Upper limit distances produced by CYANA caliba
# Long-range upper limit calibrated with gernimal proton noes
# Including Stereo Specific Assignments
# Manual Input for proper geometry 
# of side-chain/backbone peptide bond
  1 GLY  N       9 ASPP CG      1.33 
  1 GLY  N       9 ASPP OD      2.26 
  1 GLY  N       9 ASPP CG      2.41 
  1 GLY  H       9 ASPP CG      2.06 
  1 GLY  CA      9 ASPP CG      2.42 
  1 GLY  H       1 GLY  CA      2.09 
  1 GLY  CA      9 ASPP OD      2.78 
  1 GLY  H       9 ASPP OD      3.17 
# END Manual Input
# Long-range NOEs
  1 GLY  H       9 ASPP HB2     2.50            #peak   169
  1 GLY  H      10 ILE  HG13    4.00            #peak   360
  1 GLY  H      10 ILE  QD1     4.50            #peak   362
  1 GLY  HA2    15 PHE  HA      3.80            #peak   453
  1 GLY  HA3    15 PHE  HA      3.00            #peak   474
  3 SER  H      14 TYR  H       2.80            #peak   186
  3 SER  HB2    16 GLU  HA      4.00            #peak   448
  4 GLN  HA     14 TYR  HB2     3.50            #peak   458
  5 GLY  H      14 TYR  HB2     3.00            #peak   159
  6 VAL  H      14 TYR  HB3     3.50            #peak   346
  7 GLU  H      14 TYR  HB3     3.50            #peak   110
  7 GLU  H      15 PHE  H       4.50            #peak   490
  8 PRO  HA     14 TYR  HA      2.80            #peak   452
  8 PRO  HA     15 PHE  H       3.50            #peak   149
  9 ASPP H      14 TYR  HA      3.20            #peak   152
# END 
  1 GLY  H       1 GLY  HA2     2.62            #peak    56
  1 GLY  H       1 GLY  HA3     3.14            #peak    57
  1 GLY  H       2 LEU  H       4.50            #peak   487
  1 GLY  HA2     1 GLY  HA3     2.40            #peak   446
  2 LEU  HA      2 LEU  HB3     2.50            #peak   480
  2 LEU  HA      2 LEU  HB2     3.00            #peak   481
  2 LEU  HA      3 SER  H       3.50            #peak   127
  3 SER  H       3 SER  HA      3.00            #peak    22
  2 LEU  H       2 LEU  HA      3.00            #peak    25
  2 LEU  H       2 LEU  HB3     4.00            #peak    26
  2 LEU  H       2 LEU  HB2     2.90            #peak    27
  2 LEU  H       3 SER  H       2.50            #peak   187
  2 LEU  HB3     2 LEU  HB2     2.40            #peak   440
  3 SER  HA      3 SER  HB3     2.50            #peak    66
  3 SER  HA      3 SER  HB2     3.00            #peak    67
  3 SER  HA      4 GLN  H       2.80            #peak   144
  3 SER  HB3     4 GLN  H       2.50            #peak   145
  3 SER  HB2     4 GLN  H       2.80            #peak   146
  3 SER  H       3 SER  HB2     3.00            #peak   273
  3 SER  HB2     3 SER  HB3     2.40            #peak   434
  4 GLN  H       4 GLN  HA      3.20            #peak    46
  4 GLN  H       4 GLN  HB2     3.70            #peak   295
  4 GLN  H       4 GLN  HB3     3.20            #peak    49
  4 GLN  HA      4 GLN  HB2     2.80            #peak    79
  4 GLN  HA      4 GLN  HB3     2.80            #peak    80
  4 GLN  HA      5 GLY  H       2.50            #peak   158
  4 GLN  HE22    4 GLN  HE21    2.46            #peak   191
  5 GLY  H       5 GLY  HA3     3.00            #peak    58
  5 GLY  H       5 GLY  HA2     2.50            #peak    59
  5 GLY  HA3     6 VAL  H       2.80            #peak   168
  5 GLY  HA2     6 VAL  H       3.20            #peak   345
  5 GLY  HA3     5 GLY  HA2     2.40            #peak   449
  6 VAL  H       6 VAL  HA      3.00            #peak   286
