Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
563756 | 2m9f RC | 19292 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# SEA004 5-residue-turn with GlcNAc # intra-residue distance restraints # HA/H # 5 GLY HA2 5 GLY H 3.00 # 469 0.4507 # 5 GLY HA3 5 GLY H 3.11 # 470 0.3603 # 6 TRP HA 6 TRP H 2.71 # 472 0.8574 # 7 GLU HA 7 GLU H 3.31 # 473 0.2385 # 8 LYS HA 8 LYS H 3.24 # 474 0.2759 # 9 ARG HA 9 ARG H 2.41 # 475 1.7478 only 004 # 11 PHE HA 11 PHE H 3.30 # 477 0.2459 only 004 # 12 ALA HA 12 ALA H 3.84 # 299 0.0816 # 13 ASN HA 13 ASN H 3.43 # 479 0.1876 # 14 GLY HA2 14 GLY H 2.70 # 480 0.8850 only 004 # 14 GLY HA3 14 GLY H 2.76 # 481 0.7586 # 17 TYR HA 17 TYR H 3.33 # 483 0.2308 # 19 PHE HA 19 PHE H 3.38 # 305 0.2067 # 21 HIS HA 21 HIS H 2.91 # 484 0.5490 # 22 ILE HA 22 ILE H 3.11 # 486 0.3633 only 004 # 23 THR HA 23 THR H 2.83 # 488 0.6633 # 25 ALA HA 25 ALA H 2.92 # 490 0.5348 # 26 SER HA 26 SER H 3.35 # 491 0.2183 # 27 GLN HA 27 GLN H 3.32 # 492 0.2364 # 28 PHE HA 28 PHE H 3.07 # 493 0.3888 003 slight ol # 29 GLU HA 29 GLU H 3.15 # 495 0.3288 only 004 # 30 ARG HA 30 ARG H 3.18 # 497 0.3086 # HB/H 6 TRP HB2 6 TRP H 3.50 # 412,414 0.8515 6 TRP HB3 6 TRP H 3.50 # 413,415 1.0064 7 GLU HB2 7 GLU H 4.50 # 416,417 0.2787 8 LYS HB2 8 LYS H 4.00 # 418,420 0.4333 8 LYS HB3 8 LYS H 3.50 # 419,421 0.5737 9 ARG QB 9 ARG H 4.50 # 272 0.3325 2 protons 10 MET HB2 10 MET H 4.00 # 422,423 0.1852 11 PHE HB2 11 PHE H 4.00 # 106,288 0.5040 11 PHE HB3 11 PHE H 4.00 # 107,289 0.3146 12 ALA QB 12 ALA H 4.50 # 296 0.1797 13 ASN HB2 13 ASN H 4.50 # 426 0.0795 13 ASN HB3 13 ASN H 4.50 # 425,427 0.0959 15 THR HB 15 THR H 3.50 # 428 0.7475 only 004 16 VAL HB 16 VAL H 5.00 # 267 0.0402 19 PHE HB3 19 PHE H 4.00 # 85,301 0.4221 19 PHE HB2 19 PHE H 4.00 # 97,303 0.4139 20 ASN HB2 20 ASN H 4.00 # 429,431 0.4028 20 ASN HB3 20 ASN H 4.00 # 430,432 0.6459 22 ILE HB 22 ILE H 3.50 # 433,434 0.7748 26 SER HB2 26 SER H 4.00 # 435 0.2610 only 004 26 SER HB3 26 SER H 4.00 # 436 0.1793 only 004 27 GLN QB 27 GLN H 4.00 # 437 0.3967 2 protons 28 PHE HB2 28 PHE H 4.00 # 282 0.5810 28 PHE HB3 28 PHE H 4.00 # 283 0.3940 # HB/HA 2 LEU HB2 2 LEU HA 4.00 # 439 0.2353 2 LEU HB3 2 LEU HA 4.00 # 440 0.4080 6 TRP HB2 6 TRP HA 4.00 # 441 0.3275 6 TRP HB3 6 TRP HA 4.00 # 442 0.2678 7 GLU HB2 7 GLU HA 3.50 # 443 0.8812 8 LYS HB2 8 LYS HA 4.00 # 444 0.3548 8 LYS HB3 