============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 7 0.840 29.232 73.057 65.445 -99.200 -91.000 TYR 9 0.840 39.389 66.809 68.718 -99.200 -91.000 PHE 18 1.000 39.277 82.230 68.899 -99.200 -91.000 PHE 22 1.000 40.981 75.357 62.107 -99.200 -91.000 TRP 25 1.040 47.655 68.476 56.072 -99.200 -91.000 TRP6 25 1.020 46.682 66.356 56.497 -99.200 -91.000 HIS 34 0.900 38.914 65.710 52.190 -99.200 -91.000 PHE 49 1.000 38.160 70.019 48.906 -99.200 -91.000 TYR 58 0.840 31.622 62.606 63.473 -99.200 -91.000 TYR 62 0.840 38.192 62.310 66.818 -99.200 -91.000 HIS 65 0.900 33.773 57.670 72.427 -99.200 -91.000 HIS 82 0.900 46.058 65.910 84.184 -99.200 -91.000 PHE 83 1.000 40.956 65.656 75.040 -99.200 -91.000 TYR 86 0.840 41.872 73.955 72.940 -99.200 -91.000 TYR 88 0.840 39.274 75.945 67.801 -99.200 -91.000 PHE 96 1.000 33.336 76.719 55.513 -99.200 -91.000 TYR 97 0.840 32.479 74.205 47.416 -99.200 -91.000 TYR 103 0.840 30.942 58.643 47.014 -99.200 -91.000 PHE 104 1.000 25.576 60.481 47.801 -99.200 -91.000 TYR 106 0.840 34.949 60.793 41.706 -99.200 -91.000 TYR 110 0.840 34.560 62.006 36.789 -99.200 -91.000 TYR 125 0.840 30.194 57.799 61.316 -99.200 -91.000 TYR 129 0.840 28.407 70.905 54.724 -99.200 -91.000 HIS 132 0.900 39.192 75.292 46.840 -99.200 -91.000 TYR 147 0.840 42.267 69.850 83.036 -99.200 -91.000 HIS 148 0.900 38.485 63.491 82.364 -99.200 -91.000 TYR 160 0.840 38.917 80.311 76.472 -99.200 -91.000 TYR 165 0.840 31.995 85.555 63.633 -99.200 -91.000 TYR 177 0.840 35.844 71.558 44.795 -99.200 -91.000 TYR 216 0.840 42.932 50.365 52.886 -99.200 -91.000 TYR 217 0.840 33.428 52.422 57.528 -99.200 -91.000 TYR 222 0.840 29.396 43.042 54.681 -99.200 -91.000 PHE 224 1.000 37.521 39.768 58.374 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1prtG1 ASP 2 HA 0.03 -0.02 0.18 -0.75 4.63 4.08 1prtG1 ASP 2 HB2 0.02 -0.07 -0.01 -0.04 2.71 2.60 1prtG1 ASP 2 HB3 0.01 0.09 -0.10 -0.04 2.70 2.66 1prtG1 PRO 3 HA 0.07 0.04 0.42 -0.51 4.44 4.46 1prtG1 PRO 3 HB2 -0.00 -0.00 -0.10 -0.04 2.28 2.13 1prtG1 PRO 3 HB3 0.05 -0.07 -0.34 -0.04 2.02 1.63 1prtG1 PRO 3 HG2 0.04 0.06 -0.03 -0.04 2.03 2.06 1prtG1 PRO 3 HG3 0.07 -0.03 -0.12 -0.04 2.03 1.91 1prtG1 PRO 3 HD2 0.02 0.07 0.11 -0.04 3.68 3.83 1prtG1 PRO 3 HD3 0.04 0.08 0.12 -0.04 3.65 3.85 1prtG1 PRO 4 HA -0.09 0.05 0.47 -0.51 4.44 4.36 1prtG1 PRO 4 HB2 -0.24 0.14 0.05 -0.04 2.28 2.19 1prtG1 PRO 4 HB3 -0.14 0.05 0.20 -0.04 2.02 2.09 1prtG1 PRO 4 HG2 -0.68 -0.05 -0.01 -0.04 2.03 1.25 1prtG1 PRO 4 HG3 -0.90 -0.02 0.06 -0.04 2.03 1.13 1prtG1 PRO 4 HD2 -0.10 0.03 0.18 -0.04 3.68 3.74 1prtG1 PRO 4 HD3 -0.03 0.20 0.23 -0.04 3.65 4.02 1prtG1 ALA 5 H -0.10 0.07 0.27 -0.55 8.40 8.10 1prtG1 ALA 5 HA -0.15 0.17 0.91 -0.75 4.34 4.52 1prtG1 ALA 5 HB3 -0.07 0.02 0.19 -0.04 1.41 1.50 1prtG1 THR 6 H -0.13 0.03 0.19 -0.55 8.28 7.83 1prtG1 THR 6 HA -0.24 0.57 1.21 -0.75 4.39 5.17 1prtG1 THR 6 HB -0.11 -0.07 0.07 -0.04 4.32 4.17 1prtG1 THR 6 HG23 -0.30 0.01 -0.02 -0.04 1.22 0.88 1prtG1 VAL 7 H -0.35 0.59 0.32 -0.55 8.24 8.26 1prtG1 VAL 7 HA -0.14 0.15 0.75 -0.75 4.13 4.14 1prtG1 VAL 7 HB 0.01 -0.08 -0.15 -0.04 2.12 1.86 1prtG1 VAL 7 HG13 -0.30 -0.01 -0.37 -0.04 0.97 0.25 1prtG1 VAL 7 HG23 -0.02 0.02 -0.28 -0.04 0.95 0.62 1prtG1 TYR 8 H 0.20 0.83 0.38 -0.55 8.29 9.15 1prtG1 TYR 8 HA 0.10 0.46 1.11 -0.75 4.56 5.48 1prtG1 TYR 8 HB2 0.10 -0.05 -0.06 -0.04 3.06 3.02 1prtG1 TYR 8 HB3 0.12 -0.01 -0.00 -0.04 2.98 3.04 1prtG1 TYR 8 HD2 0.06 0.14 -0.17 -0.04 7.15 7.14 1prtG1 TYR 8 HE2 0.01 0.08 -0.15 -0.04 6.85 6.76 1prtG1 ARG 9 H 0.27 0.36 0.17 -0.55 8.46 8.70 1prtG1 ARG 9 HA 0.11 0.08 0.81 -0.75 4.34 4.58 1prtG1 ARG 9 HB2 -0.12 0.04 -0.13 -0.04 1.90 1.64 1prtG1 ARG 9 HB3 0.01 -0.07 0.06 -0.04 1.80 1.76 1prtG1 ARG 9 HG2 -1.12 -0.05 -0.10 -0.04 1.67 0.36 1prtG1 ARG 9 HG3 -0.19 0.07 -0.34 -0.04 1.67 1.16 1prtG1 ARG 9 HD2 -0.09 0.09 0.05 -0.04 3.22 3.22 1prtG1 ARG 9 HD3 -0.17 0.15 0.17 -0.04 3.22 3.32 1prtG1 TYR 10 H 0.30 0.08 0.14 -0.55 8.29 8.25 1prtG1 TYR 10 HA 0.23 0.17 0.85 -0.75 4.56 5.06 1prtG1 TYR 10 HB2 0.20 -0.06 0.13 -0.04 3.06 3.29 1prtG1 TYR 10 HB3 0.24 -0.03 0.15 -0.04 2.98 3.30 1prtG1 TYR 10 HD2 0.26 -0.02 -0.09 -0.04 7.15 7.26 1prtG1 TYR 10 HE2 0.28 0.02 -0.02 -0.04 6.85 7.09 1prtG1 ASP 11 H -0.33 0.57 0.43 -0.55 8.40 8.53 1prtG1 ASP 11 HA -0.24 0.11 0.47 -0.75 4.63 4.22 1prtG1 ASP 11 HB2 0.02 0.05 -0.35 -0.04 2.71 2.39 1prtG1 ASP 11 HB3 0.02 0.05 -0.05 -0.04 2.70 2.67 1prtG1 SER 12 H -0.07 0.28 0.12 -0.55 8.46 8.24 1prtG1 SER 12 HA 0.01 0.12 0.75 -0.75 4.49 4.61 1prtG1 SER 12 HB2 0.05 -0.03 0.10 -0.04 3.95 4.03 1prtG1 SER 12 HB3 0.07 0.06 0.16 -0.04 3.93 4.18 1prtG1 ARG 13 H -0.08 0.01 -0.11 -0.55 8.46 7.73 1prtG1 ARG 13 HA -0.15 0.08 0.46 -0.75 4.34 3.98 1prtG1 ARG 13 HB2 -0.16 -0.01 0.03 -0.04 1.90 1.72 1prtG1 ARG 13 HB3 -0.23 0.02 -0.01 -0.04 1.80 1.53 1prtG1 ARG 13 HG2 -0.08 -0.02 -0.01 -0.04 1.67 1.52 1prtG1 ARG 13 HG3 -0.03 -0.02 -0.07 -0.04 1.67 1.50 1prtG1 ARG 13 HD2 -0.14 -0.01 -0.03 -0.04 3.22 2.99 1prtG1 ARG 13 HD3 -0.03 0.00 -0.00 -0.04 3.22 3.14 1prtG1 PRO 14 HA -1.15 0.20 0.56 -0.51 4.44 3.54 1prtG1 PRO 14 HB2 -0.18 -0.08 -0.01 -0.04 2.28 1.97 1prtG1 PRO 14 HB3 -0.12 0.12 0.05 -0.04 2.02 2.04 1prtG1 PRO 14 HG2 -0.17 -0.19 0.03 -0.04 2.03 1.66 1prtG1 PRO 14 HG3 -0.10 0.08 0.05 -0.04 2.03 2.02 1prtG1 PRO 14 HD2 -0.17 0.04 0.23 -0.04 3.68 3.74 1prtG1 PRO 14 HD3 -0.15 0.32 0.19 -0.04 3.65 3.97 1prtG1 PRO 15 HA -0.62 0.05 0.18 -0.51 4.44 3.55 1prtG1 PRO 15 HB2 -0.52 0.03 -0.05 -0.04 2.28 1.70 1prtG1 PRO 15 HB3 -1.36 0.05 -0.08 -0.04 2.02 0.59 1prtG1 PRO 15 HG2 -0.61 0.06 -0.07 -0.04 2.03 1.37 1prtG1 PRO 15 HG3 -0.49 0.06 -0.08 -0.04 2.03 1.48 1prtG1 PRO 15 HD2 -0.27 0.10 0.09 -0.04 3.68 3.56 1prtG1 PRO 15 HD3 -0.52 0.21 0.13 -0.04 3.65 3.43 1prtG1 GLU 16 H -0.22 0.12 -0.29 -0.55 8.60 7.66 1prtG1 GLU 16 HA -0.07 