============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 23 0.900 -13.086 -4.216 -29.009 -99.200 -91.000 TRP 27 1.040 -15.928 -9.656 -29.136 -99.200 -91.000 TRP6 27 1.020 -14.206 -10.137 -27.622 -99.200 -91.000 PHE 36 1.000 -25.742 -7.895 -29.725 -99.200 -91.000 TRP 40 1.040 -17.814 -5.327 -23.820 -99.200 -91.000 TRP6 40 1.020 -17.526 -7.589 -24.440 -99.200 -91.000 TRP 50 1.040 -12.041 -5.943 -24.922 -99.200 -91.000 TRP6 50 1.020 -12.569 -3.749 -25.643 -99.200 -91.000 TYR 52 0.840 -10.048 -4.579 -17.500 -99.200 -91.000 PHE 53 1.000 -19.259 -9.567 -19.496 -99.200 -91.000 HIS 57 0.900 -10.689 -6.124 -8.964 -99.200 -91.000 PHE 69 1.000 -26.157 -3.091 -15.715 -99.200 -91.000 PHE 72 1.000 -25.558 -8.851 -13.875 -99.200 -91.000 TYR 85 0.840 -33.041 -22.813 2.589 -99.200 -91.000 TYR 88 0.840 -40.086 -25.046 -1.654 -99.200 -91.000 HIS 92 0.900 -42.191 -25.942 -4.663 -99.200 -91.000 PHE 93 1.000 -38.386 -19.317 -12.269 -99.200 -91.000 HIS 97 0.900 -50.074 -22.067 -6.616 -99.200 -91.000 TRP 109 1.040 -36.499 -10.620 -6.958 -99.200 -91.000 TRP6 109 1.020 -34.804 -10.344 -8.589 -99.200 -91.000 HIS 117 0.900 -52.004 -7.956 -4.736 -99.200 -91.000 PHE 143 1.000 -43.463 -22.837 -16.391 -99.200 -91.000 HIS 144 0.900 -33.684 -26.788 -16.793 -99.200 -91.000 PHE 145 1.000 -34.825 -20.965 -22.793 -99.200 -91.000 HIS 154 0.900 -26.903 -11.938 -11.723 -99.200 -91.000 PHE 159 1.000 -40.831 -19.221 -23.180 -99.200 -91.000 HIS 164 0.900 -55.062 -16.220 -31.310 -99.200 -91.000 PHE 170 1.000 -43.384 -18.118 -33.541 -99.200 -91.000 TYR 172 0.840 -32.617 -21.631 -36.569 -99.200 -91.000 TYR 173 0.840 -38.229 -24.864 -40.506 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i08A1 ALA 1449 HA -0.05 -0.03 0.16 -0.75 4.34 3.67 3i08A1 ALA 1449 HB3 -0.03 -0.02 0.02 -0.04 1.41 1.34 3i08A1 CYS 1450 H -0.07 0.13 0.05 -0.55 8.50 8.06 3i08A1 CYS 1450 HA -0.09 -0.12 0.33 -0.75 4.58 3.95 3i08A1 CYS 1450 HB2 -0.13 0.18 -0.17 -0.04 2.97 2.81 3i08A1 CYS 1450 HB3 -0.08 0.03 0.08 -0.04 2.97 2.96 3i08A1 GLU 1451 H -0.06 0.01 0.13 -0.55 8.60 8.14 3i08A1 GLU 1451 HA -0.03 0.16 0.39 -0.75 4.29 4.06 3i08A1 GLU 1451 HB2 -0.03 -0.10 0.21 -0.04 2.09 2.13 3i08A1 GLU 1451 HB3 -0.02 0.01 0.04 -0.04 1.99 1.97 3i08A1 GLU 1451 HG2 -0.03 0.09 0.06 -0.04 2.34 2.42 3i08A1 GLU 1451 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.29 3i08A1 LEU 1452 H -0.03 0.02 0.08 -0.55 8.37 7.90 3i08A1 LEU 1452 HA -0.02 0.15 0.35 -0.75 4.35 4.07 3i08A1 PRO 1453 HA -0.02 -0.06 0.79 -0.51 4.44 4.64 3i08A1 PRO 1453 HB2 -0.01 -0.00 0.00 -0.04 2.28 2.23 3i08A1 PRO 1453 HB3 -0.02 0.11 0.13 -0.04 2.02 2.20 3i08A1 PRO 1453 HG2 -0.01 0.01 0.06 -0.04 2.03 2.04 3i08A1 PRO 1453 HG3 -0.01 0.09 0.08 -0.04 2.03 2.14 3i08A1 PRO 1453 HD2 -0.01 0.04 0.25 -0.04 3.68 3.91 3i08A1 PRO 1453 HD3 -0.02 0.30 0.18 -0.04 3.65 4.07 3i08A1 GLU 1454 H -0.02 0.14 -0.02 -0.55 8.60 8.16 3i08A1 GLU 1454 HA -0.01 0.09 0.38 -0.75 4.29 3.99 3i08A1 CYS 1455 H -0.02 0.29 -0.59 -0.55 8.50 7.63 3i08A1 CYS 1455 HA -0.02 0.03 0.38 -0.75 4.58 4.21 3i08A1 CYS 1455 HB2 -0.04 0.45 0.07 -0.04 2.97 3.41 3i08A1 CYS 1455 HB3 -0.05 0.02 -0.03 -0.04 2.97 2.87 3i08A1 GLN 1456 H -0.03 0.17 -0.02 -0.55 8.47 8.04 3i08A1 GLN 1456 HA -0.04 0.11 0.31 -0.75 4.36 3.98 3i08A1 GLN 1456 HB2 -0.02 -0.21 0.17 -0.04 2.15 2.04 3i08A1 GLN 1456 HB3 -0.02 0.07 -0.06 -0.04 2.02 1.96 3i08A1 GLN 1456 HG2 -0.04 0.02 0.00 -0.04 2.40 2.34 3i08A1 GLN 1456 HG3 -0.03 0.06 0.00 -0.04 2.39 2.38 3i08A1 GLN 1456 HE21 -0.03 -0.01 0.01 -0.04 6.97 6.90 3i08A1 GLN 1456 HE22 -0.03 0.07 0.00 -0.04 7.69 7.69 3i08A1 GLU 1457 H -0.02 -0.08 -0.46 -0.55 8.60 7.49 3i08A1 GLU 1457 HA -0.01 0.22 0.70 -0.75 4.29 4.44 3i08A1 GLU 1457 HB2 -0.01 0.01 0.03 -0.04 2.09 2.08 3i08A1 GLU 1457 HB3 -0.01 -0.16 0.10 -0.04 1.99 1.88 3i08A1 GLU 1457 HG2 -0.01 0.07 -0.23 -0.04 2.34 2.14 3i08A1 GLU 1457 HG3 -0.01 -0.02 -0.03 -0.04 2.34 2.24 3i08A1 ASP 1458 H -0.01 0.52 0.07 -0.55 8.40 8.44 3i08A1 ASP 1458 HA -0.00 0.23 0.50 -0.75 4.63 4.61 3i08A1 ASP 1458 HB2 0.00 -0.08 0.14 -0.04 2.71 2.74 3i08A1 ASP 1458 HB3 -0.00 -0.01 0.02 -0.04 2.70 2.67 3i08A1 ALA 1459 H -0.02 0.33 -0.41 -0.55 8.40 7.76 3i08A1 ALA 1459 HA -0.01 -0.11 0.37 -0.75 4.34 3.84 3i08A1 ALA 1459 HB3 -0.03 0.03 -0.00 -0.04 1.41 1.37 3i08A1 GLY 1460 H 0.01 0.11 0.29 -0.55 8.43 8.29 3i08A1 GLY 1460 HA2 0.01 -0.04 0.27 -0.51 4.01 3.74 3i08A1 GLY 1460 HA3 0.00 0.15 0.44 -0.51 4.01 4.10 3i08A1 ASN 1461 H 0.02 -0.03 0.22 -0.55 8.53 8.19 3i08A1 ASN 1461 HA 0.01 0.28 0.37 -0.75 4.76 4.66 3i08A1 ASN 1461 HB2 0.01 -0.02 0.08 -0.04 2.88 2.90 3i08A1 ASN 1461 HB3 0.01 0.07 -0.03 -0.04 2.79 2.80 3i08A1 ASN 1461 HD21 0.01 -0.09 -0.04 -0.04 7.03 6.88 3i08A1 ASN 1461 HD22 0.01 -0.00 -0.01 -0.04 7.74 7.69 3i08A1 LYS 1462 H 0.03 0.18 0.07 -0.55 8.42 8.14 3i08A1 LYS 1462 HA 0.02 -0.21 0.30 -0.75 4.32 3.69 3i08A1 LYS 1462 HB2 0.04 0.04 0.15 -0.04 1.87 2.05 3i08A1 LYS 1462 HB3 0.03 0.01 -0.04 -0.04 1.79 1.75 3i08A1 LYS 1462 HG2 0.03 0.02 -0.11 -0.04 1.46 1.37 3i08A1 LYS 1462 HG3 0.02 0.10 -0.44 -0.04 1.46 1.10 3i08A1 LYS 1462 HD2 0.03 0.02 -0.10 -0.04 1.69 1.60 3i08A1 LYS 1462 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.65 3i08A1 LYS 1462 HE2 0.03 0.06 -0.04 -0.04 2.99 2.99 3i08A1 LYS 1462 HE3 0.03 0.00 -0.03 -0.04 2.99 2.96 3i08A1 VAL 1463 H 0.02 0.24 0.21 -0.55 8.24 8.16 3i08A1 VAL 1463 HA 0.03 0.17 0.33 -0.75 4.13 3.91 3i08A1 VAL 1463 HB 0.02 -0.06 -0.03 -0.04 2.12 2.01 3i08A1 VAL 1463 HG13 0.02 0.08 0.12 -0.04 0.97 1.15 3i08A1 VAL 1463 HG23 0.02 0.00 -0.25 -0.04 0.95 0.68 3i08A1 CYS 1464 H 0.03 0.21 0.02 -0.55 8.50 8.21 3i08A1 CYS 1464 HA 0.04 0.15 0.27 -0.75 4.58 4.29 3i08A1 CYS 1464 HB2 0.04 0.03 0.11 -0.04 2.97 3.11 3i08A1 CYS 1464 HB3 0.05 -0.03 0.10 -0.04 2.97 3.05 3i08A1 SER 1465 H 0.02 0.45 0.04 -0.55 8.46 8.43 3i08A1 SER 1465 HA 0.02 0.03 0.45 -0.75 4.49 4.23 3i08A1 SER 1465 HB2 0.01 -0.07 0.12 -0.04 3.95 3.98 3i08A1 SER 1465 HB3 0.01 -0.01 0.02 -0.04 3.93 3.91 3i08A1 LEU 1466 H 0.03 0.15 0.30 -0.55 8.37 8.30 3i08A1 LEU 1466 HA 0.05 0.08 0.09 -0.75 4.35 3.82 3i08A1 LEU 1466 HB2 0.04 0.14 0.19 -0.04 1.64 1.96 3i08A1 LEU 1466 HB3 0.03 -0.04 0.10 -0.04 1.64 1.70 3i08A1 LEU 1466 HG 0.06 -0.02 0.15 -0.04 1.64 1.79 3i08A1 LEU 1466 HD13 0.05 0.01 0.05 -0.04 0.93 0.99 3i08A1 LEU 1466 HD23 0.04 0.00 -0.04 -0.04 0.89 0.85 3i08A1 GLN 1467 H 0.02 0.07 -0.19 -0.55 8.47 7.82 3i08A1 GLN 1467 HA 0.02 0.26 0.86 -0.75 4.36 4.74 3i08A1 GLN 1467 HB2 0.00 0.04 0.13 -0.04 2.15 2.28 3i08A1 GLN 1467 HB3 0.01 0.02 0.06 -0.04 2.02 2.06 3i08A1 GLN 