============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TRP 6 1.040 7.742 -36.487 15.468 -99.200 -91.000 TRP6 6 1.020 8.281 -34.272 14.863 -99.200 -91.000 PHE 10 1.000 9.413 -30.480 10.139 -99.200 -91.000 TRP 18 1.040 8.463 -21.267 3.322 -99.200 -91.000 TRP6 18 1.020 8.776 -21.578 1.004 -99.200 -91.000 HIS 23 0.900 3.904 -10.039 4.467 -99.200 -91.000 TYR 24 0.840 4.404 -5.398 12.769 -99.200 -91.000 TYR 27 0.840 4.475 0.103 4.194 -99.200 -91.000 TRP 33 1.040 15.217 12.507 -5.857 -99.200 -91.000 TRP6 33 1.020 15.318 13.499 -7.996 -99.200 -91.000 HIS 34 0.900 13.974 19.481 -1.634 -99.200 -91.000 PHE 37 1.000 24.700 15.435 -6.379 -99.200 -91.000 TYR 39 0.840 27.551 22.752 -5.940 -99.200 -91.000 TYR 47 0.840 26.713 20.342 17.219 -99.200 -91.000 TRP 52 1.040 14.421 8.213 12.022 -99.200 -91.000 TRP6 52 1.020 16.625 8.751 11.376 -99.200 -91.000 PHE 56 1.000 2.843 -1.197 13.680 -99.200 -91.000 TRP 61 1.040 -2.956 -12.799 -1.474 -99.200 -91.000 TRP6 61 1.020 -0.754 -13.502 -1.001 -99.200 -91.000 TRP 67 1.040 -0.007 -8.359 -3.984 -99.200 -91.000 TRP6 67 1.020 1.868 -8.061 -2.584 -99.200 -91.000 HIS 68 0.900 -6.892 -5.357 -1.801 -99.200 -91.000 TYR 71 0.840 1.583 3.478 4.105 -99.200 -91.000 PHE 75 1.000 7.504 11.524 10.206 -99.200 -91.000 TRP 79 1.040 1.854 21.533 18.446 -99.200 -91.000 TRP6 79 1.020 2.716 23.676 18.927 -99.200 -91.000 TRP 82 1.040 0.243 9.640 18.922 -99.200 -91.000 TRP6 82 1.020 0.522 9.720 21.263 -99.200 -91.000 TYR 88 0.840 -6.590 2.048 3.320 -99.200 -91.000 TRP 90 1.040 -5.953 -0.418 -2.630 -99.200 -91.000 TRP6 90 1.020 -8.023 -1.383 -3.223 -99.200 -91.000 TRP 94 1.040 4.339 -9.135 -15.399 -99.200 -91.000 TRP6 94 1.020 2.698 -10.738 -15.949 -99.200 -91.000 PHE 102 1.000 13.714 -7.183 -10.423 -99.200 -91.000 HIS 103 0.900 6.983 -10.747 -5.608 -99.200 -91.000 PHE 108 1.000 -4.858 3.733 -7.531 -99.200 -91.000 TRP 118 1.040 -8.500 22.355 11.652 -99.200 -91.000 TRP6 118 1.020 -6.537 21.285 10.896 -99.200 -91.000 TYR 120 0.840 -15.797 14.677 13.566 -99.200 -91.000 TYR 134 0.840 16.584 -10.735 -5.914 -99.200 -91.000 PHE 139 1.000 13.749 1.612 -2.874 -99.200 -91.000 TYR 143 0.840 4.303 7.744 -10.361 -99.200 -91.000 TYR 148 0.840 8.726 20.344 -19.062 -99.200 -91.000 TYR 154 0.840 10.868 9.813 -9.689 -99.200 -91.000 PHE 155 1.000 9.730 12.308 -0.718 -99.200 -91.000 TRP 157 1.040 8.404 6.091 0.545 -99.200 -91.000 TRP6 157 1.020 8.146 7.552 2.380 -99.200 -91.000 PHE 160 1.000 13.951 -6.492 6.494 -99.200 -91.000 PHE 162 1.000 10.529 -6.982 10.737 -99.200 -91.000 HIS 165 0.900 2.888 -17.652 15.178 -99.200 -91.000 HIS 166 0.900 10.499 -16.936 12.971 -99.200 -91.000 HIS 167 0.900 4.778 -24.394 15.135 -99.200 -91.000 HIS 168 0.900 7.921 -25.306 19.761 -99.200 -91.000 HIS 169 0.900 14.159 -19.935 14.178 -99.200 -91.000 HIS 170 0.900 18.241 -24.280 14.453 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mm5A10 MET 1 HA 0.03 -0.01 0.18 -0.75 4.52 3.96 1mm5A10 MET 1 HB2 0.01 0.01 0.02 -0.04 2.15 2.15 1mm5A10 MET 1 HB3 0.02 -0.06 -0.09 -0.04 2.03 1.86 1mm5A10 MET 1 HG2 0.02 0.01 0.04 -0.04 2.63 2.66 1mm5A10 MET 1 HG3 0.00 0.03 0.02 -0.04 2.56 2.58 1mm5A10 MET 1 HE3 -0.02 0.00 -0.01 -0.04 2.10 2.03 1mm5A10 ASN 2 H 0.07 0.19 0.01 -0.55 8.53 8.25 1mm5A10 ASN 2 HA 0.06 0.17 0.86 -0.75 4.76 5.09 1mm5A10 ASN 2 HB2 0.16 0.05 0.19 -0.04 2.88 3.24 1mm5A10 ASN 2 HB3 0.09 -0.10 0.08 -0.04 2.79 2.82 1mm5A10 ASN 2 HD21 0.03 0.05 -0.02 -0.04 7.03 7.06 1mm5A10 ASN 2 HD22 0.07 0.01 0.02 -0.04 7.74 7.80 1mm5A10 ALA 3 H 0.05 0.40 -0.14 -0.55 8.40 8.15 1mm5A10 ALA 3 HA 0.04 0.17 0.54 -0.75 4.34 4.33 1mm5A10 ALA 3 HB3 0.01 0.03 0.07 -0.04 1.41 1.47 1mm5A10 ASP 4 H 0.04 0.17 0.11 -0.55 8.40 8.18 1mm5A10 ASP 4 HA 0.06 0.16 0.54 -0.75 4.63 4.63 1mm5A10 ASP 4 HB2 0.03 0.06 0.05 -0.04 2.71 2.80 1mm5A10 ASP 4 HB3 0.03 0.06 0.10 -0.04 2.70 2.84 1mm5A10 GLU 5 H 0.07 0.03 -0.27 -0.55 8.60 7.88 1mm5A10 GLU 5 HA 0.04 0.12 0.40 -0.75 4.29 4.10 1mm5A10 GLU 5 HB2 0.06 -0.10 0.07 -0.04 2.09 2.08 1mm5A10 GLU 5 HB3 0.03 0.08 -0.08 -0.04 1.99 1.98 1mm5A10 GLU 5 HG2 0.01 0.02 0.05 -0.04 2.34 2.38 1mm5A10 GLU 5 HG3 0.02 -0.00 0.02 -0.04 2.34 2.34 1mm5A10 TRP 6 H 0.24 0.23 -0.55 -0.55 7.97 7.35 1mm5A10 TRP 6 HA 0.01 0.06 0.43 -0.75 4.62 4.36 1mm5A10 TRP 6 HB2 -0.02 0.35 0.22 -0.04 3.23 3.74 1mm5A10 TRP 6 HB3 -0.04 0.03 0.04 -0.04 3.23 3.23 1mm5A10 TRP 6 HD1 -0.02 0.02 0.06 -0.04 7.22 7.23 1mm5A10 TRP 6 HE1 -0.03 0.01 0.01 -0.04 10.20 10.14 1mm5A10 TRP 6 HE3 -0.05 -0.03 -0.30 -0.04 7.59 7.18 1mm5A10 TRP 6 HZ2 -0.05 0.02 -0.01 -0.04 7.44 7.36 1mm5A10 TRP 6 HZ3 -0.07 -0.01 -0.02 -0.04 7.13 6.99 1mm5A10 TRP 6 HH2 -0.03 0.02 -0.02 -0.04 7.19 7.13 1mm5A10 MET 7 H 0.25 0.29 -0.22 -0.55 8.47 8.23 1mm5A10 MET 7 HA 0.32 0.04 0.40 -0.75 4.52 4.53 1mm5A10 MET 7 HB2 0.11 0.05 0.14 -0.04 2.15 2.42 1mm5A10 MET 7 HB3 0.10 0.12 0.06 -0.04 2.03 2.27 1mm5A10 MET 7 HG2 0.12 -0.01 -0.04 -0.04 2.63 2.66 1mm5A10 MET 7 HG3 0.14 -0.01 0.06 -0.04 2.56 2.71 1mm5A10 MET 7 HE3 0.05 0.00 -0.01 -0.04 2.10 2.10 1mm5A10 THR 8 H 0.09 0.30 -0.46 -0.55 8.28 7.66 1mm5A10 THR 8 HA 0.04 0.04 0.41 -0.75 4.39 4.14 1mm5A10 THR 8 HB -0.00 0.16 0.13 -0.04 4.32 4.56 1mm5A10 THR 8 HG23 0.00 -0.01 0.01 -0.04 1.22 1.18 1mm5A10 THR 9 H -0.05 0.39 -0.16 -0.55 8.28 7.91 1mm5A10 THR 9 HA -0.09 0.07 0.52 -0.75 4.39 4.14 1mm5A10 THR 9 HB -0.44 0.11 0.12 -0.04 4.32 4.06 1mm5A10 THR 9 HG23 -0.24 -0.01 0.03 -0.04 1.22 0.96 1mm5A10 PHE 10 H 0.12 0.42 -0.18 -0.55 8.34 8.14 1mm5A10 PHE 10 HA -0.06 0.05 0.54 -0.75 4.62 4.40 1mm5A10 PHE 10 HB2 0.34 0.04 0.08 -0.04 3.15 3.57 1mm5A10 PHE 10 HB3 0.19 0.05 0.12 -0.04 3.06 3.38 1mm5A10 PHE 10 HD2 0.16 0.03 -0.07 -0.04 7.28 7.36 1mm5A10 PHE 10 HE2 0.04 0.01 -0.01 -0.04 7.38 7.38 1mm5A10 PHE 10 HZ 0.02 0.01 -0.00 -0.04 7.32 7.31 1mm5A10 ARG 11 H 0.13 0.58 -0.17 -0.55 8.46 8.44 1mm5A10 ARG 11 HA 0.02 0.03 0.44 -0.75 4.34 4.07 1mm5A10 ARG 11 HB2 0.04 0.11 0.21 -0.04 1.90 2.22 1mm5A10 ARG 11 HB3 0.02 -0.03 0.01 -0.04 1.80 1.76 1mm5A10 ARG 11 HG2 0.16 -0.05 0.07 -0.04 1.67 1.80 1mm5A10 ARG 11 HG3 0.08 -0.05 -0.10 -0.04 1.67 1.57 1mm5A10 ARG 11 HD2 0.06 -0.03 -0.02 -0.04 3.22 3.18 1mm5A10 ARG 11 HD3 0.04 -0.00 -0.00 -0.04 3.22 3.21 1mm5A10 GLU 12 H -0.03 0.39 -0.15 -0.55 8.60 8.27 1mm5A10 GLU 12 HA -0.02 0.08 0.48 -0.75 4.29 4.08 1mm5A10 GLU 12 HB2 -0.01 -0.01 0.05 -0.04 2.09 2.08 1mm5A10 GLU 12 HB3 -0.01 0.02 0.11 -0.04 1.99 2.06 1mm5A10 GLU 12 HG2 -0.04 -0.00 0.09 -0.04 2.34 2.35 1mm5A10 GLU 12 HG3 -0.06 0.08 0.13 -0.04 2.34 2.45 1mm5A10 ASN 13 H -0.12 0.29 -0.35 -0.55 8.53 7.81 1mm5A10 ASN 13 HA -0.05 0.05 0.47 -0.75 4.76 4.47 1mm5A10 ASN 13 HB2 -0.15 0.25 0.21 -0.04 2.88 3.15 1mm5A10 ASN 13 HB3 -0.32 -0.02 0.21 -0.04 2.79 2.62 1mm5A10 ASN 13 HD21 -0.24 0.00 -0.01 -0.04 7.03 6.74 1mm5A10 ASN 13 HD22 -0.67 -0.03 -0.02 -0.04 7.74 6.98 1mm5A10 ILE 14 H -0.42 0.67 -0.01 -0.55 8.25 7.95 1mm5A10 ILE 14 HA -0.21 0.01 0.40 -0.75 4.18 3.63 1mm5A10 ILE 14 HB -0.91 -0.00 0.15 -0.04 1.89 1.08 1mm5A10 ILE 14 HG12 -0.23 -0.00 -0.05 -0.04 1.49 1.16 1mm5A10 ILE 14 HG13 -0.19 -0.02 -0.03 -0.04 1.21 0.92 1mm5A10 ILE 14 HG23 -0.23 0.01 0.07 -0.04 0.93 0.74 1mm5A10 ILE 14 HD13 -0.13 -0.01 0.02 -0.04 0.88 0.71 1mm5A10 ALA 15 H -0.10 0.38 -0.34 -0.55 8.40 7.79 1mm5A10 ALA 15 HA 0.07 0.03 0.38 -0.75 4.34 4.07 1mm5A10 ALA 15 HB3 0.02 0.09 0.10 -0.04 1.41 1.58 1mm5A10 GLN 16 H 0.01 0.35 -0.44 -0.55 8.47 7.84 1mm5A10 GLN 16 HA 0.07 0.06 0.46 -0.75 4.36 4.19 1mm5A10 GLN 16 HB2 0.02 0.14 0.18 -0.04 2.15 2.45 1mm5A10 GLN 16 HB3 0.04 0.05 0.20 -0.04 2.02 2.28 1mm5A10 GLN 16 HG2 0.05 0.00 -0.14 -0.04 2.40 2.27 1mm5A10 GLN 16 HG3 0.04 -0.02 0.01 -0.04 2.39 2.38 1mm5A10 GLN 16 HE21 0.02 0.04 -0.01 -0.04 6.97 6.98 1mm5A10 GLN 16 HE22 0.02 -0.05 -0.01 -0.04 7.69 7.61 1mm5A10 THR 17 H 0.06 0.55 0.05 -0.55 8.28 8.39 1mm5A10 THR 17 HA 0.09 0.04 0.39 -0.75 4.39 4.15 1mm5A10 THR 17 HB 0.12 -0.03 0.08 -0.04 4.32 4.45 1mm5A10 THR 17 HG23 0.15 0.01 0.05 -0.04 1.22 1.38 1mm5A10 TRP 18 H 0.25 0.24 -0.65 -0.55 7.97 7.27 1mm5A10 TRP 18 HA 0.02 0.10 0.67 -0.75 4.62 4.65 1mm5A10 TRP 18 HB2 -0.01 0.17 0.09 -0.04 3.23 3.44 1mm5A10 TRP 18 HB3 0.01 0.03 -0.03 -0.04 3.23 3.19 1mm5A10 TRP 18 HD1 0.01 0.01 -0.04 -0.04 7.22 7.16 1mm5A10 TRP 18 HE1 0.01 -0.04 -0.01 -0.04 10.20 10.12 1mm5A10 TRP 18 HE3 0.01 0.04 -0.07 -0.04 7.59 7.53 1mm5A10 TRP 18 HZ2 -0.01 -0.03 -0.01 -0.04 7.44 7.34 1mm5A10 TRP 18 HZ3 0.00 -0.02 -0.03 -0.04 7.13 7.05 1mm5A10 TRP 18 HH2 -0.01 -0.03 -0.02 -0.04 7.19 7.09 1mm5A10 GLN 19 H 0.19 0.32 -0.15 -0.55 8.47 8.27 1mm5A10 GLN 19 HA 0.07 0.07 0.69 -0.75 4.36 4.44 1mm5A10 GLN 19 HB2 0.11 0.15 0.23 -0.04 2.15 2.60 1mm5A10 GLN 19 HB3 0.09 -0.11 0.22 -0.04 2.02 2.18 1mm5A10 GLN 19 HG2 0.13 -0.03 -0.00 -0.04 2.40 2.46 1mm5A10 GLN 19 HG3 0.19 0.08 0.06 -0.04 2.39 2.68 1mm5A10 GLN 19 HE21 0.08 0.01 0.01 -0.04 6.97 7.03 1mm5A10 GLN 19 HE22 0.06 -0.05 0.01 -0.04 7.69 7.66 1mm5A10 GLN 20 H 0.07 0.13 -0.69 -0.55 8.47 7.44 1mm5A10 GLN 20 HA 0.06 0.06 0.79 -0.75 4.36 4.51 1mm5A10 GLN 20 HB2 0.07 0.14 0.08 -0.04 2.15 2.40 1mm5A10 GLN 20 HB3 0.05 0.02 0.19 -0.04 2.02 2.23 1mm5A10 GLN 20 HG2 0.04 0.08 0.01 -0.04 2.40 2.49 1mm5A10 GLN 20 HG3 0.05 -0.07 -0.00 -0.04 2.39 2.32 1mm5A10 GLN 20 HE21 0.05 -0.01 -0.00 -0.04 6.97 6.96 1mm5A10 GLN 20 HE22 0.11 -0.08 0.01 -0.04 7.69 7.68 1mm5A10 PRO 21 HA -0.00 0.07 0.31 -0.51 4.44 4.30 1mm5A10 PRO 21 HB2 -0.38 -0.11 0.17 -0.04 2.28 1.92 1mm5A10 PRO 21 HB3 0.09 0.02 0.11 -0.04 2.02 2.20 1mm5A10 PRO 21 HG2 -0.02 -0.01 0.02 -0.04 2.03 1.97 1mm5A10 PRO 21 HG3 0.18 -0.00 0.09 -0.04 2.03 2.26 1mm5A10 PRO 21 HD2 0.06 0.03 0.29 -0.04 3.68 4.01 1mm5A10 PRO 21 HD3 0.14 0.37 0.21 -0.04 3.65 4.33 1mm5A10 GLU 22 H -0.41 0.04 0.13 -0.55 8.60 7.81 1mm5A10 GLU 22 HA -0.40 -0.03 0.52 -0.75 4.29 3.63 1mm5A10 GLU 22 HB2 -0.11 0.25 0.12 -0.04 2.09 2.31 1mm5A10 GLU 22 HB3 -0.16 -0.05 0.06 -0.04 1.99 1.81 1mm5A10 GLU 22 HG2 -0.28 0.02 0.06 -0.04 2.34 2.10 1mm5A10 GLU 22 HG3 -0.22 -0.08 -0.23 -0.04 2.34 1.76 1mm5A10 HIS 23 H -0.61 0.09 0.25 -0.55 8.41 7.59 1mm5A10 HIS 23 HA -0.00 0.22 0.85 -0.75 4.63 4.95 1mm5A10 HIS 23 HB2 0.03 0.04 0.12 -0.04 3.26 3.41 1mm5A10 HIS 23 HB3 -0.04 0.15 -0.10 -0.04 3.20 3.17 1mm5A10 HIS 23 HD2 -0.00 0.04 -0.34 -0.04 6.97 6.63 1mm5A10 HIS 23 HE1 -0.14 0.00 -0.08 -0.04 7.75 7.49 1mm5A10 TYR 24 H 0.31 0.44 0.21 -0.55 8.29 8.70 1mm5A10 TYR 24 HA 0.07 0.13 0.72 -0.75 4.56 4.73 1mm5A10 TYR 24 HB2 0.05 0.00 0.00 -0.04 3.06 3.08 1mm5A10 TYR 24 HB3 0.25 -0.09 0.13 -0.04 2.98 3.23 1mm5A10 TYR 24 HD2 -0.05 -0.02 -0.15 -0.04 7.15 6.90 1mm5A10 TYR 24 HE2 -0.39 -0.01 -0.06 -0.04 6.85 6.35 1mm5A10 ASP 25 H -0.09 0.59 0.49 -0.55 8.40 8.85 1mm5A10 ASP 25 HA 0.21 0.30 0.82 -0.75 4.63 5.21 1mm5A10 ASP 25 HB2 0.18 0.02 -0.03 -0.04 2.71 2.84 1mm5A10 ASP 25 HB3 0.08 -0.03 -0.13 -0.04 2.70 2.58 1mm5A10 LEU 26 H 0.20 0.45 0.31 -0.55 8.37 8.77 1mm5A10 LEU 26 HA 0.33 0.19 1.18 -0.75 4.35 5.30 1mm5A10 LEU 26 HB2 0.54 0.02 -0.02 -0.04 1.64 2.13 1mm5A10 LEU 26 HB3 0.41 -0.11 0.22 -0.04 1.64 2.11 1mm5A10 LEU 26 HG 0.28 0.17 -0.01 -0.04 1.64 2.05 1mm5A10 LEU 26 HD13 0.23 -0.01 -0.06 -0.04 0.93 1.04 1mm5A10 LEU 26 HD23 0.21 -0.02 -0.05 -0.04 0.89 0.98 1mm5A10 TYR 27 H 0.43 0.37 0.18 -0.55 8.29 8.72 1mm5A10 TYR 27 HA 0.11 0.28 0.85 -0.75 4.56 5.05 1mm5A10 TYR 27 HB2 0.04 -0.04 -0.07 -0.04 3.06 2.94 1mm5A10 TYR 27 HB3 -0.10 -0.00 -0.14 -0.04 2.98 2.69 1mm5A10 TYR 27 HD2 -0.21 -0.00 -0.27 -0.04 7.15 6.63 1mm5A10 TYR 27 HE2 -0.15 -0.00 -0.27 -0.04 6.85 6.39 1mm5A10 ILE 28 H 0.26 0.43 0.25 -0.55 8.25 8.63 1mm5A10 ILE 28 HA 0.35 0.09 0.74 -0.75 4.18 4.60 1mm5A10 ILE 28 HB 0.25 0.02 -0.11 -0.04 1.89 2.00 1mm5A10 ILE 28 HG12 0.28 -0.08 0.04 -0.04 1.49 1.70 1mm5A10 ILE 28 HG13 0.20 0.17 0.05 -0.04 1.21 1.59 1mm5A10 ILE 28 HG23 0.18 0.03 0.06 -0.04 0.93 1.16 1mm5A10 ILE 28 HD13 0.30 -0.06 0.26 -0.04 0.88 1.34 1mm5A10 PRO 29 HA -0.27 0.25 0.61 -0.51 4.44 4.52 1mm5A10 PRO 29 HB2 -0.28 -0.02 0.07 -0.04 2.28 2.01 1mm5A10 PRO 29 HB3 -0.71 0.04 0.13 -0.04 2.02 1.45 1mm5A10 PRO 29 HG2 -0.12 0.05 0.02 -0.04 2.03 1.94 1mm5A10 PRO 29 HG3 0.14 0.02 0.04 -0.04 2.03 2.19 1mm5A10 PRO 29 HD2 0.22 0.21 0.28 -0.04 3.68 4.34 1mm5A10 PRO 29 HD3 0.51 0.09 0.12 -0.04 3.65 4.33 1mm5A10 ALA 30 H -0.23 0.20 0.08 -0.55 8.40 7.91 1mm5A10 ALA 30 HA -0.05 0.09 0.44 -0.75 4.34 4.07 1mm5A10 ALA 30 HB3 0.01 0.04 -0.00 -0.04 1.41 1.42 1mm5A10 ILE 31 H -0.06 0.13 0.15 -0.55 8.25 7.92 1mm5A10 ILE 31 HA 0.03 0.19 0.88 -0.75 4.18 4.53 1mm5A10 ILE 31 HB 0.13 -0.05 0.11 -0.04 1.89 2.03 1mm5A10 ILE 31 HG12 0.10 0.03 -0.02 -0.04 1.49 1.57 1mm5A10 ILE 31 HG13 0.06 0.04 -0.15 -0.04 1.21 1.11 1mm5A10 ILE 31 HG23 0.06 0.01 -0.06 -0.04 0.93 0.90 1mm5A10 ILE 31 HD13 0.17 -0.01 -0.01 -0.04 0.88 0.99 1mm5A10 THR 32 H 0.06 0.30 0.26 -0.55 8.28 8.35 1mm5A10 THR 32 HA 0.13 0.13 0.71 -0.75 4.39 4.60 1mm5A10 THR 32 HB 0.07 0.06 -0.16 -0.04 4.32 4.25 1mm5A10 THR 32 HG23 0.04 0.00 -0.09 -0.04 1.22 1.13 1mm5A10 TRP 33 H 0.14 0.33 0.25 -0.55 7.97 8.15 1mm5A10 TRP 33 HA -0.03 0.14 0.81 -0.75 4.62 4.79 1mm5A10 TRP 33 HB2 -0.00 -0.09 0.02 -0.04 3.23 3.12 1mm5A10 TRP 33 HB3 -0.01 0.06 -0.15 -0.04 3.23 3.10 1mm5A10 TRP 33 HD1 -0.10 -0.05 0.09 -0.04 7.22 7.12 1mm5A10 TRP 33 HE1 0.08 -0.05 0.12 -0.04 10.20 10.31 1mm5A10 TRP 33 HE3 0.04 -0.21 -0.28 -0.04 7.59 7.10 1mm5A10 TRP 33 HZ2 0.01 0.01 0.02 -0.04 7.44 7.44 1mm5A10 TRP 33 HZ3 0.02 0.03 0.13 -0.04 7.13 7.27 1mm5A10 TRP 33 HH2 0.01 0.07 0.06 -0.04 7.19 7.29 1mm5A10 HIS 34 H 0.14 0.13 0.16 -0.55 8.41 8.29 1mm5A10 HIS 34 HA -0.39 0.22 0.97 -0.75 4.63 4.69 1mm5A10 HIS 34 HB2 -0.08 0.00 0.04 -0.04 3.26 3.18 1mm5A10 HIS 34 HB3 -0.08 -0.04 0.05 -0.04 3.20 3.09 1mm5A10 HIS 34 HD2 -0.08 -0.02 -0.06 -0.04 6.97 6.77 1mm5A10 HIS 34 HE1 -0.03 0.03 -0.02 -0.04 7.75 7.69 1mm5A10 ALA 35 H -0.67 0.21 0.06 -0.55 8.40 7.46 1mm5A10 ALA 35 HA -0.33 0.11 0.36 -0.75 4.34 3.72 1mm5A10 ALA 35 HB3 -0.03 0.04 -0.03 -0.04 1.41 1.35 1mm5A10 ARG 36 H 0.11 0.28 0.25 -0.55 8.46 8.55 1mm5A10 ARG 36 HA 0.81 0.01 0.29 -0.75 4.34 4.70 1mm5A10 