0.07 0.29 -0.75 4.29 3.82 1prtG1 GLU 16 HB2 -0.06 0.06 -0.06 -0.04 2.09 1.99 1prtG1 GLU 16 HB3 -0.06 0.02 0.05 -0.04 1.99 1.95 1prtG1 GLU 16 HG2 -0.13 -0.08 -0.03 -0.04 2.34 2.05 1prtG1 GLU 16 HG3 -0.07 0.06 -0.01 -0.04 2.34 2.28 1prtG1 ASP 17 H -0.14 0.17 -0.08 -0.55 8.40 7.80 1prtG1 ASP 17 HA -0.07 0.14 0.67 -0.75 4.63 4.62 1prtG1 ASP 17 HB2 -0.09 0.06 0.04 -0.04 2.71 2.67 1prtG1 ASP 17 HB3 -0.08 -0.02 0.06 -0.04 2.70 2.61 1prtG1 VAL 18 H -0.24 0.35 -0.17 -0.55 8.24 7.63 1prtG1 VAL 18 HA -0.39 0.17 0.11 -0.75 4.13 3.26 1prtG1 VAL 18 HB -0.29 -0.08 -0.23 -0.04 2.12 1.48 1prtG1 VAL 18 HG13 -0.85 0.01 -0.24 -0.04 0.97 -0.16 1prtG1 VAL 18 HG23 -0.50 0.09 -0.26 -0.04 0.95 0.24 1prtG1 PHE 19 H -0.03 0.79 -0.24 -0.55 8.34 8.31 1prtG1 PHE 19 HA -0.01 0.05 0.43 -0.75 4.62 4.34 1prtG1 PHE 19 HB2 -0.01 0.22 0.05 -0.04 3.15 3.37 1prtG1 PHE 19 HB3 0.02 -0.12 -0.00 -0.04 3.06 2.92 1prtG1 PHE 19 HD2 0.06 0.01 -0.22 -0.04 7.28 7.09 1prtG1 PHE 19 HE2 0.17 0.00 -0.43 -0.04 7.38 7.09 1prtG1 PHE 19 HZ 0.07 -0.02 -0.43 -0.04 7.32 6.91 1prtG1 GLN 20 H 0.03 0.27 -0.40 -0.55 8.47 7.83 1prtG1 GLN 20 HA 0.04 0.07 0.72 -0.75 4.36 4.43 1prtG1 GLN 20 HB2 -0.02 0.05 0.14 -0.04 2.15 2.28 1prtG1 GLN 20 HB3 0.00 -0.08 0.11 -0.04 2.02 2.01 1prtG1 GLN 20 HG2 0.01 0.70 0.25 -0.04 2.40 3.33 1prtG1 GLN 20 HG3 0.01 -0.11 0.05 -0.04 2.39 2.30 1prtG1 GLN 20 HE21 0.14 -0.10 -0.09 -0.04 6.97 6.89 1prtG1 GLN 20 HE22 0.12 0.19 0.00 -0.04 7.69 7.97 1prtG1 ASN 21 H -0.07 0.52 -0.06 -0.55 8.53 8.38 1prtG1 ASN 21 HA -0.05 0.08 0.68 -0.75 4.76 4.71 1prtG1 ASN 21 HB2 -0.07 -0.01 0.16 -0.04 2.88 2.91 1prtG1 ASN 21 HB3 -0.04 0.01 0.00 -0.04 2.79 2.71 1prtG1 ASN 21 HD21 -0.07 -0.12 -0.03 -0.04 7.03 6.77 1prtG1 ASN 21 HD22 -0.09 0.03 -0.05 -0.04 7.74 7.60 1prtG1 GLY 22 H -0.10 0.16 -0.00 -0.55 8.43 7.94 1prtG1 GLY 22 HA2 -0.37 0.02 0.25 -0.51 4.01 3.40 1prtG1 GLY 22 HA3 -0.10 0.11 0.45 -0.51 4.01 3.97 1prtG1 PHE 23 H 0.10 0.64 0.33 -0.55 8.34 8.86 1prtG1 PHE 23 HA -0.08 0.20 0.85 -0.75 4.62 4.83 1prtG1 PHE 23 HB2 -0.08 -0.09 -0.07 -0.04 3.15 2.87 1prtG1 PHE 23 HB3 -0.11 0.03 -0.00 -0.04 3.06 2.94 1prtG1 PHE 23 HD2 -0.09 0.04 -0.06 -0.04 7.28 7.13 1prtG1 PHE 23 HE2 -0.20 -0.04 -0.14 -0.04 7.38 6.96 1prtG1 PHE 23 HZ -0.71 -0.04 -0.15 -0.04 7.32 6.38 1prtG1 THR 24 H 0.06 0.29 0.11 -0.55 8.28 8.18 1prtG1 THR 24 HA -0.02 0.06 0.79 -0.75 4.39 4.47 1prtG1 THR 24 HB 0.01 0.01 0.02 -0.04 4.32 4.32 1prtG1 THR 24 HG23 -0.02 0.04 0.05 -0.04 1.22 1.25 1prtG1 ALA 25 H -0.07 0.39 -0.09 -0.55 8.40 8.09 1prtG1 ALA 25 HA -0.11 0.02 0.32 -0.75 4.34 3.81 1prtG1 ALA 25 HB3 -0.08 0.05 0.12 -0.04 1.41 1.46 1prtG1 TRP 26 H 0.05 0.14 0.18 -0.55 7.97 7.79 1prtG1 TRP 26 HA 0.01 0.10 0.39 -0.75 4.62 4.37 1prtG1 TRP 26 HB2 0.04 -0.11 -0.02 -0.04 3.23 3.09 1prtG1 TRP 26 HB3 0.02 0.17 -0.32 -0.04 3.23 3.06 1prtG1 TRP 26 HD1 0.02 0.06 0.04 -0.04 7.22 7.30 1prtG1 TRP 26 HE1 0.03 0.05 0.05 -0.04 10.20 10.29 1prtG1 TRP 26 HE3 0.03 -0.07 0.14 -0.04 7.59 7.65 1prtG1 TRP 26 HZ2 0.03 0.15 -0.07 -0.04 7.44 7.51 1prtG1 TRP 26 HZ3 -0.00 -0.18 0.16 -0.04 7.13 7.06 1prtG1 TRP 26 HH2 0.01 -0.00 -0.08 -0.04 7.19 7.07 1prtG1 GLY 27 H 0.16 0.25 -0.55 -0.55 8.43 7.75 1prtG1 GLY 27 HA2 0.07 0.15 0.41 -0.51 4.01 4.13 1prtG1 GLY 27 HA3 0.10 -0.10 0.38 -0.51 4.01 3.88 1prtG1 ASN 28 H 0.05 0.07 0.14 -0.55 8.53 8.25 1prtG1 ASN 28 HA 0.00 0.26 0.91 -0.75 4.76 5.18 1prtG1 ASN 28 HB2 0.03 -0.00 0.09 -0.04 2.88 2.96 1prtG1 ASN 28 HB3 0.03 -0.05 0.04 -0.04 2.79 2.77 1prtG1 ASN 28 HD21 0.01 0.03 -0.01 -0.04 7.03 7.02 1prtG1 ASN 28 HD22 0.03 -0.05 0.09 -0.04 7.74 7.77 1prtG1 ASN 29 H 0.06 0.25 -0.01 -0.55 8.53 8.28 1prtG1 ASN 29 HA 0.06 0.02 0.40 -0.75 4.76 4.50 1prtG1 ASN 29 HB2 0.08 0.07 0.03 -0.04 2.88 3.02 1prtG1 ASN 29 HB3 0.12 -0.01 -0.19 -0.04 2.79 2.67 1prtG1 ASN 29 HD21 0.07 -0.04 -0.04 -0.04 7.03 6.98 1prtG1 ASN 29 HD22 0.07 0.11 -0.04 -0.04 7.74 7.84 1prtG1 ASP 30 H 0.06 0.28 0.33 -0.55 8.40 8.52 1prtG1 ASP 30 HA 0.01 0.10 0.68 -0.75 4.63 4.66 1prtG1 ASP 30 HB2 -0.01 0.00 0.18 -0.04 2.71 2.85 1prtG1 ASP 30 HB3 -0.08 0.15 0.12 -0.04 2.70 2.85 1prtG1 ASN 31 H 0.15 0.05 -0.50 -0.55 8.53 7.68 1prtG1 ASN 31 HA 0.12 0.11 0.44 -0.75 4.76 4.68 1prtG1 ASN 31 HB2 0.08 0.09 0.04 -0.04 2.88 3.05 1prtG1 ASN 31 HB3 0.09 -0.05 0.08 -0.04 2.79 2.87 1prtG1 ASN 31 HD21 0.09 0.04 -0.09 -0.04 7.03 7.03 1prtG1 ASN 31 HD22 0.07 0.02 -0.02 -0.04 7.74 7.76 1prtG1 VAL 32 H 0.12 0.29 0.15 -0.55 8.24 8.25 1prtG1 VAL 32 HA -0.06 0.05 0.19 -0.75 4.13 3.55 1prtG1 VAL 32 HB -0.07 -0.00 0.02 -0.04 2.12 2.03 1prtG1 VAL 32 HG13 -0.12 0.01 -0.24 -0.04 0.97 0.57 1prtG1 VAL 32 HG23 0.09 0.07 -0.08 -0.04 0.95 0.99 1prtG1 LEU 33 H -0.28 0.13 -0.29 -0.55 8.37 7.39 1prtG1 LEU 33 HA -0.20 0.10 0.30 -0.75 4.35 3.80 1prtG1 LEU 33 HB2 -1.02 0.03 0.04 -0.04 1.64 0.65 1prtG1 LEU 33 HB3 -0.21 0.01 -0.03 -0.04 1.64 1.37 1prtG1 LEU 33 HG -0.55 0.00 -0.05 -0.04 1.64 1.01 1prtG1 LEU 33 HD13 0.01 0.03 0.01 -0.04 0.93 0.94 1prtG1 LEU 33 HD23 0.01 -0.04 -0.08 -0.04 0.89 0.74 1prtG1 GLU 34 H -0.02 0.16 -0.13 -0.55 8.60 8.06 1prtG1 GLU 34 HA 0.03 0.05 0.27 -0.75 4.29 3.88 1prtG1 GLU 34 HB2 0.09 0.15 0.07 -0.04 2.09 2.36 1prtG1 GLU 34 HB3 0.07 -0.03 -0.00 -0.04 1.99 1.99 1prtG1 GLU 34 HG2 0.04 0.03 -0.02 -0.04 2.34 2.35 1prtG1 GLU 34 HG3 0.03 -0.04 0.03 -0.04 2.34 2.32 1prtG1 HIS 35 H 0.13 0.43 -0.53 -0.55 8.41 7.89 1prtG1 HIS 35 HA 0.06 -0.03 0.26 -0.75 4.63 4.16 1prtG1 HIS 35 HB2 0.12 0.03 -0.12 -0.04 3.26 3.26 1prtG1 HIS 35 HB3 -0.07 0.13 0.01 -0.04 3.20 3.23 1prtG1 HIS 35 HD2 -0.14 0.01 -0.27 -0.04 6.97 6.54 1prtG1 HIS 35 HE1 -0.02 0.07 -0.22 -0.04 7.75 7.53 1prtG1 LEU 36 H 0.08 0.62 0.07 -0.55 8.37 8.60 1prtG1 LEU 36 HA 0.01 -0.02 0.34 -0.75 4.35 3.93 1prtG1 LEU 36 HB2 -0.00 0.11 0.14 -0.04 1.64 1.84 1prtG1 LEU 36 HB3 -0.06 -0.02 0.02 -0.04 1.64 1.55 1prtG1 LEU 36 HG -0.04 -0.06 0.04 -0.04 1.64 1.54 1prtG1 LEU 36 HD13 -0.02 0.03 0.04 -0.04 0.93 0.94 1prtG1 LEU 36 HD23 -0.05 0.02 -0.08 -0.04 0.89 0.73 1prtG1 THR 37 H -0.00 0.49 -0.61 -0.55 8.28 7.62 1prtG1 THR 37 HA 0.02 0.05 0.77 -0.75 4.39 4.47 1prtG1 THR 37 HB 0.02 0.00 -0.05 -0.04 4.32 4.25 1prtG1 THR 37 HG23 0.03 0.00 -0.09 -0.04 1.22 1.12 1prtG1 GLY 38 H -0.05 0.71 -0.19 -0.55 8.43 8.35 1prtG1 GLY 38 HA2 -0.06 -0.03 0.37 -0.51 4.01 3.78 1prtG1 GLY 38 HA3 -0.02 0.05 0.54 -0.51 4.01 4.06 1prtG1 ARG 39 H 0.03 0.28 -0.22 -0.55 8.46 7.99 1prtG1 ARG 39 HA 0.04 0.10 0.44 -0.75 4.34 4.17 1prtG1 ARG 39 HB2 0.06 0.03 0.05 -0.04 1.90 2.00 1prtG1 ARG 39 HB3 0.05 -0.09 0.12 -0.04 1.80 1.85 1prtG1 ARG 39 HG2 0.05 0.00 -0.17 -0.04 1.67 1.52 1prtG1 ARG 39 HG3 0.05 0.03 0.06 -0.04 1.67 1.77 1prtG1 ARG 39 HD2 0.06 0.05 -0.05 -0.04 3.22 3.23 1prtG1 ARG 39 HD3 0.05 -0.09 -0.11 -0.04 3.22 3.03 1prtG1 SER 40 H 0.07 0.32 -0.27 -0.55 8.46 8.04 1prtG1 SER 40 HA 0.10 0.47 0.62 -0.75 4.49 4.92 1prtG1 SER 40 HB2 0.19 -0.11 0.14 -0.04 3.95 4.13 1prtG1 SER 40 HB3 0.13 -0.03 -0.04 -0.04 3.93 3.94 1prtG1 CYS 41 H 0.10 0.15 -0.83 -0.55 8.50 7.38 1prtG1 CYS 41 HA 0.73 0.12 0.71 -0.75 4.58 5.39 1prtG1 CYS 41 HB2 0.07 -0.01 -0.10 -0.04 2.97 2.88 1prtG1 CYS 41 HB3 0.28 0.08 -0.19 -0.04 2.97 3.10 1prtG1 GLN 42 H 0.06 0.04 -0.21 -0.55 8.47 7.81 1prtG1 GLN 42 HA 0.00 -0.00 0.31 -0.75 4.36 3.92 1prtG1 GLN 42 HB2 0.01 0.04 0.19 -0.04 2.15 2.36 1prtG1 GLN 42 HB3 -0.00 0.04 -0.07 -0.04 2.02 1.96 1prtG1 GLN 42 HG2 -0.02 0.11 -0.12 -0.04 2.40 2.33 1prtG1 GLN 42 HG3 -0.03 -0.06 0.04 -0.04 2.39 2.31 1prtG1 GLN 42 HE21 0.05 -0.04 -0.01 -0.04 6.97 6.92 1prtG1 GLN 42 HE22 -0.01 0.01 -0.02 -0.04 7.69 7.63 1prtG1 VAL 43 H -0.04 0.11 0.12 -0.55 8.24 7.88 1prtG1 VAL 43 HA -0.12 0.07 0.47 -0.75 4.13 3.80 1prtG1 VAL 43 HB -0.04 -0.01 0.20 -0.04 2.12 2.23 1prtG1 VAL 43 HG13 -0.05 0.01 -0.03 -0.04 0.97 0.85 1prtG1 VAL 43 HG23 -0.03 0.01 0.12 -0.04 0.95 1.01 1prtG1 GLY 44 H -0.18 0.13 0.29 -0.55 8.43 8.12 1prtG1 GLY 44 HA2 -0.11 0.02 0.33 -0.51 4.01 3.74 1prtG1 GLY 44 HA3 -0.06 0.16 0.67 -0.51 4.01 4.27 1prtG1 SER 45 H -0.12 0.23 0.08 -0.55 8.46 8.10 1prtG1 SER 45 HA -0.02 0.07 0.38 -0.75 4.49 4.16 1prtG1 SER 45 HB2 -0.01 0.08 -0.20 -0.04 3.95 3.78 1prtG1 SER 45 HB3 -0.00 0.02 -0.12 -0.04 3.93 3.79 1prtG1 SER 46 H -0.19 -0.05 0.09 -0.55 8.46 7.76 1prtG1 SER 46 HA 0.06 0.19 0.26 -0.75 4.49 4.25 1prtG1 SER 46 HB2 -0.77 0.01 0.21 -0.04 3.95 3.36 1prtG1 SER 46 HB3 -1.92 0.06 0.06 -0.04 3.93 2.08 1prtG1 ASN 47 H 0.24 0.41 0.41 -0.55 8.53 9.05 1prtG1 ASN 47 HA 0.21 0.21 0.35 -0.75 4.76 4.79 1prtG1 ASN 47 HB2 0.08 -0.28 0.09 -0.04 2.88 2.74 1prtG1 ASN 47 HB3 0.05 0.16 -0.25 -0.04 2.79 2.72 1prtG1 ASN 47 HD21 0.04 0.01 -0.11 -0.04 7.03 6.93 1prtG1 ASN 47 HD22 0.03 0.02 -0.29 -0.04 7.74 7.46 1prtG1 SER 48 H 0.36 0.37 0.27 -0.55 8.46 8.92 1prtG1 SER 48 HA 0.21 0.24 0.40 -0.75 4.49 4.59 1prtG1 SER 48 HB2 0.34 -0.10 0.02 -0.04 3.95 4.18 1prtG1 SER 48 HB3 0.29 0.06 0.13 -0.04 3.93 4.37 1prtG1 ALA 49 H -0.01 0.47 -0.21 -0.55 8.40 8.10 1prtG1 ALA 49 HA -0.10 0.30 0.58 -0.75 4.34 4.36 1prtG1 ALA 49 HB3 -0.19 -0.06 -0.00 -0.04 1.41 1.12 1prtG1 PHE 50 H 0.02 0.53 -0.59 -0.55 8.34 7.75 1prtG1 PHE 50 HA -0.14 0.30 0.65 -0.75 4.62 4.68 1prtG1 PHE 50 HB2 -0.23 -0.10 -0.22 -0.04 3.15 2.57 1prtG1 PHE 50 HB3 -0.32 -0.02 -0.23 -0.04 3.06 2.45 1prtG1 PHE 50 HD2 -0.19 -0.06 -0.39 -0.04 7.28 6.60 1prtG1 PHE 50 HE2 -0.44 0.03 -0.16 -0.04 7.38 6.77 1prtG1 PHE 50 HZ -1.21 0.03 -0.02 -0.04 7.32 6.08 1prtG1 VAL 51 H -0.01 0.50 0.13 -0.55 8.24 8.31 1prtG1 VAL 51 HA -0.13 0.16 0.80 -0.75 4.13 4.21 1prtG1 VAL 51 HB -0.13 -0.06 -0.01 -0.04 2.12 1.89 1prtG1 VAL 51 HG13 -0.20 0.05 -0.18 -0.04 0.97 0.60 1prtG1 VAL 51 HG23 -0.08 0.05 -0.49 -0.04 0.95 0.40 1prtG1 SER 52 H -0.09 0.17 -0.00 -0.55 8.46 7.99 1prtG1 SER 52 HA 0.03 0.08 0.55 -0.75 4.49 4.40 1prtG1 SER 52 HB2 -0.00 -0.06 -0.06 -0.04 3.95 3.79 1prtG1 SER 52 HB3 -0.06 0.10 0.04 -0.04 3.93 3.97 1prtG1 THR 53 H 0.08 0.47 0.47 -0.55 8.28 8.74 1prtG1 THR 53 HA 0.06 0.20 0.65 -0.75 4.39 4.55 1prtG1 THR 53 HB 0.12 0.05 0.00 -0.04 4.32 4.45 1prtG1 THR 53 HG23 0.07 0.05 -0.32 -0.04 1.22 0.98 1prtG1 SER 54 H 0.17 0.63 0.39 -0.55 8.46 9.10 1prtG1 SER 54 HA 0.19 0.36 1.09 -0.75 4.49 5.38 1prtG1 SER 54 HB2 0.21 0.06 -0.12 -0.04 3.95 4.06 1prtG1 SER 54 HB3 0.26 -0.05 0.06 -0.04 3.93 4.15 1prtG1 SER 55 H 0.21 0.80 0.36 -0.55 8.46 9.29 1prtG1 SER 55 HA 0.07 0.13 0.68 -0.75 4.49 4.62 1prtG1 SER 55 HB2 -0.04 0.02 0.28 -0.04 3.95 4.17 1prtG1 SER 55 HB3 -0.27 -0.01 0.14 -0.04 3.93 3.75 1prtG1 SER 56 H 0.18 0.10 -0.66 -0.55 8.46 7.53 1prtG1 SER 56 HA 0.04 0.23 1.05 -0.75 4.49 5.06 1prtG1 SER 56 HB2 0.03 0.13 -0.09 -0.04 3.95 3.97 1prtG1 SER 56 HB3 0.06 0.07 0.05 -0.04 3.93 4.07 1prtG1 ARG 57 H -0.34 0.29 0.05 -0.55 8.46 7.91 1prtG1 ARG 57 HA -0.64 0.07 0.26 -0.75 4.34 3.27 1prtG1 ARG 57 HB2 -1.46 0.09 0.05 -0.04 1.90 0.54 1prtG1 ARG 57 HB3 -0.38 -0.02 0.06 -0.04 1.80 1.43 1prtG1 ARG 57 HG2 -0.22 -0.03 -0.21 -0.04 1.67 1.17 1prtG1 ARG 57 HG3 -0.47 0.01 -0.05 -0.04 1.67 1.13 1prtG1 ARG 57 HD2 -0.15 0.04 -0.06 -0.04 3.22 3.00 1prtG1 ARG 57 HD3 -0.13 0.01 -0.07 -0.04 3.22 2.98 1prtG1 ARG 58 H -0.11 0.12 -0.16 -0.55 8.46 7.76 1prtG1 ARG 58 HA -0.05 0.07 0.30 -0.75 4.34 3.91 1prtG1 ARG 58 HB2 -0.03 0.02 0.08 -0.04 1.90 1.92 1prtG1 ARG 58 HB3 -0.00 -0.01 0.02 -0.04 1.80 1.76 1prtG1 ARG 58 HG2 -0.00 0.04 -0.03 -0.04 1.67 1.63 1prtG1 ARG 58 HG3 0.01 0.02 -0.16 -0.04 1.67 1.50 1prtG1 ARG 58 HD2 -0.02 -0.04 0.03 -0.04 3.22 3.15 1prtG1 ARG 58 HD3 -0.02 -0.00 0.00 -0.04 3.22 3.16 1prtG1 TYR 59 H 0.09 0.12 -0.40 -0.55 8.29 7.55 1prtG1 TYR 59 HA -0.07 0.04 0.25 -0.75 4.56 4.02 1prtG1 TYR 59 HB2 -0.09 -0.02 0.07 -0.04 3.06 2.97 1prtG1 TYR 59 HB3 -0.03 0.12 0.14 -0.04 2.98 3.16 1prtG1 TYR 59 HD2 -0.14 -0.02 -0.02 -0.04 7.15 6.93 1prtG1 