1467 HG2 -0.01 -0.00 -0.27 -0.04 2.40 2.08 3i08A1 GLN 1467 HG3 -0.00 0.04 -0.03 -0.04 2.39 2.35 3i08A1 GLN 1467 HE21 0.01 -0.00 -0.09 -0.04 6.97 6.84 3i08A1 GLN 1467 HE22 -0.00 0.02 -0.21 -0.04 7.69 7.46 3i08A1 CYS 1468 H 0.01 0.49 -0.33 -0.55 8.50 8.12 3i08A1 CYS 1468 HA -0.04 0.12 0.77 -0.75 4.58 4.68 3i08A1 CYS 1468 HB2 0.00 0.32 0.10 -0.04 2.97 3.36 3i08A1 CYS 1468 HB3 -0.03 -0.09 0.17 -0.04 2.97 2.98 3i08A1 ASN 1469 H 0.03 0.27 -0.56 -0.55 8.53 7.73 3i08A1 ASN 1469 HA 0.13 -0.07 0.47 -0.75 4.76 4.53 3i08A1 ASN 1469 HB2 0.11 -0.01 -0.03 -0.04 2.88 2.91 3i08A1 ASN 1469 HB3 0.14 0.15 0.19 -0.04 2.79 3.23 3i08A1 ASN 1469 HD21 0.17 0.06 -0.03 -0.04 7.03 7.19 3i08A1 ASN 1469 HD22 0.15 0.03 0.02 -0.04 7.74 7.91 3i08A1 ASN 1470 H -0.32 0.27 0.14 -0.55 8.53 8.07 3i08A1 ASN 1470 HA -0.51 0.22 0.49 -0.75 4.76 4.20 3i08A1 ASN 1470 HB2 -0.29 -0.09 0.05 -0.04 2.88 2.51 3i08A1 ASN 1470 HB3 -0.13 0.25 -0.06 -0.04 2.79 2.81 3i08A1 ASN 1470 HD21 -0.11 0.06 -0.19 -0.04 7.03 6.74 3i08A1 ASN 1470 HD22 -0.08 0.08 -0.78 -0.04 7.74 6.92 3i08A1 HIS 1471 H -1.03 0.28 0.11 -0.55 8.41 7.22 3i08A1 HIS 1471 HA -1.97 0.05 0.32 -0.75 4.63 2.27 3i08A1 HIS 1471 HB2 -2.13 0.02 0.10 -0.04 3.26 1.20 3i08A1 HIS 1471 HB3 -0.96 0.04 0.09 -0.04 3.20 2.33 3i08A1 HIS 1471 HD2 -0.44 0.04 -0.30 -0.04 6.97 6.22 3i08A1 HIS 1471 HE1 -0.26 0.07 -0.04 -0.04 7.75 7.47 3i08A1 ALA 1472 H -0.41 0.07 -0.30 -0.55 8.40 7.21 3i08A1 ALA 1472 HA -0.22 0.14 0.25 -0.75 4.34 3.76 3i08A1 ALA 1472 HB3 -0.14 0.03 -0.11 -0.04 1.41 1.15 3i08A1 CYS 1473 H -0.41 0.14 -0.29 -0.55 8.50 7.40 3i08A1 CYS 1473 HA -0.20 0.24 0.73 -0.75 4.58 4.59 3i08A1 CYS 1473 HB2 -0.19 0.14 0.16 -0.04 2.97 3.04 3i08A1 CYS 1473 HB3 -0.13 0.00 0.19 -0.04 2.97 3.00 3i08A1 GLY 1474 H -0.59 0.49 -0.48 -0.55 8.43 7.30 3i08A1 GLY 1474 HA2 -0.47 0.09 0.29 -0.51 4.01 3.41 3i08A1 GLY 1474 HA3 -0.20 0.06 0.28 -0.51 4.01 3.64 3i08A1 TRP 1475 H -0.77 0.46 -0.19 -0.55 7.97 6.92 3i08A1 TRP 1475 HA -0.03 -0.04 0.24 -0.75 4.62 4.04 3i08A1 TRP 1475 HB2 0.02 0.10 0.02 -0.04 3.23 3.33 3i08A1 TRP 1475 HB3 0.04 0.04 -0.03 -0.04 3.23 3.24 3i08A1 TRP 1475 HD1 0.04 0.02 -0.23 -0.04 7.22 7.01 3i08A1 TRP 1475 HE1 0.17 -0.03 -0.07 -0.04 10.20 10.23 3i08A1 TRP 1475 HE3 0.01 0.02 -0.28 -0.04 7.59 7.30 3i08A1 TRP 1475 HZ2 -0.95 -0.03 -0.05 -0.04 7.44 6.37 3i08A1 TRP 1475 HZ3 -0.00 0.17 -0.17 -0.04 7.13 7.09 3i08A1 TRP 1475 HH2 -0.16 0.06 -0.07 -0.04 7.19 6.98 3i08A1 ASP 1476 H -0.07 0.32 -0.10 -0.55 8.40 8.01 3i08A1 ASP 1476 HA -0.02 0.15 0.34 -0.75 4.63 4.35 3i08A1 ASP 1476 HB2 0.04 0.04 -0.28 -0.04 2.71 2.48 3i08A1 ASP 1476 HB3 0.07 -0.07 0.14 -0.04 2.70 2.80 3i08A1 GLY 1477 H -0.04 0.49 -0.05 -0.55 8.43 8.28 3i08A1 GLY 1477 HA2 -0.03 0.07 0.26 -0.51 4.01 3.80 3i08A1 GLY 1477 HA3 -0.01 0.02 0.28 -0.51 4.01 3.80 3i08A1 GLY 1478 H 0.10 0.19 -0.88 -0.55 8.43 7.29 3i08A1 GLY 1478 HA2 0.15 0.06 0.27 -0.51 4.01 3.97 3i08A1 GLY 1478 HA3 0.07 0.21 0.59 -0.51 4.01 4.36 3i08A1 ASP 1479 H 0.06 0.72 -0.11 -0.55 8.40 8.52 3i08A1 ASP 1479 HA 0.05 0.04 0.33 -0.75 4.63 4.30 3i08A1 ASP 1479 HB2 0.05 0.05 0.18 -0.04 2.71 2.95 3i08A1 ASP 1479 HB3 0.04 -0.11 -0.27 -0.04 2.70 2.33 3i08A1 CYS 1480 H 0.13 0.48 -0.27 -0.55 8.50 8.30 3i08A1 CYS 1480 HA 0.08 0.12 0.50 -0.75 4.58 4.52 3i08A1 CYS 1480 HB2 0.23 0.13 -0.10 -0.04 2.97 3.18 3i08A1 CYS 1480 HB3 0.16 0.01 -0.00 -0.04 2.97 3.10 3i08A1 SER 1481 H 0.10 0.31 -0.51 -0.55 8.46 7.81 3i08A1 SER 1481 HA -0.02 0.20 0.79 -0.75 4.49 4.70 3i08A1 SER 1481 HB2 -0.07 0.02 0.12 -0.04 3.95 3.98 3i08A1 SER 1481 HB3 -0.02 -0.08 -0.10 -0.04 3.93 3.70 3i08A1 LEU 1482 H 0.03 0.19 -0.27 -0.55 8.37 7.78 3i08A1 LEU 1482 HA 0.02 0.04 0.26 -0.75 4.35 3.92 3i08A1 LEU 1482 HB2 -0.00 0.11 -0.30 -0.04 1.64 1.41 3i08A1 LEU 1482 HB3 0.00 0.02 0.14 -0.04 1.64 1.76 3i08A1 LEU 1482 HG -0.02 -0.04 -0.13 -0.04 1.64 1.41 3i08A1 LEU 1482 HD13 -0.04 0.00 -0.05 -0.04 0.93 0.80 3i08A1 LEU 1482 HD23 0.00 0.01 0.01 -0.04 0.89 0.86 3i08A1 ASN 1483 H 0.06 0.43 -0.32 -0.55 8.53 8.16 3i08A1 ASN 1483 HA 0.05 0.01 0.10 -0.75 4.76 4.16 3i08A1 ASN 1483 HB2 0.04 0.14 -0.02 -0.04 2.88 3.00 3i08A1 ASN 1483 HB3 0.03 -0.03 0.14 -0.04 2.79 2.90 3i08A1 ASN 1483 HD21 0.04 -0.03 -0.09 -0.04 7.03 6.90 3i08A1 ASN 1483 HD22 0.03 0.04 -0.13 -0.04 7.74 7.64 3i08A1 PHE 1484 H 0.17 0.57 -0.19 -0.55 8.34 8.33 3i08A1 PHE 1484 HA -0.02 0.09 0.80 -0.75 4.62 4.75 3i08A1 PHE 1484 HB2 -0.04 0.05 -0.02 -0.04 3.15 3.09 3i08A1 PHE 1484 HB3 -0.07 0.08 0.06 -0.04 3.06 3.09 3i08A1 PHE 1484 HD2 -0.07 -0.05 -0.28 -0.04 7.28 6.84 3i08A1 PHE 1484 HE2 -0.08 -0.02 -0.13 -0.04 7.38 7.11 3i08A1 PHE 1484 HZ -0.07 -0.02 -0.03 -0.04 7.32 7.16 3i08A1 ASN 1485 H -0.59 0.17 0.06 -0.55 8.53 7.62 3i08A1 ASN 1485 HA -0.00 0.07 0.54 -0.75 4.76 4.61 3i08A1 ASN 1485 HB2 -0.25 -0.01 0.11 -0.04 2.88 2.70 3i08A1 ASN 1485 HB3 -0.10 -0.02 -0.06 -0.04 2.79 2.56 3i08A1 ASN 1485 HD21 -0.02 0.34 -0.05 -0.04 7.03 7.26 3i08A1 ASN 1485 HD22 -0.01 -0.14 -0.30 -0.04 7.74 7.25 3i08A1 ASP 1486 H 0.17 0.19 0.11 -0.55 8.40 8.32 3i08A1 ASP 1486 HA 0.38 -0.01 0.32 -0.75 4.63 4.57 3i08A1 ASP 1486 HB2 0.05 0.11 0.02 -0.04 2.71 2.86 3i08A1 ASP 1486 HB3 0.13 -0.05 0.00 -0.04 2.70 2.74 3i08A1 PRO 1487 HA 0.22 0.15 0.24 -0.51 4.44 4.54 3i08A1 PRO 1487 HB2 -1.40 -0.01 -0.05 -0.04 2.28 0.78 3i08A1 PRO 1487 HB3 -0.64 0.08 0.03 -0.04 2.02 1.45 3i08A1 PRO 1487 HG2 -0.55 0.04 -0.00 -0.04 2.03 1.47 3i08A1 PRO 1487 HG3 -0.08 0.15 -0.05 -0.04 2.03 2.00 3i08A1 PRO 1487 HD2 0.27 0.01 0.07 -0.04 3.68 3.99 3i08A1 PRO 1487 HD3 0.23 0.11 0.09 -0.04 3.65 4.04 3i08A1 TRP 1488 H 0.52 0.00 -0.55 -0.55 7.97 7.39 3i08A1 TRP 1488 HA 0.10 0.27 0.55 -0.75 4.62 4.78 3i08A1 TRP 1488 HB2 0.33 -0.03 0.00 -0.04 3.23 3.49 3i08A1 TRP 1488 HB3 0.38 -0.03 0.12 -0.04 3.23 3.65 3i08A1 TRP 1488 HD1 0.17 -0.01 -0.05 -0.04 7.22 7.29 3i08A1 TRP 1488 HE1 0.01 0.11 -0.25 -0.04 10.20 10.04 3i08A1 TRP 1488 HE3 0.22 -0.04 -0.05 -0.04 7.59 7.68 3i08A1 TRP 1488 HZ2 -0.71 0.08 -0.06 -0.04 7.44 6.70 3i08A1 TRP 1488 HZ3 -1.43 0.00 -0.07 -0.04 7.13 5.59 3i08A1 TRP 1488 HH2 -0.68 0.08 -0.05 -0.04 7.19 6.51 3i08A1 LYS 1489 H 0.17 0.55 -0.40 -0.55 8.42 8.19 3i08A1 LYS 1489 HA 0.17 0.01 0.35 -0.75 4.32 4.10 3i08A1 LYS 1489 HB2 0.06 -0.06 0.08 -0.04 1.87 1.91 3i08A1 LYS 1489 HB3 0.07 0.05 0.13 -0.04 1.79 2.00 3i08A1 LYS 1489 HG2 0.09 0.08 0.08 -0.04 1.46 1.67 3i08A1 LYS 1489 HG3 0.05 -0.07 -0.09 -0.04 1.46 1.31 3i08A1 LYS 1489 HD2 -0.02 -0.10 0.00 -0.04 1.69 1.53 3i08A1 LYS 1489 HD3 -0.04 0.11 0.07 -0.04 1.68 1.77 3i08A1 LYS 1489 HE2 0.04 0.07 0.02 -0.04 2.99 3.08 