8 LYS HA 4.00 # 445 0.2091 9 ARG QB 9 ARG HA 4.00 # 446 0.2819 2 protons 10 MET HB2 10 MET HA 4.00 # 447 0.2207 10 MET HB3 10 MET HA 4.00 # 448 0.2469 11 PHE HB2 11 PHE HA 4.50 # 449 0.1193 11 PHE HB3 11 PHE HA 4.00 # 450 0.4378 13 ASN HB2 13 ASN HA 3.50 # 98 0.8618 13 ASN HB3 13 ASN HA 3.50 # 99 0.9215 16 VAL HB 16 VAL HA 4.00 # 451 0.3300 17 TYR HB2 17 TYR HA 3.50 # 452 0.9688 17 TYR HB3 17 TYR HA 4.00 # 453 0.2971 18 TYR HB2 18 TYR HA 4.00 # 454 0.3584 18 TYR HB3 18 TYR HA 3.50 # 455 0.5801 19 PHE HB3 19 PHE HA 4.00 # 84 0.3608 19 PHE HB2 19 PHE HA 4.00 # 438 0.4139 20 ASN HB2 20 ASN HA 4.00 # 456 0.1916 20 ASN HB3 20 ASN HA 4.00 # 457 0.2668 21 HIS HB2 21 HIS HA 3.50 # 459 0.8348 22 ILE HB 22 ILE HA 4.00 # 460 0.3853 24 ASN HB2 24 ASN HA 3.50 # 461 0.5463 26 SER QB 26 SER HA 4.00 # 121 0.4577 2 protons 26 SER HB3 26 SER HA 4.00 # 125 0.4641 only 004 27 GLN QB 27 GLN HA 3.50 # 463 0.7896 2 protons 28 PHE HB2 28 PHE HA 3.50 # 464 0.6204 only 004 28 PHE HB3 28 PHE HA 3.50 # 465 0.6506 29 GLU HB2 29 GLU HA 3.50 # 466 0.6767 29 GLU HB3 29 GLU HA 3.50 # 467 0.6454 30 ARG QB 30 ARG HA 4.00 # 468 0.4559 2 protons # others 9 ARG HG2 9 ARG H 4.50 # 276 0.3268 9 ARG HG3 9 ARG H 4.50 # 277 0.0553 11 PHE QD 11 PHE H 4.00 # 220,294 0.3527 only 004 11 PHE QD 11 PHE HA 3.50 # 214 0.8018 only 004 34 0YB H3 34 0YB CME 5.00 # 74,109 0.1313 34 0YB H2 34 0YB CME 5.00 # 75 0.1549 34 0YB H2N 34 0YB CME 4.50 # 77,238 1.0829 34 0YB H5 34 0YB H61 3.50 # 78,86 0.8953 34 0YB H5 34 0YB H62 3.50 # 79,102 1.3899 34 0YB H5 34 0YB H2N 4.80 # 83,239 0.1044 34 0YB H4 34 0YB H61 4.50 # 87,114 0.1238 34 0YB H3 34 0YB H2N 3.50 # 112,240 0.4851 34 0YB H4 34 0YB H2N 4.80 # 115,241 0.1175 34 0YB H2 34 0YB H2N 4.00 # 118,242 0.3040 34 0YB H2 13 ASN HD21 4.00 # 119 0.2135 15 THR QG2 15 THR H 5.00 # 244 0.1440 16 VAL QG1 16 VAL H 5.00 # 262 0.1777 16 VAL QG2 16 VAL H 4.50 # 263 0.6635 17 TYR QD 17 TYR H 4.00 # 169,269 0.4026 17 TYR QE 17 TYR H 5.00 # 152,270 0.0611 very weak 17 TYR HB2 17 TYR QD 4.00 # 89 0.8733 17 TYR HB3 17 TYR QD 3.50 # 90 0.9231 18 TYR QD 18 TYR H 4.00 # 381 0.4321 18 TYR QE 18 TYR H 5.00 # 380 0.1896 18 TYR QD 18 TYR HA 3.50 # 375 0.5235 18 TYR QE 18 TYR HA 5.60 # 374 0.2061 19 PHE QD 19 PHE H 5.00 # 190,309 0.1910 28 PHE HB2 28 PHE QD 4.00 # 100,227 0.4884 28 PHE HB3 28 PHE QD 4.00 # 101,228 0.4255 28 PHE QD 28 PHE H 4.00 # 232,284 0.2235 