NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
280997 | 1new | 4744 | cing | 1-original | 2 | DYANA/DIANA | distance | NOE | simple |
Table II. Experimental NOESY cross peak intensities (last column) and corresponding upper distance limits (5th column). Heme I, III, and IV are called HEM 69, 70, 71, respectively. residue atom residue atom distance cross peak intensity 1 ALA HA 1 ALA QB 4 11732 HA 3 VAL HN 7.2 396 QB 2 ASP- HN 6 1027.2 QB 3 VAL HN 3.6 6158 2 ASP- HN 2 ASP- HA 6.3 390.2 HN 2 ASP- HB2 6.3 407.8 HN 2 ASP- HB3 5.9 583.6 HN 3 VAL HN 6.2 444.8 HA 2 ASP- HB2 3.7 10786 HA 2 ASP- HB3 4 6226 HA 3 VAL HN 4.4 3510 HA 3 VAL QG2 8 368.4 HA 17 HIS HN 4.6 3321 HA 17 HIS HB2 3.6 17290 HA 17 HIS HB3 4.3 6536 HA 18 LYS+ HN 3.2 30400 HA 18 LYS+ HA 4.2 5994 HA 18 LYS+ HB2 4.1 9080 HA 18 LYS+ HB3 4.7 4308 HA 18 LYS+ HG3 6.3 964.6 HA 18 LYS+ QD 8.2 519.1 HA 18 LYS+ QE 7.7 736.5 HB2 3 VAL HN 4.4 3594 HB2 18 LYS+ HB3 6.1 1194.2 HB2 18 LYS+ QD 7.5 845.5 HB2 18 LYS+ QE 8.5 123.2 HB3 3 VAL HN 3.8 8268 HB3 3 VAL QG2 7 1929 HB3 4 VAL HN 7.5 46.8 3 VAL HN 3 VAL HA 3.8 8728 HN 3 VAL HB 3.6 12818 HN 3 VAL QG1 7.3 2912 HN 3 VAL QG2 6.4 6996 HN 4 VAL HN 5.4 1054 HN 4 VAL QG2 7.8 1054.6 HN 16 ASP- HA 6.6 361.6 HN 17 HIS HN 6.5 401.8 HN 18 LYS+ HN 4.5 3968 HA 3 VAL HB 4.3 4162 HA 3 VAL QG1 4.9 32340 HA 3 VAL QG2 6.1 8898 HA 4 VAL HN 3.1 31340 HA 4 VAL HB 6 537.4 HA 4 VAL QG2 8 782.6 HA 16 ASP- HA 3.3 22680 HA 16 ASP- HB3 4.9 3444 HA 17 HIS HN 3.1 39260 HA 17 HIS HB3 4.7 4189 HB 3 VAL QG1 5.5 16440 HB 3 VAL QG2 5.3 21920 HB 4 VAL HN 5.9 582.2 HB 16 ASP- HA 7.5 309.6 QG1 4 VAL HN 5.6 7672 QG1 14 THR HB 7 1950 QG1 14 THR QG2 5.5 28160 QG1 15 PHE HN 6.6 2766 QG1 16 ASP- HA 6 5192 QG1 17 HIS HN 8 107 QG2 4 VAL HN 7.4 1459.4 QG2 14 THR QG2 6.8 6164 QG2 16 ASP- HA 4.5 28390 QG2 16 ASP- HB3 7.3 1542 QG2 17 HIS HN 6.7 2659 QG2 18 LYS+ HN 8 138.8 4 VAL HN 4 VAL HA 3.9 7880 HN 4 VAL HB 3.7 10354 HN 4 VAL QG1 6.8 4451 HN 4 VAL QG2 6.5 5990 HN 5 THR HN 5.3 1174.4 HN 15 PHE HN 5.2 1572.6 HN 15 PHE HB2 5.5 2056 HN 15 PHE HB3 6.7 750 HN 16 ASP- HA 4.2 5577 HN 17 HIS HN 4.6 3124 HN 17 HIS HB2 6.9 654 HN 17 HIS HB3 7.5 263 HN 18 LYS+ HN 6.1 598.6 HA 4 VAL HB 5.1 1424.8 HA 4 VAL QG1 5.6 15582 HA 4 VAL QG2 6 9732 HA 5 THR HN 3 35220 HA 5 THR HB 5.4 972.2 HB 4 VAL QG1 4.6 51580 HB 4 VAL QG2 4.9 32300 HB 5 THR HN 4.7 2386 HB 6 TYR CZ 9.5 338.1 HB 15 PHE HN 5.4 2216 HB 15 PHE HB2 4 9932 HB 15 PHE HB3 4.7 4468 HB 15 PHE CG 7.3 2345 HB 69 HEM HB63 5.9 1368.4 QG1 5 THR HN 5.1 13858 QG1 5 THR HA 7.5 1273 QG1 6 TYR HN 7.2 1715 QG1 6 TYR HB2 8 497.6 QG1 6 TYR CG 1 0 496.9 QG1 6 TYR CZ 9 2023 QG1 15 PHE HN 8 475.2 QG1 15 PHE HB2 7.4 1471 QG1 15 PHE CG 9.2 1724 QG1 15 PHE CZ 1 0 689.2 QG1 69 HEM HB63 6.4 3346 QG2 5 THR HN 6.5 2982 QG2 6 TYR CZ 1 0 80.7 QG2 15 PHE HN 8 267.8 QG2 15 PHE HB2 8 641.4 QG2 15 PHE CG 1 0 53.4 QG2 17 HIS HB3 5.6 8037 QG2 18 LYS+ HN 8 177.4 QG2 69 HEM HB63 5.8 6232 QG2 69 HEM HB64 5.8 6086 5 THR HN 5 THR HA 4 6330 HN 5 THR HB 3.6 11272 HN 5 THR QG2 7.1 3494 HN 6 TYR HN 5.5 951.2 HN 6 TYR CG 9.5 87 HN 14 THR HA 6.1 605.8 HN 15 PHE HN 7.2 223 HA 5 THR HB 5.6 795 HA 5 THR QG2 6 10182 HA 6 TYR HN 3 33880 HA 6 TYR HB2 6.3 406.8 HA 6 TYR HB3 5.1 1350.2 HA 6 TYR CG 7.7 1709 HA 13 VAL HN 5.9 741.8 HA 14 THR HN 4.8 2392 HA 14 THR HA 4.3 4824 HA 14 THR QG2 7.7 1120.6 HA 15 PHE HN 4.5 3970 HA 15 PHE HB2 7.2 526.2 HA 15 PHE CG 9.5 39.2 HB 5 THR QG2 5.8 12434 HB 6 TYR HN 5.6 793.8 QG2 6 TYR HN 5.6 7290 QG2 7 GLU- HN 7.5 1286.4 QG2 7 GLU- HG2 6.6 2810 QG2 7 GLU- HG3 6.8 2332 QG2 12 ASN HA 7.4 1470.4 QG2 12 ASN HB2 7 1965.4 QG2 12 ASN HB3 5.6 7782 QG2 12 ASN HD21 6.5 3048 QG2 12 ASN HD22 7.2 1675.6 QG2 13 VAL HN 7.2 1676 QG2 14 THR HA 6.7 2526 6 TYR HN 6 TYR HA 4.2 4892 HN 6 TYR HB2 3.8 8052 HN 6 TYR HB3 4.1 5106 HN 6 TYR CG 5.9 4856 HN 6 TYR CZ 6.8 428.9 HN 7 GLU- HN 5.3 1072.8 HN 12 ASN HA 5.2 1531.6 HN 13 VAL HN 3.8 10080 HN 13 VAL HA 6.7 329.2 HN 13 VAL QG1 5.9 5564 HN 13 VAL QG2 8 676.8 HN 14 THR HA 4.4 4048 HN 14 THR QG2 8 82.6 HN 15 PHE HN 4.8 2472 HA 6 TYR HB2 3.7 9720 HA 6 TYR HB3 4 5876 HA 6 TYR CG 4.8 6002 HA 7 GLU- HN 3.2 25100 HA 13 VAL HN 7.5 33.6 HA 13 VAL QG1 7.6 1213 HB2 6 TYR CG 5.5 8975 HB2 6 TYR CZ 7.1 933.8 HB2 7 GLU- HN 4.6 2588 HB2 8 ASN HD21 5.8 1496.6 HB2 12 ASN HA 7.5 311.4 HB2 12 ASN HB3 6.9 623 HB2 13 VAL HN 4.9 3434 HB2 13 VAL HA 7.5 420.6 HB2 13 VAL HB 6.7 734.6 HB2 13 VAL QG1 4.3 36220 HB2 39 ILE QG2 7.8 1052 HB2 71 HEM HA61 4.9 3698 HB2 71 HEM HA62 6.9 637.6 HB2 71 HEM HB63 4.8 4142 HB2 71 HEM HB64 5.3 2402 HB3 6 TYR CG 5.5 8666 HB3 6 TYR CZ 7.1 980.4 HB3 7 GLU- HN 4.9 1760.8 HB3 8 ASN HN 7.5 190.2 HB3 8 ASN HD21 5.8 1513 HB3 12 ASN HA 6.5 831.4 HB3 13 VAL HN 4.8 3798 HB3 13 VAL HA 7.3 465.2 HB3 13 VAL HB 7.5 355.2 HB3 71 HEM HA61 6 1314 HB3 71 HEM HA62 7 577.4 HB3 71 HEM HB63 5 3310 HB3 71 HEM HB64 5 3248 CG 6 TYR CZ 7.4 10835 CG 7 GLU- HN 8.2 1084 CG 7 GLU- HG2 9.5 426.8 CG 12 ASN HA 8.7 722.9 CG 13 VAL HN 8.9 630.5 CG 13 VAL HB 9.5 37.2 CG 13 VAL QG1 7.9 5754 CG 13 VAL QG2 8.5 3213 CG 15 PHE HN 8.4 916.8 CG 15 PHE HB2 9.5 258.3 CG 15 PHE HB3 8.5 846.7 CG 39 ILE HB 8.2 1112 CG 70 HEM QM1 1 0 231 CG 70 HEM QT2 1 0 72 CZ 13 VAL QG1 1 0 73.2 CZ 13 VAL QG2 1 