3i08A1 LYS 1489 HE3 0.01 -0.09 0.01 -0.04 2.99 2.88 3i08A1 ASN 1490 H 0.09 0.21 -0.20 -0.55 8.53 8.09 3i08A1 ASN 1490 HA 0.07 0.17 0.81 -0.75 4.76 5.06 3i08A1 ASN 1490 HB2 0.02 0.07 0.15 -0.04 2.88 3.08 3i08A1 ASN 1490 HB3 0.03 -0.08 0.21 -0.04 2.79 2.91 3i08A1 ASN 1490 HD21 0.03 0.00 -0.06 -0.04 7.03 6.96 3i08A1 ASN 1490 HD22 0.04 0.04 -0.01 -0.04 7.74 7.77 3i08A1 CYS 1491 H 0.20 0.49 -0.45 -0.55 8.50 8.19 3i08A1 CYS 1491 HA 0.12 0.03 0.62 -0.75 4.58 4.60 3i08A1 CYS 1491 HB2 0.28 0.27 -0.08 -0.04 2.97 3.40 3i08A1 CYS 1491 HB3 0.43 0.08 0.00 -0.04 2.97 3.44 3i08A1 THR 1492 H 0.09 0.13 0.03 -0.55 8.28 7.99 3i08A1 THR 1492 HA 0.09 0.09 0.51 -0.75 4.39 4.33 3i08A1 THR 1492 HB 0.04 -0.07 0.07 -0.04 4.32 4.32 3i08A1 THR 1492 HG23 0.04 -0.00 0.02 -0.04 1.22 1.24 3i08A1 GLN 1493 H 0.12 0.19 0.24 -0.55 8.47 8.47 3i08A1 GLN 1493 HA 0.30 0.06 0.25 -0.75 4.36 4.21 3i08A1 GLN 1493 HB2 0.14 -0.02 0.18 -0.04 2.15 2.41 3i08A1 GLN 1493 HB3 0.19 0.02 0.00 -0.04 2.02 2.19 3i08A1 GLN 1493 HG2 0.35 -0.00 0.05 -0.04 2.40 2.76 3i08A1 GLN 1493 HG3 0.20 0.11 0.11 -0.04 2.39 2.76 3i08A1 GLN 1493 HE21 0.12 0.02 0.01 -0.04 6.97 7.07 3i08A1 GLN 1493 HE22 0.12 -0.02 0.03 -0.04 7.69 7.77 3i08A1 SER 1494 H 0.06 0.07 -0.13 -0.55 8.46 7.91 3i08A1 SER 1494 HA 0.01 0.08 0.34 -0.75 4.49 4.16 3i08A1 SER 1494 HB2 -0.00 0.04 -0.14 -0.04 3.95 3.81 3i08A1 SER 1494 HB3 0.00 0.05 0.05 -0.04 3.93 3.99 3i08A1 LEU 1495 H -0.03 0.32 -0.51 -0.55 8.37 7.60 3i08A1 LEU 1495 HA -0.07 0.07 0.24 -0.75 4.35 3.83 3i08A1 LEU 1495 HB2 -0.03 0.14 0.03 -0.04 1.64 1.74 3i08A1 LEU 1495 HB3 -0.04 -0.05 -0.14 -0.04 1.64 1.37 3i08A1 LEU 1495 HG -0.03 -0.02 -0.07 -0.04 1.64 1.48 3i08A1 LEU 1495 HD13 0.01 -0.01 -0.08 -0.04 0.93 0.81 3i08A1 LEU 1495 HD23 0.02 -0.03 -0.12 -0.04 0.89 0.72 3i08A1 GLN 1496 H -0.39 0.29 -0.14 -0.55 8.47 7.68 3i08A1 GLN 1496 HA -2.54 0.00 0.32 -0.75 4.36 1.38 3i08A1 GLN 1496 HB2 -0.46 0.23 0.07 -0.04 2.15 1.95 3i08A1 GLN 1496 HB3 -1.19 -0.13 0.19 -0.04 2.02 0.85 3i08A1 GLN 1496 HG2 -0.43 -0.03 0.00 -0.04 2.40 1.90 3i08A1 GLN 1496 HG3 -0.29 0.17 -0.31 -0.04 2.39 1.92 3i08A1 GLN 1496 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.87 3i08A1 GLN 1496 HE22 -0.02 0.02 -0.03 -0.04 7.69 7.61 3i08A1 CYS 1497 H -0.54 0.18 0.01 -0.55 8.50 7.60 3i08A1 CYS 1497 HA 0.03 0.13 -0.02 -0.75 4.58 3.97 3i08A1 CYS 1497 HB2 0.19 0.00 0.06 -0.04 2.97 3.19 3i08A1 CYS 1497 HB3 0.32 0.10 0.03 -0.04 2.97 3.39 3i08A1 TRP 1498 H -0.97 0.03 -0.41 -0.55 7.97 6.07 3i08A1 TRP 1498 HA -0.64 0.13 0.44 -0.75 4.62 3.79 3i08A1 TRP 1498 HB2 -0.76 0.06 0.01 -0.04 3.23 2.50 3i08A1 TRP 1498 HB3 -2.49 -0.01 0.03 -0.04 3.23 0.72 3i08A1 TRP 1498 HD1 -0.05 0.07 -0.16 -0.04 7.22 7.04 3i08A1 TRP 1498 HE1 -0.21 0.03 0.00 -0.04 10.20 9.98 3i08A1 TRP 1498 HE3 -0.77 0.01 -0.02 -0.04 7.59 6.77 3i08A1 TRP 1498 HZ2 -0.51 0.05 -0.00 -0.04 7.44 6.94 3i08A1 TRP 1498 HZ3 -0.17 0.08 0.02 -0.04 7.13 7.02 3i08A1 TRP 1498 HH2 -0.55 0.12 0.05 -0.04 7.19 6.77 3i08A1 LYS 1499 H -1.13 0.44 -0.15 -0.55 8.42 7.03 3i08A1 LYS 1499 HA -0.27 0.03 0.38 -0.75 4.32 3.70 3i08A1 LYS 1499 HB2 -2.17 0.10 0.04 -0.04 1.87 -0.20 3i08A1 LYS 1499 HB3 -0.79 -0.02 0.09 -0.04 1.79 1.03 3i08A1 LYS 1499 HG2 -0.55 -0.13 0.04 -0.04 1.46 0.77 3i08A1 LYS 1499 HG3 -1.12 0.18 0.17 -0.04 1.46 0.65 3i08A1 LYS 1499 HD2 -0.25 -0.05 0.04 -0.04 1.69 1.39 3i08A1 LYS 1499 HD3 -0.34 0.04 0.04 -0.04 1.68 1.38 3i08A1 LYS 1499 HE2 -0.22 0.04 0.05 -0.04 2.99 2.82 3i08A1 LYS 1499 HE3 -0.07 -0.05 0.03 -0.04 2.99 2.85 3i08A1 TYR 1500 H -0.21 0.15 -0.59 -0.55 8.29 7.09 3i08A1 TYR 1500 HA 0.03 0.22 0.79 -0.75 4.56 4.85 3i08A1 TYR 1500 HB2 -0.01 -0.02 -0.11 -0.04 3.06 2.88 3i08A1 TYR 1500 HB3 0.01 -0.02 0.01 -0.04 2.98 2.93 3i08A1 TYR 1500 HD2 -0.08 -0.00 -0.16 -0.04 7.15 6.87 3i08A1 TYR 1500 HE2 -0.16 0.14 -0.05 -0.04 6.85 6.74 3i08A1 PHE 1501 H 0.25 0.09 -0.04 -0.55 8.34 8.08 3i08A1 PHE 1501 HA 0.16 -0.10 0.37 -0.75 4.62 4.30 3i08A1 PHE 1501 HB2 0.45 -0.00 0.08 -0.04 3.15 3.64 3i08A1 PHE 1501 HB3 0.27 0.07 0.08 -0.04 3.06 3.44 3i08A1 PHE 1501 HD2 0.19 0.00 -0.11 -0.04 7.28 7.31 3i08A1 PHE 1501 HE2 -0.08 0.07 0.01 -0.04 7.38 7.34 3i08A1 PHE 1501 HZ -0.15 0.03 -0.01 -0.04 7.32 7.15 3i08A1 SER 1502 H -0.45 0.19 -0.07 -0.55 8.46 7.59 3i08A1 SER 1502 HA -0.27 0.06 0.40 -0.75 4.49 3.93 3i08A1 SER 1502 HB2 -1.12 -0.07 0.00 -0.04 3.95 2.73 3i08A1 SER 1502 HB3 -0.27 0.08 -0.11 -0.04 3.93 3.59 3i08A1 ASP 1503 H -0.01 0.22 -0.08 -0.55 8.40 7.98 3i08A1 ASP 1503 HA 0.03 0.26 1.02 -0.75 4.63 5.19 3i08A1 ASP 1503 HB2 0.08 -0.07 0.17 -0.04 2.71 2.85 3i08A1 ASP 1503 HB3 0.09 0.15 -0.18 -0.04 2.70 2.71 3i08A1 GLY 1504 H 0.01 0.13 -0.16 -0.55 8.43 7.86 3i08A1 GLY 1504 HA2 0.03 0.02 0.36 -0.51 4.01 3.91 3i08A1 GLY 1504 HA3 0.05 0.13 0.70 -0.51 4.01 4.38 3i08A1 HIS 1505 H 0.15 0.29 -0.34 -0.55 8.41 7.96 3i08A1 HIS 1505 HA 0.00 0.05 0.60 -0.75 4.63 4.53 3i08A1 HIS 1505 HB2 0.01 0.02 0.06 -0.04 3.26 3.31 3i08A1 HIS 1505 HB3 0.02 0.02 0.00 -0.04 3.20 3.20 3i08A1 HIS 1505 HD2 -0.04 -0.02 -0.14 -0.04 6.97 6.73 3i08A1 HIS 1505 HE1 -0.02 -0.03 0.02 -0.04 7.75 7.68 3i08A1 CYS 1506 H -0.20 0.13 0.11 -0.55 8.50 8.00 3i08A1 CYS 1506 HA -0.13 0.05 0.45 -0.75 4.58 4.20 3i08A1 CYS 1506 HB2 -0.05 0.39 -0.11 -0.04 2.97 3.16 3i08A1 CYS 1506 HB3 -0.11 -0.04 0.13 -0.04 2.97 2.91 3i08A1 ASP 1507 H -0.13 0.29 0.03 -0.55 8.40 8.04 3i08A1 ASP 1507 HA -0.23 0.14 0.79 -0.75 4.63 4.58 3i08A1 ASP 1507 HB2 -0.13 -0.08 0.06 -0.04 2.71 2.52 3i08A1 ASP 1507 HB3 -0.29 0.02 0.01 -0.04 2.70 2.39 3i08A1 SER 1508 H -0.09 0.23 0.06 -0.55 8.46 8.12 3i08A1 SER 1508 HA -0.01 0.14 0.26 -0.75 4.49 4.12 3i08A1 SER 1508 HB2 0.00 0.07 0.06 -0.04 3.95 4.03 3i08A1 SER 1508 HB3 -0.03 0.06 -0.01 -0.04 3.93 3.90 3i08A1 GLN 1509 H -0.06 0.11 -0.07 -0.55 8.47 7.91 3i08A1 GLN 1509 HA -0.01 0.11 0.42 -0.75 4.36 4.12 3i08A1 GLN 1509 HB2 -0.04 0.05 -0.16 -0.04 2.15 1.95 3i08A1 GLN 1509 HB3 -0.03 0.03 0.06 -0.04 2.02 2.05 3i08A1 GLN 1509 HG2 -0.07 0.07 0.00 -0.04 2.40 2.36 3i08A1 GLN 1509 HG3 -0.06 -0.04 0.06 -0.04 2.39 2.31 3i08A1 GLN 1509 HE21 -0.31 0.05 -0.09 -0.04 6.97 6.59 3i08A1 GLN 1509 HE22 -0.14 0.06 -0.08 -0.04 7.69 7.48 3i08A1 CYS 1510 H -0.02 0.15 -0.62 -0.55 8.50 7.47 3i08A1 CYS 1510 HA 0.06 0.10 0.56 -0.75 4.58 4.55 3i08A1 CYS 1510 HB2 0.04 0.19 0.00 -0.04 2.97 3.16 3i08A1 CYS 1510 HB3 0.15 -0.01 0.10 -0.04 2.97 3.16 3i08A1 ASN 1511 H 0.04 0.54 -0.42 -0.55 8.53 8.14 3i08A1 ASN 1511 HA 0.12 -0.08 0.58 -0.75 4.76 4.62 3i08A1 ASN 1511 HB2 0.06 -0.02 -0.08 -0.04 2.88 2.81 3i08A1 ASN 1511 HB3 0.06 0.15 0.21 -0.04 2.79 