28 PHE QE 28 PHE HA 5.00 # 198 0.4711 003 very weak 28 PHE HB2 28 PHE QE 5.00 # 201 0.1659 only 004 28 PHE HB3 28 PHE QE 5.00 # 202 0.1011 only 004 # sequential distance restraints # H/H: values of both cross peaks were mediated (in some cases not due to phasing problems) 6 TRP H 7 GLU H 5.00 # 13,14 0.3939 calibration peak 7 GLU H 8 LYS H 4.50 # 15,16 0.0572 calibration peak 8 LYS H 9 ARG H 5.00 # 17,18 0.0950 calibration peak 9 ARG H 10 MET H 5.00 # 19,20 0.0620 calibration peak 13 ASN H 14 GLY H 4.50 # 236,260 0.1476 14 GLY H 15 THR H 4.00 # 249,261 0.4372 15 THR H 16 VAL H 5.00 # 271 0.0554 17 TYR H 18 TYR H 5.00 # 21,22 0.0636 calibration peak 19 PHE H 20 ASN H 5.00 # 25,26 0.0513 calibration peak 25 ALA H 26 SER H 5.00 # 27,28 0.0891 calibration peak, very weak 27 GLN H 28 PHE H 5.00 # 29,30 0.0614 only 004 28 PHE H 29 GLU H 4.00 # 285 0.5643 # HA/H 5 GLY HA3 6 TRP H 4.00 # 471 0.1697 6 TRP HA 7 GLU H 3.00 # 1 1.1636 calibration peak 7 GLU HA 8 LYS H 3.00 # 2 1.6167 calibration peak 8 LYS HA 9 ARG H 3.00 # 3 1.3967 calibration peak, 004 slight ol 9 ARG HA 10 MET H 3.00 # 4 1.3160 calibration peak 10 MET HA 11 PHE H 3.00 # 476 1.1455 11 PHE HA 12 ALA H 4.00 # 478 0.3094 only 004 12 ALA HA 13 ASN H 4.50 # 235 0.0630 only 004 13 ASN HA 14 GLY H 4.00 # 259 0.3415 14 GLY HA2 15 THR H 4.00 # 130 0.1696 15 THR HA 16 VAL H 3.00 # 132 1.5592 16 VAL HA 17 TYR H 3.00 # 5 1.2017 calibration peak, 004 slight ol 17 TYR HA 18 TYR H 3.00 # 6 0.7504 calibration peak ol? 18 TYR HA 19 PHE H 3.00 # 7 1.2207 calibration peak 19 PHE HA 20 ASN H 3.00 # 8 1.1502 calibration peak 21 HIS HA 22 ILE H 4.00 # 485 0.2385 22 ILE HA 23 THR H 4.00 # 487 0.1465 24 ASN HA 25 ALA H 4.00 # 489 0.4943 only 004 25 ALA HA 26 SER H 3.00 # 9 1.9827 calibration peak 26 SER HA 27 GLN H 3.00 # 10,11 1.0665 calibration peak 27 GLN HA 28 PHE H 3.00 # 12 1.0996 calibration peak, near H2O line 28 PHE HA 29 GLU H 4.00 # 494 0.1016 29 GLU HA 30 ARG H 3.00 # 496 1.5754 31 PRO HA 32 SER H 3.00 # 500 1.3426 32 SER HA 33 GLY H 3.50 # 501 0.8160 # HA/HA # -- # HB/H 9 ARG QB 10 MET H 5.00 # 53,251 0.2811 2 protons 10 MET HB2 11 PHE H 4.50 # 70,286 0.1034 10 MET HB3 11 PHE H 4.50 # 71,287 0.0951 11 PHE HB2 12 ALA H 4.50 # 297 0.0402 11 PHE HB3 12 ALA H 4.50 # 298 0.0663 12 ALA QB 13 ASN H 5.00 # 61,233 0.1361 13 ASN HB2 14 GLY H 4.50 # 256 0.0436 only 004 13 ASN HB3 14 