  6 VAL  H       6 VAL  HB      4.00            #peak    39
  6 VAL  HA      6 VAL  HB      2.50            #peak    97
  6 VAL  HA      7 GLU  H       3.80            #peak   109
  6 VAL  HB      7 GLU  H       4.00            #peak   111
  6 VAL  H       7 GLU  H       2.20            #peak   249
  7 GLU  H       7 GLU  HA      3.20            #peak     1
  7 GLU  H       7 GLU  HB2     4.00            #peak     4
  7 GLU  H       7 GLU  HB3     3.20            #peak     5
  7 GLU  HA      7 GLU  HB2     2.80            #peak    75
  7 GLU  HA      7 GLU  HB3     2.80            #peak    76
  7 GLU  H       7 GLU  HG3     3.50            #peak     2
  7 GLU  H       7 GLU  HG2     2.50            #peak     3
  7 GLU  HA      7 GLU  HG3     4.00            #peak    73
  7 GLU  HA      7 GLU  HG2     4.00            #peak    74
  7 GLU  HA      8 PRO  HD3     2.50            #peak   450
  7 GLU  HA      8 PRO  HD2     2.50            #peak   451
  8 PRO  HD2     8 PRO  HG2     2.50            #peak    99
  8 PRO  HD2     8 PRO  HG3     2.80            #peak   100
  8 PRO  HA      8 PRO  HG3     3.50            #peak   104
  8 PRO  HD3     8 PRO  HB3     3.20            #peak    81
  8 PRO  HD3     8 PRO  HG3     2.80            #peak    83
  8 PRO  HB3     8 PRO  HA      2.50            #peak   471
  8 PRO  HB2     8 PRO  HA      3.00            #peak   473
  8 PRO  HA      9 ASPP H       2.40            #peak   153
  8 PRO  HB2     9 ASPP H       3.20            #peak   154
  8 PRO  HB3     8 PRO  HB2     2.40            #peak   437
  8 PRO  HD3     8 PRO  HD2     2.40            #peak   447
  9 ASPP H       9 ASPP HA      3.00            #peak    53
  9 ASPP H       9 ASPP HB2     3.20            #peak    54
  9 ASPP H       9 ASPP HB3     3.80            #peak   302
  9 ASPP HA      9 ASPP HB2     3.00            #peak    78
  9 ASPP HA      9 ASPP HB3     2.50            #peak   459
  9 ASPP HB2     9 ASPP HB3     2.40            #peak   416
  9 ASPP HA     10 ILE  H       3.80            #peak   162
  9 ASPP HB2    10 ILE  H       3.20            #peak   163
  9 ASPP H      10 ILE  H       2.50            #peak   190
 10 ILE  H      10 ILE  HA      3.20            #peak   307
 10 ILE  H      10 ILE  HB      3.00            #peak   308
 10 ILE  H      10 ILE  HG12    3.50            #peak    62
 10 ILE  H      10 ILE  HG13    3.00            #peak   310
 10 ILE  HA     10 ILE  HB      3.00            #peak   218
 10 ILE  HA     10 ILE  HG12    3.00            #peak   217
 10 ILE  HA     10 ILE  QG2     3.00            #peak   412
 10 ILE  QG2    10 ILE  HB      2.50            #peak   424
 10 ILE  HB     10 ILE  QD1     3.20            #peak   477
 10 ILE  HG12   10 ILE  HG13    2.40            #peak   423
 10 ILE  HB     10 ILE  HG12    3.20            #peak   439
 10 ILE  HA     11 GLY  H       2.60            #peak   336
 10 ILE  HB     11 GLY  H       3.50            #peak   134
 11 GLY  H      11 GLY  HA2     2.50            #peak    33
 11 GLY  H      11 GLY  HA3     2.80            #peak    34
 11 GLY  HA3    11 GLY  HA2     2.40            #peak   479
 11 GLY  HA2    12 GLN  H       2.50            #peak   121
 11 GLY  HA3    12 GLN  H       2.80            #peak   327
 11 GLY  HA2    13 THR  H       3.50            #peak   138
 12 GLN  HA     13 THR  H       3.20            #peak   137
 12 GLN  H      12 GLN  HG3     4.50            #peak    17