TYR 59 HE2 -0.27 -0.02 -0.02 -0.04 6.85 6.49 1prtG1 THR 60 H 0.08 0.39 -0.07 -0.55 8.28 8.13 1prtG1 THR 60 HA -0.04 -0.00 0.33 -0.75 4.39 3.92 1prtG1 THR 60 HB 0.18 -0.01 -0.04 -0.04 4.32 4.41 1prtG1 THR 60 HG23 0.24 -0.02 -0.09 -0.04 1.22 1.31 1prtG1 GLU 61 H -0.03 0.73 -0.21 -0.55 8.60 8.54 1prtG1 GLU 61 HA 0.02 -0.04 0.20 -0.75 4.29 3.71 1prtG1 GLU 61 HB2 -0.04 0.15 0.12 -0.04 2.09 2.28 1prtG1 GLU 61 HB3 -0.02 -0.05 -0.05 -0.04 1.99 1.83 1prtG1 GLU 61 HG2 0.00 -0.04 -0.04 -0.04 2.34 2.21 1prtG1 GLU 61 HG3 -0.05 0.07 -0.13 -0.04 2.34 2.18 1prtG1 VAL 62 H -0.07 0.60 -0.14 -0.55 8.24 8.08 1prtG1 VAL 62 HA -0.03 0.01 0.47 -0.75 4.13 3.82 1prtG1 VAL 62 HB -0.07 0.10 0.06 -0.04 2.12 2.17 1prtG1 VAL 62 HG13 0.13 -0.02 -0.06 -0.04 0.97 0.98 1prtG1 VAL 62 HG23 -0.00 0.12 -0.01 -0.04 0.95 1.02 1prtG1 TYR 63 H -0.13 0.53 -0.06 -0.55 8.29 8.07 1prtG1 TYR 63 HA -0.21 0.07 0.39 -0.75 4.56 4.05 1prtG1 TYR 63 HB2 -0.50 -0.01 0.06 -0.04 3.06 2.57 1prtG1 TYR 63 HB3 -0.38 0.06 0.18 -0.04 2.98 2.80 1prtG1 TYR 63 HD2 -0.35 -0.00 -0.02 -0.04 7.15 6.74 1prtG1 TYR 63 HE2 -0.06 0.08 -0.07 -0.04 6.85 6.76 1prtG1 LEU 64 H -0.18 0.63 -0.07 -0.55 8.37 8.20 1prtG1 LEU 64 HA -0.51 0.01 0.27 -0.75 4.35 3.36 1prtG1 LEU 64 HB2 0.08 0.08 0.06 -0.04 1.64 1.83 1prtG1 LEU 64 HB3 0.01 0.15 0.11 -0.04 1.64 1.87 1prtG1 LEU 64 HG 0.63 -0.04 -0.02 -0.04 1.64 2.17 1prtG1 LEU 64 HD13 0.32 0.00 -0.20 -0.04 0.93 1.00 1prtG1 LEU 64 HD23 0.26 -0.01 -0.24 -0.04 0.89 0.86 1prtG1 GLU 65 H -0.13 0.61 -0.14 -0.55 8.60 8.39 1prtG1 GLU 65 HA -0.22 -0.06 0.29 -0.75 4.29 3.54 1prtG1 GLU 65 HB2 -0.13 0.11 0.15 -0.04 2.09 2.18 1prtG1 GLU 65 HB3 -0.21 0.17 0.16 -0.04 1.99 2.08 1prtG1 GLU 65 HG2 -0.44 -0.01 -0.12 -0.04 2.34 1.74 1prtG1 GLU 65 HG3 -0.21 -0.05 0.03 -0.04 2.34 2.06 1prtG1 HIS 66 H -0.15 0.55 -0.39 -0.55 8.41 7.87 1prtG1 HIS 66 HA -0.21 -0.01 0.66 -0.75 4.63 4.32 1prtG1 HIS 66 HB2 -0.17 0.17 0.18 -0.04 3.26 3.40 1prtG1 HIS 66 HB3 -0.14 0.04 0.07 -0.04 3.20 3.12 1prtG1 HIS 66 HD2 -0.09 -0.01 -0.03 -0.04 6.97 6.79 1prtG1 HIS 66 HE1 -0.04 -0.06 -0.05 -0.04 7.75 7.55 1prtG1 ARG 67 H -0.46 0.57 0.05 -0.55 8.46 8.06 1prtG1 ARG 67 HA -0.34 0.04 0.41 -0.75 4.34 3.70 1prtG1 ARG 67 HB2 -0.62 0.11 0.20 -0.04 1.90 1.55 1prtG1 ARG 67 HB3 -0.33 -0.06 -0.01 -0.04 1.80 1.36 1prtG1 ARG 67 HG2 -1.40 0.15 -0.15 -0.04 1.67 0.23 1prtG1 ARG 67 HG3 -0.98 -0.05 -0.07 -0.04 1.67 0.54 1prtG1 ARG 67 HD2 -0.38 0.02 -0.03 -0.04 3.22 2.79 1prtG1 ARG 67 HD3 -0.60 -0.01 -0.04 -0.04 3.22 2.52 1prtG1 MET 68 H -0.78 0.66 -0.16 -0.55 8.47 7.64 1prtG1 MET 68 HA -1.15 -0.02 0.35 -0.75 4.52 2.95 1prtG1 MET 68 HB2 -0.83 -0.03 -0.03 -0.04 2.15 1.22 1prtG1 MET 68 HB3 -0.50 0.21 0.07 -0.04 2.03 1.77 1prtG1 MET 68 HG2 -0.49 -0.03 -0.39 -0.04 2.63 1.68 1prtG1 MET 68 HG3 -0.18 -0.08 -0.08 -0.04 2.56 2.18 1prtG1 MET 68 HE3 0.03 -0.01 -0.16 -0.04 2.10 1.92 1prtG1 GLN 69 H -0.38 0.49 -0.09 -0.55 8.47 7.95 1prtG1 GLN 69 HA -0.24 -0.06 0.31 -0.75 4.36 3.62 1prtG1 GLN 69 HB2 -0.25 0.13 0.23 -0.04 2.15 2.22 1prtG1 GLN 69 HB3 -0.12 0.01 -0.04 -0.04 2.02 1.83 1prtG1 GLN 69 HG2 -0.25 -0.01 0.06 -0.04 2.40 2.16 1prtG1 GLN 69 HG3 -0.19 -0.01 0.03 -0.04 2.39 2.18 1prtG1 GLN 69 HE21 -0.08 -0.01 0.01 -0.04 6.97 6.85 1prtG1 GLN 69 HE22 -0.13 0.02 0.01 -0.04 7.69 7.54 1prtG1 GLU 70 H -0.22 0.45 -0.66 -0.55 8.60 7.63 1prtG1 GLU 70 HA -0.07 -0.00 0.46 -0.75 4.29 3.92 1prtG1 GLU 70 HB2 -0.14 0.31 0.19 -0.04 2.09 2.41 1prtG1 GLU 70 HB3 -0.06 -0.08 -0.02 -0.04 1.99 1.79 1prtG1 GLU 70 HG2 -0.05 -0.09 0.02 -0.04 2.34 2.18 1prtG1 GLU 70 HG3 -0.07 0.09 0.02 -0.04 2.34 2.34 1prtG1 ALA 71 H -0.15 0.51 -0.03 -0.55 8.40 8.19 1prtG1 ALA 71 HA -0.01 -0.01 0.30 -0.75 4.34 3.86 1prtG1 ALA 71 HB3 0.00 0.01 -0.01 -0.04 1.41 1.36 1prtG1 VAL 72 H -0.10 0.39 -0.26 -0.55 8.24 7.72 1prtG1 VAL 72 HA -0.04 -0.04 0.34 -0.75 4.13 3.64 1prtG1 VAL 72 HB -0.09 0.19 0.14 -0.04 2.12 2.32 1prtG1 VAL 72 HG13 -0.03 -0.00 -0.06 -0.04 0.97 0.84 1prtG1 VAL 72 HG23 -0.10 0.01 -0.00 -0.04 0.95 0.82 1prtG1 GLU 73 H -0.06 0.52 -0.10 -0.55 8.60 8.41 1prtG1 GLU 73 HA -0.03 -0.03 0.30 -0.75 4.29 3.78 1prtG1 GLU 73 HB2 -0.03 0.14 0.08 -0.04 2.09 2.23 1prtG1 GLU 73 HB3 -0.02 -0.07 0.06 -0.04 1.99 1.91 1prtG1 GLU 73 HG2 -0.03 -0.07 0.04 -0.04 2.34 2.23 1prtG1 GLU 73 HG3 -0.05 0.13 0.15 -0.04 2.34 2.53 1prtG1 ALA 74 H -0.03 0.57 -0.39 -0.55 8.40 8.00 1prtG1 ALA 74 HA -0.01 0.00 0.45 -0.75 4.34 4.03 1prtG1 ALA 74 HB3 -0.00 0.03 -0.02 -0.04 1.41 1.37 1prtG1 GLU 75 H -0.02 0.74 -0.03 -0.55 8.60 8.74 1prtG1 GLU 75 HA -0.01 0.05 0.41 -0.75 4.29 3.99 1prtG1 GLU 75 HB2 -0.03 -0.23 -0.30 -0.04 2.09 1.49 1prtG1 GLU 75 HB3 -0.04 0.12 0.10 -0.04 1.99 2.13 1prtG1 GLU 75 HG2 -0.02 0.12 -0.04 -0.04 2.34 2.37 1prtG1 GLU 75 HG3 -0.06 0.09 -0.38 -0.04 2.34 1.95 1prtG1 ARG 76 H -0.02 0.58 -0.05 -0.55 8.46 8.41 1prtG1 ARG 76 HA -0.01 0.01 0.26 -0.75 4.34 3.84 1prtG1 ARG 76 HB2 -0.02 0.06 0.08 -0.04 1.90 1.99 1prtG1 ARG 76 HB3 -0.01 -0.04 -0.00 -0.04 1.80 1.71 1prtG1 ARG 76 HG2 -0.02 -0.02 -0.01 -0.04 1.67 1.58 1prtG1 ARG 76 HG3 -0.02 0.10 -0.06 -0.04 1.67 1.65 1prtG1 ARG 76 HD2 -0.02 -0.01 -0.04 -0.04 3.22 3.11 1prtG1 ARG 76 HD3 -0.02 -0.02 -0.05 -0.04 3.22 3.09 1prtG1 ALA 77 H -0.01 0.36 -0.39 -0.55 8.40 7.81 1prtG1 ALA 77 HA -0.00 0.03 0.56 -0.75 4.34 4.17 1prtG1 ALA 77 HB3 -0.00 -0.01 0.12 -0.04 1.41 1.47 1prtG1 GLY 78 H -0.00 0.29 -0.23 -0.55 8.43 7.93 1prtG1 GLY 78 HA2 0.00 0.10 0.35 -0.51 4.01 3.96 1prtG1 GLY 78 HA3 0.00 0.12 0.83 -0.51 4.01 4.46 1prtG1 ARG 79 H 0.00 0.46 0.14 -0.55 8.46 8.52 1prtG1 ARG 79 HA 0.01 0.16 0.68 -0.75 4.34 4.43 1prtG1 ARG 79 HB2 0.01 -0.03 0.07 -0.04 1.90 1.91 1prtG1 ARG 79 HB3 0.01 -0.03 0.15 -0.04 1.80 1.90 1prtG1 ARG 79 HG2 0.00 0.01 -0.08 -0.04 1.67 1.56 1prtG1 ARG 79 HG3 0.00 -0.03 -0.00 -0.04 1.67 1.60 1prtG1 ARG 79 HD2 0.01 -0.03 -0.04 -0.04 3.22 3.11 1prtG1 ARG 79 