NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8341 |
1m2s   |
cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
1 PHE
HA 1 PHE HB2 3.90 # 2 667000.0 e 8 152
HA 1 PHE HB3 4.50 # 2 279100.0 e 8 153
HA 2 GLY HN 3.40 # 2 1474000.0 e 8 149
HB2 1 PHE QD 5.40 # r 1 381500.0*2e 8 454
HB2 2 GLY HN 4.30 # 2 360400.0 e 8 150
HB2 37 TYR HA 4.60 # 5 279100.0 e 8 506
HB3 1 PHE QD 5.20 # r 1 548500.0*2e 8 455
HB3 2 GLY HN 4.20 # 2 459900.0 e 8 151
HB3 37 TYR HN 4.50 # 5 308800.0 e 8 538
HB3 37 TYR QD 6.70 # r 5 244750.0*2e 8 507
QD 1 PHE QE 7.10 # rr 1 612250.0*4e 8 475
QD 2 GLY HA1 6.70 # r 5 226250.0*2e 8 456
2 GLY
HN 2 GLY HA1 4.20 # 2 435700.0 e 8 132
HN 2 GLY HA2 4.10 # 2 547000.0 e 8 148
HN 3 LEU HN 5.70 # 2 69280.0 e 8 508
HA1 3 LEU HN 3.50 # 2 1447000.0 e 8 156
HA1 36 CYSS HN 3.60 # 4 419500.0 e 8 503
HA2 3 LEU HN 3.50 # 2 1244000.0 e 8 157
3 LEU
HN 3 LEU QB 4.10 # i 2 1306500.0*2e 8 44
HN 3 LEU HG 3.20 # 1 521600.0 e 8 46
HN 3 LEU QQD 8.40 # q 1M 74800.0*2e 8 158
QB 3 LEU QQD 6.80 # m 1M 522250.0*4e 8 159
QB 4 ILE HN 6.30 # m 2 106650.0*2e 8 172
HG 3 LEU QQD 5.90 # 1M 432600.0*2e 8 160
HG 4 ILE HN 4.30 # 5 382800.0 e ! 8 173
QQD 35 ARG HB3 7.90 # 5M 264400.0*2e 8 504
QQD 35 ARG HG2 6.80 # 5M 861500.0*2e 8 489
4 ILE
HN 4 ILE HA 5.40 # 2 91980.0 e 8 52
HN 4 ILE HB 4.40 # 2 330400.0 e 8 53
HN 4 ILE QG2 5.10 # 1M 196800.0 e 8 57
HN 4 ILE HG12 2.90 # 1 1001000.0 e 8 54
HN 4 ILE HG13 2.70 # 1 1553000.0 e 8 55
HN 4 ILE QD1 4.70 # 1M 401100.0 e 8 56
HN 5 ASP HN 5.10 # 2 128900.0 e 8 314
HN 34 CYSS HB3 4.80 # 5 217400.0 e 8 498
HA 4 ILE HB 4.00 # 2 576500.0 e 8 171
HA 5 ASP HN 4.70 # 2 235600.0 e 8 174
HB 4 ILE QG2 3.90 # 1M 1071000.0 e 8 161
HB 4 ILE HG12 2.70 # 1 1459000.0 e 8 164
HB 4 ILE HG13 2.90 # 1 855400.0 e 8 163
HB 4 ILE QD1 3.60 # 1M 1758000.0 e 8 162
HB 5 ASP HN 3.30 # 2 1761000.0 e 8 175
QG2 4 ILE HG12 3.80 # 1M 1309000.0 e 8 165
QG2 4 ILE HG13 3.90 # 1M 1123000.0 e 8 168
QG2 4 ILE QD1 5.00 # m 1M 852500.0 e 8 170
QG2 5 ASP HN 6.50 # 5M 257900.0 e 8 178
QG2 6 VAL HN 6.80 # 5M 207500.0 e 8 184
QG2 18 CYSS HN 7.00 # 5M 173900.0 e 8 260
QG2 18 CYSS HA 6.00 # 5M 436700.0 e 8 261
QG2 34 CYSS HB2 5.40 # 5M 790400.0 e 8 481
QG2 34 CYSS HB3 5.20 # 5M 1030000.0 e 8 480
QG2 35 ARG HG2 4.70 # 5M 1894000.0 e 8 188
HG12 4 ILE QD1 4.20 # 1M 643900.0 e 8 166
HG12 5 ASP HN 4.70 # 5 237800.0 e 8 176
HG12 6 VAL HN 4.00 <# 5 613500.0 e 8 182
HG12 34 CYSS HN 5.00 # 5 172500.0 e 8 395
HG12 34 CYSS HB2 4.00 # 5 668200.0 e 8 477
HG12 34 CYSS HB3 3.60 # 5 1110000.0 e 8 476
HG13 4 ILE QD1 3.80 # 1M 1146000.0 e 8 169
