NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
651228 6kra cing 1-original 1 DYANA/DIANA distance NOE simple


# Restraints file 1: R4-4.upl
 #6 CYSS  H      29 SER  H       4.50            #peak 639
  2 ARG  HA      3 THR  H       3.56            #peak 116
  2 ARG  HG2     3 THR  H       4.47            #peak 213
  2 ARG  HG2     3 THR  HB      5.24            #peak 419
  2 ARG  HG3     3 THR  H       4.47            #peak 214
  2 ARG  HG3     3 THR  HB      4.64            #peak 421
  2 ARG  QB      2 ARG  HE      4.56            #peak 118
  2 ARG  QB     32 CYSS  QB      5.52            #peak 569
  2 ARG  QB      3 THR  H       3.77            #peak 105
  2 ARG  QB      3 THR  HB      4.90            #peak 567
  2 ARG  QG      3 THR  HB      4.55            #peak 419
# 3 THR  H      30 LEU  HG      4.36            #peak 622
  3 THR  H      32 CYSS  H       6.97            #peak 227
  3 THR  H      32 CYSS  QB      4.92            #peak 271
  3 THR  H      33 ARG  H       4.56            #peak 226
  3 THR  H       3 THR  HB      3.83            #peak 250
  3 THR  H       3 THR  QG2     4.53            #peak 75
  3 THR  HA      4 CYSS  H       2.71            #peak 177
  3 THR  HB     33 ARG  H       5.84            #peak 270
  3 THR  HB      5 ARG  H       5.89            #peak 269
  3 THR  QG2    33 ARG  H       5.78            #peak 277
  3 THR  QG2     5 ARG  H       4.66            #peak 314
# 4 CYSS H      32 CYSS QB      3.52            #peak 667 
  4 CYSS  H      32 CYSS  HA      4.68            #peak 28
  4 CYSS  H      33 ARG  QD      5.12            #peak 208
  4 CYSS  H      33 ARG  QD      5.37            #peak 416
  4 CYSS  H       4 CYSS  HB2     4.04            #peak 175
  4 CYSS  H       4 CYSS  HB3     3.80            #peak 95
  4 CYSS  H       4 CYSS  QB      3.40            #peak 95
  4 CYSS  HA     32 CYSS  HA      3.38            #peak 173
  4 CYSS  HA     32 CYSS  HB2     5.10            #peak 200
  4 CYSS  HA     32 CYSS  HB3     5.43            #peak 201
  4 CYSS  HA     32 CYSS  QB      4.45            #peak 200
  4 CYSS  HA     33 ARG  H       4.65            #peak 171
  4 CYSS  HB2    30 LEU  HG      4.29            #peak 618
  4 CYSS  HB2    32 CYSS  HA      4.79            #peak 197
  4 CYSS  HB3    30 LEU  HG      5.33            #peak 616
  4 CYSS  HB3    32 CYSS  HA      4.79            #peak 198
  4 CYSS  QB     30 LEU  QQD     3.27            #peak 614
  4 CYSS  QB     32 CYSS  HA      4.21            #peak 198
  5 ARG  H      30 LEU  HG      4.77            #peak 315
  5 ARG  H       5 ARG  HG2     3.75            #peak 246
  5 ARG  H       5 ARG  HG3     3.75            #peak 245
  5 ARG  H       5 ARG  QB      3.58            #peak 104
  5 ARG  H       5 ARG  QG      4.85            #peak 246
  5 ARG  HA      5 ARG  QD      4.70            #peak 579
  5 ARG  HB2     5 ARG  HE      5.10            #peak 120
  5 ARG  HB3     5 ARG  HE      5.10            #peak 121
  5 ARG  HE      6 CYSS  H       4.58            #peak 598
  5 ARG  HE      6 CYSS  HB2     4.30            #peak 238
  5 ARG  HE      6 CYSS  HB3     4.87            #peak 239
  5 ARG  QB      5 ARG  HE      4.48            #peak 120
  5 ARG  QB      5 ARG  QG      2.35            #peak 443
# 5 ARG  QG      7 ARG  HE      5.53            #peak 612
  6 CYSS  H     21 CYSS  HA      7.15            #peak 156
  6 CYSS  H      6 CYSS  QB      3.57            #peak 13
  6 CYSS  HA     28 PHE  HA      5.84            #peak 538
  6 CYSS  HA     29 SER  H       4.02            #peak 30
  6 CYSS  HA      5 ARG  HE      4.96            #peak 482