HD3 0.01 0.07 -0.30 -0.04 3.22 2.96 1prtG1 GLY 80 H 0.01 0.26 -0.42 -0.55 8.43 7.73 1prtG1 GLY 80 HA2 0.03 0.13 0.52 -0.51 4.01 4.18 1prtG1 GLY 80 HA3 0.02 -0.03 0.16 -0.51 4.01 3.65 1prtG1 THR 81 H 0.05 0.16 0.18 -0.55 8.28 8.11 1prtG1 THR 81 HA 0.04 0.20 0.60 -0.75 4.39 4.47 1prtG1 THR 81 HB 0.23 0.01 0.09 -0.04 4.32 4.61 1prtG1 THR 81 HG23 0.08 0.03 0.04 -0.04 1.22 1.32 1prtG1 GLY 82 H 0.01 0.07 -0.05 -0.55 8.43 7.91 1prtG1 GLY 82 HA2 -0.04 0.10 0.05 -0.51 4.01 3.61 1prtG1 GLY 82 HA3 -0.13 0.13 0.55 -0.51 4.01 4.05 1prtG1 HIS 83 H 0.07 0.04 -0.09 -0.55 8.41 7.89 1prtG1 HIS 83 HA -0.02 0.31 1.19 -0.75 4.63 5.35 1prtG1 HIS 83 HB2 0.07 -0.05 0.10 -0.04 3.26 3.34 1prtG1 HIS 83 HB3 0.10 0.07 -0.02 -0.04 3.20 3.31 1prtG1 HIS 83 HD2 0.05 -0.02 -0.06 -0.04 6.97 6.90 1prtG1 HIS 83 HE1 0.07 -0.05 0.02 -0.04 7.75 7.75 1prtG1 PHE 84 H 0.09 0.61 0.42 -0.55 8.34 8.90 1prtG1 PHE 84 HA 0.04 0.22 0.97 -0.75 4.62 5.09 1prtG1 PHE 84 HB2 -0.02 0.03 -0.05 -0.04 3.15 3.07 1prtG1 PHE 84 HB3 -0.03 -0.04 0.09 -0.04 3.06 3.04 1prtG1 PHE 84 HD2 -0.00 0.00 -0.13 -0.04 7.28 7.11 1prtG1 PHE 84 HE2 0.08 0.01 -0.11 -0.04 7.38 7.31 1prtG1 PHE 84 HZ 0.27 -0.04 -0.05 -0.04 7.32 7.46 1prtG1 ILE 85 H -0.90 0.30 0.09 -0.55 8.25 7.20 1prtG1 ILE 85 HA -0.40 0.39 0.85 -0.75 4.18 4.27 1prtG1 ILE 85 HB -0.17 -0.00 0.14 -0.04 1.89 1.82 1prtG1 ILE 85 HG12 0.03 -0.03 -0.07 -0.04 1.49 1.38 1prtG1 ILE 85 HG13 0.12 0.18 -0.16 -0.04 1.21 1.31 1prtG1 ILE 85 HG23 -0.43 -0.01 -0.11 -0.04 0.93 0.34 1prtG1 ILE 85 HD13 0.05 -0.04 -0.25 -0.04 0.88 0.61 1prtG1 GLY 86 H -0.56 0.54 0.34 -0.55 8.43 8.21 1prtG1 GLY 86 HA2 -0.15 0.28 0.97 -0.51 4.01 4.60 1prtG1 GLY 86 HA3 0.04 -0.05 0.36 -0.51 4.01 3.86 1prtG1 TYR 87 H 0.17 0.53 0.35 -0.55 8.29 8.78 1prtG1 TYR 87 HA -0.06 0.29 1.19 -0.75 4.56 5.22 1prtG1 TYR 87 HB2 -0.04 0.06 0.02 -0.04 3.06 3.06 1prtG1 TYR 87 HB3 -0.40 -0.04 0.08 -0.04 2.98 2.57 1prtG1 TYR 87 HD2 -0.21 -0.01 -0.10 -0.04 7.15 6.78 1prtG1 TYR 87 HE2 -0.19 0.03 -0.12 -0.04 6.85 6.53 1prtG1 ILE 88 H 0.03 0.39 0.31 -0.55 8.25 8.43 1prtG1 ILE 88 HA 0.26 0.23 0.93 -0.75 4.18 4.85 1prtG1 ILE 88 HB 0.11 -0.03 0.16 -0.04 1.89 2.09 1prtG1 ILE 88 HG12 0.27 0.02 -0.14 -0.04 1.49 1.60 1prtG1 ILE 88 HG13 0.21 -0.01 -0.24 -0.04 1.21 1.12 1prtG1 ILE 88 HG23 0.24 -0.02 -0.22 -0.04 0.93 0.90 1prtG1 ILE 88 HD13 0.09 -0.00 -0.17 -0.04 0.88 0.76 1prtG1 TYR 89 H 0.49 0.55 0.25 -0.55 8.29 9.03 1prtG1 TYR 89 HA 0.19 0.17 0.88 -0.75 4.56 5.04 1prtG1 TYR 89 HB2 0.21 0.01 0.08 -0.04 3.06 3.32 1prtG1 TYR 89 HB3 0.24 0.04 -0.02 -0.04 2.98 3.20 1prtG1 TYR 89 HD2 0.21 0.12 -0.10 -0.04 7.15 7.34 1prtG1 TYR 89 HE2 -0.24 0.02 -0.20 -0.04 6.85 6.39 1prtG1 GLU 90 H 0.16 0.77 0.38 -0.55 8.60 9.37 1prtG1 GLU 90 HA -0.20 0.14 0.82 -0.75 4.29 4.30 1prtG1 GLU 90 HB2 0.08 0.01 0.02 -0.04 2.09 2.16 1prtG1 GLU 90 HB3 -0.01 -0.23 0.28 -0.04 1.99 1.99 1prtG1 GLU 90 HG2 -0.11 0.02 -0.08 -0.04 2.34 2.13 1prtG1 GLU 90 HG3 -0.22 0.03 0.01 -0.04 2.34 2.12 1prtG1 VAL 91 H -0.25 0.72 0.36 -0.55 8.24 8.52 1prtG1 VAL 91 HA 0.02 0.27 1.16 -0.75 4.13 4.82 1prtG1 VAL 91 HB -0.03 -0.03 -0.10 -0.04 2.12 1.92 1prtG1 VAL 91 HG13 0.09 0.00 -0.39 -0.04 0.97 0.63 1prtG1 VAL 91 HG23 0.18 -0.01 -0.34 -0.04 0.95 0.73 1prtG1 ARG 92 H 0.04 0.62 0.19 -0.55 8.46 8.76 1prtG1 ARG 92 HA -0.13 0.19 0.80 -0.75 4.34 4.46 1prtG1 ARG 92 HB2 0.21 -0.02 0.12 -0.04 1.90 2.16 1prtG1 ARG 92 HB3 0.07 0.01 0.26 -0.04 1.80 2.09 1prtG1 ARG 92 HG2 -0.07 0.00 -0.27 -0.04 1.67 1.29 1prtG1 ARG 92 HG3 -0.03 0.02 0.03 -0.04 1.67 1.65 1prtG1 ARG 92 HD2 -0.05 -0.14 -0.03 -0.04 3.22 2.97 1prtG1 ARG 92 HD3 0.04 -0.03 0.10 -0.04 3.22 3.29 1prtG1 ALA 93 H -0.37 0.87 0.26 -0.55 8.40 8.61 1prtG1 ALA 93 HA -1.79 -0.03 0.43 -0.75 4.34 2.20 1prtG1 ALA 93 HB3 -0.53 -0.01 -0.11 -0.04 1.41 0.73 1prtG1 ASP 94 H -0.04 0.08 0.00 -0.55 8.40 7.89 1prtG1 ASP 94 HA -0.03 0.18 0.58 -0.75 4.63 4.60 1prtG1 ASP 94 HB2 0.05 -0.15 0.17 -0.04 2.71 2.74 1prtG1 ASP 94 HB3 0.02 0.14 -0.09 -0.04 2.70 2.72 1prtG1 ASN 95 H 0.04 0.15 0.14 -0.55 8.53 8.32 1prtG1 ASN 95 HA -0.05 0.17 0.41 -0.75 4.76 4.54 1prtG1 ASN 95 HB2 0.04 -0.02 0.14 -0.04 2.88 3.00 1prtG1 ASN 95 HB3 0.03 0.01 0.11 -0.04 2.79 2.90 1prtG1 ASN 95 HD21 0.02 0.03 0.06 -0.04 7.03 7.10 1prtG1 ASN 95 HD22 0.03 -0.02 0.07 -0.04 7.74 7.78 1prtG1 ASN 96 H 0.12 0.05 -0.31 -0.55 8.53 7.84 1prtG1 ASN 96 HA 0.11 0.12 0.51 -0.75 4.76 4.75 1prtG1 ASN 96 HB2 0.08 -0.04 0.09 -0.04 2.88 2.97 1prtG1 ASN 96 HB3 0.01 0.03 0.06 -0.04 2.79 2.85 1prtG1 ASN 96 HD21 -0.15 0.45 0.24 -0.04 7.03 7.53 1prtG1 ASN 96 HD22 -0.08 -0.02 0.08 -0.04 7.74 7.68 1prtG1 PHE 97 H -0.01 0.32 -0.80 -0.55 8.34 7.29 1prtG1 PHE 97 HA 0.06 0.29 0.89 -0.75 4.62 5.11 1prtG1 PHE 97 HB2 -0.05 0.22 0.16 -0.04 3.15 3.44 1prtG1 PHE 97 HB3 0.09 -0.06 -0.10 -0.04 3.06 2.96 1prtG1 PHE 97 HD2 0.02 -0.10 -0.24 -0.04 7.28 6.91 1prtG1 PHE 97 HE2 0.00 0.02 -0.15 -0.04 7.38 7.21 1prtG1 PHE 97 HZ 0.02 0.02 -0.17 -0.04 7.32 7.15 1prtG1 TYR 98 H 0.23 0.58 0.27 -0.55 8.29 8.82 1prtG1 TYR 98 HA 0.13 0.32 1.07 -0.75 4.56 5.33 1prtG1 TYR 98 HB2 -0.10 -0.08 0.12 -0.04 3.06 2.96 1prtG1 TYR 98 HB3 0.03 -0.05 0.02 -0.04 2.98 2.93 1prtG1 TYR 98 HD2 0.08 0.21 -0.01 -0.04 7.15 7.39 1prtG1 TYR 98 HE2 0.13 -0.02 0.01 -0.04 6.85 6.93 1prtG1 GLY 99 H -0.06 0.33 0.13 -0.55 8.43 8.28 1prtG1 GLY 99 HA2 -1.32 0.14 0.52 -0.51 4.01 2.84 1prtG1 GLY 99 HA3 -0.59 0.05 0.35 -0.51 4.01 3.30 1prtG1 ALA 100 H -0.37 0.67 0.29 -0.55 8.40 8.44 1prtG1 ALA 100 HA -0.22 0.03 0.32 -0.75 4.34 3.71 1prtG1 ALA 100 HB3 -0.16 0.01 0.09 -0.04 1.41 1.31 1prtG1 ALA 101 H -0.20 0.24 -0.06 -0.55 8.40 7.83 1prtG1 ALA 101 HA -0.40 0.02 0.32 -0.75 4.34 3.53 1prtG1 ALA 101 HB3 -0.16 0.03 -0.01 -0.04 1.41 1.24 1prtG1 SER 102 H -0.09 0.16 -0.15 -0.55 8.46 7.84 1prtG1 SER 102 HA 0.17 0.02 0.34 -0.75 4.49 4.27 1prtG1 SER 102 HB2 0.02 0.08 0.06 -0.04 3.95 