3.17 3i08A1 ASN 1511 HD21 0.09 0.03 -0.07 -0.04 7.03 7.04 3i08A1 ASN 1511 HD22 0.06 -0.01 -0.02 -0.04 7.74 7.73 3i08A1 SER 1512 H -0.04 0.23 0.16 -0.55 8.46 8.27 3i08A1 SER 1512 HA 0.05 0.16 0.42 -0.75 4.49 4.37 3i08A1 SER 1512 HB2 -0.02 -0.01 0.14 -0.04 3.95 4.02 3i08A1 SER 1512 HB3 0.02 0.28 -0.21 -0.04 3.93 3.99 3i08A1 ALA 1513 H -0.24 0.26 0.16 -0.55 8.40 8.03 3i08A1 ALA 1513 HA -1.36 0.09 0.27 -0.75 4.34 2.58 3i08A1 ALA 1513 HB3 -0.12 0.04 0.12 -0.04 1.41 1.41 3i08A1 GLY 1514 H -0.15 0.04 -0.23 -0.55 8.43 7.54 3i08A1 GLY 1514 HA2 -0.10 0.14 0.52 -0.51 4.01 4.06 3i08A1 GLY 1514 HA3 -0.04 0.24 0.34 -0.51 4.01 4.04 3i08A1 CYS 1515 H -0.12 0.14 -0.27 -0.55 8.50 7.69 3i08A1 CYS 1515 HA 0.16 0.16 0.77 -0.75 4.58 4.91 3i08A1 CYS 1515 HB2 0.04 0.02 0.04 -0.04 2.97 3.03 3i08A1 CYS 1515 HB3 0.18 -0.03 0.24 -0.04 2.97 3.32 3i08A1 LEU 1516 H -0.26 0.26 -0.56 -0.55 8.37 7.26 3i08A1 LEU 1516 HA -0.32 0.13 0.27 -0.75 4.35 3.68 3i08A1 LEU 1516 HB2 0.01 -0.03 0.01 -0.04 1.64 1.60 3i08A1 LEU 1516 HB3 -0.17 0.04 0.08 -0.04 1.64 1.54 3i08A1 LEU 1516 HG -0.42 -0.11 -0.55 -0.04 1.64 0.52 3i08A1 LEU 1516 HD13 -1.28 -0.01 -0.18 -0.04 0.93 -0.58 3i08A1 LEU 1516 HD23 -0.36 0.09 -0.02 -0.04 0.89 0.57 3i08A1 PHE 1517 H -0.39 0.44 -0.20 -0.55 8.34 7.63 3i08A1 PHE 1517 HA -0.00 -0.13 0.30 -0.75 4.62 4.03 3i08A1 PHE 1517 HB2 -0.44 0.14 -0.21 -0.04 3.15 2.59 3i08A1 PHE 1517 HB3 -0.02 -0.02 0.10 -0.04 3.06 3.08 3i08A1 PHE 1517 HD2 -0.05 0.05 -0.19 -0.04 7.28 7.06 3i08A1 PHE 1517 HE2 0.05 0.04 -0.04 -0.04 7.38 7.39 3i08A1 PHE 1517 HZ 0.05 0.03 -0.00 -0.04 7.32 7.35 3i08A1 ASP 1518 H 0.13 0.51 -0.23 -0.55 8.40 8.27 3i08A1 ASP 1518 HA 0.20 0.12 0.27 -0.75 4.63 4.46 3i08A1 ASP 1518 HB2 0.06 0.03 -0.29 -0.04 2.71 2.47 3i08A1 ASP 1518 HB3 0.03 -0.08 -0.08 -0.04 2.70 2.52 3i08A1 GLY 1519 H -0.03 0.74 -0.23 -0.55 8.43 8.37 3i08A1 GLY 1519 HA2 -0.55 0.13 0.33 -0.51 4.01 3.40 3i08A1 GLY 1519 HA3 -0.96 -0.06 0.50 -0.51 4.01 2.98 3i08A1 PHE 1520 H -0.23 0.77 -0.11 -0.55 8.34 8.21 3i08A1 PHE 1520 HA -0.08 -0.06 0.32 -0.75 4.62 4.05 3i08A1 PHE 1520 HB2 -0.27 0.28 0.02 -0.04 3.15 3.14 3i08A1 PHE 1520 HB3 -0.24 -0.08 0.20 -0.04 3.06 2.90 3i08A1 PHE 1520 HD2 -0.38 0.00 -0.06 -0.04 7.28 6.80 3i08A1 PHE 1520 HE2 -0.26 0.03 -0.05 -0.04 7.38 7.06 3i08A1 PHE 1520 HZ -0.02 0.07 -0.06 -0.04 7.32 7.27 3i08A1 ASP 1521 H -0.04 0.46 -0.37 -0.55 8.40 7.90 3i08A1 ASP 1521 HA 0.01 0.13 0.50 -0.75 4.63 4.51 3i08A1 ASP 1521 HB2 -0.03 -0.06 0.04 -0.04 2.71 2.62 3i08A1 ASP 1521 HB3 -0.02 0.05 -0.47 -0.04 2.70 2.21 3i08A1 CYS 1522 H 0.05 0.07 -0.37 -0.55 8.50 7.70 3i08A1 CYS 1522 HA 0.01 0.21 0.68 -0.75 4.58 4.72 3i08A1 CYS 1522 HB2 0.06 0.01 -0.09 -0.04 2.97 2.91 3i08A1 CYS 1522 HB3 0.02 0.00 0.04 -0.04 2.97 2.99 3i08A1 GLN 1523 H 0.08 0.31 -0.51 -0.55 8.47 7.80 3i08A1 GLN 1523 HA 0.02 -0.02 0.37 -0.75 4.36 3.98 3i08A1 GLN 1523 HB2 0.06 0.07 0.20 -0.04 2.15 2.44 3i08A1 GLN 1523 HB3 0.04 -0.01 0.16 -0.04 2.02 2.17 3i08A1 GLN 1523 HG2 0.03 0.04 0.03 -0.04 2.40 2.47 3i08A1 GLN 1523 HG3 -0.01 -0.02 -0.10 -0.04 2.39 2.22 3i08A1 GLN 1523 HE21 -0.33 0.04 0.02 -0.04 6.97 6.66 3i08A1 GLN 1523 HE22 0.13 0.05 0.01 -0.04 7.69 7.84 3i08A1 ARG 1524 H 0.01 0.15 0.30 -0.55 8.46 8.37 3i08A1 ARG 1524 HA 0.01 -0.04 0.32 -0.75 4.34 3.87 3i08A1 ARG 1524 HB2 0.01 -0.01 0.01 -0.04 1.90 1.87 3i08A1 ARG 1524 HB3 0.01 0.02 0.14 -0.04 1.80 1.93 3i08A1 ARG 1524 HG2 0.00 0.02 0.04 -0.04 1.67 1.70 3i08A1 ARG 1524 HG3 0.01 -0.02 0.03 -0.04 1.67 1.65 3i08A1 ARG 1524 HD2 0.01 -0.01 0.21 -0.04 3.22 3.39 3i08A1 ARG 1524 HD3 0.00 -0.01 0.03 -0.04 3.22 3.21 3i08A1 ALA 1525 H 0.00 0.03 0.13 -0.55 8.40 8.02 3i08A1 ALA 1525 HA -0.00 0.02 0.28 -0.75 4.34 3.89 3i08A1 ALA 1525 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.46 3i08A1 GLU 1526 H -0.01 0.13 -0.13 -0.55 8.60 8.04 3i08A1 GLU 1526 HA -0.05 0.16 0.95 -0.75 4.29 4.60 3i08A1 GLY 1527 H -0.04 0.10 0.11 -0.55 8.43 8.06 3i08A1 GLY 1527 HA2 -0.03 -0.02 0.30 -0.51 4.01 3.74 3i08A1 GLY 1527 HA3 -0.05 0.20 0.79 -0.51 4.01 4.44 3i08A1 GLN 1528 H -0.05 0.05 0.12 -0.55 8.47 8.05 3i08A1 GLN 1528 HA -0.10 0.18 0.73 -0.75 4.36 4.42 3i08A1 GLN 1528 HB2 -0.05 -0.05 0.02 -0.04 2.15 2.03 3i08A1 GLN 1528 HB3 -0.06 0.05 0.09 -0.04 2.02 2.07 3i08A1 GLN 1528 HG2 -0.04 -0.06 -0.04 -0.04 2.40 2.23 3i08A1 GLN 1528 HG3 -0.03 -0.02 0.03 -0.04 2.39 2.33 3i08A1 GLN 1528 HE21 -0.03 0.01 0.02 -0.04 6.97 6.93 3i08A1 GLN 1528 HE22 -0.04 -0.02 0.03 -0.04 7.69 7.62 3i08A1 CYS 1529 H -0.10 0.16 0.13 -0.55 8.50 8.14 3i08A1 CYS 1529 HA -0.08 -0.04 0.37 -0.75 4.58 4.07 3i08A1 CYS 1529 HB2 -0.10 0.27 0.19 -0.04 2.97 3.29 3i08A1 CYS 1529 HB3 -0.05 -0.07 0.07 -0.04 2.97 2.87 3i08A1 ASN 1530 H -0.02 0.10 0.08 -0.55 8.53 8.14 3i08A1 ASN 1530 HA -0.09 0.13 0.34 -0.75 4.76 4.38 3i08A1 ASN 1530 HB2 -0.04 0.10 0.13 -0.04 2.88 3.04 3i08A1 ASN 1530 HB3 -0.01 -0.06 0.08 -0.04 2.79 2.77 3i08A1 ASN 1530 HD21 -0.32 0.01 -0.00 -0.04 7.03 6.68 3i08A1 ASN 1530 HD22 -0.12 0.06 0.02 -0.04 7.74 7.66 3i08A1 PRO 1531 HA -0.04 0.12 0.42 -0.51 4.44 4.43 3i08A1 PRO 1531 HB2 -0.07 0.02 0.02 -0.04 2.28 2.22 3i08A1 PRO 1531 HB3 -0.04 0.07 0.12 -0.04 2.02 2.12 3i08A1 PRO 1531 HG2 -0.07 0.05 0.10 -0.04 2.03 2.07 3i08A1 PRO 1531 HG3 -0.06 0.11 0.10 -0.04 2.03 2.14 3i08A1 PRO 1531 HD2 -0.13 0.01 0.21 -0.04 3.68 3.73 3i08A1 PRO 1531 HD3 -0.09 0.19 0.20 -0.04 3.65 3.91 3i08A1 LEU 1532 H -0.20 0.16 -0.05 -0.55 8.37 7.73 3i08A1 LEU 1532 HA -0.10 0.10 0.50 -0.75 4.35 4.09 3i08A1 LEU 1532 HB2 -0.22 0.01 0.10 -0.04 1.64 1.49 3i08A1 LEU 1532 HB3 -0.59 -0.03 -0.01 -0.04 1.64 0.97 3i08A1 LEU 1532 HG -0.28 0.02 -0.08 -0.04 1.64 1.26 3i08A1 LEU 1532 HD13 -0.08 0.01 0.04 -0.04 0.93 0.86 3i08A1 LEU 1532 HD23 -0.32 0.00 -0.02 -0.04 0.89 0.51 3i08A1 TYR 1533 H -0.16 0.26 -0.59 -0.55 8.29 7.24 3i08A1 TYR 1533 HA 0.00 0.21 0.92 -0.75 4.56 4.94 3i08A1 TYR 1533 HB2 -0.03 0.07 -0.05 -0.04 3.06 3.01 3i08A1 TYR 1533 HB3 -0.04 -0.03 0.07 -0.04 2.98 2.94 3i08A1 TYR 1533 HD2 -0.06 0.09 -0.09 -0.04 7.15 7.05 3i08A1 TYR 1533 HE2 -0.06 0.02 -0.05 -0.04 6.85 6.72 3i08A1 ASP 1534 H 0.03 0.32 -0.10 -0.55 8.40 8.10 3i08A1 ASP 1534 HA 0.07 0.05 0.30 -0.75 4.63 4.30 3i08A1 ASP 1534 HB2 -0.00 0.10 0.11 -0.04 2.71 2.87 3i08A1 ASP 1534 HB3 0.01 -0.01 0.07 -0.04 2.70 2.73 3i08A1 GLN 1535 H 0.07 0.24 -0.12 -0.55 8.47 8.11 3i08A1 GLN 1535 HA 0.04 0.05 0.37 -0.75 4.36 4.06 3i08A1 GLN 1535 HB2 0.04 0.03 0.08 -0.04 2.15 2.27 3i08A1 GLN 1535 HB3 0.09 0.02 -0.03 -0.04 2.02 2.06 3i08A1 GLN 1535 HG2 0.03 0.02 -0.02 -0.04 2.40 2.39 3i08A1 GLN 1535 HG3 0.05 0.02 -0.13 -0.04 2.39 2.29 3i08A1 GLN 1535 HE21 -0.02 0.01 0.02 -0.04 6.97 6.95 3i08A1 GLN 1535 HE22 0.00 0.02 0.01 -0.04 7.69 7.68 3i08A1 TYR 1536 H 0.24 0.22 -0.44 -0.55 8.29 7.75 3i08A1 TYR 1536 HA 0.16 0.08 0.35 -0.75 4.56 4.40 3i08A1 TYR 1536 HB2 0.05 -0.02 0.03 -0.04 3.06 3.07 3i08A1 TYR 1536 HB3 0.05 0.14 0.03 -0.04 2.98 3.15 3i08A1 TYR 1536 HD2 -0.04 0.02 -0.29 -0.04 7.15 6.80 3i08A1 TYR 1536 HE2 -0.25 -0.02 -0.08 -0.04 6.85 6.46 3i08A1 CYS 1537 H 0.21 0.36 -0.27 -0.55 8.50 8.25 3i08A1 CYS 1537 HA 0.23 0.08 0.56 -0.75 4.58 4.70 3i08A1 CYS 1537 HB2 0.14 0.08 0.08 -0.04 2.97 3.22 3i08A1 CYS 1537 HB3 0.13 0.02 0.05 -0.04 2.97 3.13 3i08A1 LYS 1538 H 0.07 0.66 0.11 -0.55 8.42 8.71 3i08A1 LYS 1538 HA 0.00 0.04 0.47 -0.75 4.32 4.08 3i08A1 LYS 1538 HB2 -0.00 0.03 0.09 -0.04 1.87 1.95 3i08A1 LYS 1538 HB3 -0.00 0.06 0.10 -0.04 1.79 1.91 3i08A1 LYS 1538 HG2 -0.03 0.00 -0.02 -0.04 1.46 1.37 3i08A1 LYS 1538 HG3 -0.06 -0.01 0.02 -0.04 1.46 1.37 3i08A1 LYS 1538 HD2 -0.11 -0.02 -0.02 -0.04 1.69 1.49 3i08A1 LYS 1538 HD3 -0.06 0.02 -0.03 -0.04 1.68 1.57 3i08A1 LYS 1538 HE2 -0.09 0.03 -0.09 -0.04 2.99 2.80 3i08A1 LYS 1538 HE3 -0.22 -0.03 -0.03 -0.04 2.99 2.67 3i08A1 ASP 1539 H 0.01 0.37 -0.36 -0.55 8.40 7.88 3i08A1 ASP 1539 HA -0.09 0.05 0.19 -0.75 4.63 4.03 3i08A1 ASP 1539 HB2 -0.11 0.08 0.09 -0.04 2.71 2.72 3i08A1 ASP 1539 HB3 -0.29 -0.04 0.10 -0.04 2.70 2.43 3i08A1 HIS 1540 H 0.06 0.18 -0.59 -0.55 8.41 7.51 3i08A1 HIS 1540 HA -0.12 0.18 0.92 -0.75 4.63 4.86 3i08A1 HIS 1540 HB2 -0.18 0.03 0.04 -0.04 3.26 3.12 3i08A1 HIS 1540 HB3 -0.10 -0.11 0.09 -0.04 3.20 3.04 3i08A1 HIS 1540 HD2 -0.14 -0.04 -0.02 -0.04 6.97 6.73 3i08A1 HIS 1540 HE1 -0.44 -0.07 -0.04 -0.04 7.75 7.15 3i08A1 PHE 1541 H 0.19 0.33 -0.07 -0.55 8.34 8.23 3i08A1 PHE 1541 HA 0.02 -0.11 0.46 -0.75 4.62 4.23 3i08A1 PHE 1541 HB2 0.03 0.12 0.18 -0.04 3.15 3.44 3i08A1 PHE 1541 HB3 0.01 0.09 0.13 -0.04 3.06 3.25 3i08A1 PHE 1541 HD2 0.08 -0.01 -0.09 -0.04 7.28 7.22 3i08A1 PHE 1541 HE2 0.11 0.02 0.04 -0.04 7.38 7.51 3i08A1 PHE 1541 HZ 0.06 0.00 -0.05 -0.04 7.32 7.29 3i08A1 SER 1542 H -0.53 0.27 -0.00 -0.55 8.46 7.65 3i08A1 SER 1542 HA -0.35 0.05 0.43 -0.75 4.49 3.87 3i08A1 SER 1542 HB2 -1.08 -0.07 0.01 -0.04 3.95 2.77 3i08A1 SER 1542 HB3 -0.40 0.02 0.11 -0.04 3.93 3.62 3i08A1 ASP 1543 H -0.18 0.34 -0.25 -0.55 8.40 7.76 3i08A1 ASP 1543 HA -0.36 0.16 0.61 -0.75 4.63 4.29 3i08A1 ASP 1543 HB2 -0.09 -0.06 0.15 -0.04 2.71 2.67 3i08A1 ASP 1543 HB3 -0.18 0.10 -0.06 -0.04 2.70 2.52 3i08A1 GLY 1544 H -0.22 0.07 -0.54 -0.55 8.43 7.20 3i08A1 GLY 1544 HA2 -0.18 0.01 0.23 -0.51 4.01 3.56 3i08A1 GLY 1544 HA3 -0.31 0.08 0.35 -0.51 4.01 3.62 3i08A1 HIS 1545 H -0.09 0.13 -0.29 -0.55 8.41 7.62 3i08A1 HIS 1545 HA -0.03 0.13 0.75 -0.75 4.63 4.73 3i08A1 HIS 1545 HB2 0.00 -0.00 -0.09 -0.04 3.26 3.13 3i08A1 HIS 1545 HB3 0.01 -0.03 -0.09 -0.04 3.20 3.05 3i08A1 HIS 1545 HD2 -0.03 -0.01 -0.06 -0.04 6.97 6.83 3i08A1 HIS 1545 HE1 -0.01 -0.06 0.01 -0.04 7.75 7.64 3i08A1 CYS 1546 H 0.09 0.16 0.06 -0.55 8.50 8.26 3i08A1 CYS 1546 HA 0.03 0.06 0.36 -0.75 4.58 4.27 3i08A1 CYS 1546 HB2 0.01 0.20 -0.10 -0.04 2.97 3.04 3i08A1 CYS 1546 HB3 0.02 0.00 0.11 -0.04 2.97 3.06 3i08A1 ASP 1547 H 0.06 0.25 0.06 -0.55 8.40 8.22 3i08A1 ASP 1547 HA 0.02 0.18 0.88 -0.75 4.63 4.97 3i08A1 ASP 1547 HB2 0.12 -0.01 0.11 -0.04 2.71 2.90 3i08A1 ASP 1547 HB3 0.11 -0.04 -0.00 -0.04 2.70 2.72 3i08A1 GLN 1548 H -0.01 0.26 -0.05 -0.55 8.47 8.13 3i08A1 GLN 1548 HA 0.01 0.09 0.37 -0.75 4.36 4.08 3i08A1 GLN 1548 HB2 -0.03 -0.02 0.10 -0.04 2.15 2.16 3i08A1 GLN 1548 HB3 -0.02 0.06 -0.06 -0.04 2.02 1.96 3i08A1 GLN 1548 HG2 -0.00 0.02 0.00 -0.04 2.40 2.38 3i08A1 GLN 1548 HG3 -0.00 0.05 0.00 -0.04 2.39 2.40 3i08A1 GLN 1548 HE21 0.03 0.07 -0.03 -0.04 6.97 6.99 3i08A1 GLN 1548 HE22 0.01 0.02 -0.05 -0.04 7.69 7.64 3i08A1 GLY 1549 H -0.09 0.14 -0.15 -0.55 8.43 7.78 3i08A1 GLY 1549 HA2 -0.11 0.08 0.27 -0.51 4.01 3.74 3i08A1 GLY 1549 HA3 -0.20 0.04 0.24 -0.51 4.01 3.58 3i08A1 CYS 1550 H -0.01 0.26 -1.31 -0.55 8.50 6.89 3i08A1 CYS 1550 HA -0.00 0.12 0.71 -0.75 4.58 4.65 3i08A1 CYS 1550 HB2 0.10 0.02 -0.04 -0.04 2.97 3.02 3i08A1 CYS 1550 HB3 0.12 -0.03 0.12 -0.04 2.97 3.14 3i08A1 ASN 1551 H -0.01 0.79 -0.16 -0.55 8.53 8.61 3i08A1 ASN 1551 HA 0.09 -0.04 0.39 -0.75 4.76 4.44 3i08A1 ASN 1551 HB2 0.06 -0.03 -0.07 -0.04 2.88 2.81 3i08A1 ASN 1551 HB3 0.04 0.16 0.24 -0.04 2.79 3.19 3i08A1 ASN 1551 HD21 0.11 0.04 -0.06 -0.04 7.03 7.08 3i08A1 ASN 1551 HD22 0.06 -0.02 0.01 -0.04 7.74 7.76 3i08A1 SER 1552 H -0.19 0.28 -0.26 -0.55 8.46 7.73 3i08A1 SER 1552 HA -0.26 0.25 0.61 -0.75 4.49 4.34 3i08A1 SER 1552 HB2 -0.20 0.01 0.11 -0.04 3.95 3.83 3i08A1 SER 1552 HB3 -0.11 0.15 -0.14 -0.04 3.93 3.78 3i08A1 ALA 1553 H -0.54 0.25 0.10 -0.55 8.40 7.67 3i08A1 ALA 1553 HA -2.64 0.11 0.46 -0.75 4.34 1.52 3i08A1 ALA 1553 HB3 -0.21 0.04 0.09 -0.04 1.41 1.28 3i08A1 GLU 1554 H -0.37 0.06 -0.27 -0.55 8.60 7.48 3i08A1 GLU 1554 HA -0.34 0.24 0.32 -0.75 4.29 3.75 3i08A1 GLU 1554 HB2 -0.16 -0.03 -0.45 -0.04 2.09 1.41 3i08A1 GLU 1554 HB3 -0.18 0.16 -0.33 -0.04 1.99 1.60 3i08A1 GLU 1554 HG2 -0.16 0.03 -0.05 -0.04 2.34 2.12 3i08A1 GLU 1554 HG3 -0.18 -0.15 -0.08 -0.04 2.34 1.88 3i08A1 CYS 1555 H -0.40 0.26 -0.42 -0.55 8.50 7.40 3i08A1 CYS 1555 HA -0.15 0.26 0.99 -0.75 4.58 4.93 3i08A1 CYS 1555 HB2 -0.08 -0.01 0.06 -0.04 2.97 2.90 3i08A1 CYS 1555 HB3 -0.01 0.01 0.19 -0.04 2.97 3.12 3i08A1 GLU 1556 H -0.47 0.41 -0.16 -0.55 8.60 7.83 3i08A1 GLU 1556 HA 0.02 0.15 0.27 -0.75 4.29 3.98 3i08A1 GLU 1556 HB2 0.11 0.12 -0.07 -0.04 2.09 2.21 3i08A1 GLU 1556 HB3 0.34 -0.05 0.19 -0.04 1.99 2.43 3i08A1 GLU 1556 HG2 -0.05 -0.04 -0.26 -0.04 2.34 1.95 3i08A1 GLU 1556 HG3 -0.04 0.17 -0.10 -0.04 2.34 2.33 3i08A1 TRP 1557 H -0.43 0.49 -0.20 -0.55 7.97 7.28 3i08A1 TRP 1557 HA 0.02 -0.10 0.25 -0.75 4.62 4.03 3i08A1 TRP 1557 HB2 0.02 0.10 -0.36 -0.04 3.23 2.95 3i08A1 TRP 1557 HB3 0.00 -0.04 0.00 -0.04 3.23 3.15 3i08A1 TRP 1557 HD1 -0.00 0.05 -0.26 -0.04 7.22 6.97 3i08A1 TRP 1557 HE1 -0.02 0.01 -0.10 -0.04 10.20 10.05 3i08A1 TRP 1557 HE3 0.02 0.00 -0.37 -0.04 7.59 7.20 3i08A1 TRP 1557 HZ2 -0.04 -0.01 -0.00 -0.04 7.44 7.35 3i08A1 TRP 1557 HZ3 -0.04 0.10 -0.28 -0.04 7.13 6.88 3i08A1 TRP 1557 HH2 -0.06 0.16 -0.03 -0.04 7.19 7.21 3i08A1 ASP 1558 H 0.14 0.51 -0.08 -0.55 8.40 8.42 3i08A1 ASP 1558 HA 0.19 0.12 0.31 -0.75 4.63 4.50 3i08A1 ASP 1558 HB2 0.09 0.06 -0.25 -0.04 2.71 2.57 3i08A1 ASP 1558 HB3 0.07 -0.11 -0.14 -0.04 2.70 2.48 3i08A1 GLY 1559 H 0.29 0.72 -0.34 -0.55 8.43 8.56 3i08A1 GLY 1559 HA2 -0.04 0.12 