GLY H 5.00 # 257 0.0391 15 THR HB 16 VAL H 4.50 # 133 0.1294 16 VAL HB 17 TYR H 4.50 # 268 0.2071 18 TYR HB2 19 PHE H 4.50 # 302 0.1289 19 PHE HB2 20 ASN H 4.50 # 96 0.1045 26 SER QB 27 GLN H 4.00 # 128,310 0.1964 003 2 protons 26 SER HB3 27 GLN H 4.50 # 129,311 0.2171 only 004 31 PRO HB3 32 SER H 4.00 # 329 0.1221 31 PRO HB2 32 SER H 4.00 # 330 0.1294 # HB/HA # 12 ALA QB 13 ASN HA 5.04 # 60 0.0522 # SC/SC # 2 LEU QD1 3 PRO HD2 5.12 # 333 0.0436 ol HE? # 2 LEU QD1 3 PRO HD3 5.26 # 334 0.0304 # 11 PHE HB3 12 ALA QB 4.89 # 117 0.0734 # 11 PHE QD 12 ALA QB 4.94 # 205 0.0654 only 004 # 16 VAL QG1 17 TYR QD 5.01 # 58,154 0.0565 # 16 VAL QG2 17 TYR QD 5.10 # 59,155 0.0457 # 21 HIS HD2 22 ILE QD1 4.52 # 195 0.1570 # 22 ILE QG2 23 THR HB 5.27 # 320 0.0293 # 30 ARG QB 31 PRO HD3 4.34 # 356 0.2241 # 30 ARG QB 31 PRO HD3 4.58 # 357 0.1379 # 30 ARG HG2 31 PRO HD3 3.60 # 352 0.1329 # 30 ARG HG2 31 PRO HD2 3.77 # 353 0.0931 # 30 ARG HG3 31 PRO HD3 3.28 # 354 0.2515 # 31 PRO HD3 30 ARG HA 2.41 # 498 1.7689 # 31 PRO HD2 30 ARG HA 2.56 # 499 1.2136 # others 8 LYS QG 9 ARG H 4.50 # 275 0.1999 2 protons 11 PHE QD 12 ALA H 5.00 # 221 0.0676 only 004 11 PHE QD 10 MET HA 5.00 # 216 0.0619 only 004 15 THR QG2 16 VAL H 5.00 # 65,266 0.3668 # 16 VAL QG1 15 THR HA 6.00 # 54 0.0513 16 VAL QG2 15 THR HA 5.00 # 55 0.3644 16 VAL QG1 17 TYR H 5.00 # 264 0.4349 16 VAL QG2 17 TYR H 4.50 # 265 0.2478 17 TYR QD 16 VAL HA 4.00 # 161 0.2441 17 TYR QD 18 TYR HA 4.50 # 163 0.0694 18 TYR QD 19 PHE H 5.00 # 308 0.1305 21 HIS HD2 22 ILE H 4.50 # 197 0.0834 21 HIS HD2 22 ILE HA 4.50 # 196 0.0705 22 ILE QG2 23 THR HA 5.00 # 319 0.1798 27 GLN QG 28 PHE H 5.00 # 280 0.4615 only 004, 2 protons 28 PHE QD 29 GLU H 5.40 # 230,254 0.0518 31 PRO HG2 32 SER H 5.00 # 318 0.0302 # long-range distances on turn side # BB/BB # 11 PHE H 13 ASN HA 6.00 # 291 0.2707 11 PHE H 17 TYR H 5.40 # 295 0.0795 only 004 12 ALA HA 14 GLY H 4.50 # 258 0.0638 19 PHE HA 26 SER HA 4.00 # 31,32 0.5673 calibration peak # SC/BB 7 GLU HB2 19 PHE H 5.40 # 300 0.0692 9 ARG H 16 VAL QG1 5.00 # 273 0.1218 9 ARG H 16 VAL QG2 5.60 # 274 0.1525 slight ol 9 ARG H 17 TYR QD 5.00 # 170 0.0506 9 ARG H 18 TYR QD 5.00 # 278 0.0944 9 ARG H 18 TYR QE 5.40 # 279 0.0456 10 MET HA 16 VAL QG1 5.60 # 56 0.0743 10 MET HA 16 VAL QG2 5.00 # 57 0.1023 10 MET HA 17 TYR QD 4.00 # 162 0.2871 003 ol 10 MET H 17 TYR QE 4.50 # 