HG13 6 VAL HN 5.30 ># 5 121000.0 e 8 183
HG13 34 CYSS HB2 4.10 # 5 512900.0 e 8 478
HG13 34 CYSS HB3 3.50 # 5 1322000.0 e 8 479
QD1 5 ASP HN 6.30 # 5M 331200.0 e 8 177
5 ASP
HN 5 ASP HB2 3.90 # 2 720500.0 e 8 134
HN 5 ASP HB3 3.60 # 2 1157000.0 e 8 133
HN 6 VAL HN 5.00 # 2 162200.0 e 8 313
HB2 6 VAL HN 4.30 # 2 381400.0 e 8 181
HB3 6 VAL HN 4.80 # 2 195900.0 e 8 180
6 VAL
HN 6 VAL HA 3.70 # 2 893200.0 e 8 78
HN 6 VAL QQG 5.90 # s 1M 680000.0*2e 8 77
HN 7 LYS HN 5.00 # 2 160800.0 e 8 513
HN 33 GLN QG 5.40 # m 5 346350.0*2e 8 550
HA 6 VAL QQG 4.30 # i 1M 1393000.0*2e 8 187
HA 7 LYS HN 2.80 # 2 4875000.0 e 8 185
QQG 7 LYS HN 7.10 # 5M 619000.0*2e 8 186
QQG 7 LYS QD 7.40 # m 5M 1291000.0*4e 8 189
QQG 34 CYSS HB2 7.80 # 5M 298950.0*2e 8 483
QQG 34 CYSS HB3 7.80 # 5M 282500.0*2e 8 482
7 LYS
HN 7 LYS QB 4.10 # i 2 1276500.0*2e 8 48
HN 7 LYS QG 5.40 # m 1 70850.0*2e 8 50
HN 7 LYS QD 4.60 # m 1 250150.0*2e 8 49
HN 33 GLN HA 4.90 # 4 77090.0 e 8 190
QB 8 CYSS HN 6.00 # m 2 149150.0*2e 8 195
QG 8 CYSS HN 6.10 # m 5 139600.0*2e 8 197
QD 8 CYSS HN 6.40 # m 5 107300.0*2e 8 196
8 CYSS
HN 8 CYSS HB2 5.10 # 2 141500.0 e 8 146
HN 8 CYSS HB3 4.40 # 2 319100.0 e 8 145
HN 32 ASN HN 5.40 # 4 34240.0 e 8 516
HN 32 ASN HA 4.00 # 4 216600.0 e 8 192
HN 32 ASN HB2 4.20 # 5 459800.0 e 8 193
HN 32 ASN HB3 4.60 # 5 289700.0 e 8 194
HN 33 GLN HA 3.60 # 4 361800.0 e 8 191
HA 8 CYSS HB3 4.00 # 2 599040.0 e 622-D2O 17
HA 13 GLU HB3 3.50 # 5 1320000.0 e 622-D2O 18
HA 29 CYSS HB3 3.80 # 5 1110600.0 e 622-D2O 19
HB2 9 PHE HN 4.10 # 2 513900.0 e 8 202
HB2 10 ALA HN 3.30 <# 3 803800.0 e 8 210
HB3 9 PHE HN 4.40 # 2 325400.0 e 8 203
HB3 10 ALA HN 4.10 ># 3 249600.0 e 8 212
9 PHE
HN 9 PHE HA 5.10 # 2 137400.0 e 8 19
HN 9 PHE HB2 4.60 ># 2 261500.0 e 8 20
HN 9 PHE HB3 3.80 <# 2 845000.0 e 8 21
HN 9 PHE QD 5.70 # r 1 198350.0*2e 8 566
HN 10 ALA HN 3.70 # 2 965700.0 e 8 301
HN 13 GLU HB3 5.00 # 3 64520.0 e 8 204
HA 9 PHE HB2 3.90 # 2 694200.0 e 8 205
HA 9 PHE HB3 3.90 # 2 720900.0 e 8 206
HA 9 PHE QD 5.50 # m 1 66900.0*2e 8 451
HA 10 ALA HN 5.70 # 2 69410.0 e 8 208
HA 32 ASN HD21 5.00 # 5 164400.0 e 8 443
HA 32 ASN HD22 5.30 # 5 118900.0 e 8 444
HB2 9 PHE QD 5.10 # r 1 618500.0*2e 8 450
HB2 10 ALA HN 5.40 # 2 93280.0 e 8 211
HB3 9 PHE QD 5.10 # r 1 671500.0*2e 8 449
HB3 10 ALA HN 5.80 # 2 64170.0 e 8 209
QD 10 ALA QB 8.80 # r 5M 211950.0*2e 8 448
10 ALA
HN 10 ALA QB 3.60 # s 2M 701300.0 e 8 76
HN 13 GLU HB3 4.50 # 3 119300.0 e 8 213
HN 29 CYSS HB3 5.00 # 5 156800.0 e 8 549
HA 10 ALA QB 4.70 # 2M 133080.0 e 622-D2O 23
QB 11 SER HN 3.70 # 2M 559200.0 e 8 539
