NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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7723 |
1kwj   |
5279 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
1 ALA HA 4 VAL QG2 6.5 871 2 ASP- HN 2 ASP- HA 5.5 314.3 HN 2 ASP- HB3 5.5 111.3 HN 3 VAL HN 5.5 571.2 HA 2 ASP- HB2 3.7 7448 HA 2 ASP- HB3 3.7 6465.9 HA 3 VAL HN 4.4 2289.7 HA 3 VAL QG2 6.5 1122.8 HA 17 HIS HN 4.7 1148.7 HA 17 HIS HB2 4.9 1488.9 HA 17 HIS HB3 4 5384.4 HA 18 LYS+ HN 3.4 9228 HA 18 LYS+ HA 4.4 1711.5 HA 18 LYS+ HB2 3.8 6917 HA 18 LYS+ HB3 4.2 3872 HA 18 LYS+ HG3 5.4 901.6 HA 18 LYS+ QD 6.5 460.2 HA 19 ALA HN 5.5 423 HB2 3 VAL HN 5.5 128.8 HB2 18 LYS+ HB2 4.3 3391 HB3 3 VAL HN 4 4455.5 HB3 3 VAL QG2 6.4 3268.3 3 VAL HN 3 VAL HA 3.8 6346.2 HN 3 VAL HB 3.4 1116 HN 3 VAL QG1 6.2 2169.3 HN 3 VAL QG2 5 6217.4 HN 4 VAL HN 4.5 2050 HN 4 VAL QG2 6.5 786 HN 16 ASP- HA 5.5 378 HN 17 HIS HN 5.5 359.8 HN 18 LYS+ HN 5.1 734 HA 3 VAL HB 4.1 3976 HA 3 VAL QG1 4.4 2397 HA 3 VAL QG2 4.5 654 HA 4 VAL HN 2.7 7020 HA 4 VAL HB 4.8 1433 HA 4 VAL QG2 6.5 2477 HA 16 ASP- HA 3 216 HA 16 ASP- HB3 5.5 302.4 HA 17 HIS HN 3.2 2950 HA 17 HIS HB2 5.5 585.9 HB 3 VAL QG1 4 8333 HB 3 VAL QG2 4.1 6989 HB 4 VAL HN 5.3 801 HB 16 ASP- HA 5.5 319.2 QG1 4 VAL HN 5.7 7097 QG1 14 THR QG2 5.8 90 QG1 15 PHE HN 6.2 3986 QG1 16 ASP- HA 6.5 2720.9 QG1 17 HIS HN 6.5 956.9 QG2 4 VAL HN 6.5 3097 QG2 14 THR QG2 7.2 4227.3 QG2 16 ASP- HA 5.5 8547 QG2 16 ASP- HB3 6.5 741.3 QG2 17 HIS HN 6.5 1915.2 QG2 18 LYS+ HN 6.5 1098 4 VAL HN 4 VAL HB 3.5 9856 HN 4 VAL QG1 6.5 1177 HN 4 VAL QG2 5.1 5961 HN 5 THR HN 5.5 231 HN 15 PHE HB2 5.5 685 HN 15 PHE HB3 5.5 144 HN 16 ASP- HA 3.8 4150 HN 17 HIS HN 3.8 4278 HN 17 HIS HB2 5.5 67 HN 17 HIS HB3 5.5 271 HN 18 LYS+ HN 5.5 267 HB 4 VAL QG1 4 9970 HB 4 VAL QG2 3.4 1580 HB 5 THR HN 5.3 793 HB 6 TYR CZ 7.5 409 HB 15 PHE HN 4.4 2849 HB 15 PHE HB2 3.6 320 HB 15 PHE HB3 4.4 2882 HB 15 PHE CG 7.5 197 HB 69 HEM HB63 5.5 728 QG1 5 THR HN 5.5 9019 QG1 5 THR HA 6.5 1115 QG1 5 THR HB 6.5 1124 QG1 6 TYR HN 6.5 938 QG1 6 TYR CG 8.5 351 QG1 6 TYR CZ 8.5 1526 QG1 15 PHE HN 6.5 573 QG1 15 PHE HB2 6.5 575 QG1 15 PHE CG 8.5 1043 QG1 15 PHE CZ 8.5 466 QG1 69 HEM HB63 6.2 4035 QG2 5 THR HN 6.5 677 QG2 6 TYR HB2 5.8 6403 QG2 6 TYR CZ 8.5 84.5 QG2 15 PHE HN 6.5 272 QG2 15 PHE HB2 6.5 364 QG2 15 PHE CG 8.5 45.5 QG2 17 HIS HN 6.5 653 QG2 17 HIS HB2 6.5 2663 QG2 17 HIS HB3 6.5 717 QG2 18 LYS+ HN 6.5 288 QG2 69 HEM HB63 5.7 7100 QG2 69 HEM HB64 6.3 3837 5 THR HN 5 THR HA 4.5 2170 HN 5 THR HB 3.8 6116 HN 5 THR QG2 6 2513 HN 6 TYR HN 5.5 465 HA 5 THR HB 4.2 3113 HA 5 THR QG2 4.5 1240 HA 6 TYR HN 3.1 9130 HA 6 TYR HB2 5.2 890 HA 6 TYR HB3 5.5 131 HA 6 TYR CG 7.5 148.5 HA 13 VAL HN 5.5 328 HA 14 THR HN 5.1 777 HA 14 THR HA 3.9 3515 HA 14 THR QG2 6.5 2455 HA 15 PHE HN 4.2 2443 HB 5 THR QG2 4.2 5840 HB 6 TYR HN 5 1148 HB 7 GLU- HG2 5.5 591 QG2 6 TYR HN 5.7 7204 QG2 7 GLU- HN 6.5 1569 QG2 7 GLU- HG2 6.5 1685 QG2 7 GLU- HG3 6.4 3432 QG2 12 ASN HA 6.1 4583 QG2 12 ASN HB2 5.6 7941 QG2 12 ASN HB3 5.2 1740 QG2 12 ASN HD21 6.1 4497 QG2 12 ASN HD22 6.4 3298 QG2 13 VAL HN 6.5 2574 QG2 14 THR HA 5.8 5913 6 TYR HN 6 TYR HA 3.8 6003 HN 6 TYR HB2 3.5 9013 HN 6 TYR HB3 3.9 4904 HN 6 TYR CG 6 3890.5 HN 6 TYR CZ 6.5 436 HN 7 GLU- HN 5.5 246 HN 12 ASN HA 5.2 697 HN 12 ASN HB3 5.5 323 HN 13 VAL HN 3.4 8061 HN 13 VAL HA 5.5 473 HN 13 VAL QG1 6.5 3229 HN 13 VAL QG2 6.5 799 HN 14 THR HN 4.5 1577 HN 14 THR HA 4.7 1225 HN 14 THR QG2 6.5 456 HN 15 PHE HN 4.1 2654 HA 6 TYR CG 4.6 6235 HA 7 GLU- HN 5.1 1002 HB2 6 TYR CG 5.2 9700 HB2 6 TYR CZ 7.5 450.5 HB2 7 GLU- HN 5.5 301 HB2 8 ASN HD21 5 1454 HB2 8 ASN HD22 5.5 265 HB2 13 VAL HN 4 5462 HB2 13 VAL HA 5.5 292 HB2 13 VAL HB 5.5 169 HB2 71 HEM HA61 5.5 40 HB2 71 HEM HB63 4.8 1794 HB2 71 HEM HB64 5.5 669 HB3 6 TYR CG 5.3 8280 HB3 6 TYR CZ 7.5 292.5 HB3 7 GLU- HN 5.3 751 HB3 8 ASN HD21 5.1 1191 HB3 8 ASN HD22 5.5 680 HB3 12 ASN HB3 4.5 2546 HB3 13 VAL HB 5.5 238 HB3 39 ILE QG2 6.5 1156 HB3 71 HEM HA61 5.5 170 HB3 71 HEM HA62 5.2 1161 HB3 71 HEM HB63 3.8 7477 HB3 71 HEM HB64 3.5 2130 CG 6 TYR CZ 8.5 2415.5 CG 7 GLU- HN 7.5 480.5 CG 7 GLU- HG3 6.4 2924 CG 12 ASN HA 7.5 710 CG 13 VAL HN 7.5 666 CG 13 VAL QG1 8.5 2009.5 CG 13 VAL QG2 8.5 1636 CG 15 PHE HN 7.4 863 CG 15 PHE HB2 7.5 161 CG 15 PHE HB3 7.5 770.5 CG 39 ILE HB 7.5 463 CG 70 HEM QM1 8.5 220 CG 70 HEM QT2 8.5 168 CZ 13 VAL QG1 8.5 104.5 CZ 13 VAL QG2 8.5 125 CZ 15 PHE HB3 6.2 4014 CZ 15 PHE CZ 9.5 288.5 CZ 15 PHE HZ 6.6 2358 CZ 69 HEM HB63 7.5 211.5 CZ 39 ILE HN 7.5 292 CZ 39 ILE HB 6.7 1928.5 CZ 39 ILE QG2 8.5 1363 CZ 39 ILE HG12 7.5 307.5 CZ 39 ILE HG13 7.5 