0.32 -0.51 4.01 3.90 3i08A1 GLY 1559 HA3 -1.12 -0.06 0.43 -0.51 4.01 2.75 3i08A1 LEU 1560 H 0.09 0.59 -0.15 -0.55 8.37 8.36 3i08A1 LEU 1560 HA 0.02 -0.00 0.24 -0.75 4.35 3.85 3i08A1 LEU 1560 HB2 -0.06 0.26 0.08 -0.04 1.64 1.88 3i08A1 LEU 1560 HB3 -0.04 -0.01 0.10 -0.04 1.64 1.64 3i08A1 LEU 1560 HG 0.01 -0.04 -0.41 -0.04 1.64 1.15 3i08A1 LEU 1560 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.75 3i08A1 LEU 1560 HD23 -0.06 0.01 -0.07 -0.04 0.89 0.72 3i08A1 ASP 1561 H -0.05 0.43 -0.36 -0.55 8.40 7.87 3i08A1 ASP 1561 HA -0.07 0.11 0.20 -0.75 4.63 4.11 3i08A1 ASP 1561 HB2 -0.02 0.03 0.08 -0.04 2.71 2.75 3i08A1 ASP 1561 HB3 -0.03 -0.06 -0.45 -0.04 2.70 2.12 3i08A1 CYS 1562 H 0.02 0.15 -0.42 -0.55 8.50 7.70 3i08A1 CYS 1562 HA -0.01 0.17 0.65 -0.75 4.58 4.63 3i08A1 CYS 1562 HB2 0.06 0.05 -0.13 -0.04 2.97 2.91 3i08A1 CYS 1562 HB3 0.03 0.02 0.04 -0.04 2.97 3.01 3i08A1 ALA 1563 H -0.03 0.43 -0.48 -0.55 8.40 7.77 3i08A1 ALA 1563 HA -0.03 0.18 0.79 -0.75 4.34 4.53 3i08A1 ALA 1563 HB3 -0.04 0.03 0.02 -0.04 1.41 1.38 3i08A1 GLU 1564 H -0.11 0.12 -0.47 -0.55 8.60 7.59 3i08A1 GLU 1564 HA -0.10 0.12 0.35 -0.75 4.29 3.91 3i08A1 GLU 1564 HB2 -0.16 0.09 0.01 -0.04 2.09 1.99 3i08A1 GLU 1564 HB3 -0.41 -0.06 0.01 -0.04 1.99 1.49 3i08A1 GLU 1564 HG2 -0.12 0.02 -0.02 -0.04 2.34 2.18 3i08A1 GLU 1564 HG3 -0.13 0.02 -0.02 -0.04 2.34 2.17 3i08A1 HIS 1565 H -0.19 0.08 -0.24 -0.55 8.41 7.52 3i08A1 HIS 1565 HA -0.01 0.16 0.59 -0.75 4.63 4.62 3i08A1 HIS 1565 HB2 -0.01 0.00 0.01 -0.04 3.26 3.23 3i08A1 HIS 1565 HB3 -0.01 0.00 0.15 -0.04 3.20 3.31 3i08A1 HIS 1565 HD2 -0.00 0.07 -0.12 -0.04 6.97 6.88 3i08A1 HIS 1565 HE1 0.00 -0.01 -0.02 -0.04 7.75 7.68 3i08A1 VAL 1566 H -0.00 0.48 -0.77 -0.55 8.24 7.40 3i08A1 VAL 1566 HA 0.01 0.17 0.97 -0.75 4.13 4.53 3i08A1 VAL 1566 HB -0.04 0.07 0.11 -0.04 2.12 2.22 3i08A1 VAL 1566 HG13 -0.04 0.05 -0.04 -0.04 0.97 0.90 3i08A1 VAL 1566 HG23 -0.00 -0.06 -0.17 -0.04 0.95 0.68 3i08A1 PRO 1567 HA -0.00 -0.01 0.38 -0.51 4.44 4.29 3i08A1 PRO 1567 HB2 -0.01 0.13 -0.00 -0.04 2.28 2.35 3i08A1 PRO 1567 HB3 -0.00 -0.03 0.11 -0.04 2.02 2.06 3i08A1 PRO 1567 HG2 -0.01 0.05 0.01 -0.04 2.03 2.03 3i08A1 PRO 1567 HG3 -0.00 -0.00 0.06 -0.04 2.03 2.04 3i08A1 PRO 1567 HD2 0.00 0.09 0.24 -0.04 3.68 3.97 3i08A1 PRO 1567 HD3 0.01 0.13 0.07 -0.04 3.65 3.81 3i08A1 GLU 1568 H -0.01 0.01 0.14 -0.55 8.60 8.19 3i08A1 GLU 1568 HA -0.04 0.21 0.48 -0.75 4.29 4.19 3i08A1 GLU 1568 HB2 -0.02 -0.09 0.11 -0.04 2.09 2.05 3i08A1 GLU 1568 HB3 -0.02 0.07 0.10 -0.04 1.99 2.10 3i08A1 GLU 1568 HG2 -0.01 -0.03 0.05 -0.04 2.34 2.31 3i08A1 GLU 1568 HG3 -0.01 -0.08 -0.14 -0.04 2.34 2.08 3i08A1 ARG 1569 H -0.03 0.12 -0.04 -0.55 8.46 7.96 3i08A1 ARG 1569 HA -0.02 0.12 0.61 -0.75 4.34 4.30 3i08A1 ARG 1569 HB2 -0.06 0.00 -0.15 -0.04 1.90 1.64 3i08A1 ARG 1569 HB3 -0.05 -0.02 0.16 -0.04 1.80 1.85 3i08A1 ARG 1569 HG2 -0.02 0.03 0.08 -0.04 1.67 1.71 3i08A1 ARG 1569 HG3 -0.04 0.05 -0.12 -0.04 1.67 1.51 3i08A1 ARG 1569 HD2 -0.05 -0.03 -0.01 -0.04 3.22 3.09 3i08A1 ARG 1569 HD3 -0.02 -0.00 -0.03 -0.04 3.22 3.12 3i08A1 LEU 1570 H -0.01 0.09 0.01 -0.55 8.37 7.92 3i08A1 LEU 1570 HA -0.01 0.02 0.39 -0.75 4.35 4.00 3i08A1 LEU 1570 HB2 0.00 -0.01 0.02 -0.04 1.64 1.62 3i08A1 LEU 1570 HB3 0.01 0.14 0.12 -0.04 1.64 1.86 3i08A1 LEU 1570 HG -0.00 -0.09 0.05 -0.04 1.64 1.56 3i08A1 LEU 1570 HD13 0.01 0.01 0.02 -0.04 0.93 0.93 3i08A1 LEU 1570 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.80 3i08A1 ALA 1571 H 0.00 0.08 0.18 -0.55 8.40 8.11 3i08A1 ALA 1571 HA 0.01 0.04 0.66 -0.75 4.34 4.31 3i08A1 ALA 1571 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 3i08A1 ALA 1572 H 0.02 0.06 0.10 -0.55 8.40 8.03 3i08A1 ALA 1572 HA 0.01 0.06 0.52 -0.75 4.34 4.19 3i08A1 ALA 1572 HB3 0.02 -0.01 0.09 -0.04 1.41 1.47 3i08A1 GLY 1573 H 0.02 0.09 0.15 -0.55 8.43 8.15 3i08A1 GLY 1573 HA2 0.02 -0.01 0.26 -0.51 4.01 3.77 3i08A1 GLY 1573 HA3 0.02 0.14 0.38 -0.51 4.01 4.03 3i08A1 THR 1574 H 0.03 0.27 0.15 -0.55 8.28 8.18 3i08A1 THR 1574 HA 0.03 0.14 0.72 -0.75 4.39 4.53 3i08A1 THR 1574 HB 0.04 -0.05 0.00 -0.04 4.32 4.27 3i08A1 THR 1574 HG23 0.06 -0.00 -0.20 -0.04 1.22 1.03 3i08A1 LEU 1575 H 0.02 0.18 0.11 -0.55 8.37 8.14 3i08A1 LEU 1575 HA 0.02 0.11 0.73 -0.75 4.35 4.46 3i08A1 LEU 1575 HB2 -0.00 -0.01 0.06 -0.04 1.64 1.65 3i08A1 LEU 1575 HB3 -0.00 0.00 0.06 -0.04 1.64 1.66 3i08A1 LEU 1575 HG -0.03 0.00 -0.05 -0.04 1.64 1.52 3i08A1 LEU 1575 HD13 -0.01 0.01 -0.23 -0.04 0.93 0.66 3i08A1 LEU 1575 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.84 3i08A1 VAL 1576 H 0.03 0.23 0.14 -0.55 8.24 8.10 3i08A1 VAL 1576 HA 0.06 0.18 0.97 -0.75 4.13 4.59 3i08A1 VAL 1576 HB 0.04 0.00 0.12 -0.04 2.12 2.24 3i08A1 VAL 1576 HG13 0.04 -0.00 -0.20 -0.04 0.97 0.77 3i08A1 VAL 1576 HG23 0.05 0.01 -0.17 -0.04 0.95 0.80 3i08A1 VAL 1577 H 0.06 0.26 0.14 -0.55 8.24 8.16 3i08A1 VAL 1577 HA 0.01 0.21 0.88 -0.75 4.13 4.48 3i08A1 VAL 1577 HB 0.12 -0.01 -0.02 -0.04 2.12 2.17 3i08A1 VAL 1577 HG13 0.09 -0.01 -0.22 -0.04 0.97 0.79 3i08A1 VAL 1577 HG23 0.05 0.00 -0.25 -0.04 0.95 0.71 3i08A1 VAL 1578 H -0.06 0.26 0.08 -0.55 8.24 7.97 3i08A1 VAL 1578 HA -0.18 0.15 0.78 -0.75 4.13 4.13 3i08A1 VAL 1578 HB -0.25 0.02 0.11 -0.04 2.12 1.95 3i08A1 VAL 1578 HG13 -1.00 -0.01 -0.20 -0.04 0.97 -0.28 3i08A1 VAL 1578 HG23 -0.21 0.01 -0.14 -0.04 0.95 0.57 3i08A1 VAL 1579 H -0.13 0.21 -0.00 -0.55 8.24 7.77 3i08A1 VAL 1579 HA -0.08 0.15 0.81 -0.75 4.13 4.26 3i08A1 VAL 1579 HB -0.16 0.04 -0.17 -0.04 2.12 1.79 3i08A1 VAL 1579 HG13 -0.10 0.06 -0.09 -0.04 0.97 0.80 3i08A1 VAL 1579 HG23 -0.22 0.00 -0.14 -0.04 0.95 0.56 3i08A1 LEU 1580 H -0.05 0.15 0.09 -0.55 8.37 8.01 3i08A1 LEU 1580 HA -0.01 0.05 0.65 -0.75 4.35 4.28 3i08A1 LEU 1580 HB2 -0.01 0.01 0.12 -0.04 1.64 1.72 3i08A1 LEU 1580 HB3 0.01 -0.01 0.06 -0.04 1.64 1.65 3i08A1 LEU 1580 HG -0.01 0.01 0.08 -0.04 1.64 1.68 3i08A1 LEU 1580 HD13 0.02 -0.00 0.01 -0.04 0.93 0.92 3i08A1 LEU 1580 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 3i08A1 MET 1581 H -0.02 0.14 -0.06 -0.55 8.47 7.98 3i08A1 MET 1581 HA -0.03 0.00 0.30 -0.75 4.52 4.03 3i08A1 MET 1581 HB2 -0.07 0.38 0.41 -0.04 2.15 2.84 3i08A1 MET 1581 HB3 -0.11 -0.05 -0.19 -0.04 2.03 1.64 3i08A1 MET 1581 HG2 -0.07 0.04 -0.19 -0.04 2.63 2.38 3i08A1 MET 1581 HG3 -0.04 -0.04 0.01 -0.04 2.56 2.45 3i08A1 MET 1581 HE3 -0.01 -0.02 -0.09 -0.04 2.10 1.94 3i08A1 PRO 1582 HA -0.04 0.14 0.55 -0.51 4.44 4.58 3i08A1 PRO 1582 HB2 -0.03 -0.14 0.01 -0.04 2.28 2.08 3i08A1 PRO 1582 HB3 -0.03 0.06 0.12 -0.04 2.02 2.14 3i08A1 PRO 1582 HG2 -0.01 0.06 0.08 -0.04 2.03 2.12 3i08A1 PRO 1582 HG3 -0.01 0.08 0.10 -0.04 2.03 2.16 3i08A1 PRO 1582 HD2 -0.02 0.13 0.17 -0.04 3.68 3.91 3i08A1 PRO 1582 HD3 -0.01 0.13 0.14 -0.04 3.65 3.86 3i08A1 PRO 1583 HA -0.10 0.15 0.38 -0.51 4.44 4.35 3i08A1 PRO 1583 HB2 -0.07 -0.05 0.11 -0.04 2.28 2.23 3i08A1 PRO 1583 HB3 -0.11 0.11 -0.06 -0.04 2.02 1.92 3i08A1 PRO 1583 HG2 -0.06 0.05 0.03 -0.04 2.03 2.01 3i08A1 PRO 1583 HG3 -0.06 0.17 -0.17 -0.04 2.03 1.92 3i08A1 PRO 1583 HD2 -0.05 0.08 0.24 -0.04 3.68 3.90 3i08A1 PRO 1583 HD3 -0.06 0.18 0.27 -0.04 3.65 4.00 3i08A1 GLU 1584 H -0.06 0.18 -0.05 -0.55 8.60 8.12 3i08A1 GLU 1584 HA -0.07 0.08 0.25 -0.75 4.29 3.80 3i08A1 GLN 1585 H -0.05 0.11 -0.59 -0.55 8.47 7.40 3i08A1 GLN 1585 HA -0.03 0.09 0.43 -0.75 4.36 4.11 3i08A1 GLN 1585 HB2 -0.03 -0.09 0.02 -0.04 2.15 2.01 3i08A1 GLN 1585 HB3 -0.04 0.11 -0.04 -0.04 2.02 2.01 3i08A1 GLN 1585 HG2 -0.01 0.01 0.08 -0.04 2.40 2.44 3i08A1 GLN 1585 HG3 -0.01 -0.02 0.01 -0.04 2.39 2.33 3i08A1 GLN 1585 HE21 -0.01 0.01 0.01 -0.04 6.97 6.94 3i08A1 GLN 1585 HE22 -0.02 -0.04 0.02 -0.04 7.69 7.61 3i08A1 LEU 1586 H -0.08 0.45 -0.17 -0.55 8.37 8.01 3i08A1 LEU 1586 HA -0.09 0.08 0.65 -0.75 4.35 4.24 3i08A1 LEU 1586 HB2 -0.16 0.03 -0.06 -0.04 1.64 1.41 3i08A1 LEU 1586 HB3 -0.14 0.08 0.10 -0.04 1.64 1.63 3i08A1 LEU 1586 HG -0.18 -0.02 -0.22 -0.04 1.64 1.18 3i08A1 LEU 1586 HD13 -0.42 -0.02 -0.06 -0.04 0.93 0.40 3i08A1 LEU 1586 HD23 -0.30 0.00 -0.09 -0.04 0.89 0.47 3i08A1 ARG 1587 H -0.12 0.60 0.02 -0.55 8.46 8.41 3i08A1 ARG 1587 HA -0.21 0.04 0.46 -0.75 4.34 3.88 3i08A1 ARG 1587 HB2 -0.10 0.08 -0.08 -0.04 1.90 1.76 3i08A1 ARG 1587 HB3 -0.17 -0.02 0.08 -0.04 1.80 1.65 3i08A1 ARG 1587 HG2 -0.20 -0.01 -0.04 -0.04 1.67 1.38 3i08A1 ARG 1587 HG3 -0.12 0.01 -0.22 -0.04 1.67 1.30 3i08A1 ARG 1587 HD2 -0.12 -0.07 -0.10 -0.04 3.22 2.89 3i08A1 ARG 1587 HD3 -0.12 0.01 -0.02 -0.04 3.22 3.05 3i08A1 ASN 1588 H -0.05 0.16 -0.67 -0.55 8.53 7.43 3i08A1 ASN 1588 HA -0.01 0.06 0.51 -0.75 4.76 4.57 3i08A1 ASN 1588 HB2 -0.01 0.13 0.12 -0.04 2.88 3.08 3i08A1 ASN 1588 HB3 0.01 -0.03 -0.06 -0.04 2.79 2.67 3i08A1 ASN 1588 HD21 -0.01 -0.06 -0.01 -0.04 7.03 6.91 3i08A1 ASN 1588 HD22 -0.00 -0.02 0.02 -0.04 7.74 7.69 3i08A1 SER 1589 H 0.00 0.28 -0.30 -0.55 8.46 7.89 3i08A1 SER 1589 HA 0.12 0.18 0.85 -0.75 4.49 4.89 3i08A1 SER 1589 HB2 0.22 -0.10 0.18 -0.04 3.95 4.21 3i08A1 SER 1589 HB3 0.10 0.03 -0.00 -0.04 3.93 4.02 3i08A1 SER 1590 H -0.02 0.32 -0.41 -0.55 8.46 7.81 3i08A1 SER 1590 HA 0.18 0.09 0.25 -0.75 4.49 4.26 3i08A1 SER 1590 HB2 -0.02 -0.05 0.03 -0.04 3.95 3.87 3i08A1 SER 1590 HB3 -0.18 0.10 0.14 -0.04 3.93 3.94 3i08A1 PHE 1591 H 0.07 0.19 -0.08 -0.55 8.34 7.96 3i08A1 PHE 1591 HA 0.29 0.09 0.48 -0.75 4.62 4.73 3i08A1 PHE 1591 HB2 0.18 -0.00 0.03 -0.04 3.15 3.32 3i08A1 PHE 1591 HB3 0.32 0.09 -0.03 -0.04 3.06 3.40 3i08A1 PHE 1591 HD2 0.12 -0.02 0.02 -0.04 7.28 7.35 3i08A1 PHE 1591 HE2 0.04 -0.00 0.03 -0.04 7.38 7.41 3i08A1 PHE 1591 HZ 0.02 -0.01 0.03 -0.04 7.32 7.31 3i08A1 HIS 1592 H 0.36 0.13 -0.29 -0.55 8.41 8.06 3i08A1 HIS 1592 HA 0.08 0.07 0.37 -0.75 4.63 4.39 3i08A1 HIS 1592 HB2 0.11 0.01 0.07 -0.04 3.26 3.41 3i08A1 HIS 1592 HB3 0.13 0.16 0.12 -0.04 3.20 3.56 3i08A1 HIS 1592 HD2 -0.00 -0.04 0.04 -0.04 6.97 6.93 3i08A1 HIS 1592 HE1 0.04 -0.01 -0.02 -0.04 7.75 7.71 3i08A1 PHE 1593 H 0.26 0.45 -0.17 -0.55 8.34 8.33 3i08A1 PHE 1593 HA -0.19 -0.01 0.36 -0.75 4.62 4.04 3i08A1 PHE 1593 HB2 -0.04 0.03 0.09 -0.04 3.15 3.19 3i08A1 PHE 1593 HB3 0.07 0.20 0.16 -0.04 3.06 3.45 3i08A1 PHE 1593 HD2 0.00 0.02 -0.04 -0.04 7.28 7.23 3i08A1 PHE 1593 HE2 -0.07 -0.00 -0.09 -0.04 7.38 7.19 3i08A1 PHE 1593 HZ -0.04 -0.02 -0.10 -0.04 7.32 7.12 3i08A1 LEU 1594 H 0.14 0.51 -0.11 -0.55 8.37 8.36 3i08A1 LEU 1594 HA -0.38 -0.03 0.46 -0.75 4.35 3.64 3i08A1 LEU 1594 HB2 0.29 0.06 0.20 -0.04 1.64 2.15 3i08A1 LEU 1594 HB3 0.15 0.06 0.04 -0.04 1.64 1.85 3i08A1 LEU 1594 HG -0.13 0.05 0.02 -0.04 1.64 1.53 3i08A1 LEU 1594 HD13 0.10 -0.01 0.00 -0.04 0.93 0.98 3i08A1 LEU 1594 HD23 -0.54 0.07 -0.27 -0.04 0.89 0.12 3i08A1 ARG 1595 H 0.05 0.88 0.01 -0.55 8.46 8.84 3i08A1 ARG 1595 HA -0.62 -0.01 0.47 -0.75 4.34 3.41 3i08A1 ARG 1595 HB2 -0.82 0.10 0.13 -0.04 1.90 1.27 3i08A1 ARG 1595 HB3 -0.25 0.04 0.11 -0.04 1.80 1.65 3i08A1 ARG 1595 HG2 -0.49 -0.04 -0.06 -0.04 1.67 1.04 3i08A1 ARG 1595 HG3 -1.68 -0.01 0.03 -0.04 1.67 -0.03 3i08A1 ARG 1595 HD2 -0.44 0.04 0.01 -0.04 3.22 2.79 3i08A1 ARG 1595 HD3 -0.27 0.02 0.04 -0.04 3.22 2.97 3i08A1 GLU 1596 H -0.14 0.65 -0.19 -0.55 8.60 8.39 3i08A1 GLU 1596 HA -0.10 -0.02 0.38 -0.75 4.29 3.79 3i08A1 GLU 1596 HB2 -0.20 0.19 0.21 -0.04 2.09 2.25 3i08A1 GLU 1596 HB3 -0.11 -0.07 -0.00 -0.04 1.99 1.77 3i08A1 GLU 1596 HG2 -0.03 0.14 0.05 -0.04 2.34 2.46 3i08A1 GLU 1596 HG3 -0.25 -0.06 -0.03 -0.04 2.34 1.95 3i08A1 LEU 1597 H -0.35 0.63 -0.02 -0.55 8.37 8.08 3i08A1 LEU 1597 HA -0.16 -0.01 0.35 -0.75 4.35 3.79 3i08A1 LEU 1597 HB2 -0.44 0.11 0.20 -0.04 1.64 1.47 3i08A1 LEU 1597 HB3 -0.22 -0.05 -0.03 -0.04 1.64 1.29 3i08A1 LEU 1597 HG -0.82 0.08 0.02 -0.04 1.64 0.88 3i08A1 LEU 1597 HD13 -0.41 -0.01 -0.08 -0.04 0.93 0.39 3i08A1 LEU 1597 HD23 -0.12 -0.02 -0.03 -0.04 0.89 0.68 3i08A1 SER 1598 H -0.12 0.67 -0.04 -0.55 8.46 8.42 3i08A1 SER 1598 HA 0.02 -0.07 0.20 -0.75 4.49 3.89 3i08A1 SER 1598 HB2 0.12 0.37 0.18 -0.04 3.95 4.57 3i08A1 SER 1598 HB3 0.06 -0.35 0.04 -0.04 3.93 3.64 3i08A1 ARG 1599 H -0.11 0.53 -0.34 -0.55 8.46 7.99 3i08A1 ARG 1599 HA -0.16 0.03 0.70 -0.75 4.34 4.15 3i08A1 ARG 1599 HB2 -0.15 -0.04 0.11 -0.04 1.90 1.78 3i08A1 ARG 1599 HB3 -0.10 0.15 0.23 -0.04 1.80 2.04 3i08A1 ARG 1599 HG2 -0.09 0.03 -0.27 -0.04 1.67 1.30 3i08A1 ARG 1599 HG3 -0.16 -0.04 0.05 -0.04 1.67 1.49 3i08A1 ARG 1599 HD2 -0.06 -0.06 0.00 -0.04 3.22 3.06 3i08A1 ARG 1599 HD3 -0.08 -0.05 0.02 -0.04 3.22 3.07 3i08A1 VAL 1600 H -0.03 0.57 0.08 -0.55 8.24 8.31 3i08A1 VAL 1600 HA 0.11 0.03 0.29 -0.75 4.13 3.81 3i08A1 VAL 1600 HB 0.08 -0.06 0.11 -0.04 2.12 2.21 3i08A1 VAL 1600 HG13 -0.01 0.06 0.09 -0.04 0.97 1.07 3i08A1 VAL 1600 HG23 0.05 0.01 -0.09 -0.04 0.95 0.88 3i08A1 LEU 1601 H 0.08 0.40 -0.28 -0.55 8.37 8.02 3i08A1 LEU 1601 HA 0.35 0.14 0.61 -0.75 4.35 4.69 3i08A1 LEU 1601 HB2 0.08 -0.04 -0.13 -0.04 1.64 1.51 3i08A1 LEU 1601 HB3 0.15 -0.06 -0.01 -0.04 1.64 1.67 3i08A1 LEU 1601 HG 0.04 0.05 -0.10 -0.04 1.64 1.60 3i08A1 LEU 1601 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.69 3i08A1 LEU 1601 HD23 0.07 -0.00 -0.09 -0.04 0.89 0.83 3i08A1 HIS 1602 H 0.08 0.43 -0.31 -0.55 8.41 8.07 3i08A1 HIS 1602 HA -0.06 0.07 0.39 -0.75 