QB 11 SER QB 7.30 # m 5M 310450.0*2e 8 217
QB 12 SER HN 3.50 # s 3M 947800.0 e 8 220
QB 13 GLU HN 3.90 # 3M 546300.0 e 8 230
QB 13 GLU HB2 6.30 # 5M 328500.0 e 8 238
QB 13 GLU HB3 6.00 # 5M 423100.0 e 8 239
11 SER
HN 11 SER HA 4.00 # 2 586000.0 e 8 6
HN 11 SER QB 4.70 # i 2 522500.0*2e 8 5
HN 12 SER HN 4.10 # 2 516400.0 e 8 299
HN 29 CYSS HB2 5.30 # 5 117200.0 e 8 125
HN 29 CYSS HB3 5.20 # 5 132300.0 e 8 124
HA 11 SER QB 4.40 # m 2 1727000.0*2e 8 216
HA 12 SER HN 4.80 # 2 206900.0 e 8 219
HA 12 SER HA 4.70 # 2 370500.0 e ! 8 226
HA 14 CYSS HN 4.00 # 3 237700.0 e 8 240
HA 14 CYSS HB2 3.50 # 3 526800.0 e 8 245
HA 15 TRP HN 5.00 # 3 59750.0 e 8 518
HA 15 TRP HD1 5.20 # 5 128500.0 e 8 438
HA 28 LYS HA 2.80 # 4 2344800.0 e ! 622-D2O 14
HA 29 CYSS HN 3.00 # 4 1098000.0 e 8 370
HA 29 CYSS HA 4.80 # 4 65916.0 e 622-D2O 9
HA 29 CYSS HB2 3.50 # 5 1438000.0 e 8 215
HA 29 CYSS HB3 3.20 # 5 2531000.0 e 8 214
QB 12 SER HN 5.60 # m 2 247600.0*2e 8 218
QB 15 TRP HN 5.90 # m 3 73000.0*2e 8 519
QB 28 LYS HA 4.40 # m 5 1802400.1*2e 622-D2O 15
QB 29 CYSS HN 6.30 # m 5 111300.0*2e 8 371
12 SER
HN 12 SER HA 3.70 # 2 998400.0 e 8 58
HN 12 SER HB2 4.00 ># 2 558800.0 e 8 60
HN 12 SER HB3 3.50 <# 2 1400000.0 e 8 59
HN 13 GLU HN 4.00 # 2 591000.0 e 8 310
HN 14 CYSS HN 4.80 # 3 75060.0 e 8 514
HA 12 SER HB2 3.60 # 2 1138000.0 e 8 224
HA 12 SER HB3 3.20 # 2 2126000.0 e 8 221
HA 13 GLU HN 4.40 # 2 330500.0 e 8 227
HA 15 TRP HN 3.90 # 3 269900.0 e 8 521
HA 15 TRP HE3 4.40 # 5 340000.0 e 8 426
HA 15 TRP HZ3 5.30 # 5 115100.0 e 8 433
HA 16 THR HN 5.70 # 3 27340.0 e 8 499
HB2 13 GLU HN 5.30 # 2 107700.0 e 8 228
HB2 15 TRP HE3 4.70 # 5 254900.0 e 8 429
HB2 15 TRP HZ3 5.20 # 5 128400.0 e 8 431
HB3 13 GLU HN 4.80 # 2 197400.0 e 8 229
HB3 15 TRP HZ3 4.60 # 5 269100.0 e 8 432
13 GLU
HN 13 GLU HA 3.60 # 2 1197000.0 e 8 112
HN 13 GLU HB2 3.40 # 2 1473000.0 e 8 110
HN 13 GLU HB3 3.10 # 2 2777000.0 e 8 111
HN 13 GLU QG 4.50 # m 1 296850.0*2e 8 109
HN 14 CYSS HN 3.60 # 2 1080000.0 e 8 312
HA 13 GLU HB2 4.00 ># 2 568900.0 e 8 232
HA 13 GLU HB3 3.20 <# 2 2314000.0 e 8 233
HA 13 GLU QG 3.80 # i 1 481050.0*2e 8 231
HA 14 CYSS HN 4.50 # 2 307600.0 e 8 241
HA 15 TRP HN 4.20 # 3 180600.0 e 8 522
HB2 13 GLU QG 3.70 # m 1 1580000.0*2e 8 234
HB2 14 CYSS HN 5.50 ># 2 90210.0 e 8 243
HB3 13 GLU QG 3.60 # m 1 1678000.0*2e 8 235
HB3 14 CYSS HN 3.90 <# 2 675900.0 e 8 242
HB3 15 TRP HN 3.90 # 3 314000.0 e 8 248
14 CYSS
HN 14 CYSS HB2 3.90 ># 2 661000.0 e 8 144
HN 14 CYSS HB3 3.30 <# 2 1900000.0 e 8 143
HN 15 TRP HN 3.40 # 2 1648000.0 e 8 309