495 CZ 39 ILE QD1 8.5 266.5 CZ 70 HEM QM1 8.5 719 CZ 70 HEM QT2 8.5 2493.5 7 GLU- HN 7 GLU- HA 4.4 2320.5 HN 7 GLU- HB2 3.7 7210 HN 7 GLU- HB3 4 4525.5 HN 7 GLU- HG2 5 1591.8 HN 7 GLU- HG3 3.9 4639.6 HN 13 VAL HN 5.5 47.6 HA 7 GLU- HB2 3.6 7609 HA 7 GLU- HB3 3.7 6498.1 HA 7 GLU- HG2 3.7 5652.5 HA 7 GLU- HG3 4.5 2579.5 HA 8 ASN HN 3.2 8210 HA 8 ASN HD21 4.7 1922 HA 8 ASN HD22 5.5 151 HA 12 ASN HA 3.4 8321 HA 12 ASN HB3 4.4 3196 HA 12 ASN HD21 5.5 671.3 HA 12 ASN HD22 5.5 140.7 HA 13 VAL HN 5.1 714.7 HB2 7 GLU- HG2 2.9 5645 HB2 7 GLU- HG3 3.5 6864.2 HB2 8 ASN HN 5.2 859 HB3 7 GLU- HG2 2.8 7892 HB3 7 GLU- HG3 3.6 6248.2 HB3 8 ASN HN 4.7 1527 HG2 12 ASN HD21 4.8 1734.6 HG2 12 ASN HD22 4.5 2685.2 HG3 12 ASN HD22 5.5 376.6 8 ASN HN 8 ASN HA 5.5 433 HN 8 ASN HB2 5.5 603 HN 8 ASN HB3 4.9 1268 HN 8 ASN HD21 4.4 2764 HN 8 ASN HD22 5.1 1539 HN 10 ALA HN 4.7 3425 HN 11 GLY HN 4.5 4053 HN 12 ASN HN 5.5 237 HN 12 ASN HA 4.4 4514 HN 13 VAL HN 4.8 1040 HA 8 ASN HB2 3.5 9917 HA 8 ASN HB3 3.1 9200 HA 8 ASN HD21 5.5 221 HA 9 ALA HN 4.6 1855 HA 9 ALA QB 4.9 1718 HA 71 HEM HB74 5.2 1075 HB2 8 ASN HD21 3.7 5460 HB2 8 ASN HD22 4.3 2909 HB2 9 ALA HN 3.7 7024 HB2 10 ALA HN 5.5 574 HB2 71 HEM HB73 5.5 233 HB2 71 HEM HB74 4.1 4467 HB2 71 HEM HB63 5.4 876 HB2 71 HEM HB64 4.2 3971 HB3 8 ASN HD21 3.3 9001 HB3 8 ASN HD22 5.3 1292 HB3 9 ALA HN 3.4 1430 HB3 10 ALA HN 4.9 2488 HB3 11 GLY HN 5.5 35 HB3 71 HEM HB73 5.2 1101 HB3 71 HEM HB74 3.6 510 HB3 71 HEM HA62 5.5 361 HD21 11 GLY HN 5.5 514 HD21 12 ASN HA 3.9 6479 HD21 13 VAL HN 3.9 6130 HD21 13 VAL HB 5.2 1097 HD21 13 VAL QG1 6.5 602 HD21 71 HEM HB74 5.2 1130 HD21 71 HEM QM5 6.5 509.3 HD21 71 HEM HB63 5.5 670 HD22 11 GLY HN 5.4 918 HD22 12 ASN HA 3.9 6519 HD22 13 VAL HN 4.3 3661 HD22 13 VAL HB 4.7 2092.2 HD22 13 VAL QG1 6.5 363 HD22 71 HEM QM5 6.5 258.3 HD22 71 HEM HB63 5.5 574 HD22 71 HEM HB64 5.5 782.7 9 ALA HN 9 ALA HA 3.9 5041 HN 9 ALA QB 3.3 1760 HN 10 ALA HN 3.9 4992 HN 11 GLY HN 5 2307 HN 71 HEM HB73 4.8 1779 HN 71 HEM HB74 4.3 3660 HA 9 ALA QB 3.3 9510 HA 10 ALA HN 4.3 2849 HA 11 GLY HN 5.5 819 QB 10 ALA HN 4.2 4384 QB 11 GLY HN 5.3 887 QB 71 HEM HB73 6.5 2154 QB 71 HEM HB74 6.5 1089 10 ALA HN 10 ALA HA 4.1 3747 HN 10 ALA QB 4.2 4444 HN 11 GLY HN 3.2 7600 HN 11 GLY HA1 5.5 433 HN 71 HEM HB73 4.1 4628 HN 71 HEM HB74 4.2 3752 QB 11 GLY HN 5.6 806 QB 71 HEM HB74 6.5 645 QB 71 HEM QM8 5.8 6114 QB 71 HEM QM1 6.5 445 11 GLY HN 11 GLY HA1 3.3 3250 HN 11 GLY HA2 3.7 7456 HN 12 ASN HN 4.4 2464 HN 71 HEM HB3 5.5 417 HN 71 HEM HB74 5.5 235 HA1 12 ASN HN 3.1 9750 HA1 12 ASN HA 5.5 542 HA1 71 HEM HA 5.4 526 HA1 71 HEM HB2 5.5 221 HA1 71 HEM HB3 4.2 3954 HA1 67 ILE HN 4.6 1387 HA1 67 ILE HG12 4.5 2738 HA2 12 ASN HN 3.4 1500 HA2 12 ASN HA 5.3 761 HA2 71 HEM HA 4.7 1141 HA2 71 HEM HB2 4.9 1532 HA2 71 HEM HB3 3.8 7169 HA2 67 ILE HN 4.5 1490 HA2 68 LYS+ HA 5.5 350 HA2 68 LYS+ HB2 5.5 219 12 ASN HN 12 ASN HA 3.8 6199 HN 12 ASN HB2 3.6 7554 HN 12 ASN HB3 4.2 3309 HN 12 ASN HD21 5.5 914 HN 12 ASN HD22 5.5 258 HN 13 VAL HN 5 1106 HN 71 HEM HA 4.6 1411 HA 12 ASN HB2 3.8 5950 HA 12 ASN HB3 3.6 7798 HA 12 ASN HD21 4.6 2344 HA 13 VAL HN 2.8 4400 HA 13 VAL QG1 6.5 2958 HB2 12 ASN HD21 3.6 5832 HB2 12 ASN HD22 4.3 2953 HB2 13 VAL HN 4.1 3897 HB3 12 ASN HD21 3.9 4320 HB3 12 ASN HD22 4.5 2494 HB3 13 VAL HN 3.8 5839 HD21 13 VAL HN 5.5 538.3 13 VAL HN 13 VAL HA 3.8 6111 HN 13 VAL HB 4.3 2923 HN 13 VAL QG1 4.5 860 HN 13 VAL QG2 6.3 2031.4 HN 14 THR HN 4.5 2123 HN 71 HEM HA 4.9 992 HN 71 HEM QM5 6.5 668 HN 67 ILE HN 5.5 226 HA 13 VAL HB 4.1 3774 HA 13 VAL QG1 5.6 3657 HA 13 VAL QG2 4.2 5630 HA 14 THR HN 2.8 5890 HA 14 THR HA 5.5 86 HA 14 THR HB 4.7 1630 HA 71 HEM HA 3.8 4482 HA 67 ILE HN 4.3 2133 HB 13 VAL QG1 5.7 3208 HB 13 VAL QG2 5 6546 HB 71 HEM HA 4.4 2854 HB 71 HEM QM5 6.5 2549.4 HB 67 ILE HN 5.4 826 QG1 14 THR HN 6.5 220 QG1 15 PHE CZ 8.5 3010.5 QG1 71 HEM QM5 5.1 3496.7 QG1 71 HEM HB63 6.5 320 QG1 71 HEM HB64 6.5 428 QG2 14 THR HN 5.2 2360 QG2 15 PHE HN 6.5 1090 QG2 15 PHE CG 8.5 86.8 QG2 15 PHE CZ 8.5 2202 QG2 70 HEM QM8 6.5 879.2 QG2 70 HEM QM1 5 5633 QG2 65 CYSS HA 6.5 1992.9 QG2 65 CYSS HB2 6.5 3129.7 QG2 65 CYSS HB3 6.5 630 QG2 71 HEM HA 6.5 997 QG2 71 HEM QM5 5.2 1972.1 14 THR HN 14 THR HA 4 4497 HN 14 THR HB 3.4 2070 HN 14 THR QG2 5.1 5554 HN 15 PHE HN 3.4 1360 HA 14 THR HB 3.9 5384 HA 14 THR QG2 4.5 1333 HA 15 PHE HN 2.9 7590 HA 15 PHE HB2 4.4 2421 HB 14 THR QG2 3.6 3270 HB 15 PHE HN 4.8 1344 HB 70 HEM QM8 6.5 287 QG2 15 PHE HN 5.4 9346 QG2 16 ASP- HA 6.5 700.7 QG2 16 ASP- HB3 6.5 1932 15 PHE HN 15 PHE HA 4.2 3280 HN 15 PHE HB2 3.5 9912 HN 15 PHE HB3 3.8 6384 HN 15 