0 261.2 CZ 15 PHE HB2 7.5 1920 CZ 15 PHE HB3 7 3217 CZ 39 ILE HN 9.5 306.6 CZ 39 ILE HB 6.4 5971 CZ 39 ILE QG2 8.9 2175.5 CZ 39 ILE HG12 8.5 866.2 CZ 39 ILE HG13 9.5 365.5 CZ 39 ILE QD1 1 0 549 CZ 70 HEM QM1 1 0 52.4 CZ 70 HEM QT2 9.7 1153 7 GLU- HN 7 GLU- HA 3.8 8400 HN 7 GLU- HB2 3.7 9708 HN 7 GLU- HB3 4 6218 HN 7 GLU- HG2 3.8 5884 HN 7 GLU- HG3 4.7 1636.4 HN 13 VAL HN 7.5 134.6 HA 7 GLU- HB2 5 1650.6 HA 7 GLU- HB3 4.2 4532 HA 7 GLU- HG2 4.4 2356 HA 7 GLU- HG3 4.4 2260 HA 8 ASN HN 3 33100 HA 8 ASN HD21 6.6 807.8 HA 12 ASN HA 4.1 6738 HA 12 ASN HD21 6.3 1030.8 HA 12 ASN HD22 6.7 715.8 HA 13 VAL HN 5.4 1227.4 HB2 7 GLU- HG2 3.2 15094 HB2 7 GLU- HG3 3.8 5642 HB2 8 ASN HN 4.4 3464 HB3 7 GLU- HG2 3.6 7570 HB3 8 ASN HN 4.3 4002 HG2 12 ASN HD22 7.5 286 HG3 12 ASN HD22 5.7 1654.8 8 ASN HN 8 ASN HA 3.9 7040 HN 8 ASN HB2 4.7 2472 HN 8 ASN HB3 4.6 2736 HN 8 ASN HD21 3.9 4572 HN 8 ASN HD22 5.1 991.8 HN 10 LYS+ HN 6.6 597.8 HN 11 GLY HN 6.2 855.2 HN 12 ASN HN 7.5 212.4 HN 12 ASN HA 3.7 11830 HN 13 VAL HN 5.6 998.2 HA 8 ASN HB2 3.5 15376 HA 8 ASN HB3 3.5 14218 HA 8 ASN HD21 4.9 1209.4 HA 9 LYS+ HN 3.3 19724 HA 9 LYS+ HB2 6.3 413.6 HA 9 LYS+ HB3 7.3 169 HA 10 LYS+ HN 7.3 385.2 HA 12 ASN HA 7.5 48.2 HA 71 HEM HB73 7.5 110.2 HA 71 HEM HB74 7 605.6 HB2 8 ASN HD21 3.6 7480 HB2 8 ASN HD22 5.7 490 HB2 9 LYS+ HN 3.9 6876 HB2 10 LYS+ HN 6.7 562.4 HB2 11 GLY HN 7.5 51.4 HB2 12 ASN HA 7.5 144.6 HB2 13 VAL HN 7.5 189.6 HB2 71 HEM HB73 5.5 1945.4 HB2 71 HEM HB74 4.5 5232 HB2 71 HEM HB63 6.2 1056.2 HB2 71 HEM HB64 5.8 1553.2 HB3 8 ASN HD21 4.1 3372 HB3 8 ASN HD22 7 136.4 HB3 9 LYS+ HN 3.6 12306 HB3 10 LYS+ HN 4.9 2744 HB3 11 GLY HN 7.5 0 HB3 71 HEM HA72 4.6 4792 HB3 71 HEM HB73 3.8 13690 HB3 71 HEM HB74 3.2 32770 HB3 71 HEM HA62 7.5 167.8 HB3 71 HEM HB63 7.3 487.2 HD21 10 LYS+ HB3 7.2 505.8 HD21 11 GLY HN 7.3 489 HD21 12 ASN HA 3.4 23580 HD21 13 VAL HN 5 3342 HD21 13 VAL HB 7.3 478 HD21 13 VAL QG1 8 907.4 HD21 71 HEM HB74 6 1231.2 HD21 71 HEM QM5 7.5 1324 HD21 71 HEM HB63 4.9 3729 HD22 12 ASN HA 4.6 4860 HD22 13 VAL HN 5.5 2064 HD22 13 VAL HB 7.5 51.4 HD22 71 HEM HB63 6.2 1103 HD22 71 HEM HB64 6.4 942 9 LYS+ HN 9 LYS+ HA 4.2 4902 HN 9 LYS+ HB2 3.9 7132 HN 9 LYS+ HB3 3.7 9864 HN 9 LYS+ QD 5.4 2311 HN 10 LYS+ HN 4.2 4798 HN 11 GLY HN 6 994.4 HN 71 HEM HB73 6.2 1096.8 HN 71 HEM HB74 4 9465 HA 9 LYS+ HB2 4 6182 HA 9 LYS+ HB3 3.8 8108 HA 9 LYS+ QD 4.7 6210 HA 10 LYS+ HN 4.5 3160 HA 11 GLY HN 5.7 1250 HB2 9 LYS+ HG3 4.6 1697.8 HB2 9 LYS+ QD 4.5 9707 HB2 10 LYS+ HN 4.8 2006 HB3 9 LYS+ QD 3.8 39310 HB3 10 LYS+ HN 4.9 1763.8 HB3 71 HEM HB73 6.4 939.6 QD 10 LYS+ HN 8.5 213.2 QD 71 HEM HB73 8.5 67 10 LYS+ HN 10 LYS+ HA 3.9 7194 HN 10 LYS+ HB2 7.5 35.2 HN 10 LYS+ HG2 4 4270 HN 10 LYS+ HE2 4.8 1418.2 HN 11 GLY HN 3.4 16864 HN 11 GLY HA1 7.5 48.8 HN 71 HEM HB73 5.6 1847 HN 71 HEM HB74 3.8 12430 HN 71 HEM QM8 6.5 3137 HA 10 LYS+ HB2 3.4 17668 HA 10 LYS+ HB3 4 6384 HA 10 LYS+ HG2 3.4 11296 HA 10 LYS+ HE2 5.2 799 HA 11 GLY HN 4.4 3570 HB2 10 LYS+ HG2 4.5 1962.4 HB2 71 HEM QM1 6.3 3639 HB3 10 LYS+ HG2 4.3 2612 HB3 71 HEM QM8 4.8 19700 HB3 71 HEM QM1 4.9 16630 HG2 10 LYS+ HE2 3.8 5488 HG2 11 GLY HN 6.1 1185 HG2 71 HEM HB73 6.2 1048.8 HG2 71 HEM QM8 4.8 19580 HE2 11 GLY HN 6.9 636.4 11 GLY HN 11 GLY HA1 3.6 12080 HN 11 GLY HA2 3.8 8426 HN 12 ASN HN 5.1 1465 HN 12 ASN HA 5.4 971.2 HN 71 HEM HB74 6.8 705 HA1 12 ASN HN 3.7 10760 HA1 12 ASN HA 5.5 860.8 HA1 12 ASN HD22 7.5 82.2 HA1 66 HIS HA 7.4 190.6 HA1 66 HIS HB2 7.5 125.4 HA1 66 HIS HB3 6.5 825.4 HA1 67 ILE HN 6.3 485.6 HA1 67 ILE HG12 7.4 456.4 HA1 68 LYS+ HA 6.2 534.2 HA1 68 LYS+ HB2 7.5 265.8 HA2 12 ASN HN 3.6 11380 HA2 12 ASN HA 7.5 127.8 HA2 66 HIS HA 5.7 910 HA2 66 HIS HB2 6 1239.4 HA2 66 HIS HB3 4.7 4246 HA2 67 ILE HN 4.5 3707 HA2 68 LYS+ HA 7 248.2 HA2 68 LYS+ HB3 7.5 368.8 12 ASN HN 12 ASN HA 3.6 12360 HN 12 ASN HB2 4.4 3632 HN 12 ASN HB3 5 1664.2 HN 12 ASN HD21 7 138.2 HN 13 VAL HN 5.8 666.2 HA 12 ASN HB2 4 6720 HA 12 ASN HB3 3.3 19730 HA 12 ASN HD21 5.3 737 HA 13 VAL HN 3 35700 HA 13 VAL HB 6.3 410.4 HA 13 VAL QG1 7.8 1052.2 HB2 12 ASN HD21 3.6 7284 HB2 12 ASN HD22 4.1 3312 HB2 13 VAL HN 4.7 2242 HB2 13 VAL HA 5.8 655 HB3 12 ASN HD21 3.7 6386 HB3 12 ASN HD22 4.4 2388 HB3 13 VAL HN 3.9 7546 13 VAL HN 13 VAL HA 3.7 10080 HN 13 VAL HB 4.7 2442 HN 13 VAL QG1 6.1 9194 HN 13 VAL QG2 7.2 3268 HN 14 THR HN 5.1 1404.6 HN 66 HIS HA 6.4 423.4 HN 67 ILE HN 7.5 174.8 HN 71 HEM QM5 7 2039 HA 13 VAL HB 4.3 4160 HA 13 VAL QG1 6.7 5020 HA 13 VAL QG2 5.7 13148 HA 14 THR HN 3.1 29880 HA 14 THR HA 6.6 300.8 HA 14 THR HB 5.2 1235 HA 66 HIS HA 4.6 3256 HA 67 ILE HN 5.4 1291.4 HB 13 VAL QG1 7.6 2410 HB 13 VAL QG2 6.5 6273 HB 14 THR HN 6.6 287.8 HB 66 HIS HA 5.5 1980.6 HB 67 ILE HN 7.5 125 HB 71 HEM QM5 6.3 3846 QG1 14 THR HN 8 437.6 QG1 71 HEM QM5 5.3 11240 QG2 14 THR HN 5.8 6216 QG2 15 PHE HN 8 535.4 QG2 15 PHE HB2 6.8 2312 QG2 15 PHE HB3 8 321.6 QG2 65 CYSS HA 7.3 1524.4 QG2 65 CYSS HB3 6.5 3124 QG2 66 HIS HA 8 667.8 QG2 70 HEM QM8 7 1978.8 QG2 70 HEM QM1 4.1 48450 QG2 71 HEM QM5 3.7 94660 14 THR HN 14 THR HA 4.1 5212 HN 14 THR HB 3.6 11478 HN 14 THR QG2 7.4 2808 HN 15 PHE HN 5.6 836.6 HN 70 HEM QM8 8 494.6 HA 14 THR HB 5.4 966.2 HA 14 THR QG2 5.8 12622 HA 15 