HN 17 ALA HN 4.30 # 3 185200.0 e ! 8 419
HA 14 CYSS HB2 5.50 ># 2 86976.0 e 622-D2O 21
HA 14 CYSS HB3 4.30 <# 2 401160.0 e 622-D2O 22
HB2 15 TRP HN 5.00 ># 2 152700.0 e 8 247
HB2 34 CYSS HA 5.30 ># 5 117336.0 e 622-D2O 26
HB3 15 TRP HN 3.90 <# 2 732300.0 e 8 246
HB3 15 TRP HD1 4.70 # 5 250000.0 e 8 552
HB3 15 TRP HE1 5.70 # 5 74120.0 e 8 497
HB3 28 LYS HN 4.90 # 5 178900.0 e 8 369
HB3 34 CYSS HA 4.10 <# 5 550900.0 e 8 558
15 TRP
HN 15 TRP HB2 3.50 # 2 1427000.0 e 8 416
HN 15 TRP HB3 3.60 # 2 1061000.0 e 8 415
HN 16 THR HN 3.80 # 2 752800.0 e 8 308
HA 15 TRP HB3 4.50 # 2 288200.0 e 8 491
HA 15 TRP HD1 4.20 # 1 106000.0 e 8 551
HB2 15 TRP HD1 3.50 <# 1 318200.0 e 8 434
HB2 15 TRP HE3 2.90 # 1 959000.0 e 8 424
HB2 16 THR HN 3.60 # 2 1059000.0 e 8 417
HB3 15 TRP HD1 4.10 ># 1 112800.0 e 8 435
HB3 15 TRP HE3 3.20 # 1 494100.0 e 8 425
HB3 16 THR HN 3.70 # 2 894800.0 e 8 418
HD1 15 TRP HE1 2.70 # 1 1606000.0 e 8 420
HD1 26 GLN HA 4.40 # 5 351800.0 e 8 437
HD1 27 GLY HN 4.10 # 5 540800.0 e 8 529
HD1 27 GLY HA2 5.50 # 5 89560.0 e 8 553
HE3 15 TRP HZ3 2.60 # 1 1673000.0 e 8 471
HE3 16 THR QG2 5.90 # 5M 491100.0 e 8 430
HE3 26 GLN HA 5.80 # 5 69560.0 e 8 428
HE1 15 TRP HZ2 3.00 # 1 721600.0 e 8 421
HE1 27 GLY HN 5.30 # 5 121800.0 e 8 422
HZ3 15 TRP HH2 2.50 # s 1 2451000.0 e 8 532
HZ2 15 TRP HH2 2.60 # 1 1985000.0 e 8 472
16 THR
HN 16 THR HA 3.60 # 2 1077000.0 e 8 65
HN 16 THR HB 3.40 # 2 1541000.0 e ! 8 64
HN 16 THR QG2 4.70 # 1M 337600.0 e 8 66
HN 17 ALA HN 3.60 # 2 1158000.0 e 8 318
HN 18 CYSS HN 5.30 # 3 44680.0 e 8 512
HA 16 THR HB 3.30 # 2 2067000.0 e 8 250
HA 16 THR QG2 3.60 # 1M 1699000.0 e 8 251
HA 17 ALA HN 4.40 # 2 323900.0 e 8 254
HA 19 LYS HN 3.80 # 3 314300.0 e 8 271
HA 19 LYS HB2 3.10 # 3 1051000.0 e 8 278
HA 19 LYS HB3 3.40 # 3 620700.0 e 8 279
HA 19 LYS QD 5.90 # m 5 194950.0*2e 8 257
HA 20 LYS HN 4.80 # 3 79390.0 e 8 293
HB 16 THR QG2 3.70 # 1M 1545000.0 e 8 252
HB 17 ALA HN 3.70 # 2 990600.0 e 8 255
QG2 17 ALA HN 6.20 # 5M 355700.0 e 8 253
17 ALA
HN 17 ALA HA 3.50 # 2 1313000.0 e 8 80
HN 17 ALA QB 3.50 # s 2M 1794000.0 e 8 79
HN 18 CYSS HN 3.60 # 2 1042000.0 e 8 316
HA 17 ALA QB 3.50 # s 2M 3390000.0 e 8 256
HA 18 CYSS HN 4.50 # 2 271400.0 e 8 258
HA 19 LYS HN 4.20 # 3 177500.0 e 8 269
QB 18 CYSS HN 3.50 # s 2M 695900.0 e 8 259
QB 34 CYSS HB2 5.30 # 5M 910000.0 e 8 485
QB 34 CYSS HB3 4.90 # 5M 1536000.0 e 8 484
18 CYSS
HN 18 CYSS HA 4.70 # 2 211900.0 e 8 26
HN 18 CYSS HB2 3.90 # 2 732200.0 e 8 27
HN 18 CYSS HB3 3.40 # 2 1611000.0 e 8 28
HN 19 LYS HN 3.60 # 2 1075000.0 e 8 315
HN 20 LYS HN 4.70 # 3 84750.0 e 8 517