# 6 CYSS  HA      9 GLY  H       7.27            #peak 237
  6 CYSS  HB2    21 CYSS HB3     4.50            #peak 643
  6 CYSS  HB2    22 ASN  H       5.48            #peak 282
  6 CYSS  HB2    29 SER  H       4.92            #peak 17
  6 CYSS  HB3    22 ASN  H       5.45            #peak 281
  6 CYSS  HB3    29 SER  H       5.17            #peak 16
  6 CYSS  QB     22 ASN  H       4.83            #peak 281
  6 CYSS  QB     29 SER  H       5.27            #peak 17
# 6 CYSS  QB     7 ARG  HE       4.19            #peak 7
  7 ARG  HE     11 CYSS  HA      7.11            #peak 33
# 7 ARG  HE     28 PHE  H       6.90            #peak 258
  7 ARG  HE     29 SER  H       4.22            #peak 220
  7 ARG  HE     29 SER  QB      4.81            #peak 6
  7 ARG  HE     30 LEU  HA      4.99            #peak 5
  7 ARG  HE     31 CYSS  H      4.61            #peak 219
  7 ARG  HE      7 ARG  HB2     4.48            #peak 242
  7 ARG  HE      7 ARG  HB3     3.99            #peak 243
  7 ARG  HE      7 ARG  QG      4.34            #peak 10
  7 ARG  HA     28 PHE  H       6.50            #peak 257
  7 ARG  HA     28 PHE  QE      5.48            #peak 354
# 7 ARG  HE     17 TYR  H       7.80            #peak 596
  7 ARG  QD     31 CYSS QB      3.76            #peak 532
  7 ARG  QG     31 CYSS QB      4.78            #peak 619
# 9 GLY  H      28 PHE  QD      5.00            #peak 677
  9 GLY  H      10 ARG  H       4.72            #peak 230
  9 GLY  H      28 PHE  HA      5.68            #peak 632
# 9 GLY  H      29 SER  H       6.69            #peak 229
  9 GLY  HA2    10 ARG  H       3.54            #peak 150
  9 GLY  HA3    10 ARG  H       3.54            #peak 149
  9 GLY  QA     10 ARG  H       2.98            #peak 149
 #9 GLY  QA     28 PHE  QD      4.79            #peak 676
 10 ARG  H      10 ARG  HG2     3.63            #peak 57
 10 ARG  H      10 ARG  HG3     3.63            #peak 56
 10 ARG  H      10 ARG  QB      3.55            #peak 58
 10 ARG  H      10 ARG  QD      4.91            #peak 109
 10 ARG  HA     10 ARG  QD      4.90            #peak 291
 10 ARG  QB     10 ARG  QD      3.31            #peak 381
 10 ARG  QD     11 CYSS  QB      5.19            #peak 531
 11 CYSS H      11 CYSS  QB      3.32            #peak 94
 11 CYSS HA     31 CYSS  QB      4.82            #peak 199
 12 PHE  H      12 PHE  HB2     3.74            #peak 166
 12 PHE  H      12 PHE  HB3     3.74            #peak 165
#12 PHE  H      16 SER  HB2     4.70            #peak 170
#12 PHE  H      16 SER  HB3     4.70            #peak 169
#12 PHE  H      16 SER  QB      4.07            #peak 170
 13 ARG  H      13 ARG  HB2     3.80            #peak 159
 13 ARG  H      13 ARG  HB3     3.80            #peak 160
 13 ARG  H      13 ARG  HG2     4.52            #peak 162
 13 ARG  H      13 ARG  HG3     4.52            #peak 161
 13 ARG  H      13 ARG  QB      3.27            #peak 160
 13 ARG  H      15 GLU  H       5.00            #peak 252
 13 ARG  HA     14 ARG  H       3.56            #peak 157
 13 ARG  HA     15 GLU  H       5.54            #peak 180
 13 ARG  HB2    14 ARG  H       4.56            #peak 409
 13 ARG  HB3    14 ARG  H       4.56            #peak 408
 13 ARG  QB     14 ARG  H       3.92            #peak 409
 14 ARG  H      14 ARG  HB2     3.98            #peak 407
 14 ARG  H      14 ARG  HB3     3.98            #peak 62
 14 ARG  H      14 ARG  QB      3.47            #peak 62
 14 ARG  H      14 ARG  QD      4.38            #peak 138
 14 ARG  H      15 GLU  H       4.03            #peak 182
 14 ARG  QB     14 ARG  HE      4.77            #peak 608