PHE HN 3 35260 HA 15 PHE HB2 6.4 351.4 HB 14 THR QG2 5.2 23460 HB 15 PHE HN 5.6 836.6 QG2 15 PHE HN 5.9 5828 QG2 16 ASP- HA 8 914.2 QG2 16 ASP- HB3 7.3 1545.6 15 PHE HN 15 PHE HA 4.4 3750 HN 15 PHE HB2 3.5 13502 HN 15 PHE HB3 3.9 6960 HN 15 PHE CG 7.3 750.4 HN 16 ASP- HN 6.4 366.8 HA 15 PHE HB2 5 1696.4 HA 15 PHE HB3 4.6 2698 HA 16 ASP- HN 5.2 1213 HA 16 ASP- HB3 6 515 HB2 15 PHE CG 6.6 1843.5 HB2 15 PHE CZ 8.5 225 HB3 15 PHE CG 6.2 3227.5 HB3 15 PHE CZ 8.3 268.6 HB3 70 HEM QM1 6.6 2784 CG 15 PHE CZ 8.5 2004.5 CG 15 PHE HZ 6.6 1811 CG 39 ILE HB 7.3 2411 CG 39 ILE QG2 1 0 509.5 CG 39 ILE HG12 9.5 365.9 CG 39 ILE HG13 9.5 183.5 CG 39 ILE QD1 1 0 124.1 CG 70 HEM QM1 9.1 1804 CG 70 HEM QT2 6.9 16885 CG 71 HEM QM5 9.1 1895 CZ 39 ILE QG2 1 0 387.9 CZ 70 HEM QM1 8.7 2499.5 CZ 70 HEM QT2 8.8 2350 CZ 71 HEM QM5 6.7 20875 CZ 71 HEM HB63 9.1 530.2 16 ASP- HN 16 ASP- HA 4.4 3568 HN 16 ASP- HB2 5.8 628.4 HN 16 ASP- HB3 4.3 4320 HN 69 HEM QM3 6.8 2366 HA 16 ASP- HB2 3.9 7152 HA 16 ASP- HB3 3.5 14126 HA 17 HIS HN 3.1 29600 HA 17 HIS HA 6.6 289 HA 17 HIS HB3 4.8 2068 HA 18 LYS+ HN 4.4 4536 HA 19 ALA HN 7.2 399.4 HA 19 ALA QB 5.4 475.2 HB2 19 ALA HN 6.6 603 HB2 19 ALA QB 5.8 6058 HB3 17 HIS HN 4.6 2647 HB3 19 ALA HN 7.5 71.8 HB3 19 ALA QB 5.6 7348 17 HIS HN 17 HIS HA 4.5 3228 HN 17 HIS HB2 3 38260 HN 17 HIS HB3 2.8 50080 HN 18 LYS+ HN 3.2 23440 HN 18 LYS+ HB2 7.4 154.2 HN 19 ALA HN 6.9 511.4 HA 17 HIS HB2 3.5 15340 HA 17 HIS HB3 3.2 25780 HA 18 LYS+ HN 3.6 11630 HA 19 ALA HN 7.5 148 HA 20 HIS HN 3.9 8669 HA 20 HIS HB2 5.4 1657.2 HA 21 ALA HN 7.2 411 HB3 18 LYS+ HN 2.5 109000 18 LYS+ HN 18 LYS+ HA 3 36480 HN 18 LYS+ HB2 4.1 5412 HN 18 LYS+ HB3 4 6746 HN 18 LYS+ QD 7.2 278.6 HN 19 ALA HN 3.1 27930 HN 19 ALA QB 8 178.8 HN 20 HIS HN 3.9 9037 HN 21 ALA HN 6.5 644.8 HN 21 ALA QB 5.6 392.8 HA 18 LYS+ HB2 3.6 11710 HA 18 LYS+ HB3 4.1 5674 HA 18 LYS+ HG2 4.4 2398 HA 18 LYS+ HG3 3.7 6688 HA 18 LYS+ QD 6.1 941.9 HA 19 ALA HN 4.7 2337 HA 20 HIS HN 5.9 1081 HA 21 ALA HN 4.2 6184 HA 21 ALA QB 3.3 24100 HA 22 GLU- HN 5 2634 HB2 18 LYS+ HG2 3.8 5468 HB2 18 LYS+ HG3 3.9 4960 HB2 18 LYS+ QD 4.7 6338 HB2 18 LYS+ QE 7.2 289.1 HB2 19 ALA HN 4.7 2272 HB3 18 LYS+ HG2 3.3 14228 HB3 18 LYS+ HG3 3.8 5864 HB3 18 LYS+ QD 4.7 6341 HB3 19 ALA HN 4.1 5632 HB3 19 ALA QB 7.5 1282.6 HG2 18 LYS+ QD 4.4 10120 HG2 18 LYS+ QE 5.8 1367 HG2 19 ALA HN 7 574.6 HG3 18 LYS+ QD 4.2 15700 HG3 18 LYS+ QE 5.7 1605 HG3 19 ALA HN 7.5 150 QD 18 LYS+ QE 5.9 4670 QD 19 ALA HN 8.5 121.3 QE 22 GLU- HG3 8.3 472.9 19 ALA HN 19 ALA HA 4.2 4674 HN 19 ALA QB 3.9 14396 HN 20 HIS HN 3 37680 HN 20 HIS HA 6.6 308.4 HN 20 HIS HB2 6.4 362 HN 21 ALA HN 4.8 2980 HN 22 GLU- HN 6.6 633 HN 22 GLU- HG3 7.5 176.6 HA 19 ALA QB 3.5 27500 HA 20 HIS HN 4.7 2358 HA 21 ALA HN 7.5 109.4 HA 22 GLU- HN 4.5 4210 HA 22 GLU- HB2 5.2 2068 HA 22 GLU- HB3 5 2462 HA 22 GLU- HG2 7.5 225.6 HA 23 LYS+ HN 6.8 522 QB 20 HIS HN 3.6 25450 20 HIS HN 20 HIS HA 3.8 9088 HN 20 HIS HB2 3.3 19860 HN 20 HIS HB3 4.1 5186 HN 21 ALA HN 2.9 45980 HN 21 ALA QB 5.7 1473 HN 22 GLU- HN 5 2478 HN 69 HEM QM3 7.7 1091 HA 20 HIS HB3 5.5 889 HA 21 ALA HN 4.7 2291 HA 22 GLU- HN 5.2 2152 HA 23 LYS+ HN 5.7 1322.4 HA 23 LYS+ HB2 5.7 1352 HA 23 LYS+ HG3 4.9 3730 HA 23 LYS+ HD3 7.5 45 HA 24 LEU HN 7.5 233.8 HA 69 HEM QM3 8 396 HB2 21 ALA HN 3.4 16360 HB2 21 ALA QB 6.1 4591 HB2 69 HEM QM3 4.9 16540 HB2 69 HEM QT4 6.5 3225 HB3 21 ALA HN 5.5 941 HB3 69 HEM QM3 5.7 6972 HB3 69 HEM QT4 8 488 21 ALA HN 21 ALA HA 3.2 23950 HN 21 ALA QB 3.3 101900 HN 22 GLU- HN 3.9 6984 HN 23 LYS+ HN 5.1 2291 HN 69 HEM HT2A 6.3 1018 HN 69 HEM QT2 5.8 6373 HN 69 HEM QM3 5 15780 HA 21 ALA QB 3.7 19866 HA 22 GLU- HN 4.5 2990 HA 23 LYS+ HN 6.1 918.4 HA 24 LEU HN 5 2568 HA 24 LEU HB2 5.9 1063.8 HA 24 LEU HB3 4.3 5156 HA 25 GLY HN 4.7 3466 HA 26 CYSS HA 5.4 1219.2 HA 69 HEM HT2A 5 3232 HA 69 HEM QT2 8 759.2 HA 69 HEM HAM 5.5 1944 HA 69 HEM QM3 3.7 97130 QB 22 GLU- HN 4.3 7944 QB 22 GLU- HA 6.1 930.6 QB 22 GLU- HB2 7.8 1022.8 QB 22 GLU- HB3 8 98.8 QB 22 GLU- HG2 7.8 1030.8 QB 22 GLU- HG3 8 859.2 QB 23 LYS+ HN 5.9 276 QB 25 GLY HN 5.3 566.4 QB 26 CYSS HN 8 51.8 QB 26 CYSS HA 6.5 3110 QB 69 HEM QM1 7.6 1165.2 QB 69 HEM HT2A 5.2 11652 QB 69 HEM QT2 4.6 26820 QB 69 HEM QM3 4.7 23600 22 GLU- HN 22 GLU- HA 3.1 26960 HN 22 GLU- HB2 3.4 16082 HN 22 GLU- HB3 4.1 5794 HN 22 GLU- HG2 3.7 6646 HN 22 GLU- HG3 3.4 11440 HN 23 LYS+ HN 3.1 27040 HN 24 LEU HN 6.7 554.6 HN 69 HEM QM3 6.8 2433 HA 22 GLU- HB2 4 6574 HA 22 GLU- HB3 3.6 11220 HA 22 GLU- HG2 4.5 1896 HA 22 GLU- HG3 3.8 5664 HA 23 LYS+ HN 4.7 2250 HA 23 LYS+ HA 7.1 186.8 HA 24 LEU HN 7 465 HB2 22 GLU- HG2 3.3 13714 HB2 22 GLU- HG3 3.3 14276 HB2 23 LYS+ HN 3.8 8142 HB3 22 GLU- HG2 4.2 3068 HB3 23 LYS+ HN 4.4 3444 HG2 23 LYS+ HN 7.5 272.6 HG2 24 LEU HN 5.4 2166 23 LYS+ HN 23 LYS+ HA 3.9 7396 HN 23 LYS+ HB2 3.6 12580 HN 23 LYS+ HB3 3.8 8576 HN 23 LYS+ HG2 4.6 1745.8 HN 23 LYS+ HG3 3.7 6602 HN 23 LYS+ HD3 4.6 1648 HN 24 LEU HN 3.4 16040 HN 24 LEU HA 6.9 240.2 HN 24 LEU HB2 4.4 3622 HN 24 LEU QD1 8 164.2 HN 25 GLY HN 5.7 1246.6 HA 23 LYS+ HB2 4.5 3124 HA 23 LYS+ HB3 3.7 10016 HA 23 LYS+ HG2 3.6 7372 HA 23 LYS+ HG3 4.3 2692 HA 23 LYS+ HD3 4.8 1280.4 HA 24 LEU HN 4.7 2396 HA 24 LEU QD2 