ARG 36 HB2 0.29 -0.02 0.14 -0.04 1.90 2.26 1mm5A10 ARG 36 HB3 0.40 0.25 0.17 -0.04 1.80 2.59 1mm5A10 ARG 36 HG2 0.12 -0.15 -0.26 -0.04 1.67 1.34 1mm5A10 ARG 36 HG3 0.15 0.01 0.03 -0.04 1.67 1.82 1mm5A10 ARG 36 HD2 0.09 0.15 -0.12 -0.04 3.22 3.30 1mm5A10 ARG 36 HD3 0.06 -0.04 -0.06 -0.04 3.22 3.14 1mm5A10 PHE 37 H 0.40 0.10 0.10 -0.55 8.34 8.39 1mm5A10 PHE 37 HA 0.11 -0.01 0.42 -0.75 4.62 4.39 1mm5A10 PHE 37 HB2 0.09 -0.05 -0.22 -0.04 3.15 2.94 1mm5A10 PHE 37 HB3 0.07 0.12 0.32 -0.04 3.06 3.53 1mm5A10 PHE 37 HD2 0.00 -0.01 -0.02 -0.04 7.28 7.21 1mm5A10 PHE 37 HE2 -0.07 -0.00 -0.01 -0.04 7.38 7.25 1mm5A10 PHE 37 HZ -0.04 0.00 -0.00 -0.04 7.32 7.23 1mm5A10 ALA 38 H 0.04 0.08 0.14 -0.55 8.40 8.11 1mm5A10 ALA 38 HA 0.19 0.22 0.80 -0.75 4.34 4.79 1mm5A10 ALA 38 HB3 0.08 0.00 -0.02 -0.04 1.41 1.43 1mm5A10 TYR 39 H 0.32 0.17 0.11 -0.55 8.29 8.35 1mm5A10 TYR 39 HA 0.02 0.07 0.43 -0.75 4.56 4.33 1mm5A10 TYR 39 HB2 0.04 -0.02 0.21 -0.04 3.06 3.25 1mm5A10 TYR 39 HB3 0.03 0.01 0.13 -0.04 2.98 3.11 1mm5A10 TYR 39 HD2 0.07 0.00 0.04 -0.04 7.15 7.21 1mm5A10 TYR 39 HE2 0.07 0.01 0.01 -0.04 6.85 6.90 1mm5A10 ASP 40 H -0.07 0.35 0.42 -0.55 8.40 8.56 1mm5A10 ASP 40 HA 0.01 0.11 0.58 -0.75 4.63 4.58 1mm5A10 ASP 40 HB2 -0.07 0.15 0.15 -0.04 2.71 2.90 1mm5A10 ASP 40 HB3 -0.06 -0.10 0.03 -0.04 2.70 2.53 1mm5A10 LYS 41 H 0.00 0.20 0.12 -0.55 8.42 8.19 1mm5A10 LYS 41 HA 0.03 0.18 0.79 -0.75 4.32 4.55 1mm5A10 LYS 41 HB2 0.03 0.06 0.10 -0.04 1.87 2.02 1mm5A10 LYS 41 HB3 0.01 0.04 0.18 -0.04 1.79 1.98 1mm5A10 LYS 41 HG2 0.02 -0.01 0.18 -0.04 1.46 1.61 1mm5A10 LYS 41 HG3 0.03 -0.02 0.13 -0.04 1.46 1.56 1mm5A10 LYS 41 HD2 0.03 0.01 0.03 -0.04 1.69 1.72 1mm5A10 LYS 41 HD3 0.03 0.03 0.04 -0.04 1.68 1.73 1mm5A10 LYS 41 HE2 0.02 0.02 0.03 -0.04 2.99 3.01 1mm5A10 LYS 41 HE3 0.02 -0.01 0.06 -0.04 2.99 3.02 1mm5A10 GLU 42 H -0.02 0.18 -0.59 -0.55 8.60 7.62 1mm5A10 GLU 42 HA 0.01 0.31 0.84 -0.75 4.29 4.70 1mm5A10 GLU 42 HB2 -0.02 -0.09 0.00 -0.04 2.09 1.94 1mm5A10 GLU 42 HB3 -0.02 0.04 0.09 -0.04 1.99 2.06 1mm5A10 GLU 42 HG2 -0.01 -0.01 0.05 -0.04 2.34 2.34 1mm5A10 GLU 42 HG3 0.01 0.06 0.11 -0.04 2.34 2.49 1mm5A10 LYS 43 H 0.00 -0.01 -0.34 -0.55 8.42 7.52 1mm5A10 LYS 43 HA -0.00 0.27 0.85 -0.75 4.32 4.69 1mm5A10 LYS 43 HB2 -0.01 -0.01 0.06 -0.04 1.87 1.87 1mm5A10 LYS 43 HB3 0.00 0.04 -0.05 -0.04 1.79 1.74 1mm5A10 LYS 43 HG2 -0.05 -0.06 -0.16 -0.04 1.46 1.15 1mm5A10 LYS 43 HG3 -0.04 0.01 -0.02 -0.04 1.46 1.37 1mm5A10 LYS 43 HD2 -0.01 0.00 0.05 -0.04 1.69 1.70 1mm5A10 LYS 43 HD3 -0.02 0.10 0.04 -0.04 1.68 1.76 1mm5A10 LYS 43 HE2 -0.06 -0.02 -0.01 -0.04 2.99 2.85 1mm5A10 LYS 43 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 1mm5A10 THR 44 H 0.02 -0.07 0.00 -0.55 8.28 7.68 1mm5A10 THR 44 HA 0.03 0.24 0.78 -0.75 4.39 4.68 1mm5A10 THR 44 HB 0.03 0.04 0.04 -0.04 4.32 4.39 1mm5A10 THR 44 HG23 0.03 -0.00 -0.06 -0.04 1.22 1.14 1mm5A10 ASP 45 H 0.03 -0.01 -0.08 -0.55 8.40 7.79 1mm5A10 ASP 45 HA 0.05 0.20 0.79 -0.75 4.63 4.92 1mm5A10 ASP 45 HB2 0.03 0.11 0.24 -0.04 2.71 3.04 1mm5A10 ASP 45 HB3 0.04 -0.01 0.13 -0.04 2.70 2.82 1mm5A10 ARG 46 H 0.08 0.37 -0.09 -0.55 8.46 8.27 1mm5A10 ARG 46 HA 0.07 0.12 0.89 -0.75 4.34 4.66 1mm5A10 ARG 46 HB2 0.04 0.03 -0.14 -0.04 1.90 1.79 1mm5A10 ARG 46 HB3 0.03 0.03 -0.11 -0.04 1.80 1.70 1mm5A10 ARG 46 HG2 0.03 0.00 -0.03 -0.04 1.67 1.64 1mm5A10 ARG 46 HG3 0.02 0.00 -0.45 -0.04 1.67 1.21 1mm5A10 ARG 46 HD2 0.02 -0.03 -0.06 -0.04 3.22 3.11 1mm5A10 ARG 46 HD3 0.03 -0.02 -0.01 -0.04 3.22 3.17 1mm5A10 TYR 47 H 0.12 0.12 0.11 -0.55 8.29 8.09 1mm5A10 TYR 47 HA 0.02 0.13 0.53 -0.75 4.56 4.49 1mm5A10 TYR 47 HB2 0.02 -0.00 -0.40 -0.04 3.06 2.63 1mm5A10 TYR 47 HB3 0.02 -0.03 -0.06 -0.04 2.98 2.86 1mm5A10 TYR 47 HD2 0.02 0.03 -0.04 -0.04 7.15 7.12 1mm5A10 TYR 47 HE2 0.01 -0.01 0.01 -0.04 6.85 6.82 1mm5A10 ASN 48 H 0.16 0.01 0.14 -0.55 8.53 8.30 1mm5A10 ASN 48 HA 0.13 0.14 0.60 -0.75 4.76 4.88 1mm5A10 ASN 48 HB2 0.08 -0.03 0.07 -0.04 2.88 2.97 1mm5A10 ASN 48 HB3 0.08 0.07 -0.00 -0.04 2.79 2.90 1mm5A10 ASN 48 HD21 0.08 0.03 0.04 -0.04 7.03 7.14 1mm5A10 ASN 48 HD22 0.07 0.00 -0.00 -0.04 7.74 7.76 1mm5A10 GLU 49 H 0.09 0.15 0.15 -0.55 8.60 8.45 1mm5A10 GLU 49 HA 0.11 0.15 0.93 -0.75 4.29 4.73 1mm5A10 GLU 49 HB2 0.11 -0.04 0.11 -0.04 2.09 2.23 1mm5A10 GLU 49 HB3 0.18 0.10 0.00 -0.04 1.99 2.23 1mm5A10 GLU 49 HG2 0.07 0.00 -0.03 -0.04 2.34 2.35 1mm5A10 GLU 49 HG3 0.08 0.06 -0.16 -0.04 2.34 2.28 1mm5A10 ARG 50 H 0.11 0.12 0.11 -0.55 8.46 8.25 1mm5A10 ARG 50 HA 0.08 0.05 0.43 -0.75 4.34 4.14 1mm5A10 ARG 50 HB2 0.03 -0.04 0.12 -0.04 1.90 1.97 1mm5A10 ARG 50 HB3 -0.01 0.12 -0.07 -0.04 1.80 1.80 1mm5A10 ARG 50 HG2 0.04 0.03 0.07 -0.04 1.67 1.77 1mm5A10 ARG 50 HG3 0.03 -0.05 0.01 -0.04 1.67 1.62 1mm5A10 ARG 50 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.15 1mm5A10 ARG 50 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.16 1mm5A10 PRO 51 HA 0.13 0.03 0.43 -0.51 4.44 4.52 1mm5A10 PRO 51 HB2 0.21 -0.00 0.03 -0.04 2.28 2.48 1mm5A10 PRO 51 HB3 0.15 0.08 0.09 -0.04 2.02 2.30 1mm5A10 PRO 51 HG2 0.12 0.00 0.09 -0.04 2.03 2.20 1mm5A10 PRO 51 HG3 0.11 0.01 0.13 -0.04 2.03 2.24 1mm5A10 PRO 51 HD2 0.08 0.08 0.19 -0.04 3.68 3.98 1mm5A10 PRO 51 HD3 0.08 0.12 0.24 -0.04 3.65 4.05 1mm5A10 TRP 52 H 0.19 0.12 0.26 -0.55 7.97 7.99 1mm5A10 TRP 52 HA -0.10 0.17 0.90 -0.75 4.62 4.84 1mm5A10 TRP 52 HB2 -0.03 0.03 0.11 -0.04 3.23 3.29 1mm5A10 TRP 52 HB3 -0.08 -0.03 0.03 -0.04 3.23 3.12 1mm5A10 TRP 52 HD1 -0.05 0.07 0.03 -0.04 7.22 7.23 1mm5A10 TRP 52 HE1 0.02 0.03 0.04 -0.04 10.20 10.25 1mm5A10 TRP 52 HE3 0.01 0.08 -0.04 -0.04 7.59 7.59 1mm5A10 TRP 52 HZ2 0.02 0.01 0.01 -0.04 7.44 7.44 1mm5A10 TRP 52 HZ3 0.01 -0.04 -0.01 -0.04 7.13 7.05 1mm5A10 TRP 52 HH2 0.01 -0.02 0.00 -0.04 7.19 7.14 1mm5A10 GLY 53 H -0.26 0.26 0.25 -0.55 8.43 8.13 1mm5A10 GLY 53 HA2 -0.24 0.12 0.73 -0.51 4.01 4.11 1mm5A10 GLY 53 HA3 -1.53 0.01 0.37 -0.51 4.01 2.35 1mm5A10 GLY 54 H 0.10 0.51 0.37 -0.55 8.43 8.86 1mm5A10 GLY 54 HA2 0.29 0.05 0.45 -0.51 4.01 4.29 1mm5A10 GLY 54 HA3 0.23 0.13 0.65 -0.51 4.01 4.51 1mm5A10 GLY 55 H 0.25 0.61 0.38 -0.55 8.43 9.13 1mm5A10 GLY 55 HA2 0.10 0.04 0.62 -0.51 4.01 4.26 1mm5A10 GLY 55 HA3 0.02 0.24 0.63 -0.51 4.01 4.39 1mm5A10 PHE 56 H -0.48 0.39 0.38 -0.55 8.34 8.07 1mm5A10 PHE 56 HA 0.18 0.05 0.93 -0.75 4.62 5.02 1mm5A10 PHE 56 HB2 -0.52 0.12 0.29 -0.04 3.15 3.00 1mm5A10 PHE 56 HB3 0.08 0.00 0.03 -0.04 3.06 3.13 1mm5A10 PHE 56 HD2 -0.13 0.01 -0.16 -0.04 7.28 6.97 1mm5A10 PHE 56 HE2 0.04 -0.01 -0.02 -0.04 7.38 7.35 1mm5A10 PHE 56 HZ 0.05 -0.01 -0.01 -0.04 7.32 7.31 1mm5A10 GLY 57 H 0.11 0.69 0.45 -0.55 8.43 9.14 1mm5A10 GLY 57 HA2 -0.03 -0.01 0.53 -0.51 4.01 4.00 1mm5A10 GLY 57 HA3 0.00 0.26 0.68 -0.51 4.01 4.44 1mm5A10 LEU 58 H -0.07 0.29 0.36 -0.55 8.37 8.40 1mm5A10 LEU 58 HA -0.17 0.25 1.08 -0.75 4.35 4.75 1mm5A10 LEU 58 HB2 -0.10 -0.06 0.00 -0.04 1.64 1.44 1mm5A10 LEU 58 HB3 -0.15 -0.00 0.01 -0.04 1.64 1.45 1mm5A10 LEU 58 HG -0.19 0.33 0.25 -0.04 1.64 1.99 1mm5A10 LEU 58 HD13 -0.08 -0.01 -0.05 -0.04 0.93 0.75 1mm5A10 LEU 58 HD23 -0.30 -0.04 0.16 -0.04 0.89 0.67 1mm5A10 SER 59 H -0.41 0.20 0.28 -0.55 8.46 7.98 1mm5A10 SER 59 HA -0.25 0.13 1.07 -0.75 4.49 4.69 1mm5A10 SER 59 HB2 -0.20 -0.01 -0.13 -0.04 3.95 3.57 1mm5A10 SER 59 HB3 -0.63 -0.01 -0.05 -0.04 3.93 3.21 1mm5A10 ARG 60 H -0.49 0.67 0.33 -0.55 8.46 8.42 1mm5A10 ARG 60 HA -0.85 0.08 0.92 -0.75 4.34 3.73 1mm5A10 ARG 60 HB2 -0.24 -0.06 -0.10 -0.04 1.90 1.46 1mm5A10 ARG 60 HB3 -0.23 0.01 0.04 -0.04 1.80 1.58 1mm5A10 ARG 60 HG2 -0.34 0.05 0.15 -0.04 1.67 1.49 1mm5A10 ARG 60 HG3 -0.37 0.01 0.12 -0.04 1.67 1.39 1mm5A10 ARG 60 HD2 -0.05 -0.02 -0.02 -0.04 3.22 3.09 1mm5A10 ARG 60 HD3 -0.05 0.01 0.02 -0.04 3.22 3.16 1mm5A10 TRP 61 H -1.05 0.13 0.22 -0.55 7.97 6.72 1mm5A10 TRP 61 HA -0.65 0.24 1.09 -0.75 4.62 4.55 1mm5A10 TRP 61 HB2 -0.01 0.05 0.17 -0.04 3.23 3.40 1mm5A10 TRP 61 HB3 -0.66 -0.00 0.08 -0.04 3.23 2.61 1mm5A10 TRP 61 HD1 -0.12 -0.06 -0.21 -0.04 7.22 6.80 1mm5A10 TRP 61 HE1 -0.05 0.01 0.01 -0.04 10.20 10.13 1mm5A10 TRP 61 HE3 0.32 0.01 -0.05 -0.04 7.59 7.82 1mm5A10 TRP 61 HZ2 -0.02 0.05 0.02 -0.04 7.44 7.45 1mm5A10 TRP 61 HZ3 0.25 0.03 -0.05 -0.04 7.13 7.31 1mm5A10 TRP 61 HH2 0.02 0.07 -0.03 -0.04 7.19 7.21 1mm5A10 ASP 62 H 0.12 0.60 0.39 -0.55 8.40 8.96 1mm5A10 ASP 62 HA 0.12 0.24 1.02 -0.75 4.63 5.25 1mm5A10 ASP 62 HB2 0.03 0.08 -0.01 -0.04 2.71 2.77 1mm5A10 ASP 62 HB3 0.08 -0.16 0.08 -0.04 2.70 2.66 1mm5A10 GLU 63 H 0.08 0.22 0.18 -0.55 8.60 8.54 1mm5A10 GLU 63 HA -0.03 0.13 0.39 -0.75 4.29 4.03 1mm5A10 GLU 63 HB2 0.04 -0.04 0.13 -0.04 2.09 2.18 1mm5A10 GLU 63 HB3 0.01 0.06 0.06 -0.04 1.99 2.08 1mm5A10 GLU 63 HG2 0.02 0.03 0.07 -0.04 2.34 2.42 1mm5A10 GLU 63 HG3 0.05 -0.00 0.11 -0.04 2.34 2.46 1mm5A10 LYS 64 H 0.05 -0.02 -0.35 -0.55 8.42 7.55 1mm5A10 LYS 64 HA 0.03 0.12 0.43 -0.75 4.32 4.15 1mm5A10 LYS 64 HB2 0.06 -0.06 0.06 -0.04 1.87 1.88 1mm5A10 LYS 64 HB3 0.07 0.01 -0.11 -0.04 1.79 1.71 1mm5A10 LYS 64 HG2 0.05 0.05 0.06 -0.04 1.46 1.58 1mm5A10 LYS 64 HG3 0.04 0.00 0.06 -0.04 1.46 1.52 1mm5A10 LYS 64 HD2 0.05 0.00 0.00 -0.04 1.69 1.70 1mm5A10 LYS 64 HD3 0.07 -0.04 -0.01 -0.04 1.68 1.66 1mm5A10 LYS 64 HE2 0.09 -0.02 -0.05 -0.04 2.99 2.97 1mm5A10 LYS 64 HE3 0.06 0.04 -0.05 -0.04 2.99 3.01 1mm5A10 GLY 65 H 0.06 0.35 -0.36 -0.55 8.43 7.93 1mm5A10 GLY 65 HA2 0.06 0.06 0.33 -0.51 4.01 3.95 1mm5A10 GLY 65 HA3 0.06 0.20 0.95 -0.51 4.01 4.71 1mm5A10 ASN 66 H 0.11 0.10 0.32 -0.55 8.53 8.51 1mm5A10 ASN 66 HA 0.13 0.28 1.01 -0.75 4.76 5.42 1mm5A10 ASN 66 HB2 0.07 -0.14 0.05 -0.04 2.88 2.82 1mm5A10 ASN 66 HB3 -0.01 0.04 -0.02 -0.04 2.79 2.76 1mm5A10 ASN 66 HD21 0.18 -0.01 -0.06 -0.04 7.03 7.10 1mm5A10 ASN 66 HD22 0.21 0.03 -0.06 -0.04 7.74 7.88 1mm5A10 TRP 67 H 0.12 0.32 0.21 -0.55 7.97 8.08 1mm5A10 TRP 67 HA -0.23 0.15 1.01 -0.75 4.62 4.79 1mm5A10 TRP 67 HB2 -0.01 0.11 0.03 -0.04 3.23 3.32 1mm5A10 TRP 67 HB3 -0.03 -0.03 0.01 -0.04 3.23 3.14 1mm5A10 TRP 67 HD1 0.09 0.10 -0.21 -0.04 7.22 7.16 1mm5A10 TRP 67 HE1 0.43 -0.00 -0.06 -0.04 10.20 10.53 1mm5A10 TRP 67 HE3 0.05 -0.00 -0.20 -0.04 7.59 7.40 1mm5A10 TRP 67 HZ2 0.48 0.02 -0.10 -0.04 7.44 7.80 1mm5A10 TRP 67 HZ3 0.10 -0.01 -0.18 -0.04 7.13 7.00 1mm5A10 TRP 67 HH2 0.18 0.02 -0.13 -0.04 7.19 7.22 1mm5A10 HIS 68 H -0.93 0.71 0.36 -0.55 8.41 8.00 1mm5A10 HIS 68 HA -0.46 0.46 1.12 -0.75 4.63 5.00 1mm5A10 HIS 68 HB2 -1.41 0.02 -0.01 -0.04 3.26 1.82 1mm5A10 HIS 68 HB3 -2.74 -0.03 -0.04 -0.04 3.20 0.35 1mm5A10 HIS 68 HD2 -0.31 -0.03 -0.05 -0.04 6.97 6.54 1mm5A10 HIS 68 HE1 -0.22 -0.07 -0.15 -0.04 7.75 7.27 1mm5A10 GLY 69 H 0.11 0.34 0.26 -0.55 8.43 8.59 1mm5A10 GLY 69 HA2 -0.02 0.10 0.80 -0.51 4.01 4.38 1mm5A10 GLY 69 HA3 -0.04 0.04 0.51 -0.51 4.01 4.01 1mm5A10 LEU 70 H -0.06 0.72 0.45 -0.55 8.37 8.92 1mm5A10 LEU 70 HA -0.36 0.45 0.95 -0.75 4.35 4.63 1mm5A10 LEU 70 HB2 -0.59 -0.06 0.02 -0.04 1.64 0.97 1mm5A10 LEU 70 HB3 -0.56 0.04 -0.15 -0.04 1.64 0.93 1mm5A10 LEU 70 HG -0.15 -0.13 0.05 -0.04 1.64 1.37 1mm5A10 LEU 70 HD13 -0.14 0.00 -0.05 -0.04 0.93 0.70 1mm5A10 LEU 70 HD23 -0.03 0.04 -0.02 -0.04 0.89 0.84 1mm5A10 TYR 71 H -0.61 0.21 0.19 -0.55 8.29 7.52 1mm5A10 TYR 71 HA -0.28 0.14 0.66 -0.75 4.56 4.32 1mm5A10 TYR 71 HB2 -0.61 0.02 -0.25 -0.04 3.06 2.18 1mm5A10 TYR 71 HB3 -0.88 0.07 -0.34 -0.04 2.98 1.78 1mm5A10 TYR 71 HD2 -0.45 0.03 -0.26 -0.04 7.15 6.43 1mm5A10 TYR 71 HE2 -0.30 -0.01 -0.27 -0.04 6.85 6.23 1mm5A10 ALA 72 H -0.26 0.51 0.32 -0.55 8.40 8.42 1mm5A10 ALA 72 HA -0.27 0.27 0.71 -0.75 4.34 4.29 1mm5A10 ALA 72 HB3 -0.25 -0.02 0.08 -0.04 1.41 1.18 1mm5A10 MET 73 H -0.12 0.70 0.39 -0.55 8.47 8.89 1mm5A10 MET 73 HA 0.05 0.17 0.82 -0.75 4.52 4.81 1mm5A10 MET 73 HB2 0.05 0.07 0.09 -0.04 2.15 2.31 1mm5A10 MET 73 HB3 0.22 0.01 -0.15 -0.04 2.03 2.07 1mm5A10 MET 73 HG2 0.18 -0.01 -0.25 -0.04 2.63 2.51 1mm5A10 MET 73 HG3 0.24 0.00 -0.24 -0.04 2.56 2.52 1mm5A10 MET 73 HE3 0.13 -0.00 -0.14 -0.04 2.10 2.05 1mm5A10 ALA 74 H 0.13 0.58 0.26 -0.55 8.40 8.82 1mm5A10 ALA 74 HA 0.22 0.39 0.74 -0.75 4.34 4.93 1mm5A10 ALA 74 HB3 0.13 -0.02 -0.07 -0.04 1.41 1.41 1mm5A10 PHE 75 H 0.35 0.18 0.22 -0.55 8.34 8.54 1mm5A10 PHE 75 HA 0.15 0.21 1.03 -0.75 4.62 5.25 1mm5A10 PHE 75 HB2 0.09 0.08 0.07 -0.04 3.15 3.35 1mm5A10 PHE 75 HB3 0.10 -0.02 -0.09 -0.04 3.06 3.01 1mm5A10 PHE 75 HD2 0.09 -0.03 -0.35 -0.04 7.28 6.95 1mm5A10 PHE 75 HE2 0.08 0.03 -0.19 -0.04 7.38 7.26 1mm5A10 PHE 75 HZ 0.03 0.02 -0.10 -0.04 7.32 7.23 1mm5A10 LYS 76 H 0.04 0.37 0.18 -0.55 8.42 8.45 1mm5A10 LYS 76 HA 0.20 0.09 0.84 -0.75 4.32 4.70 1mm5A10 LYS 76 HB2 0.11 0.07 0.15 -0.04 1.87 2.16 1mm5A10 LYS 76 HB3 0.16 0.02 0.01 -0.04 1.79 1.93 1mm5A10 LYS 76 HG2 0.29 -0.08 -0.28 -0.04 1.46 1.35 1mm5A10 LYS 76 HG3 0.14 0.08 -0.05 -0.04 1.46 1.59 1mm5A10 LYS 76 HD2 0.29 -0.03 -0.05 -0.04 1.69 1.86 1mm5A10 LYS 76 HD3 0.22 0.01 -0.05 -0.04 1.68 1.81 1mm5A10 LYS 76 HE2 0.09 0.03 -0.01 -0.04 2.99 3.05 1mm5A10 LYS 76 HE3 0.12 0.01 -0.02 -0.04 2.99 3.06 1mm5A10 ASP 77 H 0.17 0.10 0.10 -0.55 8.40 8.22 1mm5A10 ASP 77 HA 0.14 0.30 0.91 -0.75 4.63 5.23 1mm5A10 ASP 77 HB2 0.17 -0.05 0.07 -0.04 2.71 2.85 1mm5A10 ASP 77 HB3 0.13 -0.06 0.19 -0.04 2.70 2.92 1mm5A10 SER 78 H 0.14 0.19 0.16 -0.55 8.46 8.42 1mm5A10 SER 78 HA 0.12 0.14 0.41 -0.75 4.49 4.40 1mm5A10 SER 78 HB2 0.18 -0.03 0.12 -0.04 3.95 4.18 1mm5A10 SER 78 HB3 0.16 0.06 0.04 -0.04 3.93 4.15 1mm5A10 TRP 79 H 0.35 -0.01 -0.29 -0.55 7.97 7.48 1mm5A10 TRP 79 HA -0.02 0.09 0.33 -0.75 4.62 4.27 1mm5A10 TRP 79 HB2 -0.01 -0.08 0.05 -0.04 3.23 3.15 1mm5A10 TRP 79 HB3 -0.04 0.05 -0.15 -0.04 3.23 3.06 1mm5A10 TRP 79 HD1 -0.09 0.05 -0.05 -0.04 7.22 7.09 1mm5A10 TRP 79 HE1 -0.10 0.02 -0.01 -0.04 10.20 10.06 1mm5A10 TRP 79 HE3 -0.02 -0.07 -0.10 -0.04 7.59 7.36 1mm5A10 TRP 79 HZ2 -0.07 0.00 -0.00 -0.04 7.44 7.33 1mm5A10 TRP 79 HZ3 -0.02 -0.01 -0.03 -0.04 7.13 7.03 1mm5A10 TRP 79 HH2 -0.04 -0.01 -0.01 -0.04 7.19 7.10 1mm5A10 ASN 80 H 0.16 0.26 -0.66 -0.55 8.53 7.74 1mm5A10 ASN 80 HA 0.07 0.01 0.27 -0.75 4.76 4.35 1mm5A10 ASN 80 HB2 -0.10 0.19 -0.32 -0.04 2.88 