4.07 1prtG1 SER 102 HB3 0.09 0.05 0.03 -0.04 3.93 4.06 1prtG1 SER 103 H -0.06 0.49 -0.23 -0.55 8.46 8.11 1prtG1 SER 103 HA 0.03 0.09 0.49 -0.75 4.49 4.35 1prtG1 SER 103 HB2 -0.10 0.14 0.15 -0.04 3.95 4.10 1prtG1 SER 103 HB3 -0.02 -0.02 0.07 -0.04 3.93 3.92 1prtG1 TYR 104 H -0.08 0.63 -0.07 -0.55 8.29 8.22 1prtG1 TYR 104 HA -0.12 -0.07 0.25 -0.75 4.56 3.86 1prtG1 TYR 104 HB2 -0.24 -0.03 0.01 -0.04 3.06 2.76 1prtG1 TYR 104 HB3 -0.51 0.15 0.19 -0.04 2.98 2.76 1prtG1 TYR 104 HD2 -0.31 0.05 -0.16 -0.04 7.15 6.69 1prtG1 TYR 104 HE2 0.09 -0.02 -0.08 -0.04 6.85 6.80 1prtG1 PHE 105 H -0.27 0.67 0.02 -0.55 8.34 8.22 1prtG1 PHE 105 HA -0.01 -0.06 0.38 -0.75 4.62 4.18 1prtG1 PHE 105 HB2 0.07 0.10 0.13 -0.04 3.15 3.40 1prtG1 PHE 105 HB3 0.05 -0.01 0.01 -0.04 3.06 3.07 1prtG1 PHE 105 HD2 0.16 -0.02 -0.08 -0.04 7.28 7.31 1prtG1 PHE 105 HE2 0.12 -0.03 -0.07 -0.04 7.38 7.36 1prtG1 PHE 105 HZ 0.04 -0.00 -0.06 -0.04 7.32 7.26 1prtG1 GLU 106 H 0.14 0.68 -0.14 -0.55 8.60 8.73 1prtG1 GLU 106 HA 0.09 -0.00 0.28 -0.75 4.29 3.90 1prtG1 GLU 106 HB2 0.08 0.21 0.23 -0.04 2.09 2.57 1prtG1 GLU 106 HB3 0.07 -0.00 0.05 -0.04 1.99 2.07 1prtG1 GLU 106 HG2 0.08 -0.04 0.04 -0.04 2.34 2.38 1prtG1 GLU 106 HG3 0.06 0.02 -0.02 -0.04 2.34 2.35 1prtG1 TYR 107 H 0.12 0.67 -0.03 -0.55 8.29 8.49 1prtG1 TYR 107 HA 0.05 -0.01 0.31 -0.75 4.56 4.15 1prtG1 TYR 107 HB2 -0.12 -0.02 0.10 -0.04 3.06 2.98 1prtG1 TYR 107 HB3 -0.21 0.17 0.14 -0.04 2.98 3.03 1prtG1 TYR 107 HD2 -0.26 0.04 -0.27 -0.04 7.15 6.63 1prtG1 TYR 107 HE2 -0.22 0.11 -0.24 -0.04 6.85 6.47 1prtG1 VAL 108 H -0.02 0.65 -0.17 -0.55 8.24 8.14 1prtG1 VAL 108 HA 0.03 0.02 0.48 -0.75 4.13 3.90 1prtG1 VAL 108 HB -0.06 0.13 0.08 -0.04 2.12 2.23 1prtG1 VAL 108 HG13 0.05 -0.01 -0.13 -0.04 0.97 0.83 1prtG1 VAL 108 HG23 -0.43 0.01 -0.05 -0.04 0.95 0.44 1prtG1 ASP 109 H 0.05 0.80 -0.09 -0.55 8.40 8.61 1prtG1 ASP 109 HA 0.01 -0.04 0.47 -0.75 4.63 4.32 1prtG1 ASP 109 HB2 0.05 0.11 0.08 -0.04 2.71 2.90 1prtG1 ASP 109 HB3 0.01 -0.07 0.17 -0.04 2.70 2.78 1prtG1 THR 110 H 0.01 0.06 -0.83 -0.55 8.28 6.98 1prtG1 THR 110 HA -0.13 0.15 0.86 -0.75 4.39 4.51 1prtG1 THR 110 HB 0.20 0.06 0.10 -0.04 4.32 4.64 1prtG1 THR 110 HG23 -0.42 -0.03 -0.04 -0.04 1.22 0.69 1prtG1 TYR 111 H 0.10 0.51 0.21 -0.55 8.29 8.56 1prtG1 TYR 111 HA -0.15 0.18 0.80 -0.75 4.56 4.65 1prtG1 TYR 111 HB2 -0.52 0.06 0.13 -0.04 3.06 2.69 1prtG1 TYR 111 HB3 -0.23 -0.04 0.20 -0.04 2.98 2.87 1prtG1 TYR 111 HD2 -0.31 0.18 0.15 -0.04 7.15 7.13 1prtG1 TYR 111 HE2 -0.15 -0.08 0.06 -0.04 6.85 6.64 1prtG1 GLY 112 H -0.02 0.23 -0.17 -0.55 8.43 7.93 1prtG1 GLY 112 HA2 -0.01 0.01 0.38 -0.51 4.01 3.89 1prtG1 GLY 112 HA3 -0.00 0.15 0.72 -0.51 4.01 4.37 1prtG1 ASP 113 H 0.02 0.17 0.15 -0.55 8.40 8.19 1prtG1 ASP 113 HA 0.05 0.05 0.34 -0.75 4.63 4.31 1prtG1 ASP 113 HB2 0.03 0.00 0.15 -0.04 2.71 2.85 1prtG1 ASP 113 HB3 0.04 0.01 0.05 -0.04 2.70 2.76 1prtG1 ASN 114 H 0.03 0.11 -0.23 -0.55 8.53 7.89 1prtG1 ASN 114 HA 0.05 0.07 0.38 -0.75 4.76 4.51 1prtG1 ASN 114 HB2 0.03 0.03 0.11 -0.04 2.88 3.02 1prtG1 ASN 114 HB3 0.03 -0.05 0.07 -0.04 2.79 2.80 1prtG1 ASN 114 HD21 0.02 0.03 -0.06 -0.04 7.03 6.98 1prtG1 ASN 114 HD22 0.02 -0.01 -0.04 -0.04 7.74 7.67 1prtG1 ALA 115 H 0.07 0.58 -0.46 -0.55 8.40 8.04 1prtG1 ALA 115 HA 0.10 0.10 0.78 -0.75 4.34 4.57 1prtG1 ALA 115 HB3 0.07 0.02 -0.00 -0.04 1.41 1.46 1prtG1 GLY 116 H 0.12 0.30 -0.14 -0.55 8.43 8.16 1prtG1 GLY 116 HA2 0.16 0.11 0.67 -0.51 4.01 4.45 1prtG1 GLY 116 HA3 0.15 -0.05 0.26 -0.51 4.01 3.86 1prtG1 ARG 117 H 0.42 0.15 -0.01 -0.55 8.46 8.47 1prtG1 ARG 117 HA 0.09 0.21 0.70 -0.75 4.34 4.58 1prtG1 ARG 117 HB2 0.09 0.17 -0.28 -0.04 1.90 1.84 1prtG1 ARG 117 HB3 0.06 -0.15 0.07 -0.04 1.80 1.74 1prtG1 ARG 117 HG2 0.04 -0.03 -0.07 -0.04 1.67 1.57 1prtG1 ARG 117 HG3 0.03 -0.21 -0.03 -0.04 1.67 1.41 1prtG1 ARG 117 HD2 0.02 0.03 0.03 -0.04 3.22 3.26 1prtG1 ARG 117 HD3 0.04 -0.05 0.15 -0.04 3.22 3.32 1prtG1 ILE 118 H 0.07 0.30 0.08 -0.55 8.25 8.16 1prtG1 ILE 118 HA 0.08 0.07 0.33 -0.75 4.18 3.92 1prtG1 ILE 118 HB 0.05 0.09 0.13 -0.04 1.89 2.12 1prtG1 ILE 118 HG12 0.04 -0.02 0.07 -0.04 1.49 1.54 1prtG1 ILE 118 HG13 0.02 0.08 0.01 -0.04 1.21 1.28 1prtG1 ILE 118 HG23 -0.01 0.02 0.04 -0.04 0.93 0.93 1prtG1 ILE 118 HD13 -0.05 0.00 -0.21 -0.04 0.88 0.58 1prtG1 LEU 119 H -0.07 0.13 -0.14 -0.55 8.37 7.74 1prtG1 LEU 119 HA -0.23 0.12 0.55 -0.75 4.35 4.04 1prtG1 LEU 119 HB2 -0.16 -0.01 0.08 -0.04 1.64 1.51 1prtG1 LEU 119 HB3 -0.23 0.00 -0.02 -0.04 1.64 1.34 1prtG1 LEU 119 HG -1.24 0.02 0.03 -0.04 1.64 0.41 1prtG1 LEU 119 HD13 -0.30 0.02 -0.03 -0.04 0.93 0.57 1prtG1 LEU 119 HD23 -0.39 0.00 -0.14 -0.04 0.89 0.32 1prtG1 ALA 120 H -0.11 0.43 -0.17 -0.55 8.40 8.01 1prtG1 ALA 120 HA -0.09 0.11 0.46 -0.75 4.34 4.06 1prtG1 ALA 120 HB3 -0.10 0.02 0.00 -0.04 1.41 1.29 1prtG1 GLY 121 H -0.46 0.30 -0.25 -0.55 8.43 7.47 1prtG1 GLY 121 HA2 -0.95 0.07 0.53 -0.51 4.01 3.15 1prtG1 GLY 121 HA3 -0.64 0.09 0.25 -0.51 4.01 3.19 1prtG1 ALA 122 H -0.16 0.34 -0.06 -0.55 8.40 7.97 1prtG1 ALA 122 HA -0.02 0.06 0.40 -0.75 4.34 4.03 1prtG1 ALA 122 HB3 -0.11 0.05 0.16 -0.04 1.41 1.47 1prtG1 LEU 123 H -0.07 0.59 -0.14 -0.55 8.37 8.21 1prtG1 LEU 123 HA 0.03 0.04 0.28 -0.75 4.35 3.95 1prtG1 LEU 123 HB2 0.05 0.22 0.18 -0.04 1.64 2.05 1prtG1 LEU 123 HB3 -0.02 0.06 -0.02 -0.04 1.64 1.62 1prtG1 LEU 123 HG 0.06 0.00 -0.06 -0.04 1.64 1.60 1prtG1 LEU 123 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 1prtG1 LEU 123 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1prtG1 ALA 124 H -0.14 0.39 -0.34 -0.55 8.40 7.76 1prtG1 ALA 124 HA -0.08 -0.01 0.49 -0.75 4.34 3.99 1prtG1 ALA 124 HB3 -0.20 0.01 0.06 -0.04 1.41 1.25 1prtG1 THR 125 H -0.05 0.47 -0.28 -0.55 8.28 7.87 1prtG1 THR 125 HA -0.01 0.01 0.63 -0.75 4.39 4.26 1prtG1 THR 125 HB 0.04 0.18 0.30 -0.04 4.32 4.80 1prtG1 THR 125 HG23 0.06 -0.01 -0.00 -0.04 1.22 1.23 1prtG1 TYR 126 H 0.11 0.65 0.15 -0.55 8.29 8.65 1prtG1 TYR 126 HA -0.08 0.01 0.30 -0.75 4.56 4.03 1prtG1 TYR 126 HB2 -0.02 -0.04 0.07 -0.04 3.06 3.03 1prtG1 TYR 126 HB3 -0.05 -0.01 0.14 -0.04 2.98 3.02 1prtG1 TYR 126 HD2 -0.06 0.01 -0.07 -0.04 7.15 6.98 1prtG1 TYR 126 HE2 0.06 0.07 0.04 -0.04 6.85 6.98 1prtG1 GLN 127 H -0.05 0.34 -0.46 -0.55 8.47 7.75 1prtG1 GLN 127 HA -1.14 0.22 1.00 -0.75 4.36 3.69 1prtG1 GLN 127 HB2 -0.10 -0.04 0.11 -0.04 2.15 2.07 1prtG1 GLN 127 HB3 -0.22 -0.06 0.16 -0.04 2.02 1.86 1prtG1 GLN 127 HG2 -0.17 0.08 -0.06 -0.04 2.40 2.21 1prtG1 GLN 127 HG3 0.19 0.27 0.04 -0.04 2.39 2.85 1prtG1 GLN 127 HE21 0.01 -0.13 0.08 -0.04 6.97 6.88 1prtG1 GLN 127 HE22 -0.01 0.08 0.01 -0.04 7.69 7.72 1prtG1 SER 128 H -0.13 0.70 -0.13 -0.55 8.46 8.36 1prtG1 SER 128 HA 0.01 0.07 0.43 -0.75 4.49 4.25 1prtG1 SER 128 HB2 -0.03 -0.01 -0.16 -0.04 3.95 3.71 1prtG1 SER 128 HB3 0.10 -0.14 0.23 -0.04 3.93 4.07 1prtG1 GLU 129 H -0.06 0.13 -0.25 -0.55 8.60 7.87 1prtG1 GLU 129 HA 0.09 0.37 0.85 -0.75 4.29 4.85 1prtG1 GLU 129 HB2 -0.01 0.01 0.10 -0.04 2.09 2.15 1prtG1 GLU 129 HB3 -0.06 -0.12 0.18 -0.04 1.99 1.95 1prtG1 GLU 129 HG2 -0.05 -0.11 -0.22 -0.04 2.34 1.92 1prtG1 GLU 129 HG3 0.04 0.23 0.20 -0.04 2.34 2.76 1prtG1 TYR 130 H 0.20 0.67 0.34 -0.55 8.29 8.95 1prtG1 TYR 130 HA 0.02 0.08 0.70 -0.75 4.56 4.61 1prtG1 TYR 130 HB2 0.12 -0.03 -0.13 -0.04 3.06 2.98 1prtG1 TYR 130 HB3 0.21 0.02 -0.22 -0.04 2.98 2.94 1prtG1 TYR 130 HD2 0.08 0.03 -0.40 -0.04 7.15 6.82 1prtG1 TYR 130 HE2 0.03 0.05 -0.05 -0.04 6.85 6.85 1prtG1 LEU 131 H 0.01 0.58 0.18 -0.55 8.37 8.60 1prtG1 LEU 131 HA -0.06 0.24 0.95 -0.75 4.35 4.72 1prtG1 LEU 131 HB2 -0.35 0.01 0.14 -0.04 1.64 1.40 1prtG1 LEU 131 HB3 -0.64 -0.01 -0.09 -0.04 1.64 0.86 1prtG1 LEU 131 HG -0.27 -0.10 -0.59 -0.04 1.64 0.63 1prtG1 LEU 131 HD13 -0.43 0.11 -0.09 -0.04 0.93 0.48 1prtG1 LEU 131 HD23 -1.05 -0.01 -0.17 -0.04 0.89 -0.38 1prtG1 ALA 132 H -0.08 0.63 0.16 -0.55 8.40 8.56 1prtG1 ALA 132 HA -0.63 0.33 0.83 -0.75 4.34 4.11 1prtG1 ALA 132 HB3 -0.42 0.02 0.07 -0.04 1.41 1.05 1prtG1 HIS 133 H 0.09 0.54 0.24 -0.55 8.41 8.72 1prtG1 HIS 133 HA -0.43 0.13 0.69 -0.75 4.63 4.26 1prtG1 HIS 133 HB2 -0.21 -0.05 0.15 -0.04 3.26 3.11 1prtG1 HIS 133 HB3 0.03 -0.00 0.27 -0.04 3.20 3.45 1prtG1 HIS 133 HD2 -0.83 0.26 0.19 -0.04 6.97 6.54 1prtG1 HIS 133 HE1 -0.00 -0.03 -0.00 -0.04 7.75 7.67 1prtG1 ARG 134 H -0.34 0.21 -0.21 -0.55 8.46 7.57 1prtG1 ARG 134 HA -0.27 -0.04 0.24 -0.75 4.34 3.52 1prtG1 ARG 134 HB2 -0.86 -0.02 -0.19 -0.04 1.90 0.79 1prtG1 ARG 134 HB3 -0.73 0.19 -0.54 -0.04 1.80 0.68 1prtG1 ARG 134 HG2 -0.19 0.01 -0.29 -0.04 1.67 1.16 1prtG1 ARG 134 HG3 -0.18 0.02 -0.03 -0.04 1.67 1.44 1prtG1 ARG 134 HD2 -0.18 -0.03 -0.06 -0.04 3.22 2.90 1prtG1 ARG 134 HD3 -0.23 0.01 -0.10 -0.04 3.22 2.85 1prtG1 ARG 135 H -0.22 0.76 0.19 -0.55 8.46 8.64 1prtG1 ARG 135 HA -0.07 0.10 0.46 -0.75 4.34 4.09 1prtG1 ARG 135 HB2 -0.09 0.06 -0.02 -0.04 1.90 1.80 1prtG1 ARG 135 HB3 -0.09 -0.03 0.05 -0.04 1.80 1.69 1prtG1 ARG 135 HG2 -0.02 -0.05 -0.13 -0.04 1.67 1.43 1prtG1 ARG 135 HG3 -0.03 0.09 0.01 -0.04 1.67 1.71 1prtG1 ARG 135 HD2 -0.03 0.01 -0.04 -0.04 3.22 3.11 1prtG1 ARG 135 HD3 -0.03 -0.04 -0.05 -0.04 3.22 3.06 1prtG1 ILE 136 H 0.03 0.83 0.13 -0.55 8.25 8.69 1prtG1 ILE 136 HA 0.06 0.08 0.16 -0.75 4.18 3.71 1prtG1 ILE 136 HB -0.05 0.03 0.11 -0.04 1.89 1.93 1prtG1 ILE 136 HG12 0.30 -0.02 -0.19 -0.04 1.49 1.55 1prtG1 ILE 136 HG13 0.37 0.04 -0.07 -0.04 1.21 1.52 1prtG1 ILE 136 HG23 0.22 -0.05 -0.01 -0.04 0.93 1.06 1prtG1 ILE 136 HD13 0.27 -0.02 -0.17 -0.04 0.88 0.93 1prtG1 PRO 137 HA 0.01 0.20 0.51 -0.51 4.44 4.65 1prtG1 PRO 137 HB2 0.01 -0.05 -0.05 -0.04 2.28 2.15 1prtG1 PRO 137 HB3 0.01 0.07 0.04 -0.04 2.02 2.10 1prtG1 PRO 137 HG2 0.07 -0.03 -0.03 -0.04 2.03 2.00 1prtG1 PRO 137 HG3 0.04 0.08 -0.03 -0.04 2.03 2.07 1prtG1 PRO 137 HD2 0.12 0.12 0.05 -0.04 3.68 3.93 1prtG1 PRO 137 HD3 0.03 0.16 -0.08 -0.04 3.65 3.72 1prtG1 PRO 138 HA 0.05 0.07 0.40 -0.51 4.44 4.44 1prtG1 PRO 138 HB2 0.02 0.19 -0.01 -0.04 2.28 2.44 1prtG1 PRO 138 HB3 0.01 -0.07 -0.26 -0.04 2.02 1.66 1prtG1 PRO 138 HG2 -0.00 -0.03 0.02 -0.04 2.03 1.98 1prtG1 PRO 138 HG3 -0.01 0.34 -0.17 -0.04 2.03 2.16 1prtG1 PRO 138 HD2 -0.01 0.09 0.13 -0.04 3.68 3.85 1prtG1 PRO 138 HD3 -0.03 0.11 -0.07 -0.04 3.65 3.62 1prtG1 GLU 139 H 0.01 0.07 -0.39 -0.55 8.60 7.74 1prtG1 GLU 139 HA -0.04 0.18 0.14 -0.75 4.29 3.83 1prtG1 GLU 139 HB2 -0.02 -0.06 -0.04 -0.04 2.09 1.92 1prtG1 GLU 139 HB3 -0.09 0.01 0.10 -0.04 1.99 1.98 1prtG1 GLU 139 HG2 -0.04 -0.03 0.03 -0.04 2.34 2.25 1prtG1 GLU 139 HG3 -0.05 0.25 0.04 -0.04 2.34 2.54 1prtG1 ASN 140 H 0.07 0.33 -0.68 -0.55 8.53 7.71 1prtG1 ASN 140 HA 0.05 0.21 0.90 -0.75 4.76 5.16 1prtG1 ASN 140 HB2 0.13 0.17 0.02 -0.04 2.88 3.15 1prtG1 ASN 140 HB3 0.16 -0.11 -0.13 -0.04 2.79 2.66 1prtG1 ASN 140 HD21 0.11 -0.08 -0.08 -0.04 7.03 6.94 1prtG1 ASN 140 HD22 0.14 -0.05 -0.06 -0.04 7.74 7.72 1prtG1 ILE 141 H 0.14 0.14 -0.00 -0.55 8.25 7.98 1prtG1 ILE 141 HA 0.18 0.01 0.52 -0.75 4.18 4.13 1prtG1 ILE 141 HB 0.12 0.09 0.09 -0.04 1.89 2.14 1prtG1 ILE 141 HG12 0.28 -0.04 -0.13 -0.04 1.49 1.57 1prtG1 ILE 141 HG13 0.14 0.01 -0.06 -0.04 1.21 1.26 1prtG1 ILE 141 HG23 0.46 -0.03 -0.21 -0.04 0.93 1.12 1prtG1 ILE 141 HD13 -0.01 -0.02 -0.08 -0.04 0.88 0.73 1prtG1 ARG 142 H 0.00 0.61 0.40 -0.55 8.46 8.92 1prtG1 ARG 142 HA -0.54 0.23 0.95 -0.75 4.34 4.22 1prtG1 ARG 142 HB2 -0.80 0.07 -0.03 -0.04 1.90 1.10 1prtG1 ARG 142 HB3 -0.28 -0.03 0.20 -0.04 1.80 1.64 1prtG1 ARG 142 HG2 -0.43 -0.05 -0.21 -0.04 1.67 0.93 1prtG1 ARG 142 HG3 -1.29 0.04 -0.02 -0.04 1.67 0.36 1prtG1 ARG 142 HD2 -0.21 -0.06 -0.04 -0.04 3.22 2.87 1prtG1 ARG 142 HD3 -0.25 -0.04 -0.05 -0.04 3.22 2.84 1prtG1 ARG 143 H -0.03 0.24 0.39 -0.55 8.46 8.52 1prtG1 ARG 143 HA 0.07 0.25 1.08 -0.75 4.34 4.99 