8 257.6 HA 25 GLY HN 7.5 206.6 HB2 23 LYS+ HG2 4 4384 HB2 23 LYS+ HG3 3.6 7604 HB2 23 LYS+ HD2 4.8 1408.4 HB2 23 LYS+ HD3 4.6 1744.6 HB2 24 LEU HN 4.1 5018 HB2 24 LEU QD1 8 182 HB2 24 LEU QD2 8 751.2 HB3 23 LYS+ HG2 3.5 8560 HB3 23 LYS+ HG3 4.6 1707.4 HB3 24 LEU HN 4.2 4408 HB3 24 LEU HB2 7.5 146.4 HB3 24 LEU QD1 8 799.6 HB3 24 LEU QD2 8 581.6 HG2 23 LYS+ HD2 4.2 3054 HG2 23 LYS+ HD3 3.8 5306 HG2 24 LEU QD1 8 481.4 HG3 23 LYS+ HD2 4.3 2556 HG3 24 LEU HN 7.2 509.6 HG3 24 LEU QD1 8 137.2 24 LEU HN 24 LEU HA 3.9 7234 HN 24 LEU HB2 2.9 40760 HN 24 LEU HB3 3.6 12150 HN 24 LEU HG 3.3 12468 HN 24 LEU QD1 7.3 3078 HN 24 LEU QD2 6.3 7500 HN 25 GLY HN 3.5 14348 HN 25 GLY HA1 5.2 1276 HN 69 HEM QM3 5.9 5801 HA 24 LEU HB2 4.1 5088 HA 24 LEU HB3 3.4 17736 HA 24 LEU HG 4.4 2454 HA 24 LEU QD1 5.1 27560 HA 24 LEU QD2 8 1669.4 HA 25 GLY HN 4.4 3534 HB2 24 LEU HG 3.5 8578 HB2 24 LEU QD1 6.1 9310 HB2 24 LEU QD2 6.2 8304 HB2 25 GLY HN 4.3 4024 HB2 28 ALA QB 5.4 9344 HB2 69 HEM QM3 4.3 36880 HB2 70 HEM HT4A 5.2 2527 HB3 24 LEU HG 3.8 5848 HB3 24 LEU QD1 7.5 2596 HB3 24 LEU QD2 6.3 7248 HB3 25 GLY HN 4.7 2244 HB3 25 GLY HA2 4.5 2966 HB3 28 ALA HN 6.8 525.6 HB3 28 ALA HA 5.3 1837.8 HB3 28 ALA QB 5.3 10590 HB3 69 HEM QM3 4.8 18320 HB3 70 HEM QT4 6.9 2100 HG 24 LEU QD1 5.5 17116 HG 24 LEU QD2 6.5 6152 HG 25 GLY HN 7 606.2 HG 70 HEM QT4 6.9 2229 HG 70 HEM QM5 5.6 7644 QD1 25 GLY HN 7.1 1902.4 QD1 52 CYSS HB3 8 730.4 QD1 69 HEM QM3 4.3 36780 QD1 70 HEM QT4 5.8 5944 QD1 70 HEM QM5 5.2 12180 QD2 25 GLY HN 8 94.8 QD2 69 HEM HT2A 8 201.8 QD2 69 HEM QM3 4.5 30680 QD2 69 HEM HT4A 8 220.2 QD2 70 HEM QM3 8 614 QD2 70 HEM QT4 5.8 6054 25 GLY HN 25 GLY HA1 3.4 16420 HN 25 GLY HA2 3.7 9722 HN 26 CYSS HN 4.2 4986 HN 69 HEM QT2 8 96.6 HN 69 HEM QM3 6.4 3337 HA1 26 CYSS HN 3.5 14418 HA1 26 CYSS HA 6.1 470.2 HA1 27 ASP- HN 6 1030.8 HA1 28 ALA HN 7.1 425.8 HA2 26 CYSS HN 3.9 7184 HA2 27 ASP- HN 6 1025 HA2 28 ALA HN 6.7 581.2 26 CYSS HN 26 CYSS HA 4.5 3090 HN 26 CYSS HB2 3.9 6806 HN 26 CYSS HB3 4.5 3148 HN 27 ASP- HN 4 6354 HN 69 HEM HT2A 3.4 23470 HN 69 HEM QT2 7.6 1191.2 HN 69 HEM HAM 4.4 6156 HA 26 CYSS HB2 3.3 21900 HA 27 ASP- HN 4.8 2166 HA 27 ASP- HA 5.7 721 HA 28 ALA HN 6.7 555.6 HA 30 HIS HN 4.6 3816 HA 69 HEM HT2A 2.8 60370 HA 69 HEM QT2 7.8 1007.6 HA 69 HEM HAM 4.3 6796 HA 69 HEM QM3 4.5 30000 HB2 27 ASP- HN 3.8 7912 HB2 27 ASP- HA 6.8 258.4 HB2 30 HIS HB3 5.6 1870 HB2 69 HEM HT2A 7.5 378.8 HB3 27 ASP- HN 5 1597.6 HB3 30 HIS HB2 7.5 190 HB3 30 HIS HB3 6.6 771 HB3 69 HEM HT2A 4.7 4512 HB3 69 HEM QT2 6 4989 27 ASP- HN 27 ASP- HA 3.8 8326 HN 27 ASP- QB 4.6 6099 HN 28 ALA HN 3.7 9772 HN 28 ALA HA 6.9 225.6 HN 28 ALA QB 5.9 1174.6 HN 29 CYSS HN 7 461.6 HN 30 HIS HN 7.5 188.2 HN 69 HEM HT2A 5.8 1546 HA 27 ASP- QB 4.1 15050 HA 28 ALA HN 4.7 2356 HA 29 CYSS HN 5.2 2136 HA 30 HIS HN 3.6 12720 HA 30 HIS HA 7.5 109 HA 30 HIS HB2 5.8 1200 HA 30 HIS HB3 6 1023 HA 31 GLU- HA 7.5 98 HA 32 GLY HN 6 643.2 QB 28 ALA HN 6.1 1380 QB 30 HIS HN 8.5 121.6 28 ALA HN 28 ALA HA 3.9 7012 HN 28 ALA QB 3.3 85230 HN 29 CYSS HN 3.5 15276 HN 30 HIS HN 6.2 872.4 HN 69 HEM QM3 5.4 9123 HN 70 HEM QT4 8 120.6 HA 28 ALA QB 3.3 65970 HA 29 CYSS HN 5.1 1519.8 HA 29 CYSS HA 7.4 151.8 HA 70 HEM QT4 8 502.4 QB 29 CYSS HN 4.5 6032 QB 29 CYSS HB3 5.4 9720 QB 69 HEM QM3 4.9 16430 QB 70 HEM QT4 5.1 13520 29 CYSS HN 29 CYSS HA 4.1 5524 HN 29 CYSS HB2 4.8 1984.4 HN 29 CYSS HB3 5.5 947.8 HN 30 HIS HN 3.4 17880 HN 30 HIS HA 6.7 264.8 HN 30 HIS HB2 5.8 661.8 HN 30 HIS HB3 5.8 678 HN 69 HEM QM3 5.3 10200 HN 70 HEM QT4 8 210.8 HA 29 CYSS HB2 4.8 2016 HA 29 CYSS HB3 3.8 8288 HA 30 HIS HN 7.4 146.8 HA 30 HIS HA 6.6 309.4 HA 70 HEM QM3 8 446.4 HB2 30 HIS HN 5.3 1076 HB2 69 HEM HT4A 6.6 797.2 HB2 70 HEM QM3 8 296 HB3 30 HIS HN 6.8 256 HB3 37 ILE QD1 6.6 2864 HB3 69 HEM HT4A 5.4 2242 HB3 69 HEM QT4 8 181 HB3 70 HEM QM3 8 498.8 30 HIS HN 30 HIS HA 3.9 6892 HN 30 HIS HB2 3.1 30080 HN 30 HIS HB3 3.5 15210 HN 31 GLU- HN 6.2 422.4 HN 34 PRO HA 7.5 97.8 HA 30 HIS HB2 3.3 19226 HA 30 HIS HB3 3.5 15328 HA 31 GLU- HN 3.5 13778 HA 31 GLU- HA 5 1527.6 HA 31 GLU- HB3 5.4 1067.8 HA 34 PRO HA 6.6 639.8 HA 37 ILE HG13 7.5 106.2 HA 37 ILE QD1 5.2 12700 HB2 31 GLU- HN 5.3 1107.2 HB2 34 PRO HA 5.4 1684.8 HB2 34 PRO HG3 5.2 2520 HB3 31 GLU- HN 3.5 14240 HB3 33 THR HN 7.5 56.6 HB3 34 PRO HA 3 34800 HB3 34 PRO HB2 7.5 309.2 HB3 34 PRO HB3 6.7 753.6 HB3 34 PRO HG3 4.8 3987 HB3 34 PRO HD3 7.5 123.6 HB3 35 ALA HN 4.6 4979 HB3 37 ILE HG13 4.8 4024 HB3 37 ILE QD1 8 586 31 GLU- HN 31 GLU- HA 4.7 2314 HN 31 GLU- HB2 5.3 1198.2 HN 31 GLU- HB3 3.8 8336 HN 32 GLY HN 4.2 4340 HA 31 GLU- HB2 4.7 2476 HA 31 GLU- HB3 3.5 13212 HA 32 GLY HN 3.2 23040 HB2 32 GLY HN 5.3 1170.2 HB3 32 GLY HN 4.1 5672 32 GLY HN 32 GLY HA1 3.6 11874 HN 32 GLY HA2 3.5 14392 HN 33 THR HN 5.4 1028.8 HN 34 PRO HB2 7.2 392.2 HA1 33 THR HN 3.9 6818 HA2 33 THR HN 3.1 31340 33 THR HN 33 THR HB 3.7 9932 HN 33 THR QG2 7.8 2036 HN 34 PRO HB2 5.1 1426.6 HN 34 PRO HG2 7.5 296.4 HA 33 THR QG2 5.6 14224 HB 33 THR QG2 5.6 15252 HB 34 PRO HA 6.4 372.4 HB 34 PRO HD2 5.5 1929.4 QG2 34 PRO HB2 6 5180 QG2 34 PRO HG2 5.8 6124 QG2 35 ALA QB 7.1 4660 34 PRO HA 34 PRO HB2 5.8 672.8 HA 34 PRO HG2 5.4 699.4 HA 34 PRO HG3 4.9 1165.6 