150 0.0911 10 MET HA 17 TYR QE 4.00 # 146 0.1416 only 004 11 PHE H 15 THR HB 5.00 # 290 0.0816 11 PHE H 17 TYR QD 4.50 # 172,293 0.2639 003 ol 11 PHE H 17 TYR QE 4.00 # 151,292 0.1409 11 PHE HA 34 0YB H3 6.00 # 110 0.1241 11 PHE HA 17 TYR QE 4.00 # 145 0.2829 only 004 11 PHE HB3 13 ASN H 4.50 # 234 0.0911 only 004 11 PHE HB3 15 THR H 4.50 # 116,245 0.0735 11 PHE QD 15 THR HA 5.00 # 212 0.0780 only 004 12 ALA QB 14 GLY H 5.60 # 255 0.0558 15 THR H 17 TYR QE 6.00 # 247 0.0715 only 004 17 TYR QD 18 TYR H 4.00 # 171 0.4665 003 ol 17 TYR QD 19 PHE HA 4.50 # 164 0.0783 17 TYR QD 26 SER HA 4.00 # 165 0.1436 17 TYR QD 27 GLN H 4.00 # 173,312 0.1727 17 TYR QE 19 PHE H 5.50 # 307 0.0469 17 TYR QE 19 PHE HA 4.50 # 134,135 0.1109 only 004 19 PHE HA 26 SER HB2 4.50 # 126 0.0859 only 004 19 PHE HA 26 SER HB3 4.50 # 127 0.1009 only 004 19 PHE HB2 26 SER HA 4.50 # 95 0.0953 19 PHE HZ 24 ASN H 4.50 # 204 0.2778 # SC/SC 9 ARG QB 17 TYR QD 5.00 # 153 0.0994 2 protons 9 ARG QB 17 TYR QE 5.00 # 52,136 0.1929 2 protons, 004 stronger 9 ARG QB 19 PHE QD 6.00 # 179 0.0863 2 protons 9 ARG HG2 17 TYR QD 4.50 # 156 0.1243 9 ARG HG2 17 TYR QE 4.00 # 137 0.3852 only 004 9 ARG HG3 17 TYR QE 4.00 # 138 0.0894 only 004 9 ARG HG2 19 PHE QD 5.00 # 178 0.0505 9 ARG HD2 17 TYR QE 5.00 # 93,141 0.1183 only 004 9 ARG HD3 17 TYR QE 5.60 # 142 0.1278 only 004 11 PHE QD 34 0YB H3 5.00 # 111,211 0.0633 11 PHE QD 17 TYR QD 4.00 # 166,218 0.2863 11 PHE HB2 15 THR HB 4.00 # 104 0.1967 11 PHE HB3 15 THR HB 4.00 # 105 0.1956 11 PHE QD 34 0YB H1 4.00 # 215 0.3949 11 PHE QD 34 0YB H5 4.00 # 82,207 0.2666 11 PHE QD 34 0YB H61 4.00 # 88,208 0.1513 11 PHE QD 34 0YB H62 4.50 # 103,210 0.1363 slight ol 11 PHE QD 15 THR HB 3.50 # 213 0.8367 only 004 11 PHE QD 15 THR QG2 5.00 # 68,208 0.2889 only 004 11 PHE QD 17 TYR HB3 4.50 # 209 0.0844 only 004 11 PHE QD 17 TYR QE 4.00 # 149,217 0.1437 only 004 11 PHE QD 28 PHE QE 4.00 # 219 0.1697 only 004 11 PHE QE 34 0YB H5 4.00 # 81,192 0.1938 only 004 11 PHE QE 15 THR HB 5.00 # 193 0.0660 only 004 11 PHE QE 15 THR QG2 5.00 # 191 0.1318 only 004 11 PHE QE 17 TYR QE 5.00 # 194 0.0745 only 004 11 PHE QE 28 PHE QD 5.60 # 231 0.0567 only 004 11 PHE HZ 34 0YB H5 4.50 # 174 0.0551 only 004 11 PHE HZ 34 0YB H61 5.20 # 175 0.0704 only 004 11 PHE HZ 34 0YB H62 4.50 # 176 0.0492 only 004 11 PHE HZ 28 PHE QE 5.00 # 177,203 0.0875 only 004 11 PHE HZ 