HA 18 CYSS HB2 3.70 # 2 937300.0 e 8 263
HA 18 CYSS HB3 4.20 # 2 414700.0 e 8 262
HA 19 LYS HN 4.90 # 2 163800.0 e 8 267
HA 21 VAL HN 5.00 # 3 62690.0 e 8 501
HB2 19 LYS HN 4.50 # 2 302500.0 e 8 266
HB2 19 LYS HG3 4.90 # 5 194600.0 e 8 562
HB2 25 GLY HA1 3.90 # 5 798200.0 e 8 280
HB2 26 GLN HN 5.00 # 5 166900.0 e 8 355
HB2 36 CYSS HA 4.40 # 5 365040.0 e 622-D2O 4
HB2 36 CYSS HB2 4.20 # 5 463100.0 e 8 563
HB2 36 CYSS HB3 4.10 # 5 560500.0 e 8 561
HB3 19 LYS HN 4.10 # 2 509000.0 e 8 265
HB3 19 LYS HG2 4.40 # 5 339700.0 e 8 283
HB3 19 LYS HG3 4.60 # 5 271100.0 e 8 284
HB3 19 LYS QD 6.10 # m 5 150100.0*2e 8 282
HB3 25 GLY HA1 4.40 # 5 376800.0 e 8 281
19 LYS
HN 19 LYS HA 3.30 # 2 1918000.0 e 8 69
HN 19 LYS HB2 3.30 # 2 1837000.0 e 8 70
HN 19 LYS HB3 3.40 # 2 1902000.0 e 8 71
HN 19 LYS HG2 3.80 # 1 175000.0 e 8 73
HN 19 LYS HG3 3.30 # 1 426400.0 e 8 74
HN 19 LYS QD 5.20 # m 1 98000.0*2e 8 72
HN 20 LYS HN 3.50 # 2 1389000.0 e 8 307
HN 25 GLY HA1 3.50 <# 4 496000.0 e 8 268
HN 25 GLY HA2 4.20 ># 4 152500.0 e 8 270
HA 19 LYS HB2 3.40 # 2 1466000.0 e 8 273
HA 19 LYS HB3 3.40 # 2 1541000.0 e 8 274
HA 19 LYS HG2 3.50 # 1 286900.0 e 8 276
HA 19 LYS HG3 3.00 # 1 699000.0 e 8 277
HA 19 LYS QD 4.80 # m 1 181150.0*2e 8 275
HA 20 LYS HN 4.10 # 2 513400.0 e 8 292
HA 22 THR HN 4.50 # 3 122100.0 e 8 328
HA 23 GLY HN 3.20 # 3 980100.0 e 8 557
HA 24 SER HN 3.20 # 4 734900.0 e 8 345
HA 25 GLY HN 4.00 # 4 216700.0 e 8 349
HA 25 GLY HA1 4.70 # 4 78790.0 e 8 556
HB2 19 LYS HG2 3.10 # 1 585300.0 e 8 287
HB2 19 LYS HG3 3.70 # 1 217500.0 e 8 288
HB2 20 LYS HN 3.30 # 2 1795000.0 e 8 289
HB2 25 GLY HA1 4.70 # 5 246300.0 e 8 554
HB3 25 GLY HA1 4.30 # 5 432400.0 e 8 559
HB3 25 GLY HA2 4.60 # 5 278600.0 e 8 560
HG2 20 LYS HN 4.50 # 5 326600.0 e 8 290
HG3 20 LYS HN 5.10 # 5 141600.0 e 8 291
QD 25 GLY HN 7.00 # m w 5 48845.0*2e 8 569
20 LYS
HN 20 LYS HA 3.40 # 2 1657000.0 e 8 98
HN 20 LYS HB2 3.20 # 2 2407000.0 e 8 94
HN 20 LYS QG 5.20 # m 1 97250.0*2e 8 97
HN 20 LYS QD 4.30 # m 1 399100.0*2e 8 96
HA 20 LYS HB2 3.00 # 2 3373000.0 e 8 294
HA 20 LYS QD 5.00 # m 1 139000.0*2e 8 295
21 VAL
HN 21 VAL HA 3.50 # 2 1289000.0 e 8 93
HN 21 VAL HB 3.30 # 2 2046000.0 e 8 90
HN 21 VAL QG1 3.70 <# 1M 1354000.0 e 8 91
HN 21 VAL QG2 4.50 ># 1M 440900.0 e 8 92
HN 22 THR HN 3.30 # 2 1853000.0 e 8 303
HA 21 VAL HB 3.40 # 2 1473000.0 e 8 319
HA 21 VAL QG1 3.60 # 1M 1580000.0 e 8 320
HA 21 VAL QG2 3.80 # 1M 1266000.0 e 8 321
HA 22 THR HN 4.10 # 2 483200.0 e 8 324
HB 21 VAL QG1 3.90 # 1M 1059000.0 e 8 322
HB 21 VAL QG2 3.60 # 1M 1657000.0 e 8 323
HB 22 THR HN 3.50 # 2 1248000.0 e 8 325