2.60 1mm5A10 ASN 80 HB3 -0.06 -0.05 0.28 -0.04 2.79 2.91 1mm5A10 ASN 80 HD21 -0.02 -0.01 0.03 -0.04 7.03 6.99 1mm5A10 ASN 80 HD22 0.01 -0.03 0.01 -0.04 7.74 7.68 1mm5A10 LYS 81 H 0.08 -0.01 -0.09 -0.55 8.42 7.84 1mm5A10 LYS 81 HA -0.40 0.07 0.55 -0.75 4.32 3.78 1mm5A10 LYS 81 HB2 0.07 -0.12 -0.19 -0.04 1.87 1.58 1mm5A10 LYS 81 HB3 -0.17 0.06 -0.03 -0.04 1.79 1.61 1mm5A10 LYS 81 HG2 -0.33 0.03 0.22 -0.04 1.46 1.34 1mm5A10 LYS 81 HG3 -0.17 0.14 -0.27 -0.04 1.46 1.13 1mm5A10 LYS 81 HD2 -0.02 -0.02 -0.02 -0.04 1.69 1.58 1mm5A10 LYS 81 HD3 -0.21 -0.01 0.01 -0.04 1.68 1.42 1mm5A10 LYS 81 HE2 -0.14 -0.04 0.02 -0.04 2.99 2.78 1mm5A10 LYS 81 HE3 -0.21 0.03 0.04 -0.04 2.99 2.81 1mm5A10 TRP 82 H -0.21 0.12 0.06 -0.55 7.97 7.40 1mm5A10 TRP 82 HA 0.10 0.18 0.31 -0.75 4.62 4.46 1mm5A10 TRP 82 HB2 0.07 -0.03 -0.09 -0.04 3.23 3.14 1mm5A10 TRP 82 HB3 0.06 -0.01 0.02 -0.04 3.23 3.26 1mm5A10 TRP 82 HD1 0.04 0.01 -0.13 -0.04 7.22 7.10 1mm5A10 TRP 82 HE1 0.03 0.00 0.01 -0.04 10.20 10.20 1mm5A10 TRP 82 HE3 0.04 -0.02 0.01 -0.04 7.59 7.57 1mm5A10 TRP 82 HZ2 0.02 0.00 0.01 -0.04 7.44 7.43 1mm5A10 TRP 82 HZ3 0.02 0.02 -0.00 -0.04 7.13 7.12 1mm5A10 TRP 82 HH2 0.02 0.01 0.01 -0.04 7.19 7.18 1mm5A10 GLU 83 H 0.29 0.30 0.37 -0.55 8.60 9.01 1mm5A10 GLU 83 HA 0.13 0.24 0.94 -0.75 4.29 4.84 1mm5A10 GLU 83 HB2 0.14 0.08 0.20 -0.04 2.09 2.47 1mm5A10 GLU 83 HB3 0.13 -0.08 0.24 -0.04 1.99 2.25 1mm5A10 GLU 83 HG2 0.06 -0.04 -0.03 -0.04 2.34 2.28 1mm5A10 GLU 83 HG3 0.07 0.10 0.05 -0.04 2.34 2.52 1mm5A10 PRO 84 HA 0.10 0.22 0.46 -0.51 4.44 4.71 1mm5A10 PRO 84 HB2 0.05 -0.01 -0.06 -0.04 2.28 2.21 1mm5A10 PRO 84 HB3 0.13 0.01 -0.01 -0.04 2.02 2.11 1mm5A10 PRO 84 HG2 0.11 -0.05 0.12 -0.04 2.03 2.18 1mm5A10 PRO 84 HG3 0.25 0.05 0.06 -0.04 2.03 2.34 1mm5A10 PRO 84 HD2 0.14 0.06 0.33 -0.04 3.68 4.17 1mm5A10 PRO 84 HD3 0.40 0.35 0.07 -0.04 3.65 4.44 1mm5A10 ILE 85 H -0.04 0.20 0.25 -0.55 8.25 8.12 1mm5A10 ILE 85 HA -0.08 0.17 0.83 -0.75 4.18 4.35 1mm5A10 ILE 85 HB -0.13 0.01 -0.06 -0.04 1.89 1.67 1mm5A10 ILE 85 HG12 -0.05 0.03 -0.05 -0.04 1.49 1.38 1mm5A10 ILE 85 HG13 -0.05 0.04 0.35 -0.04 1.21 1.51 1mm5A10 ILE 85 HG23 -0.03 0.02 -0.13 -0.04 0.93 0.75 1mm5A10 ILE 85 HD13 -0.15 -0.02 -0.07 -0.04 0.88 0.61 1mm5A10 ALA 86 H -0.16 0.38 0.23 -0.55 8.40 8.30 1mm5A10 ALA 86 HA -0.49 0.36 0.80 -0.75 4.34 4.25 1mm5A10 ALA 86 HB3 -0.25 -0.02 0.04 -0.04 1.41 1.14 1mm5A10 GLY 87 H -1.39 0.58 0.31 -0.55 8.43 7.38 1mm5A10 GLY 87 HA2 -0.32 0.08 0.79 -0.51 4.01 4.05 1mm5A10 GLY 87 HA3 -0.95 0.07 0.18 -0.51 4.01 2.80 1mm5A10 TYR 88 H 0.12 0.27 -0.18 -0.55 8.29 7.95 1mm5A10 TYR 88 HA 0.17 0.42 1.09 -0.75 4.56 5.48 1mm5A10 TYR 88 HB2 0.02 0.32 0.36 -0.04 3.06 3.72 1mm5A10 TYR 88 HB3 0.32 -0.04 0.09 -0.04 2.98 3.31 1mm5A10 TYR 88 HD2 0.16 0.06 0.05 -0.04 7.15 7.38 1mm5A10 TYR 88 HE2 0.01 -0.02 -0.07 -0.04 6.85 6.73 1mm5A10 GLY 89 H 0.32 0.31 0.07 -0.55 8.43 8.59 1mm5A10 GLY 89 HA2 0.31 0.17 0.80 -0.51 4.01 4.79 1mm5A10 GLY 89 HA3 0.26 -0.01 0.20 -0.51 4.01 3.96 1mm5A10 TRP 90 H 0.35 0.70 0.37 -0.55 7.97 8.84 1mm5A10 TRP 90 HA 0.10 0.37 1.20 -0.75 4.62 5.53 1mm5A10 TRP 90 HB2 -0.27 0.04 0.27 -0.04 3.23 3.23 1mm5A10 TRP 90 HB3 -0.13 -0.04 0.07 -0.04 3.23 3.09 1mm5A10 TRP 90 HD1 0.20 -0.14 -0.74 -0.04 7.22 6.50 1mm5A10 TRP 90 HE1 0.22 0.03 -0.07 -0.04 10.20 10.34 1mm5A10 TRP 90 HE3 0.10 -0.00 -0.03 -0.04 7.59 7.62 1mm5A10 TRP 90 HZ2 -0.23 0.00 -0.05 -0.04 7.44 7.12 1mm5A10 TRP 90 HZ3 0.04 -0.02 -0.04 -0.04 7.13 7.08 1mm5A10 TRP 90 HH2 -0.19 -0.01 -0.04 -0.04 7.19 6.91 1mm5A10 GLU 91 H 0.15 0.73 0.34 -0.55 8.60 9.27 1mm5A10 GLU 91 HA 0.01 0.17 0.76 -0.75 4.29 4.47 1mm5A10 GLU 91 HB2 0.08 -0.12 -0.40 -0.04 2.09 1.60 1mm5A10 GLU 91 HB3 0.09 0.02 -0.40 -0.04 1.99 1.66 1mm5A10 GLU 91 HG2 0.21 0.08 -0.15 -0.04 2.34 2.44 1mm5A10 GLU 91 HG3 0.09 0.03 -0.34 -0.04 2.34 2.07 1mm5A10 SER 92 H 0.04 0.42 0.27 -0.55 8.46 8.65 1mm5A10 SER 92 HA 0.07 0.12 0.91 -0.75 4.49 4.84 1mm5A10 SER 92 HB2 0.03 -0.00 0.20 -0.04 3.95 4.14 1mm5A10 SER 92 HB3 0.01 -0.02 0.09 -0.04 3.93 3.96 1mm5A10 THR 93 H -0.02 0.19 0.18 -0.55 8.28 8.08 1mm5A10 THR 93 HA -0.21 0.27 0.94 -0.75 4.39 4.64 1mm5A10 THR 93 HB -0.50 0.03 -0.02 -0.04 4.32 3.79 1mm5A10 THR 93 HG23 -1.41 0.00 -0.14 -0.04 1.22 -0.37 1mm5A10 TRP 94 H -0.05 0.63 0.38 -0.55 7.97 8.38 1mm5A10 TRP 94 HA -0.13 0.09 0.79 -0.75 4.62 4.62 1mm5A10 TRP 94 HB2 -0.08 0.01 -0.25 -0.04 3.23 2.88 1mm5A10 TRP 94 HB3 -0.08 -0.03 -0.03 -0.04 3.23 3.05 1mm5A10 TRP 94 HD1 -0.06 -0.06 -0.17 -0.04 7.22 6.89 1mm5A10 TRP 94 HE1 -0.05 -0.07 -0.10 -0.04 10.20 9.94 1mm5A10 TRP 94 HE3 -0.07 0.16 0.21 -0.04 7.59 7.84 1mm5A10 TRP 94 HZ2 -0.03 -0.06 -0.01 -0.04 7.44 7.30 1mm5A10 TRP 94 HZ3 -0.04 -0.00 0.07 -0.04 7.13 7.11 1mm5A10 TRP 94 HH2 -0.03 -0.03 0.03 -0.04 7.19 7.11 1mm5A10 ARG 95 H -0.96 0.16 0.15 -0.55 8.46 7.26 1mm5A10 ARG 95 HA -0.31 0.26 1.00 -0.75 4.34 4.54 1mm5A10 ARG 95 HB2 -0.26 0.11 0.06 -0.04 1.90 1.77 1mm5A10 ARG 95 HB3 -0.34 -0.07 0.01 -0.04 1.80 1.36 1mm5A10 ARG 95 HG2 -0.73 -0.11 0.22 -0.04 1.67 1.01 1mm5A10 ARG 95 HG3 -0.41 0.16 0.07 -0.04 1.67 1.44 1mm5A10 ARG 95 HD2 -0.22 0.01 0.01 -0.04 3.22 2.98 1mm5A10 ARG 95 HD3 -0.27 -0.04 0.04 -0.04 3.22 2.90 1mm5A10 PRO 96 HA -0.24 0.01 0.30 -0.51 4.44 4.01 1mm5A10 PRO 96 HB2 -0.11 -0.06 -0.01 -0.04 2.28 2.06 1mm5A10 PRO 96 HB3 -0.14 -0.08 0.16 -0.04 2.02 1.92 1mm5A10 PRO 96 HG2 -0.11 -0.06 0.02 -0.04 2.03 1.84 1mm5A10 PRO 96 HG3 -0.17 0.02 0.04 -0.04 2.03 1.87 1mm5A10 PRO 96 HD2 -0.08 0.15 0.06 -0.04 3.68 3.77 1mm5A10 PRO 96 HD3 -0.12 0.27 0.27 -0.04 3.65 4.03 1mm5A10 LEU 97 H -0.10 -0.05 0.18 -0.55 8.37 7.85 1mm5A10 LEU 97 HA -0.12 0.29 0.85 -0.75 4.35 4.61 1mm5A10 LEU 97 HB2 -0.04 -0.11 0.19 -0.04 1.64 1.64 1mm5A10 LEU 97 HB3 -0.04 0.02 0.00 -0.04 1.64 1.58 1mm5A10 LEU 97 HG -0.06 0.06 -0.06 -0.04 1.64 1.54 1mm5A10 LEU 97 HD13 0.01 -0.01 0.02 -0.04 0.93 0.91 1mm5A10 LEU 97 HD23 -0.04 0.02 0.03 -0.04 0.89 0.86 1mm5A10 ALA 98 H -0.05 -0.04 0.17 -0.55 8.40 7.93 1mm5A10 ALA 98 HA -0.02 0.14 0.54 -0.75 4.34 4.24 1mm5A10 ALA 98 HB3 -0.02 -0.01 0.10 -0.04 1.41 1.44 1mm5A10 ASP 99 H -0.05 -0.09 -0.06 -0.55 8.40 7.66 1mm5A10 ASP 99 HA 0.05 0.11 0.60 -0.75 4.63 4.64 1mm5A10 ASP 99 HB2 -0.01 0.04 0.04 -0.04 2.71 2.74 1mm5A10 ASP 99 HB3 0.19 -0.15 0.08 -0.04 2.70 2.78 1mm5A10 GLU 100 H 0.07 -0.11 0.16 -0.55 8.60 8.18 1mm5A10 GLU 100 HA -0.02 0.33 0.80 -0.75 4.29 4.64 1mm5A10 GLU 100 HB2 0.00 -0.09 0.06 -0.04 2.09 2.02 1mm5A10 GLU 100 HB3 -0.01 0.03 -0.07 -0.04 1.99 1.89 1mm5A10 GLU 100 HG2 -0.03 0.24 -0.24 -0.04 2.34 2.27 1mm5A10 GLU 100 HG3 -0.01 -0.02 -0.11 -0.04 2.34 2.16 1mm5A10 ASN 101 H -0.01 -0.00 0.19 -0.55 8.53 8.16 1mm5A10 ASN 101 HA -0.15 0.18 0.47 -0.75 4.76 4.51 1mm5A10 ASN 101 HB2 -0.38 -0.04 0.19 -0.04 2.88 2.61 1mm5A10 ASN 101 HB3 -0.80 -0.17 0.11 -0.04 2.79 1.89 1mm5A10 ASN 101 HD21 -0.55 -0.08 0.12 -0.04 7.03 6.48 1mm5A10 ASN 101 HD22 -0.21 0.07 0.05 -0.04 7.74 7.61 1mm5A10 PHE 102 H 0.24 -0.14 -0.16 -0.55 8.34 7.73 1mm5A10 PHE 102 HA 0.22 0.17 0.53 -0.75 4.62 4.79 1mm5A10 PHE 102 HB2 0.18 -0.13 0.12 -0.04 3.15 3.28 1mm5A10 PHE 102 HB3 0.06 -0.00 0.09 -0.04 3.06 3.17 1mm5A10 PHE 102 HD2 0.05 0.00 -0.24 -0.04 7.28 7.05 1mm5A10 PHE 102 HE2 -0.02 -0.00 -0.04 -0.04 7.38 7.28 1mm5A10 PHE 102 HZ -0.02 -0.02 -0.04 -0.04 7.32 7.20 1mm5A10 HIS 103 H 0.11 0.31 0.36 -0.55 8.41 8.64 1mm5A10 HIS 103 HA 0.00 0.18 0.77 -0.75 4.63 4.83 1mm5A10 HIS 103 HB2 -0.08 -0.05 0.12 -0.04 3.26 3.22 1mm5A10 HIS 103 HB3 -0.12 -0.03 -0.08 -0.04 3.20 2.92 1mm5A10 HIS 103 HD2 -0.08 0.11 -0.33 -0.04 6.97 6.63 1mm5A10 HIS 103 HE1 -0.01 -0.03 -0.07 -0.04 7.75 7.59 1mm5A10 LEU 104 H -0.03 0.41 0.37 -0.55 8.37 8.58 1mm5A10 LEU 104 HA 0.14 0.24 1.11 -0.75 4.35 5.09 1mm5A10 LEU 104 HB2 0.18 -0.02 -0.10 -0.04 1.64 1.66 1mm5A10 LEU 104 HB3 0.16 0.00 0.06 -0.04 1.64 1.82 1mm5A10 LEU 104 HG 0.11 0.00 0.08 -0.04 1.64 1.79 1mm5A10 LEU 104 HD13 0.23 0.01 0.08 -0.04 0.93 1.21 1mm5A10 LEU 104 HD23 0.08 -0.02 -0.04 -0.04 0.89 0.86 1mm5A10 GLY 105 H 0.08 0.32 0.38 -0.55 8.43 8.68 1mm5A10 GLY 105 HA2 0.04 0.18 0.69 -0.51 4.01 4.41 1mm5A10 GLY 105 HA3 -0.01 0.02 0.42 -0.51 4.01 3.93 1mm5A10 LEU 106 H 0.05 0.34 0.32 -0.55 8.37 8.53 1mm5A10 LEU 106 HA 0.12 0.08 0.93 -0.75 4.35 4.73 1mm5A10 LEU 106 HB2 0.05 -0.02 0.13 -0.04 1.64 1.76 1mm5A10 LEU 106 HB3 0.10 0.04 0.08 -0.04 1.64 1.83 1mm5A10 LEU 106 HG 0.06 -0.02 -0.58 -0.04 1.64 1.06 1mm5A10 LEU 106 HD13 0.02 -0.01 -0.04 -0.04 0.93 0.86 1mm5A10 LEU 106 HD23 0.08 0.03 0.11 -0.04 0.89 1.07 1mm5A10 GLY 107 H 0.16 0.43 0.36 -0.55 8.43 8.83 1mm5A10 GLY 107 HA2 0.01 0.04 0.67 -0.51 4.01 4.22 1mm5A10 GLY 107 HA3 -0.04 0.18 0.70 -0.51 4.01 4.34 1mm5A10 PHE 108 H -0.58 0.63 0.44 -0.55 8.34 8.28 1mm5A10 PHE 108 HA 0.08 -0.06 1.13 -0.75 4.62 5.01 1mm5A10 PHE 108 HB2 0.03 0.02 -0.05 -0.04 3.15 3.11 1mm5A10 PHE 108 HB3 0.06 0.02 -0.00 -0.04 3.06 3.09 1mm5A10 PHE 108 HD2 0.05 0.00 -0.10 -0.04 7.28 7.19 1mm5A10 PHE 108 HE2 -0.06 -0.01 0.03 -0.04 7.38 7.30 1mm5A10 PHE 108 HZ 0.02 -0.02 0.02 -0.04 7.32 7.30 1mm5A10 THR 109 H 0.20 0.53 0.29 -0.55 8.28 8.75 1mm5A10 THR 109 HA 0.26 0.36 1.15 -0.75 4.39 5.41 1mm5A10 THR 109 HB 0.15 -0.07 -0.20 -0.04 4.32 4.15 1mm5A10 THR 109 HG23 0.16 -0.04 -0.33 -0.04 1.22 0.97 1mm5A10 ALA 110 H 0.19 0.59 0.32 -0.55 8.40 8.95 1mm5A10 ALA 110 HA 0.02 0.25 1.10 -0.75 4.34 4.95 1mm5A10 ALA 110 HB3 -0.03 -0.03 0.09 -0.04 1.41 1.40 1mm5A10 GLY 111 H -0.02 0.30 0.27 -0.55 8.43 8.43 1mm5A10 GLY 111 HA2 0.15 0.17 0.98 -0.51 4.01 4.80 1mm5A10 GLY 111 HA3 -0.05 0.19 0.62 -0.51 4.01 4.25 1mm5A10 VAL 112 H -0.05 0.51 0.32 -0.55 8.24 8.47 1mm5A10 VAL 112 HA -0.05 0.15 0.73 -0.75 4.13 4.20 1mm5A10 VAL 112 HB -0.03 0.06 -0.08 -0.04 2.12 2.03 1mm5A10 VAL 112 HG13 -0.04 0.03 -0.13 -0.04 0.97 0.79 1mm5A10 VAL 112 HG23 0.01 -0.02 0.02 -0.04 0.95 0.93 1mm5A10 THR 113 H -0.05 0.20 0.01 -0.55 8.28 7.90 1mm5A10 THR 113 HA -0.03 0.17 0.97 -0.75 4.39 4.75 1mm5A10 THR 113 HB -0.02 -0.06 0.20 -0.04 4.32 4.40 1mm5A10 THR 113 HG23 0.01 0.05 0.03 -0.04 1.22 1.28 1mm5A10 ALA 114 H 0.03 0.32 0.23 -0.55 8.40 8.43 1mm5A10 ALA 114 HA 0.05 0.06 0.48 -0.75 4.34 4.17 1mm5A10 ALA 114 HB3 0.08 0.11 0.20 -0.04 1.41 1.76 1mm5A10 ARG 115 H 0.10 0.11 0.11 -0.55 8.46 8.23 1mm5A10 ARG 115 HA 0.26 0.21 0.70 -0.75 4.34 4.76 1mm5A10 ARG 115 HB2 0.24 -0.30 -0.00 -0.04 1.90 1.80 1mm5A10 ARG 115 HB3 0.16 -0.00 -0.11 -0.04 1.80 1.81 1mm5A10 ARG 115 HG2 0.12 0.09 -0.09 -0.04 1.67 1.76 1mm5A10 ARG 115 HG3 0.09 0.01 -0.01 -0.04 1.67 1.73 1mm5A10 ARG 115 HD2 0.04 0.08 -0.21 -0.04 3.22 3.09 1mm5A10 ARG 115 HD3 0.05 0.05 -0.73 -0.04 3.22 2.55 1mm5A10 ASP 116 H 0.32 -0.13 0.13 -0.55 8.40 8.18 1mm5A10 ASP 116 HA -0.01 0.30 0.92 -0.75 4.63 5.09 1mm5A10 ASP 116 HB2 -0.56 -0.11 0.10 -0.04 2.71 2.10 1mm5A10 ASP 116 HB3 -0.31 0.05 -0.04 -0.04 2.70 2.36 1mm5A10 ASN 117 H -0.50 -0.07 0.15 -0.55 8.53 7.58 1mm5A10 ASN 117 HA -0.12 0.16 0.38 -0.75 4.76 4.43 1mm5A10 ASN 117 HB2 -0.27 0.02 -0.39 -0.04 2.88 2.21 1mm5A10 ASN 117 HB3 -0.40 -0.01 0.10 -0.04 2.79 2.44 1mm5A10 ASN 117 HD21 -0.12 -0.01 0.16 -0.04 7.03 7.03 1mm5A10 ASN 117 HD22 -0.06 -0.00 0.05 -0.04 7.74 7.69 1mm5A10 TRP 118 H 0.13 -0.12 0.10 -0.55 7.97 7.54 1mm5A10 TRP 118 HA 0.01 0.29 0.92 -0.75 4.62 5.08 1mm5A10 TRP 118 HB2 -0.02 -0.18 0.24 -0.04 3.23 3.23 1mm5A10 TRP 118 HB3 -0.02 0.08 0.08 -0.04 3.23 3.32 1mm5A10 TRP 118 HD1 -0.02 0.05 0.03 -0.04 7.22 7.24 1mm5A10 TRP 118 HE1 -0.02 0.03 -0.01 -0.04 10.20 10.16 1mm5A10 TRP 118 HE3 -0.02 -0.18 0.14 -0.04 7.59 7.50 1mm5A10 TRP 118 HZ2 -0.04 0.03 -0.02 -0.04 7.44 7.38 1mm5A10 TRP 118 HZ3 -0.03 0.10 0.01 -0.04 7.13 7.17 1mm5A10 TRP 118 HH2 -0.04 0.05 -0.02 -0.04 7.19 7.14 1mm5A10 ASN 119 H 0.32 -0.06 0.07 -0.55 8.53 8.31 1mm5A10 ASN 119 HA 0.20 0.18 0.49 -0.75 4.76 4.87 1mm5A10 ASN 119 HB2 0.17 0.04 -0.35 -0.04 2.88 2.70 1mm5A10 ASN 119 HB3 0.19 -0.09 0.05 -0.04 2.79 2.90 1mm5A10 ASN 119 HD21 0.32 -0.03 -0.04 -0.04 7.03 7.24 1mm5A10 ASN 119 HD22 0.24 0.01 -0.01 -0.04 7.74 7.93 1mm5A10 TYR 120 H 0.01 0.06 0.14 -0.55 8.29 7.95 1mm5A10 TYR 120 HA 0.07 0.06 0.33 -0.75 4.56 4.26 1mm5A10 TYR 120 HB2 0.03 0.02 0.20 -0.04 3.06 3.26 1mm5A10 TYR 120 HB3 0.04 0.25 0.02 -0.04 2.98 3.25 1mm5A10 TYR 120 HD2 0.02 -0.07 -0.18 -0.04 7.15 6.88 1mm5A10 TYR 120 HE2 0.01 0.01 -0.04 -0.04 6.85 6.79 1mm5A10 ILE 121 H -0.04 -0.10 0.13 -0.55 8.25 7.69 1mm5A10 ILE 121 HA -0.23 0.27 0.88 -0.75 4.18 4.34 1mm5A10 ILE 121 HB -0.25 0.15 0.04 -0.04 1.89 1.79 1mm5A10 ILE 121 HG12 -0.26 -0.05 0.10 -0.04 1.49 1.23 1mm5A10 ILE 121 HG13 -0.15 -0.13 0.25 -0.04 1.21 1.14 1mm5A10 ILE 121 HG23 -0.36 -0.02 -0.04 -0.04 0.93 0.47 1mm5A10 ILE 121 HD13 -0.58 0.03 0.01 -0.04 0.88 0.31 1mm5A10 PRO 122 HA -0.02 0.27 0.42 -0.51 4.44 4.60 1mm5A10 PRO 122 HB2 -0.04 -0.07 -0.05 -0.04 2.28 2.08 1mm5A10 PRO 122 HB3 -0.01 0.05 0.05 -0.04 2.02 2.08 1mm5A10 PRO 122 HG2 -0.06 0.00 0.10 -0.04 2.03 2.03 1mm5A10 PRO 122 HG3 -0.02 0.02 0.07 -0.04 2.03 2.06 1mm5A10 PRO 122 HD2 -0.10 0.04 0.31 -0.04 3.68 3.88 1mm5A10 PRO 122 HD3 -0.02 0.28 0.15 -0.04 3.65 4.02 1mm5A10 LEU 123 H -0.05 0.30 0.19 -0.55 8.37 8.27 1mm5A10 LEU 123 HA -0.12 0.22 0.88 -0.75 4.35 4.58 1mm5A10 LEU 123 HB2 -0.10 0.03 0.10 -0.04 1.64 1.63 1mm5A10 LEU 123 HB3 -0.06 -0.07 0.22 -0.04 1.64 1.69 1mm5A10 LEU 123 HG -0.10 0.12 -0.03 -0.04 1.64 1.59 1mm5A10 LEU 123 HD13 -0.22 -0.01 -0.01 -0.04 0.93 0.66 1mm5A10 LEU 123 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.75 1mm5A10 PRO 124 HA -0.06 0.22 0.72 -0.51 4.44 4.81 1mm5A10 PRO 124 HB2 -0.08 0.01 -0.03 -0.04 2.28 2.14 1mm5A10 PRO 124 HB3 -0.07 0.01 0.09 -0.04 2.02 2.01 1mm5A10 PRO 124 HG2 -0.09 -0.01 0.11 -0.04 2.03 2.00 1mm5A10 PRO 124 HG3 -0.09 0.02 0.07 -0.04 2.03 1.99 1mm5A10 PRO 124 HD2 -0.11 0.06 0.32 -0.04 3.68 3.91 1mm5A10 PRO 124 HD3 -0.09 0.28 0.01 -0.04 3.65 3.81 1mm5A10 VAL 125 H -0.06 0.48 0.30 -0.55 8.24 8.41 1mm5A10 VAL 125 HA -0.06 0.15 0.87 -0.75 4.13 4.33 1mm5A10 VAL 125 HB -0.05 0.01 -0.05 -0.04 2.12 2.00 1mm5A10 VAL 125 HG13 -0.06 0.02 -0.28 -0.04 0.97 0.61 1mm5A10 