28 PHE HZ 5.00 # 223 0.0417 only 004 34 0YB H2N 15 THR HB 4.50 # 243 0.0979 34 0YB H2N 15 THR QG2 5.00 # 69,237 0.1244 34 0YB CME 15 THR HB 5.60 # 76 0.0378 34 0YB CME 15 THR QG2 5.60 # 72,73 0.2902 34 0YB H3 15 THR QG2 5.00 # 66,108 0.1526 34 0YB H4 15 THR QG2 6.00 # 113 0.0648 34 0YB H5 15 THR HB 4.50 # 80 0.1330 15 THR QG2 17 TYR QD 5.60 # 67,157 0.0612 15 THR QG2 28 PHE QD 5.00 # 64,224 0.2566 15 THR QG2 28 PHE QE 5.00 # 63,199 0.3259 15 THR QG2 28 PHE HZ 5.60 # 62,222 0.0809 17 TYR HB2 28 PHE QD 4.00 # 91,225 0.1436 17 TYR HB3 28 PHE QD 4.00 # 92,226 0.2326 only 004 17 TYR HB3 28 PHE QE 4.00 # 200 0.1334 17 TYR QD 19 PHE HB3 5.60 # 158 0.0892 17 TYR QD 26 SER QB 4.00 # 122,159 0.2305 003 2 protons 17 TYR QD 26 SER HB3 4.00 # 124,160 0.2804 only 004 17 TYR QD 28 PHE QD 5.40 # 168,229 0.0591 only 004 17 TYR QD 28 PHE QE 4.50 # 167 0.0853 only 004 17 TYR QE 19 PHE QD 4.00 # 147,188 0.3808 17 TYR QE 19 PHE QE 5.40 # 148,189 0.0608 only 004 17 TYR QE 19 PHE HB3 4.50 # 139 0.4968 only 004 17 TYR QE 19 PHE HB2 4.00 # 94,140 0.5111 004 stronger 17 TYR QE 26 SER QB 4.50 # 120,143 0.0856 003 2 protons 17 TYR QE 26 SER HB3 4.00 # 123,144 0.1072 only 004 19 PHE QD 21 HIS HB3 4.00 # 180 0.3979 19 PHE QD 21 HIS HB2 4.50 # 181 0.1138 19 PHE QD 26 SER HB2 4.00 # 184 0.1433 only 004 19 PHE QD 26 SER HB3 4.00 # 185 0.3011 only 004 19 PHE QE 21 HIS HB3 4.00 # 182 0.5780 19 PHE QE 21 HIS HB2 4.00 # 183 0.2606 19 PHE QE 26 SER HB2 6.00 # 186 0.0576 only 004 19 PHE QE 26 SER HB3 4.50 # 187 0.0901 only 004 # long-range distances on beta sheet side # BB/BB 7 GLU H 19 PHE H 4.00 # 40,41 0.2841 calibration peak 7 GLU H 20 ASN HA 4.00 # 33 0.2583 calibration peak 8 LYS HA 19 PHE H 4.50 # 36 0.1199 calibration peak 9 ARG H 17 TYR H 4.00 # 42,43 0.1696 calibration peak 9 ARG H 18 TYR HA 4.00 # 35 0.2495 calibration peak 9 ARG H 19 PHE H 4.50 # 44,45 0.0568 calibration peak 18 TYR H 27 GLN H 4.00 # 46,47 0.2037 calibration peak, 003 slight ol 19 PHE HA 27 GLN H 4.00 # 39 0.1308 calibration peak 20 ASN H 26 SER HA 4.00 # 37,38 0.2075 calibration peak # SC/BB # 4 PRO HA 22 ILE QD1 6.00 # 323 0.0343 5 GLY H 22 ILE QD1 5.60 # 331 0.0127 004 vw 5 GLY HA2 22 ILE QD1 5.00 # 321 0.2311 5 GLY HA3 22 ILE QD1 5.00 # 322 0.2852 6 TRP H 2 LEU QD1 6.00 # 341 0.0781 # 6 TRP HA 2 LEU QD2 5.60 # 337 0.0806 only 004 6 TRP HA 2 LEU QD1 6.00 # 338 0.0820 # 7 GLU