HA 34 PRO HD2 5.5 566 HA 34 PRO HD3 5.4 650.4 HA 35 ALA HN 3.7 10440 HA 35 ALA QB 6.2 896.6 HA 69 HEM QM8 8 855 HB2 34 PRO HG2 2.7 40180 HB2 34 PRO HG3 3.6 7262 HB2 34 PRO HD2 4.9 1227.2 HB2 34 PRO HD3 3.6 7930 HB3 34 PRO HG2 3.1 18536 HB3 34 PRO HD3 4.5 1903.2 HB3 35 ALA HN 7.4 152 HG2 34 PRO HD2 4.3 2714 HG2 34 PRO HD3 3.1 20440 HG2 69 HEM QM8 7.4 1427 HG2 69 HEM QM1 8 244.2 HG3 34 PRO HD2 5 1057 HG3 34 PRO HD3 2.9 26260 HG3 69 HEM QM1 8 704.6 HD2 69 HEM QM8 5 15090 HD3 69 HEM QM8 6.6 2823 HD3 69 HEM QM1 5 14440 35 ALA HN 35 ALA HA 4.8 2107 HN 35 ALA QB 3.7 19000 HN 36 LYS+ HN 7.5 20.8 HN 69 HEM QM8 6.9 2118 HA 35 ALA QB 3.6 24520 HA 36 LYS+ HN 3.4 15544 HA 36 LYS+ HB3 5.5 918.2 HA 36 LYS+ HG2 7.5 327 HA 69 HEM HA71 6.8 676.6 HA 69 HEM HA72 6.8 660.4 HA 69 HEM QM8 5.6 7414 QB 36 LYS+ HN 3.3 56680 QB 36 LYS+ HB3 6.6 2776 QB 36 LYS+ HG2 7.2 1661.4 QB 36 LYS+ HG3 6.9 2238 QB 69 HEM QM8 6.5 3243 36 LYS+ HN 36 LYS+ HA 3.9 7518 HN 36 LYS+ HB2 4.7 2390 HN 36 LYS+ HB3 3.3 20180 HN 36 LYS+ HG2 3.2 16554 HN 36 LYS+ HG3 4.9 1211.6 HN 36 LYS+ HD3 4.8 1353.2 HN 37 ILE HN 6 552.6 HN 69 HEM HA71 4 9922 HN 69 HEM HA72 5.2 2588 HN 69 HEM HB73 6.9 610.8 HN 69 HEM QM8 6.2 4060 HA 36 LYS+ HB2 3.4 18310 HA 36 LYS+ HB3 3.4 16488 HA 36 LYS+ HG2 3.6 8182 HA 36 LYS+ HG3 4.2 3272 HA 36 LYS+ HD2 5.2 817.2 HA 36 LYS+ HD3 4.6 1863.4 HA 37 ILE HN 3.2 25020 HA 37 ILE HA 6 536.4 HA 37 ILE HB 4.9 1760.6 HA 37 ILE HG12 6.8 684.8 HB2 36 LYS+ HG2 3 23000 HB2 36 LYS+ HG3 3 21740 HB2 36 LYS+ HD2 3.6 7616 HB2 36 LYS+ HD3 4.9 1178.2 HB2 36 LYS+ HE2 4 3934 HB2 36 LYS+ HE3 3.7 7000 HB2 37 ILE HN 3.8 8398 HB2 38 ALA HA 6.2 876.2 HB2 69 HEM HA71 5 3109 HB2 69 HEM HA72 4.4 6462 HB2 69 HEM HGM 6.8 658.6 HB2 69 HEM HA61 4.5 5352 HB2 69 HEM HA62 3.8 12892 HB2 69 HEM HB64 5.3 2300 HB3 36 LYS+ HG3 4.4 2338 HB3 36 LYS+ HE2 6.5 221.2 HB3 37 ILE HN 4.9 1922 HB3 69 HEM HA71 5.1 2788 HB3 69 HEM HA72 4.8 4034 HG2 36 LYS+ HE3 6.1 329.6 HG2 37 ILE HN 5.9 1402.2 HG2 69 HEM HA71 7.3 468.6 HG2 69 HEM HA72 6.8 675 HG3 36 LYS+ HE2 4.5 2100 HG3 36 LYS+ HE3 4.3 2530 HD2 36 LYS+ HE2 4.1 3480 HD2 36 LYS+ HE3 4.6 1771.8 HE3 37 ILE QG2 8 92.6 37 ILE HN 37 ILE HA 4.6 2542 HN 37 ILE HB 3 36720 HN 37 ILE QG2 8 669 HN 37 ILE HG12 4.3 2534 HN 37 ILE HG13 4.3 2664 HN 37 ILE QD1 8 1677 HN 38 ALA HN 7.3 159.4 HN 69 HEM QM5 8 417.2 HN 69 HEM HA61 4.5 5270 HN 69 HEM HB63 5.9 1342.8 HN 69 HEM HB64 6.2 1078.6 HA 37 ILE HB 3.6 11180 HA 37 ILE QG2 5.3 20980 HA 37 ILE HG12 3.9 4528 HA 37 ILE HG13 3.3 13354 HA 37 ILE QD1 7.4 2786 HA 38 ALA HN 3.2 26520 HB 37 ILE QG2 5.3 21460 HB 37 ILE HG12 3.9 5064 HB 37 ILE HG13 4 4084 HB 37 ILE QD1 4.9 35700 HB 38 ALA HN 4 6596 HB 39 ILE HG12 6.4 895 HB 39 ILE QD1 8 282.4 HB 69 HEM QM5 5 14840 HB 69 HEM HA61 4 10370 HB 69 HEM HA62 5.1 2785 HB 69 HEM HB63 7.5 326.2 QG2 37 ILE HG12 6.5 6324 QG2 37 ILE HG13 5.7 13190 QG2 37 ILE QD1 6.3 20730 QG2 38 ALA HN 5.5 8554 QG2 38 ALA QB 7.9 2136 QG2 39 ILE HA 8 844.4 QG2 39 ILE QG2 8.7 1141.8 QG2 39 ILE QD1 6.1 14000 QG2 43 SER HB3 8 725.4 QG2 69 HEM QM5 5.4 9362 HG12 37 ILE QD1 6.3 7618 HG12 38 ALA HN 7.5 407.2 HG12 39 ILE QD1 8 137.8 HG12 69 HEM HA62 6.7 744 HG13 37 ILE QD1 5.8 12324 HG13 38 ALA HN 6.1 1141.4 QD1 38 ALA HN 8 426 QD1 39 ILE QD1 9 239.2 QD1 48 ALA QB 8.1 1784.6 QD1 69 HEM HT4A 8 176.8 QD1 69 HEM HBM 8 781 QD1 69 HEM QM5 4.7 20880 38 ALA HN 38 ALA HA 3.6 11540 HN 38 ALA QB 3.7 18650 HN 39 ILE HN 5.4 1024.8 HN 39 ILE QD1 6.6 2737 HA 38 ALA QB 3.5 29340 HA 39 ILE HN 2.9 45700 HA 39 ILE HA 6.6 308.6 HA 39 ILE HB 4.8 1980.4 HA 39 ILE QG2 8 269.8 HA 39 ILE HG12 5.8 1542 HA 39 ILE QD1 8 303.2 QB 39 ILE HN 4.7 4870 QB 39 ILE HA 8 103.8 39 ILE HN 39 ILE HA 4.3 3892 HN 39 ILE HB 3.5 14440 HN 39 ILE QG2 6.3 7454 HN 39 ILE HG12 3.6 7422 HN 39 ILE HG13 4 4036 HN 39 ILE QD1 6.2 8129 HN 40 ASP- HN 5 1662.8 HN 69 HEM QM5 6.9 2091 HA 39 ILE HB 3.9 7544 HA 39 ILE QG2 4.9 33870 HA 39 ILE HG12 4.1 3414 HA 39 ILE HG13 4 4086 HA 39 ILE QD1 4.4 61250 HA 40 ASP- HN 2.8 54180 HA 43 SER HB2 5.7 1247.8 HA 44 ALA HN 6.5 413.6 HA 44 ALA QB 8 120.6 HA 48 ALA QB 7.5 1294 HA 69 HEM QM5 8 192.6 HA 70 HEM QT2 8 84.8 HA 71 HEM QM5 7.9 966 HB 39 ILE QG2 4.8 38740 HB 39 ILE HG12 2.9 28960 HB 39 ILE HG13 3 24520 HB 39 ILE QD1 6.1 8804 HB 40 ASP- HN 4.5 3248 HB 40 ASP- HA 7.3 157 HB 44 ALA QB 8 225.6 HB 69 HEM QM5 7.4 1369.8 HB 70 HEM QT2 7.7 1135.2 HB 71 HEM QM5 6.6 2855 QG2 39 ILE HG12 5.9 10916 QG2 39 ILE HG13 5.7 13582 QG2 39 ILE QD1 6.9 10552 QG2 40 ASP- HN 5.7 6940 QG2 40 ASP- HA 6.2 3963 QG2 43 SER HB3 8 458 QG2 44 ALA HN 5.7 7182 QG2 44 ALA HA 8 683.6 QG2 44 ALA QB 7.5 3094 QG2 48 ALA QB 7.2 4128 QG2 69 HEM QM5 7.5 1360 QG2 70 HEM QM1 8 920 QG2 70 HEM QT2 6.3 3664 QG2 71 HEM QM5 3.9 73590 QG2 71 HEM HA61 7.5 1269 QG2 71 HEM HA62 7 2036 QG2 71 HEM HB64 7.2 1704 HG12 39 ILE QD1 5.2 23080 HG12 40 ASP- HN 7.4 454 HG12 69 HEM QM5 5.8 6098 HG12 69 HEM HA61 5.3 2420 HG12 69 HEM HA62 7.5 267 HG12 69 HEM HB63 6.3 995.4 HG12 70 HEM QT2 6.7 2702 HG13 39 ILE QD1 5.8 12464 HG13 40 ASP- HN 7.5 117.4 HG13 69 HEM QM5 6.2 4186 HG13 69 HEM HA61 7.2 510.4 HG13 69 HEM HA62 7.5 131.8 HG13 70 HEM QT2 6.4 3448 HG13 71 HEM QM5 5.1 14230 QD1 40 ASP- HN 5.1 14110 QD1 43 SER HB3 7.5 1326.4 QD1 44 ALA