PHE CG 7.5 679.5 HN 16 ASP- HN 5.5 445 HA 15 PHE HB2 4.9 1240 HA 15 PHE HB3 4.7 1707 HA 16 ASP- HN 3.9 5142.2 HA 16 ASP- HB3 5.5 239.4 HB2 15 PHE CG 7.1 1551 HB2 15 PHE CZ 7.5 188 HB3 15 PHE CG 6.7 2151 HB3 15 PHE CZ 7.5 1118.5 HB3 70 HEM QM1 6.5 2746 CG 15 PHE CZ 9.1 1464 CG 15 PHE HZ 7.5 1025.2 CG 69 HEM QM5 8.5 112.5 CG 39 ILE HB 7 1476 CG 39 ILE QG2 8.5 749 CG 39 ILE HG12 7.5 183 CG 39 ILE HG13 7.5 304.5 CG 39 ILE QD1 8.5 171 CG 70 HEM QM1 8.5 454 CG 70 HEM QT2 8.5 1511.5 CG 71 HEM QM5 8.5 1031.5 CZ 39 ILE QG2 8.5 425 CZ 70 HEM QM1 8.5 309.5 CZ 70 HEM QT2 8.5 180 CZ 71 HEM QM5 8.5 2571.5 CZ 71 HEM HB63 7.5 267 HZ 39 ILE QG2 6.5 1080 16 ASP- HN 16 ASP- HA 4.1 3773 HN 16 ASP- HB2 4.6 1913.8 HN 16 ASP- HB3 3.9 4746 HN 17 HIS HN 4.8 1462.3 HN 69 HEM QM3 6.5 546.2 HA 16 ASP- HB2 4.6 1967 HA 16 ASP- HB3 3.6 8680 HA 17 HIS HN 2.9 1633 HA 17 HIS HA 5.5 200.2 HA 17 HIS HB2 4.7 1590.4 HA 18 LYS+ HN 3.8 2380 HA 19 ALA HN 5.5 593 HB2 17 HIS HN 5.5 238.7 HB2 19 ALA HN 5.5 51 HB2 19 ALA QB 5.5 8679 HB3 17 HIS HN 4.8 1454.6 HB3 19 ALA HN 5.5 472 HB3 19 ALA QB 6.1 4761 17 HIS HN 17 HIS HA 4.1 3516.1 HN 17 HIS HB2 3.7 7392 HN 17 HIS HB3 3.5 115 HN 18 LYS+ HN 3.3 5190 HN 18 LYS+ HB2 5.1 1039 HN 19 ALA HN 5.5 1138 HA 17 HIS HB2 4.1 3920 HA 17 HIS HB3 4.5 2056.6 HA 18 LYS+ HN 4.4 2333 HA 19 ALA HN 5.5 76 HA 20 HIS HN 5.5 1076.7 HA 20 HIS HB2 5.5 1210.3 HA 21 ALA HN 5.5 312.9 HB2 18 LYS+ HN 3.3 2800 18 LYS+ HN 18 LYS+ HA 3.3 2700 HN 18 LYS+ HB2 3.2 5730 HN 18 LYS+ HB3 3.2 5830 HN 18 LYS+ HG2 5.5 958 HN 18 LYS+ HG3 5.5 1021 HN 18 LYS+ QD 6.5 824 HN 19 ALA HN 3.5 600 HN 19 ALA HA 5.5 280 HN 19 ALA QB 6 505 HN 20 HIS HN 5 2127 HN 21 ALA HN 5.5 236 HN 21 ALA QB 6 409 HN 22 GLU- HG3 5.5 213 HA 18 LYS+ HB2 3.2 8150 HA 18 LYS+ HB3 3.6 8711 HA 18 LYS+ HG2 4.1 3565.8 HA 18 LYS+ HG3 3.3 8223.6 HA 18 LYS+ QD 6.4 1175.3 HA 19 ALA HN 4.4 2505 HA 20 HIS HN 5.5 179.9 HA 21 ALA HN 5.2 1769.6 HA 21 ALA QB 3.8 7154 HA 22 GLU- HN 5.5 229.6 HB2 18 LYS+ HG2 3.4 7368 HB2 18 LYS+ HG3 3.2 440 HB2 18 LYS+ QD 4.5 7065 HB2 18 LYS+ QE 6.5 822 HB2 19 ALA HN 3.9 5265 HB3 18 LYS+ HG2 2.8 7600 HB3 18 LYS+ HG3 3.2 80 HB3 18 LYS+ QD 4.9 4255 HB3 19 ALA HN 3.4 1660 HB3 19 ALA QB 6.5 1128 HG2 18 LYS+ QD 4.4 7598.5 HG2 18 LYS+ QE 6.5 832.3 HG2 19 ALA HN 4.9 1611 HG3 18 LYS+ QD 4.4 7717.5 HG3 18 LYS+ QE 6.5 665.7 HG3 19 ALA HN 5.5 583 QD 18 LYS+ QE 6.3 2929.5 QD 19 ALA HN 6.5 295.5 QE 22 GLU- HG3 6.5 743.8 19 ALA HN 19 ALA HA 3.5 130 HN 19 ALA QB 3.3 5420 HN 20 HIS HN 3.5 9595 HN 20 HIS HA 5.5 261 HN 20 HIS HB2 5.5 601 HN 21 ALA HN 4.9 2437 HN 22 GLU- HN 5.5 199 HA 19 ALA QB 3.3 4140 HA 20 HIS HN 4.5 1998 HA 21 ALA HN 5.5 542 HA 22 GLU- HN 4.6 3882 HA 22 GLU- HB2 3.2 4800 HA 22 GLU- HB3 4.3 5301 HA 22 GLU- HG2 5.5 57 HA 22 GLU- HG3 5.2 1137 HA 23 LYS+ HN 5.5 836.4 QB 20 HIS HN 3.6 2255 QB 20 HIS HB2 6.5 250 QB 20 HIS HB3 6.4 3457 20 HIS HN 20 HIS HA 4.5 2108.4 HN 20 HIS HB2 4.1 3927.7 HN 20 HIS HB3 5.5 500.5 HN 21 ALA HN 3.4 1130 HN 21 ALA QB 5.7 701.4 HN 22 GLU- HN 5.5 980.7 HN 22 GLU- HB2 5.5 273 HN 69 HEM QM3 6.5 251.6 HA 20 HIS HB2 5.5 175.7 HA 21 ALA HN 5.5 414.4 HA 22 GLU- HN 5.5 125.3 HA 23 LYS+ HN 5.2 1786.4 HA 23 LYS+ HB2 5.1 1979.6 HA 23 LYS+ HG3 5.5 420 HA 23 LYS+ HD3 5.3 999.6 HA 24 LEU HN 5.5 903.7 HA 24 LEU QD2 6.5 204.4 HB2 21 ALA HN 4.3 2841.3 HB2 21 ALA QB 6.5 107.1 HB2 69 HEM QM3 6.5 1025 HB3 21 ALA HN 5.5 353.5 HB3 24 LEU QD2 6.5 520.8 HB3 69 HEM QM3 6.5 1761.3 21 ALA HN 21 ALA HA 3.6 8204 HN 21 ALA QB 3.3 3079 HN 22 GLU- HN 3.7 7266 HN 22 GLU- HA 5.5 135.1 HN 23 LYS+ HN 5.5 591.5 HN 23 LYS+ HB2 5.5 532.7 HN 69 HEM HT2A 5.5 716.7 HN 69 HEM QT2 6.5 518.5 HN 69 HEM QM3 6.5 2654.4 HA 21 ALA QB 3.4 7360 HA 22 GLU- HN 4.2 3040.8 HA 23 LYS+ HN 5.1 1918.7 HA 24 LEU HN 4.7 3082.8 HA 24 LEU HB2 4.7 3206 HA 25 GLY HN 4.5 4078.9 HA 26 CYSS HA 5.5 34.3 HA 69 HEM HT2A 4.1 4450 HA 69 HEM QT2 6.5 590.8 HA 69 HEM HAM 4.3 3381 HA 69 HEM QM3 4.4 2760 QB 22 GLU- HN 3.7 252.2 QB 22 GLU- HA 5.6 784.7 QB 22 GLU- HB2 6.5 297.5 QB 22 GLU- HB3 6.5 29.4 QB 22 GLU- HG2 6.5 491.4 QB 22 GLU- HG3 6.5 711.2 QB 23 LYS+ HN 6.4 293.3 QB 25 GLY HN 6.2 341.6 QB 26 CYSS HN 6.5 51.8 QB 26 CYSS HA 6.5 1628.9 QB 69 HEM HT2A 5 5750 QB 69 HEM QT2 4.6 6964 QB 69 HEM HAM 5.2 2649 QB 69 HEM QM3 5.2 2469.8 22 GLU- HN 22 GLU- HA 3.5 9128 HN 22 GLU- HB2 3.3 3286 HN 22 GLU- HB3 3.7 6523.3 HN 22 GLU- HG2 3.5 7126 HN 22 GLU- HG3 4.2 3414.6 HN 23 LYS+ HN 3.5 360 HN 24 LEU HN 5.5 553.7 HA 22 GLU- HB2 3.5 9177 HA 22 GLU- HB3 3.4 1823 HA 22 GLU- HG2 4.6 2209.2 HA 22 GLU- HG3 3.6 6314 HA 23 LYS+ HN 4.4 2330.3 HA 24 LEU HN 5.5 166.6 HA 69 HEM QT2 6.5 289.1 HB2 22 GLU- HG2 