H 2 LEU QD1 6.00 # 342 0.0764 # 7 GLU HA 2 LEU QD2 5.00 # 335 0.1575 7 GLU HA 2 LEU QD1 6.00 # 336 0.5095 8 LYS H 18 TYR QD 4.50 # 379 0.0687 # 8 LYS H 18 TYR QE 4.50 # 378 0.1173 # 19 PHE H 6 TRP HE3 4.00 # 405 0.2234 # 19 PHE HA 6 TRP HE3 4.50 # 403 0.0726 # 20 ASN H 6 TRP HE3 4.00 # 404 0.2516 20 ASN H 25 ALA QB 5.60 # 348 0.0777 25 ALA H 20 ASN HB2 4.00 # 382 0.2332 25 ALA H 20 ASN HB3 4.00 # 383 0.4822 # 27 GLN H 6 TRP HH2 4.50 # 393 0.0801 30 ARG H 18 TYR QD 5.60 # 377 0.0391 # SC/SC 2 LEU HG 18 TYR QE 5.60 # 369 0.2079 2 LEU QD2 18 TYR QD 5.00 # 325,363 0.4965 2 LEU QD2 18 TYR QE 5.50 # 324,362 0.8334 2 LEU QD1 6 TRP HB3 5.00 # 332 0.1586 2 LEU QD1 18 TYR QD 4.50 # 340 0.5219 2 LEU QD1 18 TYR QE 5.60 # 339 0.4457 # 3 PRO HB2 6 TRP HD1 4.00 # 389 0.3532 # 3 PRO HG3 6 TRP HD1 4.80 # 350,388 0.1755 # 3 PRO HG2 6 TRP HD1 4.00 # 351 0.5777 # 3 PRO HD3 31 PRO HG2 6.00 # 317 0.0876 # 4 PRO HD2 6 TRP HD1 5.40 # 390 0.0618 # 4 PRO HD3 6 TRP HD1 6.00 # 391 0.0446 # 6 TRP HE1 3 PRO HB2 5.60 # 408 0.0338 # 6 TRP HE1 3 PRO HB3 5.00 # 411 0.0358 # 6 TRP HE1 3 PRO HG3 5.00 # 409 0.0484 # 6 TRP HE1 31 PRO HB3 5.60 # 406 0.0315 # 6 TRP HE1 31 PRO HB2 5.60 # 407 0.0641 # 6 TRP HD1 31 PRO HB2 5.00 # 326 0.0700 # 6 TRP HD1 31 PRO HG3 5.00 # 315 0.0614 # 6 TRP HE3 18 TYR QD 4.50 # 376 0.2013 # 6 TRP HE3 31 PRO HG3 4.50 # 316,395 0.1188 # 6 TRP HE3 31 PRO HG2 5.60 # 397 0.0347 # 6 TRP HE3 31 PRO HD3 5.40 # 402 0.1257 # 6 TRP HZ3 25 ALA QB 5.60 # 345,387 0.1086 # 6 TRP HH2 20 ASN HB2 4.50 # 384 0.0984 # 6 TRP HH2 20 ASN HB3 6.00 # 385 0.0809 # 6 TRP HH2 25 ALA QB 5.00 # 346,386 0.3081 # 6 TRP HZ2 25 ALA QB 5.00 # 401 0.1083 # 6 TRP HZ2 20 ASN HB2 4.50 # 394 0.1285 # 6 TRP HZ2 25 ALA QB 6.00 # 347 0.0584 # 6 TRP HZ2 31 PRO HB3 5.60 # 327,399 0.1495 # 6 TRP HZ2 31 PRO HB2 6.00 # 328,400 0.1125 # 6 TRP HZ2 31 PRO HG3 6.00 # 396 0.0902 # 6 TRP HZ2 31 PRO HG2 6.00 # 398 0.0391 18 TYR QD 30 ARG QB 5.00 # 368 0.1561 2 protons 18 TYR QE 30 ARG QB 5.00 # 367 0.3067 2 protons 18 TYR QE 30 ARG HG3 4.50 # 366 0.0790 18 TYR QD 31 PRO HG3 5.00 # 314,360 0.0456 18 TYR QD 31 PRO HG2 5.40 # 361 0.0251 18 TYR QE 31 PRO HG3 6.00 # 313 0.0492 18 TYR QD 31 PRO HD3 4.00 # 359,371 0.2232 18 TYR QE 31 PRO HD3 4.50 # 358,370 0.1610 20 ASN HB2 25 ALA QB 5.00 # 343 0.1968 23 THR HB 25 ALA QB 5.00 # 392 0.1719 23 THR HG1 25 ALA QB 5.00 # 344 0.3017 yes it is the OH