HN 7 1928 QD1 44 ALA HA 8 514.4 QD1 44 ALA QB 9 198.8 QD1 48 ALA HA 8 304.4 QD1 48 ALA QB 5.5 27900 QD1 69 HEM QM5 4.9 16726 QD1 69 HEM HA61 7.6 1211 QD1 69 HEM HA62 8 577 QD1 69 HEM HB63 8 403.2 QD1 70 HEM QM1 8 779 QD1 70 HEM QT2 5.8 6242 QD1 71 HEM QM5 5.2 12100 40 ASP- HN 40 ASP- HA 4.1 5766 HN 40 ASP- HB2 5.2 1224.4 HN 40 ASP- HB3 5.5 874.4 HN 42 LYS+ HN 6.4 748 HN 43 SER HN 5.6 1399.6 HN 43 SER HB2 7.1 415.2 HN 43 SER HB3 5.9 1077.6 HN 44 ALA HN 4.7 3496 HN 44 ALA QB 4.1 2529 HN 48 ALA QB 8 357.8 HN 71 HEM QM5 7.2 1723 HA 40 ASP- HB2 3.3 20440 HA 40 ASP- HB3 3.2 23320 HA 41 LYS+ HN 3.7 9328 HA 41 LYS+ QG 8.5 239.8 HA 71 HEM HA61 6.9 653.4 HA 71 HEM HA62 7.4 452.6 HA 71 HEM HB63 6.5 873.4 HA 71 HEM HB64 6.3 970 HB2 41 LYS+ HN 3.6 11806 HB2 42 LYS+ HN 5.9 1136.4 HB3 41 LYS+ HN 4.1 5440 HB3 42 LYS+ HN 7.5 118.2 41 LYS+ HN 41 LYS+ HA 3.8 8532 HN 41 LYS+ QB 5.7 1369 HN 41 LYS+ QG 5.1 3402 HN 42 LYS+ HN 4.4 3722 HN 44 ALA QB 5.3 519 HN 71 HEM HA62 7.5 165.2 HN 71 HEM HB63 7.2 518.6 HA 41 LYS+ QB 5.9 1877 HA 41 LYS+ QG 3.2 59600 HA 42 LYS+ HN 3.1 29970 HA 42 LYS+ HA 7.5 79.2 QB 41 LYS+ QG 7.9 391.8 QB 42 LYS+ HN 8.5 103.8 QB 44 ALA HN 8.5 68.6 QB 44 ALA QB 9 174.4 QB 71 HEM HA61 8.5 311.5 QG 42 LYS+ HN 5.9 3601.5 QG 71 HEM HA71 7.1 1159 QG 71 HEM HA72 6.8 1482 42 LYS+ HN 42 LYS+ HA 3.5 14950 HN 42 LYS+ QB 4.3 9345 HN 42 LYS+ QG 5.4 2300 HN 42 LYS+ HD2 5.2 852 HN 43 SER HN 3.8 8462 HN 43 SER HA 7.5 54.4 HN 44 ALA HN 5.8 1163.8 HA 42 LYS+ QB 4.2 26170 HA 42 LYS+ QG 4.1 9955 HA 42 LYS+ HE2 7.5 72.2 HA 43 SER HN 5.4 1065.4 HA 44 ALA HN 7.5 137.8 HA 45 HIS HN 5.5 1545 HA 45 HIS HB2 4.1 7271 HA 45 HIS HB3 5.5 1551 QB 42 LYS+ QG 5.5 8805 QB 42 LYS+ HD2 8.5 27.9 QB 43 SER HN 5 6053 QB 44 ALA HN 8.5 191.6 QG 42 LYS+ HE2 6.3 734.9 QG 43 SER HN 8.5 411 43 SER HN 43 SER HA 4.1 5064 HN 43 SER HB2 4.1 5768 HN 43 SER HB3 4.4 3524 HN 44 ALA HN 3.4 16350 HN 44 ALA HA 7.5 84.8 HN 45 HIS HN 7.5 105 HN 48 ALA QB 8 324.8 HA 43 SER HB2 3.7 10438 HA 43 SER HB3 3.4 16360 HA 44 ALA HN 4.9 1808.6 HA 46 LYS+ HN 5.2 2068 HA 46 LYS+ HB2 5.9 1078.8 HA 47 ASP- HN 5.6 1368.4 HA 48 ALA HN 5.2 1608.8 HA 48 ALA QB 7.9 993.2 HB2 44 ALA HN 5.7 742 HB2 48 ALA HN 7.5 223.4 HB2 48 ALA QB 6.4 3296 HB3 44 ALA HN 5.5 956.4 HB3 44 ALA HA 6.2 418.8 HB3 46 LYS+ HN 7.5 204 HB3 48 ALA HN 5.6 1738 HB3 48 ALA QB 5.1 13808 44 ALA HN 44 ALA HA 3.8 8408 HN 44 ALA QB 4 12608 HN 45 HIS HN 4 5900 HN 48 ALA QB 4.3 1913.6 HN 71 HEM QM5 6.4 3263 HA 44 ALA QB 3.3 78030 HA 45 HIS HN 3.5 13850 HA 48 ALA QB 3.3 10302 HA 49 CYSS HA 5.1 1654 HA 50 LYS+ HG3 6.4 887.2 HA 71 HEM QM5 5.7 6568 QB 45 HIS HN 3.7 18870 QB 45 HIS HA 7.1 393 QB 45 HIS HB2 7.3 1596 QB 45 HIS HB3 8 702 QB 48 ALA QB 9 910.4 QB 50 LYS+ HN 8 181.6 QB 70 HEM QM1 7.6 1240 QB 70 HEM QT2 6.5 2972 QB 71 HEM QM5 3.9 72840 QB 71 HEM HA61 7.1 1877 QB 71 HEM HA62 7.7 1124 QB 71 HEM HB63 7.8 1015 QB 71 HEM HB64 8 597 45 HIS HN 45 HIS HA 4.8 2092 HN 45 HIS HB2 3 37050 HN 45 HIS HB3 3.5 13040 HN 46 LYS+ HN 3.8 7934 HN 48 ALA QB 4.7 1172 HN 71 HEM QM5 7.1 1863 HA 45 HIS HB2 3.6 11370 HA 45 HIS HB3 3.3 18610 HA 46 LYS+ HN 4.5 3138 HA 50 LYS+ HN 4.6 3488 HA 50 LYS+ HB2 5.5 2072 HA 50 LYS+ HB3 5.2 2760 HB2 46 LYS+ HN 3.8 7936 HB2 46 LYS+ HB2 5.6 1857 HB3 46 LYS+ HN 4.2 4451 HB3 46 LYS+ HB2 5.3 2457 46 LYS+ HN 46 LYS+ HA 4 6472 HN 46 LYS+ HB2 3.4 17990 HN 46 LYS+ HB3 4.4 3382 HN 46 LYS+ HG2 5 1053.6 HN 46 LYS+ HG3 4.2 3072 HN 47 ASP- HN 4.3 4034 HN 48 ALA HN 5.4 1758 HN 48 ALA QB 5.2 632.4 HN 49 CYSS HA 6.5 694.8 HN 50 LYS+ HN 6.2 832.4 HN 50 LYS+ HB3 7.4 347.6 HA 46 LYS+ HB2 3.8 7910 HA 46 LYS+ HB3 4.1 5252 HA 46 LYS+ HG2 3.6 7292 HA 46 LYS+ HG3 5.1 966.2 HA 46 LYS+ HD2 6.1 329.8 HA 47 ASP- HN 4.6 2768 HA 47 ASP- HA 6.5 317.6 HA 50 LYS+ HN 7.5 241 HB2 46 LYS+ HG2 3.1 20800 HB2 46 LYS+ HD2 4.3 2830 HB2 47 ASP- HN 3.5 13268 HB3 47 ASP- HN 3.1 27060 HB3 48 ALA HN 7.5 315.2 HB3 50 LYS+ HN 7.3 363 HG2 47 ASP- HN 4.4 6348 HG3 46 LYS+ HD2 6.3 257.4 HD2 47 ASP- HN 7.2 520 47 ASP- HN 47 ASP- HA 4.2 4552 HN 47 ASP- HB2 3.8 8398 HN 47 ASP- HB3 3.7 10486 HN 48 ALA HN 3.3 19592 HN 48 ALA QB 7.3 311.8 HN 49 CYSS HA 7.5 120.8 HA 47 ASP- HB2 3.6 11900 HA 47 ASP- HB3 4.4 3348 HA 48 ALA HN 5.3 1079.4 HA 51 THR QG2 6.5 3148 HB2 48 ALA HN 5.5 879.8 HB2 51 THR QG2 6.8 2270 HB3 48 ALA HN 4.6 2734 48 ALA HN 48 ALA HA 3.9 7736 HN 48 ALA QB 3.8 15730 HA 48 ALA QB 3.4 32860 HA 49 CYSS HA 6.4 372.4 HA 70 HEM QM3 8 451.4 QB 49 CYSS HA 4.9 3762 QB 49 CYSS HB3 8 46.2 QB 50 LYS+ HN 7.7 57 QB 69 HEM QM5 8 884.6 QB 70 HEM HT2A 8 478.4 QB 70 HEM QT2 7.1 1842 49 CYSS HN 49 CYSS HA 3.6 12028 HN 49 CYSS HB3 5.7 761 HN 50 LYS+ HN 6.4 368 HA 49 CYSS HB3 5.9 604.2 HA 50 LYS+ HN 3.8 8466 HA 50 LYS+ HG3 7.5 381.6 HA 51 THR HN 6.3 782.8 HA 70 HEM HAM 7.5 347.8 HB2 70 HEM QM1 5.6 7290 HB2 70 HEM QT2 7.2 1651.4 HB3 51 THR HN 5.1 2296 HB3 70 HEM QM1 8 573.8 HB3 70 HEM QT2 8 340.2 50 LYS+ HN 50 LYS+ HA 4.5 3150 HN 50 LYS+ HB2 3.7 9430 HN 50 LYS+ HB3 3.8 8354 HN 50 LYS+ HG2 5.1 916 HN 50 LYS+ HG3 3 22650 HN 50 LYS+ HD2 5.1 944.2 HN 50 LYS+ HD3 4.9 1155.8 HN 51 THR HN 4.8 2200 HN 70 HEM HAM 7.5 99 HN 71 HEM QT2 7.7 1080 HA 50 LYS+ HB2 4.4 3276 HA 50 LYS+ HB3 4.7 2320 HA 50 LYS+ HD3 4.8 1394.6 HA 51 THR HN 6.3 402.6 