2.6 3044 HB2 22 GLU- HG3 2.9 5386 HB2 23 LYS+ HN 3.6 8904 HB3 22 GLU- HG2 3.6 6112.4 HB3 23 LYS+ HN 4 4047.4 HG2 23 LYS+ HN 5.5 424.9 23 LYS+ HN 23 LYS+ HA 3.6 7896 HN 23 LYS+ HB2 3.5 9072 HN 23 LYS+ HB3 3.5 9366 HN 23 LYS+ HG2 4.7 2138.5 HN 23 LYS+ HG3 3.7 5657.4 HN 23 LYS+ HD3 4.6 2298.1 HN 24 LEU HN 3.2 8312 HN 24 LEU HA 5.5 249.9 HN 24 LEU HB2 5.2 910 HN 24 LEU QD2 6.5 275.8 HN 25 GLY HN 5.4 1341.2 HA 23 LYS+ HB2 3.6 8386 HA 23 LYS+ HB3 3.5 9793 HA 23 LYS+ HG2 3.6 6220.9 HA 23 LYS+ HG3 3.9 4230.1 HA 23 LYS+ HD2 5.5 52.5 HA 23 LYS+ HD3 4.9 1820 HA 24 LEU HN 4.6 1951.6 HB2 23 LYS+ HG2 4.4 2675.4 HB2 23 LYS+ HG3 3.3 8617 HB2 23 LYS+ HD3 3.7 5579.7 HB2 24 LEU HN 3.9 4727.1 HB2 24 LEU HA 5.5 84.7 HB3 23 LYS+ HG2 3.8 4678.1 HB3 23 LYS+ HG3 3.3 8512 HB3 23 LYS+ HD2 3.9 4277.7 HB3 23 LYS+ HD3 3.8 4854.5 HB3 24 LEU HN 4 4137 HB3 24 LEU HA 5.5 151.2 HB3 24 LEU QD1 6.5 172.2 HB3 24 LEU QD2 6.5 200.9 HG2 23 LYS+ HD2 5.1 1474.9 HG2 23 LYS+ HD3 3.5 6497.4 HG2 24 LEU QD2 6.5 809.2 HG3 23 LYS+ HD2 4.1 3560.2 HG3 24 LEU HN 5.4 846.3 24 LEU HN 24 LEU HA 3.8 5880 HN 24 LEU HB2 3.4 871 HN 24 LEU HB3 3.9 4661.3 HN 24 LEU HG 3.3 8288 HN 24 LEU QD1 6.5 1220.8 HN 24 LEU QD2 5.9 2739.8 HN 25 GLY HN 3.2 8151 HN 25 GLY HA1 5.2 879.9 HN 69 HEM QM3 6.5 2916.9 HA 24 LEU HB2 3.6 8533 HA 24 LEU HB3 3.3 4728 HA 24 LEU HG 3.5 6612.9 HA 24 LEU QD1 6.5 1109.5 HA 24 LEU QD2 4 9040 HA 25 GLY HN 4.3 2883.3 HA 28 ALA QB 3.8 6383.3 HB2 24 LEU HG 4.2 3251.5 HB2 24 LEU QD1 5.5 3999.8 HB2 24 LEU QD2 4.6 9128 HB2 25 GLY HN 4 4499.6 HB2 28 ALA QB 5.7 6566 HB2 69 HEM QM3 5.2 1596.2 HB3 24 LEU HG 4.2 3203.2 HB3 24 LEU QD1 5.3 4918.9 HB3 24 LEU QD2 3.9 2995 HB3 25 GLY HN 4.4 2446.5 HB3 28 ALA HN 5.5 186.2 HB3 28 ALA QB 5.2 2173 HB3 69 HEM QM3 5.6 7499.1 HB3 70 HEM QT4 6.5 1412.6 HG 24 LEU QD1 5.7 3395.7 HG 24 LEU QD2 4.6 136 HG 25 GLY HN 5.5 767.9 QD1 25 GLY HN 6.5 662.2 QD1 69 HEM QM3 5.7 7077 QD1 69 HEM QT4 6.5 354.2 QD1 70 HEM QM3 6.5 954.6 QD1 70 HEM QT4 6.3 3759 QD2 70 HEM QT4 5.7 7231 QD2 70 HEM QM5 5.7 6955.2 25 GLY HN 25 GLY HA1 3.2 8382 HN 25 GLY HA2 3.4 794 HN 26 CYSS HN 4 4090.1 HN 69 HEM QT2 6.5 84.7 HN 69 HEM QM3 6.5 2033.6 HA1 26 CYSS HN 3.5 66 HA1 26 CYSS HA 5.3 766.5 HA1 27 ASP- HN 5.5 542.5 HA1 28 ALA HN 5.5 1251.6 HA1 69 HEM HT2A 4.6 2190 HA2 26 CYSS HN 3.5 9240 HA2 27 ASP- HN 5.5 681.8 HA2 28 ALA HN 5.5 525 26 CYSS HN 26 CYSS HA 3.7 6489.7 HN 26 CYSS HB2 3.6 8526 HN 26 CYSS HB3 4.4 2338 HN 27 ASP- HN 3.8 5899.6 HN 28 ALA QB 4.7 1715.7 HN 69 HEM HT2A 3.6 9534 HN 69 HEM QT2 6.5 1689.1 HN 69 HEM HAM 5.5 812 HA 26 CYSS HB2 3.3 3097 HA 26 CYSS HB3 3.6 8694 HA 27 ASP- HN 4.7 1591.1 HA 27 ASP- HA 5.5 84 HA 28 ALA HN 5.5 665.7 HA 69 HEM HT2A 3.4 5530 HA 69 HEM QT2 6.5 949.9 HA 69 HEM HAM 4.3 3290 HA 69 HEM QM3 5.2 1514.3 HB2 27 ASP- HN 3.7 7490 HB2 27 ASP- HA 5.5 335.3 HB2 69 HEM HB3 5.5 25.2 HB2 69 HEM HT2A 4.1 4533 HB3 27 ASP- HN 4.4 2371.6 HB3 29 CYSS HB2 4.7 2044.7 HB3 69 HEM HB2 5.5 510.3 HB3 69 HEM HB3 5.5 347.6 HB3 69 HEM QM1 6.5 1101.1 HB3 69 HEM HT2A 3.9 5861 HB3 69 HEM QT2 6.5 511 27 ASP- HN 27 ASP- HA 3.8 6337.1 HN 27 ASP- QB 4.4 5687.5 HN 28 ALA HN 3.4 1949 HN 28 ALA HA 5.5 284.9 HN 28 ALA QB 5.1 1484.7 HN 29 CYSS HN 5.5 589.4 HN 69 HEM HN 5.5 786.8 HN 69 HEM HT2A 5.5 195 HA 27 ASP- QB 3.9 3552 HA 28 ALA HN 4.2 3053.4 HA 28 ALA QB 6.5 308 HA 29 CYSS HN 4.9 2599.1 HA 69 HEM HN 4.1 7442.4 HA 69 HEM HA 5.5 261.8 HA 69 HEM HB2 5.4 1471.4 HA 69 HEM HB3 5.5 915.6 HA 31 GLU- HA 5.5 40.6 HA 32 GLY HN 5.5 438.2 QB 28 ALA HN 6.2 931 QB 69 HEM HN 6.5 356.7 28 ALA HN 28 ALA HA 3.4 934 HN 28 ALA QB 3.3 6600 HN 29 CYSS HN 3.2 5631 HN 69 HEM HN 5.3 1519.7 HN 69 HEM QM3 6.5 2082.2 HN 70 HEM QT4 6.5 326.9 HA 28 ALA QB 3.3 5322 HA 29 CYSS HN 4.4 2451.4 HA 69 HEM HN 5.5 332.5 HA 70 HEM QT4 6.5 1707.3 QB 29 CYSS HN 3.9 7490 QB 69 HEM HN 5.3 911 QB 69 HEM QM3 5.1 3700.4 QB 70 HEM QM3 6.5 632 QB 70 HEM QT4 5.4 9303 29 CYSS HN 29 CYSS HA 3.8 5732.3 HN 29 CYSS HB2 4.9 1315.3 HN 29 CYSS HB3 5.5 481.6 HN 69 HEM HN 3 3184 HN 69 HEM HA 5.5 468.3 HN 69 HEM HB2 4.9 1211.7 HN 69 HEM HB3 5.1 951.7 HN 69 HEM QM3 6.5 1605.9 HN 70 HEM QT4 6.5 221.2 HA 29 CYSS HB2 5.5 280 HA 29 CYSS HB3 5.1 1036 HA 69 HEM HN 4.1 3899.7 HB2 69 HEM HN 5.2 872.9 HB2 69 HEM HT4A 5 1430 HB2 37 ILE QD1 6.5 1633 HB3 69 HEM HN 5.1 1013 HB3 69 HEM HT4A 4.3 3504 HB3 69 HEM QT4 6.5 394.8 HB3 37 ILE QD1 6.5 1830 69 HEM HN 69 HEM HA 4 4472.3 HN 69 HEM HB2 3.8 5984.3 HN 69 HEM HB3 4 4065.6 HN 31 GLU- HN 5.4 691.6 HA 69 HEM HB2 3.6 7868 HA 69 HEM HB3 3.3 4611.8 HA 31 GLU- HN 3.4 2334 HA 31 GLU- HA 4.3 2611 HA 31 GLU- HB3 4.8 1462.3 HA 34 PRO HA 5.5 443.8 HA 37 