HB 22 THR HA 4.40 # 2 335200.0 e 8 334
HB 22 THR QG2 5.70 # 5M 581400.0 e 8 339
HB 23 GLY HN 4.60 # 3 108100.0 e 8 330
QG1 22 THR HN 6.70 # 5M 230800.0 e 8 326
QG1 22 THR HA 6.70 # 5M 232500.0 e 8 336
QG2 22 THR HN 6.70 # 5M 219500.0 e 8 327
QG2 22 THR HA 6.40 # 5M 283800.0 e 8 335
22 THR
HN 22 THR HA 4.40 # 2 319800.0 e 8 37
HN 22 THR HB 5.50 # 2 88270.0 e 8 38
HN 22 THR QG2 3.90 # 1M 1020000.0 e 8 39
HN 23 GLY HN 3.20 # 2 2328000.0 e 8 302
HN 23 GLY HA2 5.60 # 2 80100.0 e 8 329
HN 24 SER HN 4.50 # 3 117500.0 e 8 509
HA 22 THR HB 3.40 # 2 1521000.0 e 8 333
HA 22 THR QG2 4.20 # 1M 672400.0 e 8 338
HA 23 GLY HN 5.30 # 2 109500.0 e 8 340
HB 22 THR QG2 3.60 # 1M 1789000.0 e 8 337
HB 23 GLY HN 5.50 # 2 85350.0 e 8 331
HB 24 SER HN 4.70 # 3 90460.0 e 8 342
23 GLY
HN 23 GLY HA1 4.00 ># 2 573700.0 e 8 67
HN 23 GLY HA2 3.30 <# 2 2034000.0 e 8 68
HN 24 SER HN 3.60 # 2 1048000.0 e 8 305
HA1 24 SER HN 4.90 # 2 169800.0 e 8 343
HA2 24 SER HN 4.30 # 2 370600.0 e 8 344
24 SER
HN 24 SER QB 4.40 # i 2 843500.0*2e 8 51
HN 25 GLY HN 5.10 # 2 134300.0 e 8 510
HA 24 SER QB 6.40 # m 2 98000.0*2e 8 351
HA 25 GLY HN 4.80 # 2 193100.0 e 8 346
QB 25 GLY HN 6.10 # m 2 133100.0*2e 8 348
QB 26 GLN HN 5.70 # m 3 94150.0*2e 8 353
25 GLY
HN 25 GLY HA1 3.60 # 2 1063000.0 e 8 40
HN 25 GLY HA2 3.30 # 2 1966000.0 e 8 41
HN 26 GLN HN 4.20 # 2 444400.0 e 8 304
HA1 26 GLN HN 4.10 # 2 479400.0 e 8 354
HA2 26 GLN HN 4.20 # 2 452500.0 e 8 352
26 GLN
HN 26 GLN HA 3.70 # 2 963700.0 e 8 101
HN 26 GLN HB2 4.10 # 2 538600.0 e 8 105
HN 26 GLN HB3 3.60 # 2 1167000.0 e 8 106
HN 26 GLN HG2 3.40 # 1 329300.0 e 8 102
HN 26 GLN HG3 3.70 # 1 215500.0 e 8 103
HA 26 GLN HB2 3.50 # 2 1379000.0 e 8 358
HA 26 GLN HB3 3.60 # 2 1049000.0 e 8 359
HA 26 GLN HG2 3.40 # 1 360600.0 e 8 356
HA 26 GLN HG3 3.20 # 1 490600.0 e 8 357
HA 27 GLY HN 3.00 # 2 3408000.0 e 8 365
HB2 26 GLN HG2 3.40 # 1 345400.0 e 8 364
HB2 27 GLY HN 4.60 <# 2 262400.0 e 8 366
HB2 37 TYR HN 4.90 # 5 188400.0 e 8 500
HB2 37 TYR QD 6.90 # r 5 177200.0*2e 8 461
HB2 37 TYR QE 6.20 <# r 5 450150.0*2e 8 567
HB3 26 GLN HG2 4.20 # 1 99110.0 e 8 363
HB3 27 GLY HN 6.00 ># 2 49490.0 e 8 367
HB3 37 TYR HB3 4.00 # 5 655400.0 e 8 547
HB3 37 TYR QD 7.30 # r 5 109500.0*2e 8 462
HB3 37 TYR QE 7.10 ># r 5 154050.0*2e 8 568
27 GLY
HN 27 GLY HA2 4.30 # 2 400400.0 e 8 75
HA1 36 CYSS HA 6.00 # w 4 0.0 e 622-D2O 39
HA2 28 LYS HN 4.30 # 2 402600.0 e 8 130
HA2 36 CYSS HA 3.80 # 4 294360.0 e 622-D2O 6
HA2 37 TYR HN 5.00 # 4 49880.0 e 8 495
28 LYS
HN 28 LYS QB 5.10 # i 2 299950.0*2e 8 15