HA 54 LYS+ HG3 7.5 240.2 HB2 50 LYS+ HG3 3.8 5574 HB2 50 LYS+ HD2 3.3 12168 HB2 51 THR HN 5 1564.4 HB2 71 HEM QM3 7.5 1295.8 HB3 50 LYS+ HG3 5.8 420.4 HB3 50 LYS+ HD2 3.8 5214 HB3 50 LYS+ HD3 4.7 1553 HB3 51 THR HN 4.1 5080 HD3 71 HEM QM3 6.3 3600 51 THR HN 51 THR HA 3.9 7878 HN 51 THR HB 3.6 12036 HN 51 THR QG2 6.3 7228 HN 52 CYSS HN 4.3 3772 HA 51 THR HB 4.1 5478 HA 51 THR QG2 5.4 18416 HA 52 CYSS HN 5.2 1307.4 HA 52 CYSS HB3 6.6 303.6 HA 54 LYS+ HN 4.9 2826 HA 54 LYS+ HG2 5.9 1426.2 HA 54 LYS+ HG3 7.5 341.6 HA 54 LYS+ HD2 5.6 1829.2 HB 51 THR QG2 5.1 26840 HB 52 CYSS HN 4.3 4282 QG2 52 CYSS HN 6.3 3800 QG2 54 LYS+ HD2 7.7 1150.2 52 CYSS HN 52 CYSS HA 3.9 7216 HN 52 CYSS HB2 4 6414 HN 52 CYSS HB3 4.4 3728 HN 53 HIS HN 5 1613.8 HN 70 HEM QM3 5.5 8257 HN 70 HEM QT4 8 710.2 HA 52 CYSS HB2 3.5 13762 HA 52 CYSS HB3 4.8 2120 HA 53 HIS HN 6.1 496 HA 54 LYS+ HN 6 1008 HA 70 HEM QM3 8 241.8 HA 70 HEM QT4 8 469 HB2 53 HIS HN 5.7 743 HB2 70 HEM QM3 4.4 32870 HB2 70 HEM QT4 5.4 9354 HB3 70 HEM QM3 4.8 18930 53 HIS HN 53 HIS HB2 4 5861 HN 53 HIS HB3 4.7 2210 HN 55 SER HN 6.9 497.2 HB2 54 LYS+ HN 3.5 13140 HB2 54 LYS+ HG3 4.1 8369 HB3 54 LYS+ HN 5 1637 HB3 54 LYS+ HG3 3.9 11430 54 LYS+ HN 54 LYS+ HA 4 6620 HN 54 LYS+ HB2 3.4 15490 HN 54 LYS+ HB3 3.7 10380 HN 54 LYS+ HG2 6 350.4 HN 54 LYS+ HG3 4 3926 HN 54 LYS+ HD2 5 1119.8 HN 54 LYS+ HD3 4.7 1568.8 HN 55 SER HN 4 6172 HN 56 ASN HN 6.3 808.8 HA 54 LYS+ HB2 3.4 16486 HA 54 LYS+ HB3 4.5 3196 HA 54 LYS+ HG2 6.6 201 HA 54 LYS+ HG3 3 21440 HA 54 LYS+ HD3 3.9 5032 HA 55 SER HN 4.9 1917.6 HA 56 ASN HN 6.1 910.4 HB2 54 LYS+ HG2 3 21640 HB2 54 LYS+ HG3 3 24220 HB2 55 SER HN 4.1 5064 HB2 56 ASN HN 7.5 243.2 HB3 54 LYS+ HG2 3.8 5366 HB3 54 LYS+ HG3 2.6 54400 HG3 54 LYS+ HD2 3.2 14994 HG3 55 SER HN 7.1 543 55 SER HN 55 SER HA 4 5968 HN 55 SER HB2 4.8 2043 HN 55 SER HB3 3.9 7532 HN 56 ASN HA 6.2 431 HN 56 ASN HB2 6.1 488.2 HN 56 ASN HD21 7.5 212.4 HA 55 SER HB3 3.8 8188 HA 56 ASN HN 4.6 2538 HB3 56 ASN HN 4.8 2016 HB3 56 ASN HB2 7.5 140.8 HB3 56 ASN HD21 7.5 139.2 56 ASN HN 56 ASN HA 4.1 5464 HN 56 ASN HB2 3.6 11280 HN 56 ASN HB3 5 1671.2 HN 56 ASN HD21 4.9 1189 HN 57 ASN HN 4.7 2346 HN 58 GLY HN 7.5 156.8 HA 56 ASN HB2 3.4 17454 HA 56 ASN HB3 3.8 8044 HA 56 ASN HD21 5.8 438 HA 57 ASN HN 4.1 5328 HB2 56 ASN HD21 3.5 9830 HB2 56 ASN HD22 4.6 1814.2 HB2 57 ASN HN 3.4 15676 HB2 58 GLY HN 6.6 609.4 HB3 56 ASN HD21 4.1 3524 HB3 57 ASN HN 4.1 5356 HD21 57 ASN HN 7.5 370.8 57 ASN HN 57 ASN HA 3.8 8956 HN 57 ASN HB2 4.9 1925.2 HN 57 ASN HB3 4.2 4730 HN 57 ASN HD21 7.5 94.6 HN 58 GLY HN 4.5 3028 HN 70 HEM QM5 6.1 4460 HA 57 ASN HB2 3.7 10118 HA 57 ASN HB3 4.4 3750 HA 58 GLY HN 4.7 2466 HB2 57 ASN HD21 5 997.8 HB2 57 ASN HD22 6.6 192.6 HB3 57 ASN HD21 4.1 3286 HB3 57 ASN HD22 5.6 554.2 HB3 58 GLY HN 6.8 256 HD22 70 HEM HA62 5.4 2125 58 GLY HN 58 GLY HA1 5.5 882.6 59 PRO HA 59 PRO HB2 4 6252 HA 59 PRO HB3 3.7 9372 HA 59 PRO QG 6.6 337.1 HA 59 PRO QD 8.5 51.9 HA 60 THR HN 3.3 20400 HA 61 LYS+ HN 4.4 4900 HA 62 CYSS HB2 7.5 158.2 HA 64 GLY HA2 5.1 1768.6 HB2 59 PRO QG 8 139.7 HB2 59 PRO QD 5.5 1908 HB2 60 THR HN 5.1 1499 HB2 64 GLY HN 5.9 1384.4 HB2 64 GLY HA1 4.4 6042 HB2 64 GLY HA2 3.9 11696 HB2 65 CYSS HN 7.1 530.4 HB2 71 HEM QM3 8 568.8 HB3 59 PRO QG 6.8 449 HB3 59 PRO QD 5.7 1519 HB3 60 THR HN 4.3 4286 HB3 64 GLY HA1 4.9 3520 HB3 64 GLY HA2 3.8 12394 HB3 71 HEM QM3 8 72.4 HG2 64 GLY HN 7.5 178.2 QD 60 THR HN 8.5 37.5 60 THR HN 60 THR HA 4.6 2818 HN 60 THR HB 4.6 2568 HN 61 LYS+ HN 3.6 11732 HN 61 LYS+ HB2 6.7 276.8 HA 60 THR HB 3.6 12354 HA 61 LYS+ HN 5 1714.2 HA 64 GLY HA1 6.3 762.2 HA 71 HEM QM3 5.1 13138 HB 61 LYS+ HN 5.9 588.2 HB 64 GLY HA1 6.2 825.2 HB 71 HEM QM3 8 666.4 61 LYS+ HN 61 LYS+ HA 4.3 4120 HN 61 LYS+ HB2 4.3 4172 HN 61 LYS+ HB3 5.1 1454.4 HN 61 LYS+ HG2 3.2 15128 HN 61 LYS+ HG3 4 4110 HN 62 CYSS HN 6 544.6 HN 64 GLY HN 6.3 759.8 HN 64 GLY HA2 6.6 607 HN 71 HEM QM3 8 564.8 HA 61 LYS+ HB2 3.7 10546 HA 61 LYS+ HB3 4.8 1995 HA 61 LYS+ HG2 3.3 12110 HA 61 LYS+ HG3 3.8 5416 HA 62 CYSS HN 3.4 15404 HA 62 CYSS HB3 6.2 446.4 HA 71 HEM QM3 8 77.6 HB2 61 LYS+ HG2 2.4 88020 HB2 61 LYS+ HG3 3.1 19804 HB2 62 CYSS HN 4.3 4114 HB2 63 GLY HN 7.5 176 HB2 64 GLY HN 6.8 551.6 HB2 64 GLY HA1 7.5 76.6 HB2 64 GLY HA2 6.2 847 HB3 61 LYS+ HG3 3.4 11044 HB3 61 LYS+ QD 6.3 708.5 HB3 62 CYSS HN 5.7 742.4 HB3 62 CYSS HB2 6.5 846.6 HB3 64 GLY HA1 7.5 163.6 HG2 61 LYS+ QD 5.9 1221 HG2 62 CYSS HN 5.3 2330 HG2 62 CYSS HA 5.7 1643 HG2 63 GLY HN 6.8 697.6 HG2 64 GLY HN 5 3246 HG3 61 LYS+ QD 6.7 485.8 HG3 62 CYSS HN 6.4 914.2 62 CYSS HN 62 CYSS HA 4.2 4460 HN 62 CYSS HB2 5.2 1286 HN 62 CYSS HB3 4.3 3898 HN 63 GLY HN 5.8 685.4 HN 64 GLY HN 5.8 1179.2 HN 71 HEM HT2A 5 3136 HN 71 HEM QT2 7.9 952 HN 71 HEM QM3 8 442.2 HA 62 CYSS HB2 3 38460 HA 62 CYSS HB3 4.2 4440 HA 63 GLY HN 3.9 6968 HA 63 GLY HA1 7.2 176.2 HA 63 GLY HA2 6.1 473 HA 71 HEM HT2A 6.5 835.4 HB2 63 GLY HN 4.9 1760.8 HB2 63 GLY HA2 7.3 169.2 HB2 71 HEM HT2A 5.3 2350 HB2 71 HEM QT2 8 769.6 HB2 71 HEM QM3 8 317.6 HB3 63 GLY HN 6.9 227.4 HB3 64 GLY HN 7.5 202.2 HB3 65 CYSS HN 7.5 138.2 HB3 71 HEM HT2A 4.5 5696 HB3 71 HEM QT2 6.8 2406 63 GLY HN 63 GLY HA1 4.2 4866 HN 63 GLY HA2 3.7 9474 HN 64 GLY HN 