ILE QD1 6.5 2692 HB2 31 GLU- HN 5 1166.2 HB2 34 PRO HA 5 2118.2 HB2 34 PRO HG3 5.2 1112.3 HB2 34 PRO HD3 5.5 531.3 HB3 31 GLU- HN 4.3 2927.4 HB3 31 GLU- HA 5.5 135.8 HB3 31 GLU- HB3 5.5 50.4 HB3 34 PRO HA 4 8185.8 HB3 34 PRO HG3 4.8 1824.3 HB3 34 PRO HD3 5.5 303.8 HB3 35 ALA HN 5.3 989.9 HA71 69 HEM HA72 2.3 334 HA71 69 HEM HB73 2.6 1735 HA71 69 HEM QM8 4 8595.5 HA71 69 HEM HA62 5.5 833.7 HA71 35 ALA HA 4.6 2354.1 HA71 36 LYS+ HN 4.3 3241.7 HA71 36 LYS+ HB2 5.5 694.4 HA71 36 LYS+ HB3 4.6 2270.1 HA71 36 LYS+ HG2 5.5 452.9 HA72 69 HEM HB73 3 2257 HA72 69 HEM QM8 4.8 7866.6 HA72 35 ALA HA 5 1437.1 HA72 36 LYS+ HN 4.8 1807.4 HA72 36 LYS+ HB2 5 1365.7 HA72 36 LYS+ HB3 4.7 1949.5 HA72 36 LYS+ HG2 5.5 620.9 HB73 69 HEM HB74 4.6 2328.2 HB73 69 HEM QM8 4.2 5330 HB73 36 LYS+ HN 5.5 280.7 QM8 69 HEM HDM 4 9374.6 QM8 69 HEM QM1 5 6037.5 QM8 34 PRO HA 6.5 1603.6 QM8 34 PRO HG2 6.5 733.7 QM8 34 PRO HD2 5.8 6150.9 QM8 34 PRO HD3 6.3 3731.7 QM8 35 ALA HN 6.5 559.4 QM8 35 ALA HA 5.8 6308.4 QM8 35 ALA QB 6.5 1902.4 QM8 36 LYS+ HN 6.5 1221.6 HDM 69 HEM QM1 4.3 3832 QM1 69 HEM HT2A 6.3 1910 QM1 69 HEM QT2 3.6 1199 QM1 34 PRO HG2 6.5 836.5 QM1 34 PRO HG3 6.5 292.6 QM1 34 PRO HD3 5.8 5954.2 HT2A 69 HEM QT2 3.7 9930 HT2A 69 HEM HAM 2.7 890 HT2A 69 HEM QM3 4.7 8465.1 QT2 69 HEM HAM 5.4 4181.8 QT2 69 HEM QM3 5.6 3591 HAM 69 HEM QM3 4.3 4177.1 QM3 69 HEM HT4A 5.8 3114.3 QM3 70 HEM QM3 6.5 260 HT4A 69 HEM QT4 4.3 3530 HT4A 69 HEM QM5 6.1 2302 HT4A 37 ILE QD1 6.5 254 HT4A 70 HEM QM3 6.5 2590.8 QT4 69 HEM QM5 4.9 6765 QM5 69 HEM HA61 5.4 4325 QM5 69 HEM HA62 4.4 2080 QM5 69 HEM HB63 5.2 5068 QM5 69 HEM HB64 5.9 2643 QM5 37 ILE HN 6.5 2205 QM5 37 ILE HB 5.1 2900 QM5 37 ILE QG2 6.1 4722 QM5 37 ILE QD1 6.5 2935 QM5 39 ILE HN 6.5 82 QM5 39 ILE HA 6.5 445 QM5 39 ILE HB 6.5 1157 QM5 39 ILE QG2 6.5 1191 QM5 39 ILE HG12 5.9 5801 QM5 39 ILE HG13 6.1 4687 QM5 39 ILE QD1 4.9 8050 QM5 48 ALA QB 6.5 781 QM5 70 HEM HT2A 6.5 710 QM5 70 HEM QT2 5.1 3263 HA61 69 HEM HA62 2.3 6830 HA61 69 HEM HB63 3 3150 HA61 69 HEM HB64 3.5 6636 HA61 36 LYS+ HB2 3.8 7657 HA61 37 ILE HN 3.8 7028 HA61 37 ILE HB 4.8 1759 HA61 37 ILE HG13 5.3 980 HA61 39 ILE HG12 5.5 285 HA61 39 ILE HG13 5.5 639 HA61 39 ILE QD1 6.5 766 HA62 69 HEM HB63 3.3 8997 HA62 69 HEM HB64 3.7 5645 HA62 36 LYS+ HB2 4.2 3799 HA62 37 ILE HN 3.8 7861 HA62 37 ILE HB 4.1 4686 HA62 39 ILE HG12 4.5 2817 HA62 39 ILE HG13 5.2 1044 HA62 39 ILE QD1 6.5 527 HB63 37 ILE HN 5.5 673 HB63 37 ILE HB 5.5 302 HB63 39 ILE HG12 5.5 498 HB63 39 ILE QD1 6.5 463 HB63 70 HEM QT2 6.5 363 HB64 36 LYS+ HB2 4.5 2543.8 HB64 37 ILE HN 5.5 481 31 GLU- HN 31 GLU- HA 3.9 4945.5 HN 31 GLU- HB2 4.7 1541.4 HN 31 GLU- HB3 3.5 8967 HN 32 GLY HN 4 4634.7 HA 31 GLU- HB2 4.3 2677.5 HA 31 GLU- HB3 3.2 7990 HA 32 GLY HN 3.3 2978 HB2 32 GLY HN 4.9 1201.9 HB3 32 GLY HN 4.1 3738 32 GLY HN 32 GLY HA1 3.9 5154.8 HN 32 GLY HA2 4.5 1983.8 HN 33 THR HN 5.5 237.3 33 THR HN 33 THR HB 4.3 2935.8 HN 33 THR QG2 6.5 1409.8 HA 34 PRO HD2 5.5 421.4 HB 33 THR QG2 4.1 6324 HB 34 PRO HA 5.5 73.5 QG2 34 PRO HG2 6.5 2135 QG2 35 ALA QB 7.5 1281.7 34 PRO HA 34 PRO HB3 4.2 3204.6 HA 34 PRO HG2 5.5 581 HA 34 PRO HG3 5.5 476.7 HA 34 PRO HD2 5.5 906.5 HA 34 PRO HD3 5.5 751.1 HA 35 ALA HN 3.3 3020 HA 35 ALA QB 5.6 783.3 HG2 34 PRO HD2 5.1 1479.8 HG2 34 PRO HD3 2.9 3804 HG3 34 PRO HD2 5.5 779.8 HG3 34 PRO HD3 3.3 9002 35 ALA HN 35 ALA HA 4.4 2514.4 HN 35 ALA QB 4.2 4912.6 HA 35 ALA QB 3.3 2365 HA 36 LYS+ HN 3.3 4007 HA 36 LYS+ HA 5.5 357.7 HA 36 LYS+ HB3 5.5 417.2 HA 36 LYS+ HG2 5.5 508.9 QB 36 LYS+ HN 3.4 7927 QB 36 LYS+ HB3 6.5 836.5 36 LYS+ HN 36 LYS+ HA 3.8 6039.6 HN 36 LYS+ HB2 4.7 1631 HN 36 LYS+ HB3 3.2 5540 HN 36 LYS+ HG2 2.9 5477 HN 36 LYS+ HG3 5.5 913.5 HN 37 ILE HN 5.5 532 HA 36 LYS+ HB2 3.4 612 HA 36 LYS+ HB3 3.5 381 HA 36 LYS+ HG2 3.5 7021 HA 36 LYS+ HG3 5.5 1026.2 HA 36 LYS+ HD2 5.4 1176.7 HA 37 ILE HN 2.9 8640 HA 37 ILE HA 5.5 518 HA 37 ILE HB 4.8 1424 HB2 36 LYS+ HG2 2.9 5085 HB2 36 LYS+ HG3 3 2271 HB2 36 LYS+ HD2 3.1 1081 HB2 36 LYS+ HE2 4.4 2767.8 HB2 36 LYS+ HE3 3.9 4556.3 HB2 37 ILE HN 3.6 7706 HB2 38 ALA HA 5.5 894 HB3 36 LYS+ HG2 3.1 815 HB3 36 LYS+ HG3 4.5 2384.2 HB3 37 ILE HN 4.6 1808 HG2 36 LYS+ HD2 3.6 6402.2 HG2 36 LYS+ HD3 4.7 2165.1 HG2 37 ILE HN 5.1 1255 HG3 36 LYS+ HD3 5.5 406.7 HG3 36 LYS+ HE2 5.1 1527.4 HG3 36 LYS+ HE3 4.8 1913.1 HD2 36 LYS+ HE2 5 1602.3 HD2 36 LYS+ HE3 5.4 1211.7 37 ILE HN 37 ILE HA 5.5 492 HN 37 ILE HB 3.5 9575 HN 37 ILE QG2 6.5 1019 HN 37 ILE HG12 5.3 1263 HN 37 ILE HG13 5 1682 HN 37 ILE QD1 6 2565 HN 38 ALA HN 5.5 239 HA 37 ILE HB 4 4589 HA 37 ILE QG2 4.4 1990 HA 37 ILE HG12 3.4 7951 HA 37 