HN 28 LYS QG 4.80 # m 1 187150.0*2e 8 374
HN 35 ARG HN 3.20 # 4 770200.0 e 8 298
HN 35 ARG HB2 4.40 # 5 344700.0 e 8 368
HN 35 ARG QD 7.00 # m w 5 44005.0*2e 8 502
HN 36 CYSS HA 4.40 # 4 109300.0 e 8 377
HA 28 LYS QB 4.40 # m 2 1646400.1*2e 622-D2O 20
QB 29 CYSS HN 5.50 # m 2 294050.0*2e 8 372
QG 29 CYSS HN 5.80 # m 5 210350.0*2e 8 373
29 CYSS
HN 29 CYSS HA 5.10 # 2 133800.0 e 8 120
HN 29 CYSS HB2 3.60 # 2 1132000.0 e 8 25
HN 29 CYSS HB3 3.60 # 2 1086000.0 e 8 24
HA 29 CYSS HB2 4.30 ># 2 367800.0 e 622-D2O 7
HA 29 CYSS HB3 3.40 <# 2 1609200.1 e 622-D2O 8
HA 30 GLN HN 4.20 # 2 447700.0 e 8 121
HA 34 CYSS HA 4.10 # 4 176880.0 e 622-D2O 12
HA 34 CYSS HB2 3.70 # 5 1083960.0 e 622-D2O 38
HA 34 CYSS HB3 6.00 # w 5 0.0 e 622-D2O 37
HB2 30 GLN HA 5.70 # 2 69984.0 e 622-D2O 27
HB3 30 GLN HN 5.50 # 2 87900.0 e 8 122
30 GLN
HN 30 GLN HB2 4.00 # 2 631600.0 e 8 13
HN 30 GLN HB3 3.90 # 2 655000.0 e 8 14
HN 30 GLN QG 6.60 # m 1 16885.0*2e 8 12
HN 31 ASN HN 4.80 # 2 199000.0 e 8 565
HN 32 ASN HN 5.00 # 3 62640.0 e 8 564
HN 33 GLN HN 3.20 # 3 951600.0 e 8 300
HN 34 CYSS HA 4.30 # 3 156400.0 e 8 381
HA 30 GLN HB2 4.00 # 2 594240.0 e 622-D2O 29
HA 30 GLN HB3 3.90 # 2 647040.0 e 622-D2O 30
HA 30 GLN QG 4.60 # i 1 138600.0*2e 622-D2O 28
HA 31 ASN HN 5.40 # 2 96560.0 e 8 126
HB2 30 GLN QG 4.00 # m 1 794000.0*2e 8 117
HB3 30 GLN QG 4.00 # m 1 760000.0*2e 8 118
HB3 31 ASN HN 6.00 # w 2 24180.0 e 8 494
HB3 31 ASN HB2 3.80 # 5 811200.0 e 8 486
HB3 34 CYSS HA 4.20 # 3 207400.0 e 8 382
QG 31 ASN HN 6.40 # m 5 99150.0*2e 8 119
QG 31 ASN HB2 4.80 # m 5 900500.0*2e 8 115
QG 31 ASN HB3 5.20 # m 5 494950.0*2e 8 116
31 ASN
HN 31 ASN HA 3.10 # 2 2938000.0 e 8 2
HN 31 ASN HB2 5.10 # 2 129500.0 e 8 3
HN 31 ASN HB3 4.70 # 2 212800.0 e 8 4
HN 32 ASN HN 4.00 # 2 871400.0 e 8 297
HA 31 ASN HB2 3.20 # 2 2211000.0 e 8 113
HA 31 ASN HB3 3.60 # 2 1092000.0 e 8 114
HA 32 ASN HN 3.60 # 2 1390000.0 e 8 378
HB2 32 ASN HN 4.50 <# 2 285500.0 e 8 380
HB3 32 ASN HN 5.30 ># 2 107700.0 e 8 379
HB3 33 GLN HN 4.90 # 3 69540.0 e 8 385
32 ASN
HN 32 ASN HA 3.10 # 2 2665000.0 e 8 29
HN 32 ASN HB2 4.30 # 2 388200.0 e 8 30
HN 32 ASN HB3 4.30 # 2 379600.0 e 8 31
HN 32 ASN HD22 4.80 # 1 43680.0 e 8 530
HN 33 GLN HN 3.60 # 2 1036000.0 e 8 317
HA 32 ASN HB2 3.10 # 2 2611200.0 e 622-D2O 35
HA 32 ASN HB3 3.50 # 2 1422000.0 e 622-D2O 36
HA 32 ASN HD21 3.40 # 1 359800.0 e 8 442
HA 32 ASN HD22 3.60 # 1 260100.0 e 8 445
HA 33 GLN HN 4.30 # 2 409400.0 e 8 383
HB2 32 ASN HD21 3.30 # 1 454400.0 e 8 440
HB2 32 ASN HD22 3.40 # 1 391300.0 e 8 446
HB2 33 GLN HN 5.30 # 2 107800.0 e 8 384