4.6 2694 HA1 64 GLY HN 5.1 1495.8 HA1 65 CYSS HN 6.3 799.8 HA1 66 HIS HN 6.2 824 HA1 66 HIS HB2 5.5 1613.8 HA2 64 GLY HN 4.3 4222 HA2 65 CYSS HN 7.5 276.4 HA2 66 HIS HB2 7.5 224.4 64 GLY HN 64 GLY HA1 3.8 9104 HN 64 GLY HA2 3.4 17502 HN 65 CYSS HN 3.6 11848 HN 66 HIS HN 5.8 1216.6 HA1 65 CYSS HN 4.6 2544 HA1 71 HEM HAM 6.4 938 HA1 71 HEM QM3 8 516.2 HA2 65 CYSS HN 4.3 3864 65 CYSS HN 65 CYSS HA 4.4 3732 HN 65 CYSS HB2 3.6 11280 HN 65 CYSS HB3 5.1 1396 HN 66 HIS HN 3 37590 HN 66 HIS HB2 4.8 2113 HN 71 HEM QM3 8 481.6 HA 65 CYSS HB2 5.3 1192.8 HA 65 CYSS HB3 6 557.8 HA 66 HIS HN 7.5 70.4 HA 70 HEM QM8 6.2 4064 HB2 66 HIS HN 3.7 9855 HB2 71 HEM QM3 8 330.8 HB3 70 HEM HT2A 7.5 88 66 HIS HN 66 HIS HA 4.7 2286 HN 66 HIS HB2 4.4 3672 HN 66 HIS HB3 5.6 799 HN 67 ILE HN 6.5 343.2 HA 66 HIS HB2 3.7 10520 HA 66 HIS HB3 4.4 3510 HA 67 ILE HN 3.2 22860 HA 67 ILE HA 6.4 367.8 HA 67 ILE HB 5.3 1121.6 HA 67 ILE HG13 7.5 272.4 HB2 67 ILE HN 6.6 292.8 HB2 71 HEM QM1 6.4 3372 HB3 67 ILE HN 5.3 1126.4 HB3 71 HEM HAM 7.5 92.8 67 ILE HN 67 ILE HA 4.4 3656 HN 67 ILE HB 2.9 41420 HN 67 ILE HG12 4.6 1812.8 HN 67 ILE HG13 4 4166 HN 67 ILE QG1 6.5 611.8 HN 67 ILE QD1 6.7 5007 HN 68 LYS+ HN 4.4 3674 HA 67 ILE HB 4.1 5748 HA 67 ILE HG12 5.2 850 HA 67 ILE HG13 4.8 1418.8 HA 67 ILE QG1 4.4 5389 HA 67 ILE QD1 6.4 6408 HA 68 LYS+ HN 3 35020 HB 67 ILE HG12 3.6 7864 HB 67 ILE HG13 3.6 7560 HB 67 ILE QG1 4.5 9839 HB 67 ILE QD1 6.9 4326 HB 68 LYS+ HN 4.9 1734.6 HB 68 LYS+ HA 6.8 251 HG12 67 ILE QG1 4.9 4533 HG12 67 ILE QD1 5.9 10746 HG13 67 ILE QG1 5.1 3531 HG13 67 ILE QD1 6.2 7978 QG1 67 ILE QD1 6.8 11660 QG1 68 LYS+ HN 6.2 2630 QG1 68 LYS+ HB2 8.5 54.7 QD1 68 LYS+ HN 8 512.2 68 LYS+ HN 68 LYS+ HA 4.1 5174 HN 68 LYS+ HB2 4.2 4956 HN 68 LYS+ HB3 4.7 2320 HN 68 LYS+ HG3 5.5 569.2 HA 68 LYS+ HB2 4.3 3998 HA 68 LYS+ HB3 7.5 36.2 HB3 68 LYS+ HG2 5.2 787.8 69 HEM HA71 69 HEM HA72 2.3 155400 HA71 69 HEM HB73 2.5 67840 HA71 69 HEM HB74 3.3 14370 HA71 69 HEM QM8 4.2 83270 HA72 69 HEM HB73 3.3 12220 HA72 69 HEM HB74 3.4 10828 HA72 69 HEM QM8 5.1 25550 HA72 69 HEM HGM 4 4264 HA72 69 HEM HA62 4.9 1127 HA72 69 HEM HB63 7.4 95.6 HA72 69 HEM HB64 7.5 89.8 HB73 69 HEM HB74 3.7 6296 HB73 69 HEM QM8 4.4 64320 HB73 69 HEM HA62 5.5 592.8 HB74 69 HEM HA61 4 4288 HB74 69 HEM HA62 3.6 8020 QM8 69 HEM HDM 4.6 48180 QM8 69 HEM QM1 5.8 12020 HDM 69 HEM QM1 6.3 7092 HDM 69 HEM QT2 8 530 QM1 69 HEM HT2A 6.5 6244 QM1 69 HEM QT2 5.1 26660 HT2A 69 HEM QT2 5.3 21060 HT2A 69 HEM HAM 3.4 11590 HT2A 69 HEM QM3 5.1 27190 QT2 69 HEM HAM 7.8 2056 QT2 69 HEM QM3 6.2 8389 HAM 69 HEM QM3 4.7 45870 QM3 69 HEM HT4A 6.2 7734 QM3 69 HEM QT4 4.9 32360 QM3 70 HEM QM3 7.2 1719 QM3 70 HEM QT4 5.6 7666 HT4A 69 HEM QT4 7.9 1918.2 HT4A 69 HEM QM5 7.7 2164 HT4A 70 HEM QM3 5.3 10430 QT4 69 HEM QM5 6.2 8132 QT4 70 HEM QM3 5.2 12620 HBM 69 HEM QM5 5.2 23050 QM5 69 HEM HA61 5.5 17250 QM5 69 HEM HA62 7 4012 QM5 69 HEM HB63 6.4 6890 QM5 69 HEM HB64 7.7 2224 QM5 70 HEM HT2A 7.4 1409.4 QM5 70 HEM QT2 3.9 72790 QM5 70 HEM QM3 7.7 1154 HGM 69 HEM HA61 5.1 918 HGM 69 HEM HA62 4 4324 HGM 69 HEM HB63 4.9 1145.6 HGM 69 HEM HB64 4.9 1202.8 HA61 69 HEM HA62 2.6 52040 HA61 69 HEM HB63 3.4 10510 HA61 69 HEM HB64 3.7 6290 HA62 69 HEM HB63 3.6 7608 HA62 69 HEM HB64 3.8 5830 HB63 70 HEM QT2 8 478.2 70 HEM HA71 70 HEM HA72 3.3 13968 HA71 70 HEM HB73 4.3 2482 HA71 70 HEM HB74 4.6 1726 HA71 70 HEM QM8 8 1320.8 HA72 70 HEM HB73 4.2 2854 HA72 70 HEM HB74 4.3 2550 HA72 70 HEM QM8 7 3770 HB73 70 HEM HB74 3 22980 HB73 70 HEM QM8 8 1329.4 HB74 70 HEM QM8 8 1530.6 QM8 70 HEM HDM 5.5 16260 QM8 70 HEM QM1 5.4 18450 HDM 70 HEM QM1 6.7 5018 QM1 70 HEM QT2 4.7 41900 QM1 71 HEM QM5 4.7 20890 HT2A 70 HEM QT2 7.1 3440 HT2A 70 HEM HAM 5.4 648.4 HT2A 70 HEM QM3 5.6 14570 QT2 70 HEM QM3 8 158.6 QT2 71 HEM QM5 5.4 9839 HAM 70 HEM QM3 4.9 31950 QM3 70 HEM QT4 3.9 129700 HT4A 70 HEM QM5 8 960 QT4 70 HEM HBM 5.5 17060 HBM 70 HEM QM5 6.2 8221 QM5 70 HEM HA62 4.7 41040 QM5 70 HEM HB63 8 1303 QM5 70 HEM HB64 5.8 11540 HA61 70 HEM HB64 3.6 8360 HA62 70 HEM HB63 3.3 12160 HA62 70 HEM HB64 2.4 84290 HB63 70 HEM HB64 3.2 16120 71 HEM HA71 71 HEM HA72 2.6 55080 HA71 71 HEM HB73 3.9 5150 HA71 71 HEM HB74 3.1 18890 HA71 71 HEM QM8 5.3 22130 HA71 71 HEM HGM 3.9 5142 HA71 71 HEM HA61 6.7 186.2 HA72 71 HEM HB73 3.5 8794 HA72 71 HEM HB74 4 3962 HA72 71 HEM QM8 5.9 11446 HA72 71 HEM HGM 4.1 3544 HA72 71 HEM HA62 5.3 770 HB73 71 HEM HB74 2.7 45900 HB73 71 HEM QM8 4.4 66370 HB74 71 HEM QM8 5.4 19780 HB74 71 HEM HDM 5.8 449.4 QM8 71 HEM HDM 4.3 71890 QM8 71 HEM QM1 5.5 16490 HDM 71 HEM QM1 4.3 77800 QM1 71 HEM HT2A 7 3942 QM1 71 HEM QT2 4.2 81090 HT2A 71 HEM QT2 5.4 18154 HT2A 71 HEM QM3 7.5 2656 QT2 71 HEM HAM 4.7 44440 QT2 71 HEM QM3 6.5 6050 HAM 71 HEM QM3 6.8 4824 QM3 71 HEM HT4A 7.1 3654 HT4A 71 HEM QM5 8 1058 QM5 71 HEM HA61 5.4 18640 QM5 71 HEM HA62 5.4 19010 QM5 71 HEM HB63 5.4 18140 QM5 71 HEM HB64 5.7 12810 HGM 71 HEM HA61 4.5 1977.6 HGM 71 HEM HA62 4.7 1525.2 HGM 71 HEM HB64 3.9 4763 HA61 71 HEM HA62 2.6 51960 HA61 71 HEM HB63 3.7 6400 HA61 71 HEM HB64 2.8 33680 HA62 71 HEM HB63 3.8 6004 HA62 71 HEM HB64 3.1 20030 HB63 71 HEM HB64 2.3 256500
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