VAL 125 HG23 -0.06 -0.01 -0.06 -0.04 0.95 0.78 1mm5A10 LEU 126 H -0.05 0.20 0.13 -0.55 8.37 8.10 1mm5A10 LEU 126 HA -0.04 0.16 1.03 -0.75 4.35 4.75 1mm5A10 LEU 126 HB2 -0.09 -0.02 -0.01 -0.04 1.64 1.48 1mm5A10 LEU 126 HB3 -0.07 0.01 0.14 -0.04 1.64 1.68 1mm5A10 LEU 126 HG -0.12 0.01 -0.03 -0.04 1.64 1.46 1mm5A10 LEU 126 HD13 -0.18 -0.00 -0.04 -0.04 0.93 0.66 1mm5A10 LEU 126 HD23 -0.11 0.01 -0.22 -0.04 0.89 0.53 1mm5A10 LEU 127 H 0.01 0.62 0.24 -0.55 8.37 8.70 1mm5A10 LEU 127 HA -0.03 0.18 0.89 -0.75 4.35 4.64 1mm5A10 LEU 127 HB2 0.00 -0.01 -0.00 -0.04 1.64 1.59 1mm5A10 LEU 127 HB3 0.03 0.04 -0.08 -0.04 1.64 1.58 1mm5A10 LEU 127 HG 0.01 0.06 0.04 -0.04 1.64 1.71 1mm5A10 LEU 127 HD13 -0.02 0.04 -0.31 -0.04 0.93 0.60 1mm5A10 LEU 127 HD23 0.06 -0.02 -0.11 -0.04 0.89 0.78 1mm5A10 PRO 128 HA 0.06 -0.09 0.71 -0.51 4.44 4.60 1mm5A10 PRO 128 HB2 -1.72 0.02 0.16 -0.04 2.28 0.70 1mm5A10 PRO 128 HB3 -0.18 0.03 0.22 -0.04 2.02 2.05 1mm5A10 PRO 128 HG2 -0.41 0.09 0.23 -0.04 2.03 1.90 1mm5A10 PRO 128 HG3 -0.11 -0.03 0.13 -0.04 2.03 1.99 1mm5A10 PRO 128 HD2 -0.21 0.30 0.32 -0.04 3.68 4.05 1mm5A10 PRO 128 HD3 -0.09 0.13 0.25 -0.04 3.65 3.89 1mm5A10 LEU 129 H 0.14 0.45 0.41 -0.55 8.37 8.83 1mm5A10 LEU 129 HA 0.26 0.22 0.91 -0.75 4.35 4.98 1mm5A10 LEU 129 HB2 0.13 0.08 -0.26 -0.04 1.64 1.55 1mm5A10 LEU 129 HB3 0.15 -0.09 -0.20 -0.04 1.64 1.46 1mm5A10 LEU 129 HG 0.27 0.07 -0.14 -0.04 1.64 1.79 1mm5A10 LEU 129 HD13 0.07 -0.01 -0.30 -0.04 0.93 0.65 1mm5A10 LEU 129 HD23 0.18 -0.05 -0.47 -0.04 0.89 0.52 1mm5A10 ALA 130 H 0.30 0.61 0.37 -0.55 8.40 9.13 1mm5A10 ALA 130 HA 0.19 0.07 0.98 -0.75 4.34 4.84 1mm5A10 ALA 130 HB3 0.19 0.03 0.13 -0.04 1.41 1.72 1mm5A10 SER 131 H 0.13 0.37 0.02 -0.55 8.46 8.43 1mm5A10 SER 131 HA 0.17 0.21 0.97 -0.75 4.49 5.08 1mm5A10 SER 131 HB2 0.06 0.02 -0.18 -0.04 3.95 3.82 1mm5A10 SER 131 HB3 0.15 0.01 -0.22 -0.04 3.93 3.82 1mm5A10 VAL 132 H 0.17 0.75 0.29 -0.55 8.24 8.90 1mm5A10 VAL 132 HA 0.11 0.35 0.94 -0.75 4.13 4.78 1mm5A10 VAL 132 HB 0.12 -0.03 -0.08 -0.04 2.12 2.10 1mm5A10 VAL 132 HG13 0.09 0.01 0.02 -0.04 0.97 1.05 1mm5A10 VAL 132 HG23 0.11 0.02 -0.00 -0.04 0.95 1.03 1mm5A10 GLY 133 H 0.03 0.46 0.29 -0.55 8.43 8.67 1mm5A10 GLY 133 HA2 0.01 0.12 0.90 -0.51 4.01 4.53 1mm5A10 GLY 133 HA3 -0.02 0.03 0.52 -0.51 4.01 4.04 1mm5A10 TYR 134 H -0.05 0.85 0.30 -0.55 8.29 8.84 1mm5A10 TYR 134 HA -0.21 0.09 0.50 -0.75 4.56 4.19 1mm5A10 TYR 134 HB2 -0.47 0.14 -0.11 -0.04 3.06 2.58 1mm5A10 TYR 134 HB3 -0.20 -0.02 -0.04 -0.04 2.98 2.68 1mm5A10 TYR 134 HD2 -0.15 0.02 -0.14 -0.04 7.15 6.84 1mm5A10 TYR 134 HE2 0.02 -0.04 -0.01 -0.04 6.85 6.77 1mm5A10 GLY 135 H -0.62 0.12 0.13 -0.55 8.43 7.52 1mm5A10 GLY 135 HA2 -0.34 0.01 0.37 -0.51 4.01 3.54 1mm5A10 GLY 135 HA3 -0.23 0.09 0.51 -0.51 4.01 3.88 1mm5A10 PRO 136 HA -0.27 0.13 0.53 -0.51 4.44 4.33 1mm5A10 PRO 136 HB2 -0.24 0.03 0.24 -0.04 2.28 2.27 1mm5A10 PRO 136 HB3 -0.13 0.01 0.13 -0.04 2.02 1.99 1mm5A10 PRO 136 HG2 -0.07 0.04 0.02 -0.04 2.03 1.98 1mm5A10 PRO 136 HG3 -0.04 0.00 0.09 -0.04 2.03 2.05 1mm5A10 PRO 136 HD2 -0.05 0.18 0.23 -0.04 3.68 4.00 1mm5A10 PRO 136 HD3 -0.09 0.04 0.23 -0.04 3.65 3.78 1mm5A10 VAL 137 H -0.19 0.31 -0.71 -0.55 8.24 7.10 1mm5A10 VAL 137 HA -0.41 0.18 0.90 -0.75 4.13 4.04 1mm5A10 VAL 137 HB -0.09 0.00 -0.11 -0.04 2.12 1.89 1mm5A10 VAL 137 HG13 0.01 -0.04 0.05 -0.04 0.97 0.95 1mm5A10 VAL 137 HG23 0.05 -0.02 -0.04 -0.04 0.95 0.90 1mm5A10 THR 138 H -0.12 0.40 0.27 -0.55 8.28 8.29 1mm5A10 THR 138 HA 0.00 0.03 1.02 -0.75 4.39 4.69 1mm5A10 THR 138 HB 0.00 -0.02 -0.10 -0.04 4.32 4.16 1mm5A10 THR 138 HG23 0.03 -0.01 -0.13 -0.04 1.22 1.07 1mm5A10 PHE 139 H 0.16 0.36 0.13 -0.55 8.34 8.44 1mm5A10 PHE 139 HA 0.08 0.19 1.08 -0.75 4.62 5.22 1mm5A10 PHE 139 HB2 0.02 -0.08 -0.03 -0.04 3.15 3.01 1mm5A10 PHE 139 HB3 0.03 0.18 0.19 -0.04 3.06 3.41 1mm5A10 PHE 139 HD2 0.08 0.00 -0.27 -0.04 7.28 7.05 1mm5A10 PHE 139 HE2 0.07 0.01 -0.08 -0.04 7.38 7.33 1mm5A10 PHE 139 HZ 0.02 -0.05 -0.02 -0.04 7.32 7.23 1mm5A10 GLN 140 H -0.03 0.41 0.30 -0.55 8.47 8.61 1mm5A10 GLN 140 HA 0.32 0.28 1.10 -0.75 4.36 5.31 1mm5A10 GLN 140 HB2 0.22 0.01 0.05 -0.04 2.15 2.39 1mm5A10 GLN 140 HB3 0.24 0.00 -0.08 -0.04 2.02 2.14 1mm5A10 GLN 140 HG2 0.19 0.08 -0.09 -0.04 2.40 2.54 1mm5A10 GLN 140 HG3 0.14 -0.09 -0.46 -0.04 2.39 1.94 1mm5A10 GLN 140 HE21 0.02 -0.03 -0.24 -0.04 6.97 6.67 1mm5A10 GLN 140 HE22 -0.04 0.06 -0.25 -0.04 7.69 7.42 1mm5A10 MET 141 H 0.35 0.35 0.25 -0.55 8.47 8.88 1mm5A10 MET 141 HA 0.55 0.44 1.10 -0.75 4.52 5.85 1mm5A10 MET 141 HB2 0.29 -0.01 -0.04 -0.04 2.15 2.35 1mm5A10 MET 141 HB3 0.27 -0.04 0.00 -0.04 2.03 2.23 1mm5A10 MET 141 HG2 0.39 -0.05 -0.06 -0.04 2.63 2.86 1mm5A10 MET 141 HG3 0.34 0.01 -0.12 -0.04 2.56 2.75 1mm5A10 MET 141 HE3 -0.08 -0.01 -0.13 -0.04 2.10 1.84 1mm5A10 THR 142 H 0.63 0.35 0.29 -0.55 8.28 9.00 1mm5A10 THR 142 HA 0.32 0.26 1.18 -0.75 4.39 5.40 1mm5A10 THR 142 HB 0.58 -0.10 0.12 -0.04 4.32 4.88 1mm5A10 THR 142 HG23 0.13 0.01 -0.17 -0.04 1.22 1.15 1mm5A10 TYR 143 H 0.21 0.30 0.11 -0.55 8.29 8.36 1mm5A10 TYR 143 HA 0.29 0.43 1.05 -0.75 4.56 5.58 1mm5A10 TYR 143 HB2 0.35 -0.03 -0.05 -0.04 3.06 3.29 1mm5A10 TYR 143 HB3 0.62 -0.04 -0.08 -0.04 2.98 3.44 1mm5A10 TYR 143 HD2 0.20 -0.01 -0.10 -0.04 7.15 7.21 1mm5A10 TYR 143 HE2 0.14 0.01 -0.03 -0.04 6.85 6.94 1mm5A10 ILE 144 H 0.10 0.37 0.18 -0.55 8.25 8.35 1mm5A10 ILE 144 HA -0.00 0.28 1.01 -0.75 4.18 4.71 1mm5A10 ILE 144 HB 0.04 -0.12 0.19 -0.04 1.89 1.96 1mm5A10 ILE 144 HG12 0.08 0.01 -0.06 -0.04 1.49 1.48 1mm5A10 ILE 144 HG13 0.07 0.10 -0.37 -0.04 1.21 0.96 1mm5A10 ILE 144 HG23 0.01 0.04 -0.05 -0.04 0.93 0.89 1mm5A10 ILE 144 HD13 0.27 0.02 -0.12 -0.04 0.88 1.01 1mm5A10 PRO 145 HA 0.07 -0.12 0.39 -0.51 4.44 4.27 1mm5A10 PRO 145 HB2 0.08 0.08 0.11 -0.04 2.28 2.51 1mm5A10 PRO 145 HB3 0.11 0.02 0.04 -0.04 2.02 2.14 1mm5A10 PRO 145 HG2 0.19 0.05 0.08 -0.04 2.03 2.32 1mm5A10 PRO 145 HG3 0.33 0.01 0.02 -0.04 2.03 2.35 1mm5A10 PRO 145 HD2 0.05 0.13 0.24 -0.04 3.68 4.06 1mm5A10 PRO 145 HD3 0.17 0.33 -0.14 -0.04 3.65 3.97 1mm5A10 GLY 146 H 0.01 -0.11 0.16 -0.55 8.43 7.94 1mm5A10 GLY 146 HA2 0.00 0.28 0.71 -0.51 4.01 4.49 1mm5A10 GLY 146 HA3 -0.01 -0.13 0.40 -0.51 4.01 3.75 1mm5A10 THR 147 H 0.02 -0.05 -0.01 -0.55 8.28 7.68 1mm5A10 THR 147 HA 0.05 0.32 0.88 -0.75 4.39 4.88 1mm5A10 THR 147 HB 0.06 -0.19 0.08 -0.04 4.32 4.23 1mm5A10 THR 147 HG23 0.03 0.03 0.02 -0.04 1.22 1.26 1mm5A10 TYR 148 H 0.08 -0.17 0.00 -0.55 8.29 7.65 1mm5A10 TYR 148 HA 0.01 0.16 0.37 -0.75 4.56 4.35 1mm5A10 TYR 148 HB2 0.01 0.31 0.00 -0.04 3.06 3.34 1mm5A10 TYR 148 HB3 0.00 -0.18 -0.01 -0.04 2.98 2.76 1mm5A10 TYR 148 HD2 0.01 -0.01 -0.00 -0.04 7.15 7.11 1mm5A10 TYR 148 HE2 0.02 0.01 -0.02 -0.04 6.85 6.81 1mm5A10 ASN 149 H 0.14 0.07 0.17 -0.55 8.53 8.36 1mm5A10 ASN 149 HA -0.16 0.34 0.94 -0.75 4.76 5.13 1mm5A10 ASN 149 HB2 0.13 -0.04 0.09 -0.04 2.88 3.01 1mm5A10 ASN 149 HB3 0.02 0.04 -0.00 -0.04 2.79 2.81 1mm5A10 ASN 149 HD21 -0.68 -0.09 -0.35 -0.04 7.03 5.86 1mm5A10 ASN 149 HD22 -0.24 0.03 -0.04 -0.04 7.74 7.46 1mm5A10 ASN 150 H 0.02 -0.14 0.12 -0.55 8.53 7.98 1mm5A10 ASN 150 HA -0.05 0.28 0.76 -0.75 4.76 4.99 1mm5A10 ASN 150 HB2 0.00 -0.09 0.15 -0.04 2.88 2.90 1mm5A10 ASN 150 HB3 -0.02 0.08 0.23 -0.04 2.79 3.04 1mm5A10 ASN 150 HD21 0.03 -0.04 0.05 -0.04 7.03 7.02 1mm5A10 ASN 150 HD22 0.02 0.06 0.00 -0.04 7.74 7.78 1mm5A10 GLY 151 H -0.08 0.21 -0.72 -0.55 8.43 7.30 1mm5A10 GLY 151 HA2 -0.13 0.24 0.56 -0.51 4.01 4.17 1mm5A10 GLY 151 HA3 -0.06 -0.21 0.38 -0.51 4.01 3.62 1mm5A10 ASN 152 H -0.07 0.12 0.20 -0.55 8.53 8.23 1mm5A10 ASN 152 HA -0.09 0.02 0.23 -0.75 4.76 4.16 1mm5A10 ASN 152 HB2 -0.08 0.14 -0.35 -0.04 2.88 2.56 1mm5A10 ASN 152 HB3 -0.06 0.04 0.22 -0.04 2.79 2.95 1mm5A10 ASN 152 HD21 0.05 0.04 -0.06 -0.04 7.03 7.02 1mm5A10 ASN 152 HD22 0.09 0.02 -0.04 -0.04 7.74 7.77 1mm5A10 VAL 153 H -0.22 0.13 0.07 -0.55 8.24 7.66 1mm5A10 VAL 153 HA -0.59 0.25 0.87 -0.75 4.13 3.90 1mm5A10 VAL 153 HB -0.51 -0.01 -0.07 -0.04 2.12 1.49 1mm5A10 VAL 153 HG13 -0.12 0.01 -0.03 -0.04 0.97 0.79 1mm5A10 VAL 153 HG23 -0.87 0.02 0.05 -0.04 0.95 0.11 1mm5A10 TYR 154 H 0.04 0.19 0.19 -0.55 8.29 8.16 1mm5A10 TYR 154 HA 0.29 0.49 0.98 -0.75 4.56 5.56 1mm5A10 TYR 154 HB2 0.50 -0.04 -0.03 -0.04 3.06 3.45 1mm5A10 TYR 154 HB3 0.30 -0.02 -0.07 -0.04 2.98 3.15 1mm5A10 TYR 154 HD2 0.39 0.01 -0.17 -0.04 7.15 7.34 1mm5A10 TYR 154 HE2 0.20 -0.00 -0.11 -0.04 6.85 6.89 1mm5A10 PHE 155 H 0.56 0.24 0.28 -0.55 8.34 8.87 1mm5A10 PHE 155 HA 0.09 0.15 1.08 -0.75 4.62 5.18 1mm5A10 PHE 155 HB2 0.57 0.01 0.12 -0.04 3.15 3.81 1mm5A10 PHE 155 HB3 -0.16 0.07 -0.03 -0.04 3.06 2.90 1mm5A10 PHE 155 HD2 -0.02 0.04 -0.01 -0.04 7.28 7.25 1mm5A10 PHE 155 HE2 0.00 -0.02 -0.04 -0.04 7.38 7.28 1mm5A10 PHE 155 HZ 0.01 -0.02 -0.03 -0.04 7.32 7.23 1mm5A10 ALA 156 H -0.08 0.39 0.32 -0.55 8.40 8.48 1mm5A10 ALA 156 HA 0.14 0.20 0.84 -0.75 4.34 4.77 1mm5A10 ALA 156 HB3 0.07 -0.02 0.16 -0.04 1.41 1.58 1mm5A10 TRP 157 H -0.28 0.32 0.27 -0.55 7.97 7.73 1mm5A10 TRP 157 HA -0.05 0.15 0.77 -0.75 4.62 4.73 1mm5A10 TRP 157 HB2 -0.01 -0.03 0.04 -0.04 3.23 3.19 1mm5A10 TRP 157 HB3 0.03 -0.02 -0.13 -0.04 3.23 3.07 1mm5A10 TRP 157 HD1 0.16 0.24 -0.18 -0.04 7.22 7.40 1mm5A10 TRP 157 HE1 0.26 -0.06 -0.12 -0.04 10.20 10.24 1mm5A10 TRP 157 HE3 0.07 -0.03 -0.24 -0.04 7.59 7.35 1mm5A10 TRP 157 HZ2 -0.36 -0.02 -0.10 -0.04 7.44 6.93 1mm5A10 TRP 157 HZ3 0.05 0.00 -0.09 -0.04 7.13 7.05 1mm5A10 TRP 157 HH2 -0.23 -0.01 -0.09 -0.04 7.19 6.83 1mm5A10 MET 158 H 0.04 0.67 0.29 -0.55 8.47 8.93 1mm5A10 MET 158 HA -0.13 0.12 0.80 -0.75 4.52 4.55 1mm5A10 MET 158 HB2 0.05 0.16 0.22 -0.04 2.15 2.54 1mm5A10 MET 158 HB3 0.12 -0.00 0.02 -0.04 2.03 2.12 1mm5A10 MET 158 HG2 -0.10 -0.08 -0.01 -0.04 2.63 2.40 1mm5A10 MET 158 HG3 0.06 -0.01 0.01 -0.04 2.56 2.59 1mm5A10 MET 158 HE3 0.18 -0.01 -0.01 -0.04 2.10 2.21 1mm5A10 ARG 159 H -0.03 0.52 0.32 -0.55 8.46 8.71 1mm5A10 ARG 159 HA -0.15 0.47 1.06 -0.75 4.34 4.97 1mm5A10 ARG 159 HB2 -0.27 -0.00 -0.19 -0.04 1.90 1.40 1mm5A10 ARG 159 HB3 -0.10 -0.08 0.03 -0.04 1.80 1.61 1mm5A10 ARG 159 HG2 -0.46 0.02 -0.15 -0.04 1.67 1.04 1mm5A10 ARG 159 HG3 -0.53 -0.04 -0.21 -0.04 1.67 0.85 1mm5A10 ARG 159 HD2 -0.05 -0.05 -0.23 -0.04 3.22 2.85 1mm5A10 ARG 159 HD3 -0.03 0.05 -0.42 -0.04 3.22 2.78 1mm5A10 PHE 160 H 0.19 0.42 0.30 -0.55 8.34 8.70 1mm5A10 PHE 160 HA -0.10 0.19 1.00 -0.75 4.62 4.95 1mm5A10 PHE 160 HB2 0.10 0.01 0.07 -0.04 3.15 3.28 1mm5A10 PHE 160 HB3 0.01 0.01 -0.03 -0.04 3.06 3.01 1mm5A10 PHE 160 HD2 -0.50 0.02 -0.03 -0.04 7.28 6.73 1mm5A10 PHE 160 HE2 -0.12 -0.04 0.05 -0.04 7.38 7.23 1mm5A10 PHE 160 HZ -0.05 -0.06 0.04 -0.04 7.32 7.22 1mm5A10 GLN 161 H -0.46 0.22 0.20 -0.55 8.47 7.89 1mm5A10 GLN 161 HA 0.18 0.42 1.00 -0.75 4.36 5.21 1mm5A10 GLN 161 HB2 -0.25 0.01 -0.03 -0.04 2.15 1.84 1mm5A10 GLN 161 HB3 -0.22 -0.03 -0.12 -0.04 2.02 1.61 1mm5A10 GLN 161 HG2 -0.39 -0.00 0.13 -0.04 2.40 2.10 1mm5A10 GLN 161 HG3 -0.25 0.01 -0.08 -0.04 2.39 2.02 1mm5A10 GLN 161 HE21 -0.32 -0.01 -0.12 -0.04 6.97 6.48 1mm5A10 GLN 161 HE22 -0.28 0.03 -0.09 -0.04 7.69 7.31 1mm5A10 PHE 162 H 0.40 0.35 0.31 -0.55 8.34 8.85 1mm5A10 PHE 162 HA 0.14 0.20 0.92 -0.75 4.62 5.12 1mm5A10 PHE 162 HB2 0.10 -0.02 0.03 -0.04 3.15 3.23 1mm5A10 PHE 162 HB3 0.05 -0.02 0.15 -0.04 3.06 3.19 1mm5A10 PHE 162 HD2 0.19 0.12 -0.07 -0.04 7.28 7.48 1mm5A10 PHE 162 HE2 0.11 -0.01 -0.10 -0.04 7.38 7.34 1mm5A10 PHE 162 HZ -0.11 -0.01 -0.07 -0.04 7.32 7.09 1mm5A10 LEU 163 H 0.23 0.18 0.18 -0.55 8.37 8.41 1mm5A10 LEU 163 HA 0.04 0.24 1.01 -0.75 4.35 4.88 1mm5A10 LEU 163 HB2 -0.13 -0.02 0.02 -0.04 1.64 1.47 1mm5A10 LEU 163 HB3 -0.32 -0.07 -0.14 -0.04 1.64 1.07 1mm5A10 LEU 163 HG -0.03 0.05 0.15 -0.04 1.64 1.78 1mm5A10 LEU 163 HD13 0.01 0.03 -0.11 -0.04 0.93 0.81 1mm5A10 LEU 163 HD23 -0.24 0.02 0.03 -0.04 0.89 0.66 1mm5A10 GLU 164 H -0.09 0.23 0.20 -0.55 8.60 8.39 1mm5A10 GLU 164 HA -0.13 0.14 0.62 -0.75 4.29 4.15 1mm5A10 GLU 164 HB2 -0.40 0.04 0.16 -0.04 2.09 1.85 1mm5A10 GLU 164 HB3 -0.39 0.00 0.02 -0.04 1.99 1.59 1mm5A10 GLU 164 HG2 -0.14 -0.00 0.02 -0.04 2.34 2.17 1mm5A10 GLU 164 HG3 -0.10 -0.01 -0.05 -0.04 2.34 2.14 1mm5A10 HIS 165 H 0.02 0.15 0.04 -0.55 8.41 8.08 1mm5A10 HIS 165 HA -0.02 0.12 0.49 -0.75 4.63 4.48 1mm5A10 HIS 165 HB2 -0.06 -0.07 0.02 -0.04 3.26 3.11 1mm5A10 HIS 165 HB3 -0.05 0.19 -0.04 -0.04 3.20 3.25 1mm5A10 HIS 165 HD2 -0.08 0.03 -0.04 -0.04 6.97 6.84 1mm5A10 HIS 165 HE1 -0.06 0.10 0.06 -0.04 7.75 7.80 1mm5A10 HIS 166 H 0.20 0.24 -0.03 -0.55 8.41 8.27 1mm5A10 HIS 166 HA 0.05 0.26 0.79 -0.75 4.63 4.98 1mm5A10 HIS 166 HB2 0.12 0.05 -0.02 -0.04 3.26 3.36 1mm5A10 HIS 166 HB3 -0.18 -0.05 0.16 -0.04 3.20 3.08 1mm5A10 HIS 166 HD2 0.13 0.03 -0.12 -0.04 6.97 6.97 1mm5A10 HIS 166 HE1 0.06 0.04 -0.02 -0.04 7.75 7.79 1mm5A10 HIS 167 H -0.07 0.12 -0.52 -0.55 8.41 7.39 1mm5A10 HIS 167 HA -0.04 0.05 0.32 -0.75 4.63 4.21 1mm5A10 HIS 167 HB2 0.05 0.03 -0.44 -0.04 3.26 2.86 1mm5A10 HIS 167 HB3 0.20 -0.05 0.21 -0.04 3.20 3.52 1mm5A10 HIS 167 HD2 -0.05 0.04 -0.05 -0.04 6.97 6.87 1mm5A10 HIS 167 HE1 0.02 -0.01 -0.01 -0.04 7.75 7.71 1mm5A10 HIS 168 H 0.35 0.36 0.43 -0.55 8.41 9.01 1mm5A10 HIS 168 HA 0.15 0.14 0.77 -0.75 4.63 4.93 1mm5A10 HIS 168 HB2 0.15 -0.10 0.07 -0.04 3.26 3.34 1mm5A10 HIS 168 HB3 0.13 0.13 0.01 -0.04 3.20 3.43 1mm5A10 HIS 168 HD2 0.09 0.01 0.02 -0.04 6.97 7.04 1mm5A10 HIS 168 HE1 0.15 -0.04 -0.04 -0.04 7.75 7.78 1mm5A10 HIS 169 H 0.31 -0.01 0.22 -0.55 8.41 8.39 1mm5A10 HIS 169 HA 0.22 -0.00 0.39 -0.75 4.63 4.48 1mm5A10 HIS 169 HB2 0.15 -0.02 -0.36 -0.04 3.26 2.99 1mm5A10 HIS 169 HB3 0.10 0.07 0.05 -0.04 3.20 3.38 1mm5A10 HIS 169 HD2 -0.24 0.01 -0.02 -0.04 6.97 6.67 1mm5A10 HIS 169 HE1 -0.08 0.02 0.04 -0.04 7.75 7.69 1mm5A10 HIS 170 H 0.39 0.08 0.07 -0.55 8.41 8.41 1mm5A10 HIS 170 HA 0.06 0.09 0.21 -0.75 4.63 4.23 1mm5A10 HIS 170 HB2 -0.13 0.01 0.10 -0.04 3.26 3.21 1mm5A10 HIS 170 HB3 -0.03 0.03 0.08 -0.04 3.20 3.24 1mm5A10 HIS 170 HD2 0.22 -0.09 0.03 -0.04 6.97 7.08 1mm5A10 HIS 170 HE1 0.01 0.00 0.01 -0.04 7.75 7.73