 12 GLN  HA     12 GLN  HG3     2.50            #peak    87
 12 GLN  HA     12 GLN  HG2     3.20            #peak    88
 12 GLN  HA     12 GLN  QB      3.50            #peak    95
 12 GLN  H      12 GLN  HA      3.00            #peak    18
 12 GLN  HE22   12 GLN  HE21    2.55            #peak   403
 12 GLN  H      13 THR  QG2     4.50            #peak   328
 12 GLN  H      13 THR  H       2.80            #peak   247
 13 THR  H      13 THR  HB      3.50            #peak    36
 13 THR  H      13 THR  QG2     3.50            #peak   344
 13 THR  H      13 THR  HA      3.00            #peak    35
 13 THR  HA     14 TYR  H       2.50            #peak   124
 14 TYR  H      14 TYR  HA      3.00            #peak    19
 14 TYR  H      14 TYR  HB3     3.80            #peak    20
 14 TYR  H      14 TYR  HB2     3.00            #peak    21
 14 TYR  HB3    14 TYR  HB2     2.40            #peak   443
 14 TYR  HA     14 TYR  HB3     2.50            #peak    68
 14 TYR  HA     14 TYR  HB2     3.00            #peak    69
 14 TYR  HA     15 PHE  H       2.50            #peak   147
 14 TYR  HB3    15 PHE  H       3.00            #peak   148
 14 TYR  HB2    15 PHE  H       3.50            #peak   150
 15 PHE  H      15 PHE  HA      3.20            #peak    50
 15 PHE  H      15 PHE  HB2     2.50            #peak    52
 15 PHE  H      15 PHE  HB3     3.50            #peak   298
 15 PHE  HA     15 PHE  HB3     2.90            #peak    70
 15 PHE  HA     15 PHE  HB2     3.20            #peak    71
 15 PHE  HA     16 GLU  H       2.50            #peak   113
 15 PHE  HB3    15 PHE  HB2     2.40            #peak   445
 15 PHE  HB3    16 GLU  H       3.00            #peak   115
 15 PHE  HB2    16 GLU  H       4.20            #peak   117
 16 GLU  H      16 GLU  HA      2.90            #peak     9
 16 GLU  HA     16 GLU  HB2     3.00            #peak   221
 16 GLU  HA     16 GLU  HB3     3.00            #peak   226
 16 GLU  H      16 GLU  HB2     2.50            #peak     6
 16 GLU  H      16 GLU  HB3     3.00            #peak   256
 16 GLU  HA     16 GLU  QG      3.50            #peak   230
 16 GLU  HA     17 GLU  H       2.60            #peak   323
 17 GLU  H      17 GLU  HA      3.00            #peak    10
 17 GLU  H      17 GLU  HB2     3.80            #peak    13
 17 GLU  H      17 GLU  HB3     3.00            #peak    14
 17 GLU  HA     17 GLU  HB2     2.80            #peak   468
 17 GLU  HA     17 GLU  HB3     2.80            #peak    90
 17 GLU  H      17 GLU  HG2     2.50            #peak   260
 17 GLU  H      17 GLU  HG3     3.00            #peak   261
 17 GLU  HA     17 GLU  HG3     4.00            #peak   466
 17 GLU  HB3    17 GLU  HG2     2.50            #peak   484
 17 GLU  HA     18 SER  H       2.80            #peak   167
 17 GLU  H      18 SER  H       3.00            #peak   248
 17 GLU  HB2    18 SER  H       4.50            #peak   132
 17 GLU  HB3    18 SER  H       4.80            #peak   133
 18 SER  H      18 SER  HA      2.80            #peak    31
 18 SER  H      18 SER  QB      3.50            #peak    32
 18 SER  HA     19 ARG  H       2.50            #peak   142
 18 SER  QB     19 ARG  H       3.50            #peak   348
 19 ARG  H      19 ARG  HA      3.00            #peak    42
 19 ARG  H      19 ARG  QB      3.50            #peak    44
 19 ARG  HA     19 ARG  HG3     3.00            #peak   219
 19 ARG  HA     19 ARG  HG2     3.00            #peak   489



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