HB3 32 ASN HD21 4.10 # 1 116500.0 e 8 441
HB3 32 ASN HD22 4.50 # 1 62430.0 e 8 447
33 GLN
HN 33 GLN HA 4.10 # 2 492200.0 e 8 85
HN 33 GLN HB2 4.00 # 2 633100.0 e 8 82
HN 33 GLN HB3 3.70 # 2 928900.0 e 8 84
HN 33 GLN QG 4.80 # m 1 176900.0*2e 8 81
HN 34 CYSS HN 5.10 # 2 131300.0 e 8 515
HA 33 GLN HB2 3.70 # 2 916200.1 e 622-D2O 32
HA 33 GLN HB3 3.60 # 2 1037160.1 e 622-D2O 33
HA 33 GLN QG 3.80 # i 1 500340.0*2e 622-D2O 31
HA 34 CYSS HN 3.50 # 2 1393000.0 e 8 391
HB2 33 GLN QG 4.20 # m 1 554500.0*2e 8 389
HB2 34 CYSS HN 4.30 # 2 369100.0 e 8 393
HB3 33 GLN QG 4.20 # m 1 561000.0*2e 8 390
HB3 34 CYSS HN 4.80 # 2 191700.0 e 8 394
QG 33 GLN HE21 4.70 # m 1 215550.0*2e 8 453
QG 33 GLN HE22 4.80 # m 1 171700.0*2e 8 452
QG 34 CYSS HN 5.70 # m 5 236900.0*2e 8 392
34 CYSS
HN 34 CYSS HA 4.10 # 2 548400.0 e 8 139
HN 34 CYSS HB2 3.60 # 2 1131000.0 e 8 399
HN 34 CYSS HB3 3.30 # 2 1932000.0 e 8 400
HA 34 CYSS HB2 3.50 # 2 1388000.0 e 8 404
HA 34 CYSS HB3 3.80 # 2 863700.0 e 8 403
HA 35 ARG HN 3.20 # 2 2152000.0 e 8 397
HB2 35 ARG HN 4.30 # 2 392200.0 e 8 401
HB3 35 ARG HN 4.60 # 2 267500.0 e 8 402
35 ARG
HN 35 ARG HB2 3.80 # 2 773600.0 e 8 8
HN 35 ARG HB3 4.30 # 2 395100.0 e 8 9
HN 35 ARG HG2 5.20 ># 1 27630.0 e 8 540
HN 35 ARG HG3 3.90 <# 1 154600.0 e 8 10
HN 35 ARG QD 6.60 # m 1 16415.0*2e 8 7
HB2 35 ARG HE 3.70 <# 1 207200.0 e 8 524
HB2 36 CYSS HN 4.90 # 2 177600.0 e 8 405
HB3 35 ARG HE 4.50 ># 1 63550.0 e 8 525
HG2 35 ARG HE 3.40 # 1 336700.0 e 8 526
HG3 35 ARG HE 3.10 # 1 588400.0 e 8 527
HG3 36 CYSS HN 4.70 # 5 224100.0 e 8 406
QD 35 ARG HE 3.90 # m 1 879000.0*2e 8 523
36 CYSS
HN 36 CYSS HA 4.10 # 2 487600.0 e 8 137
HN 36 CYSS HB2 4.00 ># 2 594500.0 e 8 136
HN 36 CYSS HB3 3.40 <# 2 1697000.0 e 8 135
HN 37 TYR HN 4.90 # 2 165800.0 e 8 511
HA 36 CYSS HB2 3.10 # 2 2685600.0 e 622-D2O 2
HA 36 CYSS HB3 3.50 # 2 1390800.0 e 622-D2O 3
HA 37 TYR HN 3.20 # 2 2280000.0 e 8 412
HA 37 TYR HB2 5.30 # 2 106300.0 e 8 548
HB2 37 TYR HN 4.00 # 2 618500.0 e 8 413
HB3 37 TYR HN 4.50 # 2 298600.0 e 8 414
37 TYR
HN 37 TYR HA 4.80 # 2 193500.0 e 8 142
HN 37 TYR HB2 4.20 # 2 440900.0 e 8 141
HN 37 TYR HB3 3.90 # 2 707400.0 e 8 140
HN 37 TYR QD 5.70 # r 1 223450.0*2e 8 470
HA 37 TYR HB2 3.70 # 2 971600.0 e 8 488
HA 37 TYR HB3 3.90 # 2 659200.0 e 8 487
HA 37 TYR QD 5.20 # m 1 93000.0*2e 8 469
HB2 37 TYR QD 5.00 # r 1 779000.0*2e 8 457
HB2 37 TYR QE 6.30 # r 1 88000.0*2e 8 460
HB3 37 TYR QD 4.90 # r 1 959000.0*2e 8 458
HB3 37 TYR QE 6.70 # r 1 47835.0*2e 8 459
QD 37 TYR QE 6.70 # rr 1 1410750.0*4e 8 474
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