ILE HG13 3.9 4240 HA 37 ILE QD1 6.5 1151 HA 38 ALA HN 3.1 1380 HB 37 ILE QG2 3.9 1960 HB 37 ILE HG12 3.9 4228 HB 37 ILE HG13 3.6 5825 HB 37 ILE QD1 4.8 7469 HB 38 ALA HN 5.1 971 HB 39 ILE HG12 5.5 791 HB 39 ILE QD1 6.5 2808 QG2 37 ILE HG12 4.7 9009 QG2 37 ILE HG13 5.1 5917 QG2 37 ILE QD1 5.3 3820 QG2 38 ALA HN 5.2 1660 QG2 38 ALA QB 6.9 5464 QG2 39 ILE HG12 4.9 7270 QG2 43 SER HB3 6.5 2591 HG12 37 ILE QD1 4.7 8464 HG12 38 ALA HN 4.9 1600 HG13 37 ILE QD1 5.3 4723 HG13 38 ALA HN 5.5 270 QD1 38 ALA HN 6.5 411 QD1 39 ILE QD1 7.5 241 QD1 48 ALA QB 7.5 2766 38 ALA HN 38 ALA HA 3.2 6300 HN 38 ALA QB 3.3 1680 HN 39 ILE HN 4.9 1279 HA 38 ALA QB 3.3 4870 HA 39 ILE HN 2.8 6030 HA 39 ILE HA 5.2 908 HA 39 ILE HB 4.7 1720 HA 39 ILE QG2 6.5 846 HA 39 ILE HG12 4.8 1754 HA 39 ILE QD1 6.5 1158 QB 39 ILE HN 3.9 7139 39 ILE HN 39 ILE HA 4 4626 HN 39 ILE HB 3.2 6370 HN 39 ILE QG2 5.5 3801 HN 39 ILE HG12 3.3 8322 HN 39 ILE HG13 3.8 5078 HN 39 ILE QD1 5.8 2998 HN 40 ASP- HN 4.9 1320 HA 39 ILE HB 3.9 5257 HA 39 ILE QG2 4.4 2530 HA 39 ILE HG12 4.3 2876 HA 39 ILE HG13 4.5 2425 HA 39 ILE QD1 3.8 3860 HA 40 ASP- HN 3 4460 HA 43 SER HB2 5.5 387 HA 44 ALA HN 4.8 1025 HA 44 ALA QB 6.5 608 HA 48 ALA QB 6.5 1912 HA 70 HEM QT2 6.5 427 HA 71 HEM QM5 6.5 1055.7 HB 39 ILE QG2 3.7 9520 HB 39 ILE HG12 2.7 460 HB 39 ILE HG13 2.8 7400 HB 39 ILE QD1 4.8 8004 HB 40 ASP- HN 4.4 2415 HB 44 ALA QB 6.5 923 HB 70 HEM QT2 6.5 1228 HB 71 HEM QM5 6.5 3168.9 QG2 39 ILE HG12 4.5 320 QG2 39 ILE HG13 4.2 4620 QG2 39 ILE QD1 4.7 8200 QG2 40 ASP- HN 5.5 8444 QG2 40 ASP- HA 6.3 3770 QG2 43 SER HB3 6.5 2011 QG2 44 ALA HN 6.5 1507 QG2 44 ALA HA 6.5 1390 QG2 44 ALA QB 6.2 1840 QG2 48 ALA QB 7.5 2438 QG2 70 HEM QM1 6.5 66 QG2 70 HEM QT2 5.4 9138 QG2 71 HEM QM5 5 4807.1 QG2 71 HEM HA61 6.5 3076 QG2 71 HEM HA62 6.5 2787 QG2 71 HEM HB63 6.5 500 QG2 71 HEM HB64 6.5 2217 HG12 39 ILE QD1 3.8 3820 HG12 40 ASP- HN 5.5 275 HG12 70 HEM QT2 6.4 3524 HG13 39 ILE QD1 3.6 3080 HG13 40 ASP- HN 5.5 457 HG13 70 HEM QT2 6.1 4495 HG13 71 HEM QM5 6.5 814.8 QD1 40 ASP- HN 6.2 4229 QD1 43 SER HB2 6.5 2580 QD1 43 SER HB3 6.5 2564 QD1 44 ALA HN 6.5 608 QD1 44 ALA HA 6.5 1674 QD1 44 ALA QB 6.9 5408 QD1 48 ALA HN 6.5 188 QD1 48 ALA QB 5.5 320 QD1 70 HEM QT2 4.9 6390 QD1 71 HEM QM5 6.5 2213.4 40 ASP- HN 40 ASP- HA 3.7 6842 HN 40 ASP- HB2 4.6 1827 HN 40 ASP- HB3 4.9 1203 HN 43 SER HN 5.2 1815 HN 43 SER HB2 5.5 298 HN 44 ALA HN 4.5 4313 HN 44 ALA QB 5.3 867 HN 48 ALA QB 6.5 419 HN 71 HEM QM5 6.5 830.6 HA 40 ASP- HB2 3.2 7490 HA 40 ASP- HB3 3.2 6710 HA 41 LYS+ HN 3.1 8640 HA 41 LYS+ QG 6.5 309.5 HA 71 HEM HA61 5.5 166 HA 71 HEM HA62 4.7 2023 HA 71 HEM HB63 5.5 777 HA 71 HEM HB64 5 1383 HB2 41 LYS+ HN 3.3 5220 HB2 42 LYS+ HN 5 2279 HB3 41 LYS+ HN 3.7 6858 HB3 42 LYS+ HN 5.5 1123 41 LYS+ HN 41 LYS+ HA 4 4155 HN 41 LYS+ QB 4.4 6200 HN 41 LYS+ QG 4.9 4462.5 HN 42 LYS+ HN 4 4296 HA 41 LYS+ QB 4.3 3783 HA 41 LYS+ QG 5.1 2464.4 HA 42 LYS+ HN 4.9 1220.8 HA 44 ALA QB 4.9 1360 QB 41 LYS+ QG 5.4 7533.7 QB 42 LYS+ HN 5 4365.9 QB 44 ALA HN 6.5 115 QG 42 LYS+ HN 6.1 1308.3 42 LYS+ HN 42 LYS+ HA 3.6 8614 HN 42 LYS+ QB 3.8 6830 HN 42 LYS+ QG 4.8 4674.5 HN 43 SER HN 3.4 750 HN 43 SER HA 5 1103 HN 44 ALA HN 5.5 898 HA 42 LYS+ QB 4.4 980 HA 42 LYS+ QG 4.5 4585.5 HA 43 SER HN 4.6 1825 HA 44 ALA HN 5.5 303 HA 45 HIS HN 5.5 786 HA 45 HIS HB2 4.9 2419.2 HA 45 HIS HB3 5.5 973.1 QB 42 LYS+ QG 5.3 8715 QB 43 SER HN 4.9 4697 QG 42 LYS+ HD2 4.4 7640 QG 43 SER HN 6.5 529.5 43 SER HN 43 SER HA 3.9 5222 HN 43 SER HB2 3.7 6829 HN 43 SER HB3 4.1 3537 HN 44 ALA HN 2.9 8060 HA 43 SER HB2 4.3 2903 HA 43 SER HB3 4.5 2071 HA 44 ALA HN 4.5 2025 HA 46 LYS+ HN 4.6 3841 HA 47 ASP- HN 5.1 1868 HA 48 ALA HN 4 3011 HB2 44 ALA HN 4.7 1577 HB2 48 ALA HN 5.5 437 HB2 48 ALA QB 5.6 7517 HB3 44 ALA HN 4.8 1459 HB3 48 ALA HN 4.7 2115 HB3 48 ALA QB 4.8 8390 44 ALA HN 44 ALA HA 3.7 7322 HN 44 ALA QB 3.3 9935 HN 45 HIS HN 3.9 4896 HN 48 ALA QB 4.9 1488 HN 71 HEM QM5 6.5 674.9 HA 44 ALA QB 3.3 6751 HA 45 HIS HN 4.8 1396 HA 48 ALA QB 3.6 8868 HA 50 LYS+ HG3 5.5 186 HA 71 HEM QM5 6.5 2280.6 QB 45 HIS HN 4.1 5622 QB 45 HIS HB2 6.5 306.6 QB 45 HIS HB3 6.5 62.4 QB 48 ALA QB 7.5 1253 QB 50 LYS+ HN 6.5 286 QB 70 HEM QT2 6.5 725 QB 71 HEM QM5 5 4544.6 QB 71 HEM HA62 6.5 1436.7 45 HIS HN 45 HIS HA 3.8 5850.6 HN 45 HIS HB2 3.7 6554.1 HN 45 HIS HB3 4 4323.9 HN 46 LYS+ HN 3.4 2540 HN 48 ALA QB 6.5 34 HA 45 HIS HB2 4.4 2486.4 HA 45 HIS HB3 4 4454.1 HA 46 LYS+ HN 4.3 2856 HA 50 LYS+ HN 4.9 953 HA 50 LYS+ HB2 4.6 2225.3 HA 50 LYS+ HB3 5.1 1215 HA 50 LYS+ HG2 5.5 606.2 HB2 46 LYS+ HN 4.6 1937.9 HB3 46 LYS+ HN 5.2 857.9 46 LYS+ HN 46 LYS+ HA 3.8 6181 HN 46 LYS+ HB2 3.9 4942 HN 46 LYS+ HB3 4 4061 HN 46 LYS+ HG2 5.5 1144 HN 46 LYS+ HG3 4 4085 HN 47 ASP- HN 4.4 2361 HN 48 ALA HN 4.6 3488 HN 48 ALA QB 5.8 490 HN 50 LYS+ HN 5.5 812 HN 50 LYS+ HB3 5.5 1096 HA 46 LYS+ HB2 3.4 790 HA 46 LYS+ HB3 3.6 7786 HA 46 LYS+ HG2 3 2770 HA 46 LYS+ HG3 3.7 5539 HA 47 ASP- HN 4.5 2224 HA 47 ASP- HA 4.7 1544 HB2 46 LYS+ HG2 3.3 8724 HB2 46 LYS+ HG3 3.9 4606 HB2 47 ASP- HN 3.4 1650 HB3 46 LYS+ HG2 2.9 4260 HB3 46 LYS+ HG3 3.8 4809 HB3 47 ASP- HN 3 7180 HB3 48 ALA HN 5.5 860 HG2 47 ASP- HN 3.9 6247 HD2 47 ASP- HN 5.1 1288 47 ASP- HN 47 ASP- HA 4 4050 HN 47 ASP- HB2 3.5 9770 HN 47 ASP- HB3 3.1 2250 HN 48 ALA HN 3.1 8530 HN 48 ALA QB 6.3 378 HA 47 ASP- HB2 3.3 2920 HA 47 ASP- HB3 3.7 6491 HA 48 ALA HN 4.7 1620 HA 51 THR HB 3.8 890 HA 51 THR QG2 6 5075 HB2 48 ALA HN 5.1 954.8 HB3 48 ALA HN 4.3 2954.7 48 ALA HN 48 ALA HA 3.5 584 HN 48 ALA QB 3.3 500 HA 48 ALA QB 3.3 8940 HA 52 CYSS HN 5.5 1007 HA 70 HEM QM3 6.5 393 QB 50 LYS+ HN 6.3 305 QB 70 HEM HT2A 6.5 196 QB 70 HEM QT2 6.5 2246 49 CYSS HB2 71 HEM HT4A 5.5 590.1 HB3 51 THR HN 4.7 3240 HB3 70 HEM QM1 6.5 1715.7 HB3 70 HEM QT2 6.5 370 50 LYS+ HN 50 LYS+ HA 5.5 234 HN 50 LYS+ HB2 3.3 3750 HN 50 LYS+ HB3 3.5 60 HN 50 LYS+ HG2 3.9 4233 HN 50 LYS+ HG3 2.9 3820 HN 50 LYS+ QD 6.5 757.5 HN 50 LYS+ HE2 5.5 440 HN 50 LYS+ HE3 5.5 698 HN 51 THR HN 4 4506 HN 70 HEM HAM 5.5 276 HA 50 LYS+ HB2 4.6 1767.5 HA 50 LYS+ HB3 4.2 3264 HA 50 LYS+ HG2 4.7 2149.7 HA 51 THR HN 4.2 3008 HB2 50 LYS+ QD 5 4116 HB2 50 LYS+ HE2 4.5 2511.6 HB2 50 LYS+ HE3 3.4 7392 HB2 51 THR HN 4.3 2933 HB3 50 LYS+ HG2 3.4 8069 HB3 50 LYS+ QD 6.4 1215 HB3 50 LYS+ HE2 3.3 8407 HB3 50 LYS+ HE3 3.8 4768 HB3 51 THR HN 3.7 6469 HG2 50 LYS+ QD 4.6 6037.5 HG2 71 HEM QM3 6.5 2417.8 HD2 50 LYS+ HE2 4.9 1717.8 QD 50 LYS+ HE2 6.5 565.6 QD 50 LYS+ HE3 5.9 1758.1 QD 71 HEM QT2 7.5 0 QD 71 HEM QM3 7.5 1503.6 51 THR HN 51 THR HA 3.7 7334 HN 51 THR HB 3.3 3470 HN 51 THR QG2 5.6 3532 HN 52 CYSS HN 3.9 5039 HN 70 HEM HN 4.6 3683 HA 51 THR HB 4.5 1999 HA 51 THR QG2 4.2 4890 HA 52 CYSS HN 4.7 1693 HA 54 LYS+ HN 5.1 2055 HA 54 LYS+ HG3 5.5 538 HA 54 LYS+ HD2 5.5 782 HB 51 THR QG2 4.2 5050 HB 52 CYSS HN 3.8 6236 QG2 52 CYSS HN 6 4990 QG2 54 LYS+ HD2 5.5 8836 52 CYSS HN 52 CYSS HA 3.7 7333 HN 52 CYSS HB2 3.3 3090 HN 52 CYSS HB3 4.1 3488 HN 70 HEM HN 4.8 1396 HN 70 HEM QM3 6.5 2054.7 HN 70 HEM QT4 6.5 797 HA 52 CYSS HB2 3.4 1600 HA 52 CYSS HB3 4.2 3163 HA 70 HEM HN 5 1141 HA 70 HEM QM3 6.5 536.1 HB2 70 HEM HN 4.4 2313 HB2 70 HEM QM3 5.5 8226 HB2 70 HEM QT4 5.5 8148 HB3 70 HEM HN 4.5 2078 HB3 70 HEM QM3 6.5 2520 HB3 70 HEM QT4 5 5090 70 HEM HN 70 HEM HB2 4.5 2196.6 HN 70 HEM HB3 5.5 379.7 HN 54 LYS+ HN 3.9 4940 HN 55 SER HN 5 2354 HB2 54 LYS+ HN 4.7 1596.2 HB2 54 LYS+ HG2 3.6 596.6 HB3 54 LYS+ HN 5.5 417.3 HB3 54 LYS+ HG3 3.9 5980.8 HA71 70 HEM HB73 5.5 751.8 HA71 70 HEM HB74 5.5 620.2 HA72 70 HEM HB73 4.7 2074.1 HA72 70 HEM HB74 4.7 2088.1 HA72 70 HEM QM8 5.6 3509.8 HA72 70 HEM HA61 5.1 1501.3 HB73 70 HEM HB74 2.3 425 HB73 70 HEM QM8 5.6 3720.5 HB74 70 HEM QM8 5.7 3229.1 QM8 70 HEM QM1 5.4 4230 QM8 65 CYSS HA 6.1 4429.6 QM1 70 HEM QT2 4.4 2126 QM1 71 HEM HT4A 6.2 4044 QM1 71 HEM QM5 6.1 4655.7 HT2A 70 HEM QT2 4.8 7998 HT2A 70 HEM HAM 4.8 1867 HT2A 70 HEM QM3 6.5 1511 QT2 71 HEM QM5 6.5 1780.8 HAM 70 HEM QM3 4.9 7194 QM3 70 HEM QT4 3.5 5940 HBM 70 HEM QM5 6.5 1218.8 QM5 70 HEM HB64 5.6 3700.2 HA61 70 HEM HB64 2.6 4297 54 LYS+ HN 54 LYS+ HB2 3.2 6500 HN 54 LYS+ HB3 3.6 8182 HN 54 LYS+ HG2 5.5 1076 HN 54 LYS+ HG3 3.9 4567 HN 54 LYS+ HD2 5.5 620 HN 55 SER HN 4.1 3563.7 HN 55 SER HB3 4.9 1300.6 HN 56 ASN HN 4.8 2937.9 HA 54 LYS+ HB2 3.3 5000 HA 54 LYS+ HG2 3.1 1550 HA 54 LYS+ HG3 3.2 460 HA 54 LYS+ HD3 2.8 7040 HB2 54 LYS+ HG3 2.4 562 HB2 54 LYS+ HD2 2.6 1380 HB2 55 SER HN 4 4412.1 HB2 56 ASN HN 5 2222.5 HB3 54 LYS+ HG2 3.3 8274 HB3 54 LYS+ HG3 2.5 5564 HB3 55 SER HN 5.5 499.8 HG2 54 LYS+ HD2 3 2920 HG2 54 LYS+ HD3 3.7 5670.7 HG3 54 LYS+ HD2 3.4 8192 HG3 54 LYS+ HD3 5.5 0 HG3 55 SER HN 5.5 455.7 55 SER HN 55 SER HB2 4.9 1232.7 HN 55 SER HB3 3.7 6624.8 HN 56 ASN QB 6.2 891.1 HN 56 ASN HD21 5.5 219.8 HA 55 SER HB2 4.9 1190 HB2 56 ASN HN 5.4 688.1 HB3 56 ASN HN 4 4171.3 HB3 56 ASN HD21 5.5 602.7 56 ASN HN 56 ASN HA 5.1 1044.4 HN 56 ASN QB 4.9 2699.9 HN 56 ASN HD21 5.5 865.9 HN 56 ASN HD22 5.5 330.4 HN 57 ASN HN 4.2 3152.8 HN 58 GLY HN 5.5 424.2 HA 56 ASN QB 4 2026 HA 57 ASN HN 5.5 389.2 QB 56 ASN HD21 4.4 8059.8 QB 56 ASN HD22 5.4 2815.1 QB 57 ASN HN 4.4 822 QB 58 GLY HN 6.5 781.2 HD21 57 ASN HN 5.5 581.7 HD21 57 ASN HD21 4.7 2027.9 57 ASN HN 57 ASN HA 4.3 2597.7 