 14 ARG  QB     14 ARG  QD      3.04            #peak 382
 15 GLU  H      15 GLU  HG2     4.01            #peak 128
 15 GLU  H      15 GLU  HG3     4.01            #peak 129
 15 GLU  H      15 GLU  QG      3.48            #peak 129
 15 GLU  HA     16 SER  H       3.37            #peak 48
 15 GLU  HB2    16 SER  H       4.57            #peak 86
 15 GLU  HB3    16 SER  H       4.57            #peak 85
 15 GLU  HG2    16 SER  H       5.03            #peak 87
 15 GLU  HG3    16 SER  H       5.03            #peak 88
 15 GLU  QB     16 SER  H       3.85            #peak 85
#15 GLU  QB     17 TYR  H       5.41            #peak 163
 15 GLU  QG     16 SER  H       4.20            #peak 88
#15 GLU  QG     17 TYR  H       4.69            #peak 406
 15 GLU  QG     32 CYSS QB      5.66            #peak 432
 16 SER  H      16 SER  QB      3.64            #peak 167
#16 SER  H      32 CYSS H       5.00            #peak 184
#16 SER  H      33 ARG  HA      6.11            #peak 241
 17 TYR  H      17 TYR  HB2     3.64            #peak 151
 17 TYR  H      17 TYR  HB3     3.64            #peak 285
 17 TYR  H      17 TYR  QB      3.18            #peak 285
 17 TYR  H      31 CYSS  QB      4.78            #peak 283
#17 TYR  HA     31 CYSS  H       4.83            #peak 107
#17 TYR  QB     31 CYSS  QB      4.80            #peak 533
#17 TYR  QD     18 SER  H       4.55            #peak 584
 17 TYR  QD     19 GLY  H       4.43            #peak 513
 17 TYR  QD     19 GLY  QA      4.94            #peak 587
 17 TYR  QD     29 SER  HB2     4.25            #peak 339
 17 TYR  QD     29 SER  HB3     4.64            #peak 338
 17 TYR  QD     29 SER  QB      3.40            #peak 338
 17 TYR  QE     18 SER  QB      4.35            #peak 671
 17 TYR  QE     19 GLY  H       4.35            #peak 514
 17 TYR  QE     19 GLY  QA      4.80            #peak 588
 17 TYR  QE     29 SER  HB2     4.43            #peak 340
 17 TYR  QE     29 SER  HB3     4.43            #peak 337
 17 TYR  QE     29 SER  QB      3.58            #peak 337
#17 TYR  QE     30 LEU  H       4.79            #peak 582
 18 SER  H      18 SER  QB      3.62            #peak 351
 18 SER  H      19 GLY  H       3.67            #peak 259
 18 SER  H      30 LEU  H       4.70            #peak 637
 18 SER  H      30 LEU  HG      5.60            #peak 278
 18 SER  H      30 LEU  QQD     5.15            #peak 522
 18 SER  H      31 CYSS  HA      4.68            #peak 172
 18 SER  QB     30 LEU  QQD     4.04            #peak 471
 19 GLY  H      30 LEU  H       5.30            #peak 581
 19 GLY  HA2    20 SER  H       3.57            #peak 114
 19 GLY  HA3    20 SER  H       3.57            #peak 115
 19 GLY  QA     20 SER  H       3.07            #peak 114
 20 SER  H      20 SER  QB      3.46            #peak 488
 20 SER  H      30 LEU  QQD     4.98            #peak 316
 20 SER  HA     29 SER  HA      4.88            #peak 490
 20 SER  HA     30 LEU  QQD     4.95            #peak 495
 20 SER  QB     22 ASN  H       6.30            #peak 508
 21 CYSS  H      21 CYSS  HB2     3.80            #peak 96
 21 CYSS  H      21 CYSS  HB3     3.80            #peak 92
 21 CYSS  H      21 CYSS  QB      3.13            #peak 92
 21 CYSS  H      23 ILE  H       6.61            #peak 224
 21 CYSS  H      29 SER  HA      4.50            #peak 634
 21 CYSS  H      29 SER  QB      5.22            #peak 353
 21 CYSS  H      30 LEU  QQD     6.15            #peak 317
 21 CYSS  HA     22 ASN  H       3.31            #peak 21
 21 CYSS  HA     23 ILE  H       5.83            #peak 260
 21 CYSS  HA     27 ILE  HG12    5.29            #peak 494