4.63 4.27 3i08A1 HIS 1602 HB2 -0.65 0.10 -0.17 -0.04 3.26 2.50 3i08A1 HIS 1602 HB3 -0.38 -0.12 0.17 -0.04 3.20 2.82 3i08A1 HIS 1602 HD2 -0.02 0.11 -0.56 -0.04 6.97 6.46 3i08A1 HIS 1602 HE1 -0.15 -0.07 0.02 -0.04 7.75 7.50 3i08A1 THR 1603 H 0.17 0.36 -0.08 -0.55 8.28 8.18 3i08A1 THR 1603 HA 0.19 0.07 0.52 -0.75 4.39 4.41 3i08A1 THR 1603 HB 0.08 0.14 -0.08 -0.04 4.32 4.42 3i08A1 THR 1603 HG23 0.09 0.01 -0.33 -0.04 1.22 0.95 3i08A1 ASN 1604 H 0.03 0.24 0.07 -0.55 8.53 8.33 3i08A1 ASN 1604 HA 0.15 0.18 0.96 -0.75 4.76 5.30 3i08A1 ASN 1604 HB2 -0.01 -0.02 0.03 -0.04 2.88 2.83 3i08A1 ASN 1604 HB3 0.06 0.06 -0.15 -0.04 2.79 2.72 3i08A1 ASN 1604 HD21 0.45 0.01 -0.24 -0.04 7.03 7.21 3i08A1 ASN 1604 HD22 0.27 0.02 -0.05 -0.04 7.74 7.94 3i08A1 VAL 1605 H 0.05 0.21 0.11 -0.55 8.24 8.06 3i08A1 VAL 1605 HA -0.04 0.16 0.90 -0.75 4.13 4.41 3i08A1 VAL 1605 HB -0.15 0.00 0.09 -0.04 2.12 2.02 3i08A1 VAL 1605 HG13 -0.17 0.02 -0.08 -0.04 0.97 0.69 3i08A1 VAL 1605 HG23 -0.06 -0.01 -0.21 -0.04 0.95 0.63 3i08A1 VAL 1606 H -0.05 0.18 0.14 -0.55 8.24 7.96 3i08A1 VAL 1606 HA -0.06 0.19 0.83 -0.75 4.13 4.34 3i08A1 VAL 1606 HB 0.05 0.04 0.09 -0.04 2.12 2.27 3i08A1 VAL 1606 HG13 0.02 0.01 -0.22 -0.04 0.97 0.74 3i08A1 VAL 1606 HG23 0.02 -0.01 -0.19 -0.04 0.95 0.73 3i08A1 PHE 1607 H 0.15 0.14 0.11 -0.55 8.34 8.19 3i08A1 PHE 1607 HA 0.04 0.09 0.73 -0.75 4.62 4.73 3i08A1 PHE 1607 HB2 -0.00 -0.03 0.11 -0.04 3.15 3.19 3i08A1 PHE 1607 HB3 -0.00 0.07 0.03 -0.04 3.06 3.12 3i08A1 PHE 1607 HD2 -0.00 0.05 -0.02 -0.04 7.28 7.26 3i08A1 PHE 1607 HE2 0.01 0.01 -0.08 -0.04 7.38 7.28 3i08A1 PHE 1607 HZ 0.19 0.00 -0.05 -0.04 7.32 7.42 3i08A1 LYS 1608 H 0.16 0.13 0.19 -0.55 8.42 8.35 3i08A1 LYS 1608 HA 0.08 0.08 0.53 -0.75 4.32 4.26 3i08A1 LYS 1608 HB2 0.09 0.02 0.17 -0.04 1.87 2.12 3i08A1 LYS 1608 HB3 0.12 -0.03 0.05 -0.04 1.79 1.89 3i08A1 LYS 1608 HG2 0.07 0.07 0.19 -0.04 1.46 1.75 3i08A1 LYS 1608 HG3 0.06 0.00 0.12 -0.04 1.46 1.60 3i08A1 LYS 1608 HD2 0.09 -0.03 0.00 -0.04 1.69 1.71 3i08A1 LYS 1608 HD3 0.08 0.04 -0.00 -0.04 1.68 1.75 3i08A1 LYS 1608 HE2 0.05 -0.01 0.01 -0.04 2.99 3.00 3i08A1 LYS 1608 HE3 0.05 -0.03 -0.00 -0.04 2.99 2.96 3i08A1 ARG 1609 H 0.07 0.18 0.19 -0.55 8.46 8.35 3i08A1 ARG 1609 HA 0.05 0.30 0.77 -0.75 4.34 4.70 3i08A1 ARG 1609 HB2 0.05 0.05 -0.00 -0.04 1.90 1.95 3i08A1 ARG 1609 HB3 0.04 -0.18 -0.08 -0.04 1.80 1.54 3i08A1 ARG 1609 HG2 0.08 0.12 -0.77 -0.04 1.67 1.05 3i08A1 ARG 1609 HG3 0.06 -0.01 -0.13 -0.04 1.67 1.55 3i08A1 ARG 1609 HD2 0.04 -0.04 -0.06 -0.04 3.22 3.12 3i08A1 ARG 1609 HD3 0.03 0.10 -0.41 -0.04 3.22 2.90 3i08A1 ASP 1610 H 0.04 0.13 0.11 -0.55 8.40 8.14 3i08A1 ASP 1610 HA 0.07 0.24 0.70 -0.75 4.63 4.89 3i08A1 ASP 1610 HB2 0.04 -0.18 0.25 -0.04 2.71 2.78 3i08A1 ASP 1610 HB3 0.06 0.12 0.06 -0.04 2.70 2.90 3i08A1 ALA 1611 H 0.11 0.16 0.16 -0.55 8.40 8.29 3i08A1 ALA 1611 HA 0.09 0.16 0.47 -0.75 4.34 4.31 3i08A1 ALA 1611 HB3 0.22 0.02 0.11 -0.04 1.41 1.72 3i08A1 HIS 1612 H 0.28 -0.05 -0.20 -0.55 8.41 7.89 3i08A1 HIS 1612 HA 0.01 0.21 0.39 -0.75 4.63 4.49 3i08A1 HIS 1612 HB2 0.00 -0.10 0.04 -0.04 3.26 3.17 3i08A1 HIS 1612 HB3 -0.00 0.08 0.07 -0.04 3.20 3.30 3i08A1 HIS 1612 HD2 0.00 0.03 0.00 -0.04 6.97 6.96 3i08A1 HIS 1612 HE1 0.02 0.02 -0.01 -0.04 7.75 7.73 3i08A1 GLY 1613 H 0.09 0.18 -0.35 -0.55 8.43 7.79 3i08A1 GLY 1613 HA2 0.04 0.07 0.23 -0.51 4.01 3.84 3i08A1 GLY 1613 HA3 0.03 0.17 0.59 -0.51 4.01 4.30 3i08A1 GLN 1614 H 0.05 -0.13 -0.24 -0.55 8.47 7.60 3i08A1 GLN 1614 HA -0.04 0.14 0.57 -0.75 4.36 4.27 3i08A1 GLN 1614 HB2 -0.05 -0.16 0.04 -0.04 2.15 1.94 3i08A1 GLN 1614 HB3 -0.11 0.13 -0.09 -0.04 2.02 1.92 3i08A1 GLN 1614 HG2 0.03 -0.02 -0.10 -0.04 2.40 2.27 3i08A1 GLN 1614 HG3 -0.05 0.00 -0.02 -0.04 2.39 2.28 3i08A1 GLN 1614 HE21 -0.08 0.02 0.02 -0.04 6.97 6.89 3i08A1 GLN 1614 HE22 -0.11 0.02 0.01 -0.04 7.69 7.57 3i08A1 GLN 1615 H -0.13 0.13 0.14 -0.55 8.47 8.07 3i08A1 GLN 1615 HA -0.05 0.23 0.51 -0.75 4.36 4.29 3i08A1 GLN 1615 HB2 -0.37 -0.06 0.15 -0.04 2.15 1.83 3i08A1 GLN 1615 HB3 -0.60 0.02 -0.05 -0.04 2.02 1.35 3i08A1 GLN 1615 HG2 -0.08 0.07 0.01 -0.04 2.40 2.36 3i08A1 GLN 1615 HG3 -0.15 0.00 0.09 -0.04 2.39 2.30 3i08A1 GLN 1615 HE21 -0.31 -0.01 0.01 -0.04 6.97 6.62 3i08A1 GLN 1615 HE22 -0.06 0.04 0.02 -0.04 7.69 7.65 3i08A1 MET 1616 H 0.01 0.57 0.17 -0.55 8.47 8.67 3i08A1 MET 1616 HA -0.34 0.02 0.35 -0.75 4.52 3.79 3i08A1 MET 1616 HB2 0.14 0.02 0.07 -0.04 2.15 2.34 3i08A1 MET 1616 HB3 0.32 -0.01 0.03 -0.04 2.03 2.33 3i08A1 MET 1616 HG2 0.22 -0.02 -0.11 -0.04 2.63 2.67 3i08A1 MET 1616 HG3 0.06 0.02 -0.20 -0.04 2.56 2.40 3i08A1 MET 1616 HE3 0.19 -0.00 -0.06 -0.04 2.10 2.18 3i08A1 ILE 1617 H -0.55 0.47 0.37 -0.55 8.25 8.00 3i08A1 ILE 1617 HA -0.08 0.14 0.76 -0.75 4.18 4.25 3i08A1 ILE 1617 HB -0.31 -0.00 0.08 -0.04 1.89 1.61 3i08A1 ILE 1617 HG12 -0.21 0.03 -0.10 -0.04 1.49 1.16 3i08A1 ILE 1617 HG13 -0.38 -0.05 -0.56 -0.04 1.21 0.18 3i08A1 ILE 1617 HG23 -0.15 -0.01 -0.12 -0.04 0.93 0.61 3i08A1 ILE 1617 HD13 -0.61 -0.01 -0.10 -0.04 0.88 0.12 3i08A1 PHE 1618 H 0.10 0.28 0.15 -0.55 8.34 8.32 3i08A1 PHE 1618 HA -0.04 0.19 0.99 -0.75 4.62 5.01 3i08A1 PHE 1618 HB2 0.01 0.00 -0.05 -0.04 3.15 3.07 3i08A1 PHE 1618 HB3 -0.00 0.08 0.01 -0.04 3.06 3.11 3i08A1 PHE 1618 HD2 0.01 0.03 -0.13 -0.04 7.28 7.14 3i08A1 PHE 1618 HE2 0.00 -0.00 -0.12 -0.04 7.38 7.22 3i08A1 PHE 1618 HZ -0.01 -0.04 -0.09 -0.04 7.32 7.14 3i08A1 PRO 1619 HA -0.09 0.02 0.60 -0.51 4.44 4.47 3i08A1 PRO 1619 HB2 -0.44 0.05 -0.03 -0.04 2.28 1.82 3i08A1 PRO 1619 HB3 -0.10 -0.03 0.15 -0.04 2.02 2.00 3i08A1 PRO 1619 HG2 0.06 0.04 0.12 -0.04 2.03 2.21 3i08A1 PRO 1619 HG3 0.06 0.03 0.10 -0.04 2.03 2.18 3i08A1 PRO 1619 HD2 0.19 0.11 0.27 -0.04 3.68 4.21 3i08A1 PRO 1619 HD3 0.01 0.10 0.18 -0.04 3.65 3.91 3i08A1 TYR 1620 H -0.08 0.15 0.25 -0.55 8.29 8.06 3i08A1 TYR 1620 HA -0.19 0.20 0.96 -0.75 4.56 4.78 3i08A1 TYR 1620 HB2 -0.05 0.08 -0.00 -0.04 3.06 3.05 3i08A1 TYR 1620 HB3 -0.09 0.00 0.11 -0.04 2.98 2.97 3i08A1 TYR 1620 HD2 -0.02 -0.00 -0.13 -0.04 7.15 6.95 3i08A1 TYR 1620 HE2 0.01 -0.01 -0.14 -0.04 6.85 6.68 3i08A1 TYR 1621 H -0.55 0.27 0.12 -0.55 8.29 7.58 3i08A1 TYR 1621 HA -0.26 0.11 0.88 -0.75 4.56 4.54 3i08A1 TYR 1621 HB2 -0.20 0.04 0.08 -0.04 3.06 2.93 3i08A1 TYR 1621 HB3 -0.15 0.01 -0.02 -0.04 2.98 2.78 3i08A1 TYR 1621 HD2 -0.07 0.01 -0.04 -0.04 7.15 7.01 3i08A1 TYR 1621 HE2 -0.01 0.01 -0.06 -0.04 6.85 6.75 3i08A1 GLY 1622 H -0.12 0.15 0.04 -0.55 8.43 7.95 3i08A1 GLY 1622 HA2 -0.03 0.04 0.18 -0.51 4.01 3.70 3i08A1 GLY 1622 HA3 -0.08 0.10 0.11 -0.51 4.01 3.64