HN 57 ASN HB2 4.2 3280.2 HN 57 ASN HB3 3.8 5638.5 HN 57 ASN HD21 5.5 55.3 HN 58 GLY HN 4.2 3255 HA 58 GLY HN 4.6 1913.1 HB2 57 ASN HD21 4.8 1895.6 HB2 57 ASN HD22 5.5 683.9 HB2 58 GLY HN 5.5 288.4 HB3 57 ASN HD21 3.3 8337 HB3 57 ASN HD22 5.4 1180.2 HB3 58 GLY HN 5.5 583.1 59 PRO HA 60 THR HN 5.5 454.3 HA 61 LYS+ HN 5.5 968.1 HB2 59 PRO QD 6 1577.1 HB2 60 THR HN 4.7 1614.9 HB2 64 GLY HN 3.9 6364 HB2 64 GLY HA1 4.2 3876.6 HB2 64 GLY HA2 3.5 2558 HB2 65 CYSS HN 5.5 554 HB2 71 HEM QM3 6.5 1143.1 HB3 59 PRO QD 6.5 104 HB3 64 GLY HA1 4.6 2214.8 60 THR HN 60 THR HA 4.4 2352 HN 60 THR HB 5.3 798 HN 61 LYS+ HN 4.1 3966.9 HA 60 THR HB 4.2 3024.7 HA 61 LYS+ HN 4.2 3213.7 HA 71 HEM QM3 6 5009.9 HB 61 LYS+ HN 5.5 412.3 61 LYS+ HN 61 LYS+ HA 4.2 3241 HN 61 LYS+ HB2 4.1 3777.9 HN 61 LYS+ HB3 3.3 3937 HN 61 LYS+ QG 6.4 1209.6 HN 62 CYSS HN 5.5 423.5 HN 64 GLY HN 5 2353 HN 71 HEM QM3 6.5 411.6 HA 61 LYS+ HB2 3.6 8274 HA 61 LYS+ HB3 3.6 8911 HA 61 LYS+ QG 4.9 2901.2 HA 62 CYSS HN 3.3 3230 HA 62 CYSS HB2 5.2 862.4 HA 71 HEM QM3 6.5 302.4 HB2 61 LYS+ QG 4.2 9296 HB2 62 CYSS HN 3.9 4673.2 HB2 63 GLY HN 5.5 597.1 HB2 64 GLY HN 5.5 576 HB3 61 LYS+ QG 3.9 5683.5 HB3 61 LYS+ QD 6.5 620.6 HB3 62 CYSS HN 4.3 2725.1 HB3 63 GLY HN 5.5 405.3 QG 61 LYS+ QD 7.5 324.5 QG 62 CYSS HN 6.4 887.9 62 CYSS HN 62 CYSS HA 3.9 4977 HN 62 CYSS HB2 3.9 5052.6 HN 62 CYSS HB3 4.4 2493.4 HN 63 GLY HN 5.4 675.5 HN 64 GLY HN 5.3 1496 HN 71 HEM QM1 6.5 532.1 HN 71 HEM HT2A 4.2 4132.8 HN 71 HEM QT2 6.5 1777.3 HN 71 HEM QM3 6.5 713.3 HA 62 CYSS HB2 3.7 6491.1 HA 62 CYSS HB3 2.6 7876 HA 63 GLY HN 3.9 5333.3 HA 63 GLY HA1 5 1181 HA 63 GLY HA2 5.1 1011.5 HA 71 HEM QM1 6.5 2046 HB2 63 GLY HN 5.5 294.7 HB2 64 GLY HN 5.5 948 HB2 65 CYSS HN 5.5 288 HB2 71 HEM QM1 6.5 958.9 HB2 71 HEM HT2A 4.2 4170.6 HB2 71 HEM QT2 6.5 777 HB3 63 GLY HN 5 1101.1 HB3 63 GLY HA2 5.5 143.5 HB3 71 HEM QM1 6.3 3687.6 HB3 71 HEM HT2A 4 5597.2 63 GLY HN 63 GLY HA1 3.9 5104 HN 63 GLY HA2 3.6 7616 HN 64 GLY HN 4.3 2634 HA1 64 GLY HN 4.8 1409 HA1 65 CYSS HN 5.5 313 HA1 71 HEM HN 5.1 1862 HA1 71 HEM HB2 4.9 2407 HA2 64 GLY HN 4.2 3027 HA2 65 CYSS HN 5.5 834 HA2 71 HEM HN 5.5 1196 HA2 71 HEM HB2 5.5 441 64 GLY HN 64 GLY HA1 3.4 1020 HN 64 GLY HA2 3.1 2160 HN 65 CYSS HN 3.2 7580 HN 71 HEM HN 5 2334 HA2 65 CYSS HN 4.3 2840 65 CYSS HN 65 CYSS HA 5.3 814 HN 65 CYSS HB2 4.5 2147 HN 65 CYSS HB3 4.9 1213 HN 71 HEM HN 3.3 4270 HN 71 HEM HB2 5.3 775 HN 71 HEM QM3 6.5 400 HA 65 CYSS HB2 4.2 3334.1 HA 65 CYSS HB3 3.8 5718.3 HA 71 HEM HN 5.5 69 HB2 71 HEM HN 4.3 2886 HB3 71 HEM HN 5.2 888 71 HEM HN 71 HEM HA 4.3 2840 HN 71 HEM HB2 3.7 6570 HN 71 HEM HB3 4 4047 HN 67 ILE HN 5.5 628 HA 71 HEM HB2 4 4414 HA 71 HEM HB3 3.6 7614 HA 67 ILE HN 2.9 1210 HA 67 ILE HA 5.5 634 HA 67 ILE HB 4.9 1285 HA 67 ILE HG13 5.5 572 HB2 67 ILE HN 4.9 1282 HB3 67 ILE HN 4.6 1914 HA71 71 HEM HA72 2.3 3428 HA71 71 HEM HB73 3.6 6171.9 HA71 71 HEM HB74 3.5 7137.9 HA71 71 HEM QM8 5 6447 HA71 71 HEM HA62 5.5 592.2 HA72 71 HEM HB73 3.2 9996 HA72 71 HEM HB74 4.3 3110.8 HA72 71 HEM QM8 4.4 1515 HB73 71 HEM HB74 2.3 9630 HB73 71 HEM QM8 4.6 9286.2 QM8 71 HEM HDM 4 8816 QM8 71 HEM QM1 5.3 4836.3 HDM 71 HEM QM1 3.9 821.5 QM1 71 HEM HT2A 6.5 1117.2 QM1 71 HEM QT2 3.8 4066 HT2A 71 HEM QT2 4.8 7476 HT2A 71 HEM QM3 5.9 2635.5 HAM 71 HEM QM3 5.5 4013.8 QM3 71 HEM HT4A 6.5 165.2 HT4A 71 HEM QM5 5.9 2776.2 QM5 71 HEM HA61 5.6 3616.2 QM5 71 HEM HA62 5.6 3721.2 QM5 71 HEM HB63 5.4 4300.8 QM5 71 HEM HB64 6.1 2322.6 HGM 71 HEM HA61 5.5 763.7 HGM 71 HEM HA62 3.9 4277.7 HGM 71 HEM HB64 5 1573.6 HA61 71 HEM HA62 2.6 4549 HA61 71 HEM HB63 4.1 3526.6 HA61 71 HEM HB64 4.3 3089.1 HA62 71 HEM HB63 3.8 5073.6 HA62 71 HEM HB64 3.5 7238 HB63 71 HEM HB64 2.3 8241 67 ILE HN 67 ILE HA 3.6 7749 HN 67 ILE HB 3.3 3540 HN 67 ILE HG12 4 4072 HN 67 ILE HG13 3.5 6811 HN 67 ILE QG1 6.5 958.5 HN 67 ILE QD1 6.5 1484 HN 68 LYS+ HN 4.9 1337 HA 67 ILE HB 3.9 5329 HA 67 ILE HG12 3.9 4305 HA 67 ILE HG13 4 4201 HA 67 ILE QG1 4.2 6435 HA 67 ILE QD1 4.6 9494 HA 68 LYS+ HN 2.9 350 HB 67 ILE HG12 3.3 8478 HB 67 ILE HG13 3.8 5057 HB 67 ILE QG1 4.2 155 HB 67 ILE QD1 6.1 2315 HB 68 LYS+ HN 4.9 1279 HB 68 LYS+ HA 5 1177 HG12 67 ILE QG1 5.6 2192 HG12 67 ILE QD1 4.8 7463 HG13 67 ILE QG1 6 1650.5 HG13 67 ILE QD1 5.1 5638 QG1 67 ILE QD1 5.5 435 QG1 68 LYS+ HN 5.7 2097 QD1 68 LYS+ HN 6.5 1183 68 LYS+ HN 68 LYS+ HA 4.3 2905 HN 68 LYS+ HB2 4.1 3528 HN 68 LYS+ HB3 3.6 8240 HN 68 LYS+ HG2 3.5 7207 HA 68 LYS+ HB2 3.8 5570.6 HA 68 LYS+ HB3 4.2 3442.6 HA 68 LYS+ HG2 3.2 346 HB2 68 LYS+ HG2 2.5 5417 HB3 68 LYS+ HG2 3 2075
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