 21 CYSS  HA     27 ILE  HG13    4.95            #peak 493
 21 CYSS  HA     27 ILE  QD1     5.80            #peak 0
 21 CYSS  HB2    23 ILE  H       5.00            #peak 261
 21 CYSS  HB3    23 ILE  H       5.55            #peak 262
 21 CYSS  QB     22 ASN  HA      4.50            #peak 559
 21 CYSS  QB     23 ILE  H       4.77            #peak 261
 22 ASN  H      22 ASN  HB2     4.04            #peak 154
 22 ASN  H      22 ASN  HB3     4.04            #peak 153
 22 ASN  H      22 ASN  QB      3.32            #peak 153
 22 ASN  H      23 ILE  H       5.08            #peak 223
 22 ASN  H      23 ILE  QG1     4.35            #peak 249
 22 ASN  QD2    25 GLY  QA      5.27            #peak 502
 23 ILE  H      23 ILE  HB      3.91            #peak 66
 23 ILE  H      23 ILE  HG12    4.42            #peak 67
 23 ILE  H      23 ILE  HG13    4.42            #peak 68
 23 ILE  H      23 ILE  QD1     5.11            #peak 72
 23 ILE  H      23 ILE  QG2     4.15            #peak 71
 23 ILE  H      24 ASN  H       4.98            #peak 222
 23 ILE  H      25 GLY  H       5.21            #peak 251
 23 ILE  H      26 ARG  H       4.23            #peak 181
 23 ILE  H      27 ILE  HA      4.50            #peak 613
 23 ILE  H      28 PHE  QD      4.02            #peak 582
 23 ILE  H      28 PHE  QE      5.02            #peak 583
 23 ILE  HA     23 ILE  QD1     4.42            #peak 480
 23 ILE  HA     23 ILE  QG2     3.92            #peak 362
 23 ILE  HA     24 ASN  H       3.11            #peak 35
 23 ILE  HB     23 ILE  QD1     3.99            #peak 469
 23 ILE  HB     24 ASN  H       4.89            #peak 218
 23 ILE  HB     28 PHE  HZ      3.77            #peak 332
 23 ILE  HG12   28 PHE  QE      4.69            #peak 310
 23 ILE  HG13   28 PHE  QE      4.69            #peak 309
 23 ILE  QD1    28 PHE  HZ      5.05            #peak 318
 23 ILE  QD1    28 PHE  QE      4.48            #peak 308
 23 ILE  QG1    24 ASN  H       4.88            #peak 217
 23 ILE  QG1    28 PHE  HZ      5.04            #peak 320
 23 ILE  QG1    28 PHE  QE      4.03            #peak 310
 23 ILE  QG2    23 ILE  QD1     3.29            #peak 468
 23 ILE  QG2    24 ASN  H       4.08            #peak 216
 23 ILE  QG2    24 ASN  HD21    4.81            #peak 602
 23 ILE  QG2    24 ASN  HD22    4.81            #peak 601
 23 ILE  QG2    24 ASN  QB      4.66            #peak 620
 23 ILE  QG2    28 PHE  HZ      4.47            #peak 319
 23 ILE  QG2    28 PHE  QE      4.72            #peak 307
 24 ASN  QB     26 ARG  QG      4.38            #peak 435
 24 ASN  QB     28 PHE  HZ      4.62            #peak 328
 25 GLY  H      26 ARG  H       3.95            #peak 183
 26 ARG  H      26 ARG  HB2     4.03            #peak 54
 26 ARG  H      26 ARG  HB3     4.03            #peak 53
 26 ARG  H      26 ARG  HG2     4.69            #peak 52
 26 ARG  H      26 ARG  HG3     4.69            #peak 51
 26 ARG  H      26 ARG  QB      3.35            #peak 54
 26 ARG  H      26 ARG  QD      4.97            #peak 108
 26 ARG  H      26 ARG  QG      3.98            #peak 52
 26 ARG  H      27 ILE  H       5.06            #peak 253
 26 ARG  H      27 ILE  QG1     6.50            #peak 613
 26 ARG  HA     27 ILE  H       3.06            #peak 78
 26 ARG  HB2    27 ILE  H       4.59            #peak 414
 26 ARG  HB2    28 PHE  HZ      4.45            #peak 336
 26 ARG  HB3    27 ILE  H       4.08            #peak 413
 26 ARG  HB3    28 PHE  HZ      4.65            #peak 334
 26 ARG  QB     26 ARG  HE      4.70            #peak 122
 26 ARG  QB     27 ILE  H       3.67            #peak 414
 26 ARG  QB     28 PHE  HZ      4.03            #peak 336
 26 ARG  QB     28 PHE  QE      4.45            #peak 610
 26 ARG  QG     27 ILE  H       4.33            #peak 415
 27 ILE  H      27 ILE  HB      3.45            #peak 59
 27 ILE  H      27 ILE  HG12    4.84            #peak 60
 27 ILE  H      27 ILE  HG13    4.61            #peak 61
 27 ILE  H      27 ILE  QD1     4.53            #peak 73
 27 ILE  H      27 ILE  QG2     4.41            #peak 74
 27 ILE  HB     27 ILE  QD1     4.13            #peak 449
#27 ILE  HB     28 PHE  HZ      7.32            #peak 611
 27 ILE  HG12   28 PHE  H       4.95            #peak 275
 27 ILE  HG13   28 PHE  H       5.36            #peak 276
 27 ILE  QG1    29 SER  QB      6.35            #peak 524
 27 ILE  QG2    27 ILE  HG12    3.84            #peak 454
 27 ILE  QG2    27 ILE  HG13    3.84            #peak 460
 27 ILE  QG2    27 ILE  QD1     2.96            #peak 461
 27 ILE  QG2    27 ILE  QG1     3.27            #peak 454
 28 PHE  H      28 PHE  QD      5.00            #peak 678
 28 PHE  H      28 PHE  QE      4.86            #peak 630
 28 PHE  HA     28 PHE  QD      3.58            #peak 481
 28 PHE  HA     28 PHE  QE      4.83            #peak 679
 29 SER  H      29 SER  HB2     4.18            #peak 19
 29 SER  H      29 SER  HB3     4.18            #peak 18
 29 SER  H      29 SER  QB      3.55            #peak 19
 29 SER  HA     30 LEU  H       3.24            #peak 146
 29 SER  HB2    30 LEU  H       4.76            #peak 267
 29 SER  HB3    30 LEU  H       4.76            #peak 266
 29 SER  QB     30 LEU  H       3.88            #peak 266
 30 LEU  H      30 LEU  HG      4.94            #peak 63
 30 LEU  H      30 LEU  QD1     4.10            #peak 70
 30 LEU  H      30 LEU  QD2     4.42            #peak 69
 30 LEU  H      30 LEU  QQD     3.74            #peak 69
 30 LEU  H       6 CYSS  H       5.85            #peak 627
 30 LEU  HA     31 CYSS  H       2.72            #peak 37
 30 LEU  HB2    20 SER  HA      4.88            #peak 633
 30 LEU  QQD    31 CYSS  H       3.37            #peak 215
 31 CYSS  H      31 CYSS  HB2     3.68            #peak 176
 31 CYSS  H      31 CYSS  HB3     3.90            #peak 174
 31 CYSS  H      31 CYSS  QB      3.16            #peak 176
 31 CYSS  HA     19 GLY  H       5.08            #peak 638
 31 CYSS  HA     32 CYSS  H       3.49            #peak 22
 31 CYSS  HB2    32 CYSS  H       4.85            #peak 206
 31 CYSS  HB3    11 CYSS  HB3     4.85            #peak 642
 31 CYSS  HB3    32 CYSS  H       4.85            #peak 205
 31 CYSS  QB     32 CYSS  H       4.23            #peak 205
 32 CYSS  H      32 CYSS  QB      3.70            #peak 97
 32 CYSS  H      33 ARG  H       4.60            #peak 228
 32 CYSS  HA     33 ARG  H       3.23            #peak 26
 32 CYSS  HB2    33 ARG  H       4.49            #peak 210
 32 CYSS  HB2     4 CYSS HB2     4.50            #peak 629
 32 CYSS  HB3    33 ARG  H       4.49            #peak 209
 32 CYSS  QB     33 ARG  H       3.95            #peak 210
 33 ARG  H      33 ARG  HB2     4.01            #peak 212
 33 ARG  H      33 ARG  HB3     4.01            #peak 211
 33 ARG  H      33 ARG  HG2     4.33            #peak 99
 33 ARG  H      33 ARG  HG3     4.33            #peak 98
 33 ARG  H      33 ARG  QB      3.52            #peak 211
 33 ARG  H      33 ARG  QD      5.00            #peak 90
 33 ARG  H      33 ARG  QG      3.75            #peak 99
 33 ARG  HB2    33 ARG  HE      4.33            #peak 124
 33 ARG  HB3    33 ARG  HE      4.33            #peak 123
 33 ARG  QB     33 ARG  QD      3.24            #peak 204


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