1prtG1 ARG 143 HB2 -0.07 -0.01 -0.09 -0.04 1.90 1.70 1prtG1 ARG 143 HB3 0.01 -0.07 0.08 -0.04 1.80 1.78 1prtG1 ARG 143 HG2 0.07 0.06 0.12 -0.04 1.67 1.88 1prtG1 ARG 143 HG3 0.05 0.16 0.18 -0.04 1.67 2.03 1prtG1 ARG 143 HD2 0.02 -0.04 -0.03 -0.04 3.22 3.13 1prtG1 ARG 143 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.17 1prtG1 VAL 144 H 0.19 0.53 0.43 -0.55 8.24 8.83 1prtG1 VAL 144 HA -0.07 0.25 0.80 -0.75 4.13 4.35 1prtG1 VAL 144 HB -0.27 0.04 -0.15 -0.04 2.12 1.69 1prtG1 VAL 144 HG13 0.12 -0.01 -0.16 -0.04 0.97 0.88 1prtG1 VAL 144 HG23 -0.52 -0.01 -0.23 -0.04 0.95 0.15 1prtG1 THR 145 H -0.07 0.28 0.24 -0.55 8.28 8.18 1prtG1 THR 145 HA 0.09 0.29 1.01 -0.75 4.39 5.02 1prtG1 THR 145 HB 0.05 -0.10 0.19 -0.04 4.32 4.42 1prtG1 THR 145 HG23 0.04 -0.00 -0.06 -0.04 1.22 1.15 1prtG1 ARG 146 H 0.09 0.79 0.39 -0.55 8.46 9.18 1prtG1 ARG 146 HA -0.34 0.24 1.12 -0.75 4.34 4.61 1prtG1 ARG 146 HB2 -0.12 -0.04 -0.05 -0.04 1.90 1.65 1prtG1 ARG 146 HB3 0.17 -0.00 0.16 -0.04 1.80 2.08 1prtG1 ARG 146 HG2 -0.20 0.02 -0.27 -0.04 1.67 1.18 1prtG1 ARG 146 HG3 -0.85 0.05 -0.09 -0.04 1.67 0.74 1prtG1 ARG 146 HD2 -0.16 -0.03 -0.07 -0.04 3.22 2.92 1prtG1 ARG 146 HD3 0.03 -0.02 -0.07 -0.04 3.22 3.12 1prtG1 VAL 147 H -0.24 0.79 0.37 -0.55 8.24 8.61 1prtG1 VAL 147 HA 0.01 0.32 1.05 -0.75 4.13 4.75 1prtG1 VAL 147 HB 0.06 -0.04 0.12 -0.04 2.12 2.22 1prtG1 VAL 147 HG13 0.11 -0.02 -0.28 -0.04 0.97 0.75 1prtG1 VAL 147 HG23 0.05 -0.01 -0.17 -0.04 0.95 0.78 1prtG1 TYR 148 H 0.12 0.32 0.31 -0.55 8.29 8.49 1prtG1 TYR 148 HA -0.07 0.38 1.07 -0.75 4.56 5.19 1prtG1 TYR 148 HB2 -0.09 0.02 0.02 -0.04 3.06 2.97 1prtG1 TYR 148 HB3 -0.03 -0.01 0.17 -0.04 2.98 3.07 1prtG1 TYR 148 HD2 -0.02 -0.01 -0.12 -0.04 7.15 6.95 1prtG1 TYR 148 HE2 -0.05 -0.04 -0.12 -0.04 6.85 6.61 1prtG1 HIS 149 H -0.37 0.63 0.31 -0.55 8.41 8.44 1prtG1 HIS 149 HA -0.27 0.52 1.05 -0.75 4.63 5.17 1prtG1 HIS 149 HB2 -0.02 -0.01 -0.13 -0.04 3.26 3.06 1prtG1 HIS 149 HB3 0.00 -0.10 0.04 -0.04 3.20 3.10 1prtG1 HIS 149 HD2 -0.12 -0.05 -0.38 -0.04 6.97 6.37 1prtG1 HIS 149 HE1 -0.06 0.05 -0.16 -0.04 7.75 7.54 1prtG1 ASN 150 H -0.58 0.62 0.21 -0.55 8.53 8.24 1prtG1 ASN 150 HA 0.00 0.11 0.73 -0.75 4.76 4.85 1prtG1 ASN 150 HB2 0.20 0.10 0.11 -0.04 2.88 3.24 1prtG1 ASN 150 HB3 -0.12 -0.22 0.30 -0.04 2.79 2.71 1prtG1 ASN 150 HD21 0.19 0.06 0.01 -0.04 7.03 7.25 1prtG1 ASN 150 HD22 0.21 0.05 0.02 -0.04 7.74 7.98 1prtG1 GLY 151 H -0.25 0.70 0.19 -0.55 8.43 8.52 1prtG1 GLY 151 HA2 0.26 0.02 0.37 -0.51 4.01 4.16 1prtG1 GLY 151 HA3 -0.02 0.11 0.41 -0.51 4.01 3.99 1prtG1 ILE 152 H -0.20 0.08 -0.14 -0.55 8.25 7.43 1prtG1 ILE 152 HA -0.05 0.12 0.27 -0.75 4.18 3.77 1prtG1 ILE 152 HB -0.04 -0.09 0.02 -0.04 1.89 1.74 1prtG1 ILE 152 HG12 -0.04 0.03 0.04 -0.04 1.49 1.48 1prtG1 ILE 152 HG13 -0.08 0.02 0.02 -0.04 1.21 1.13 1prtG1 ILE 152 HG23 -0.01 0.01 -0.07 -0.04 0.93 0.82 1prtG1 ILE 152 HD13 -0.29 0.10 0.13 -0.04 0.88 0.78 1prtG1 THR 153 H -0.07 -0.04 -0.16 -0.55 8.28 7.46 1prtG1 THR 153 HA -0.02 0.20 0.77 -0.75 4.39 4.59 1prtG1 THR 153 HB -0.01 0.04 0.05 -0.04 4.32 4.36 1prtG1 THR 153 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.18 1prtG1 GLY 154 H -0.20 0.49 -0.02 -0.55 8.43 8.16 1prtG1 GLY 154 HA2 -0.09 0.06 0.27 -0.51 4.01 3.74 1prtG1 GLY 154 HA3 -0.02 0.15 0.78 -0.51 4.01 4.41 1prtG1 GLU 155 H -0.24 0.01 0.13 -0.55 8.60 7.95 1prtG1 GLU 155 HA -0.04 0.19 0.71 -0.75 4.29 4.40 1prtG1 GLU 155 HB2 0.03 -0.13 0.09 -0.04 2.09 2.03 1prtG1 GLU 155 HB3 0.06 0.07 -0.07 -0.04 1.99 2.01 1prtG1 GLU 155 HG2 0.01 0.08 -0.07 -0.04 2.34 2.32 1prtG1 GLU 155 HG3 -0.01 -0.05 -0.13 -0.04 2.34 2.11 1prtG1 THR 156 H 0.03 0.24 0.23 -0.55 8.28 8.23 1prtG1 THR 156 HA 0.07 0.42 1.13 -0.75 4.39 5.26 1prtG1 THR 156 HB 0.07 -0.02 0.11 -0.04 4.32 4.45 1prtG1 THR 156 HG23 0.07 -0.02 -0.14 -0.04 1.22 1.09 1prtG1 THR 157 H 0.15 0.56 0.32 -0.55 8.28 8.77 1prtG1 THR 157 HA 0.07 0.17 1.10 -0.75 4.39 4.97 1prtG1 THR 157 HB 0.21 -0.06 0.17 -0.04 4.32 4.60 1prtG1 THR 157 HG23 0.01 0.01 -0.13 -0.04 1.22 1.07 1prtG1 THR 158 H 0.04 0.17 0.15 -0.55 8.28 8.08 1prtG1 THR 158 HA 0.03 0.19 0.70 -0.75 4.39 4.56 1prtG1 THR 158 HB 0.02 -0.00 0.13 -0.04 4.32 4.43 1prtG1 THR 158 HG23 0.02 -0.01 -0.19 -0.04 1.22 0.99 1prtG1 THR 159 H 0.04 0.28 0.32 -0.55 8.28 8.38 1prtG1 THR 159 HA -0.04 0.11 0.84 -0.75 4.39 4.54 1prtG1 THR 159 HB -0.12 0.03 0.04 -0.04 4.32 4.24 1prtG1 THR 159 HG23 0.00 -0.00 -0.34 -0.04 1.22 0.84 1prtG1 GLU 160 H -0.12 0.17 0.21 -0.55 8.60 8.31 1prtG1 GLU 160 HA 0.12 0.33 1.21 -0.75 4.29 5.19 1prtG1 GLU 160 HB2 -0.04 -0.03 0.09 -0.04 2.09 2.06 1prtG1 GLU 160 HB3 0.03 0.07 0.14 -0.04 1.99 2.19 1prtG1 GLU 160 HG2 0.00 -0.12 -0.13 -0.04 2.34 2.06 1prtG1 GLU 160 HG3 -0.00 0.00 0.00 -0.04 2.34 2.30 1prtG1 TYR 161 H 0.27 0.49 0.37 -0.55 8.29 8.88 1prtG1 TYR 161 HA 0.08 0.14 0.72 -0.75 4.56 4.74 1prtG1 TYR 161 HB2 0.13 -0.05 -0.07 -0.04 3.06 3.03 1prtG1 TYR 161 HB3 0.18 0.04 0.03 -0.04 2.98 3.20 1prtG1 TYR 161 HD2 0.03 -0.02 -0.27 -0.04 7.15 6.86 1prtG1 TYR 161 HE2 -0.01 -0.00 -0.12 -0.04 6.85 6.68 1prtG1 SER 162 H 0.21 0.20 0.17 -0.55 8.46 8.50 1prtG1 SER 162 HA 0.03 0.25 1.09 -0.75 4.49 5.11 1prtG1 SER 162 HB2 0.02 -0.05 0.03 -0.04 3.95 3.91 1prtG1 SER 162 HB3 -0.06 0.15 0.03 -0.04 3.93 4.01 1prtG1 ASN 163 H -0.42 0.79 0.26 -0.55 8.53 8.61 1prtG1 ASN 163 HA -0.55 0.04 0.85 -0.75 4.76 4.35 1prtG1 ASN 163 HB2 -2.55 -0.07 -0.07 -0.04 2.88 0.14 1prtG1 ASN 163 HB3 -0.55 0.26 0.11 -0.04 2.79 2.57 1prtG1 ASN 163 HD21 -0.05 0.05 -0.01 -0.04 7.03 6.98 1prtG1 ASN 163 HD22 -0.14 0.33 0.08 -0.04 7.74 7.97 1prtG1 ALA 164 H -0.06 0.14 0.14 -0.55 8.40 8.08 1prtG1 ALA 164 HA -0.00 0.12 0.49 -0.75 4.34 4.19 1prtG1 ALA 164 HB3 0.01 -0.01 0.08 -0.04 1.41 1.46 1prtG1 ARG 165 H -0.03 0.01 -0.05 -0.55 8.46 7.84 1prtG1 ARG 165 HA -0.01 0.01 0.25 -0.75 4.34 3.83 1prtG1 ARG 165 HB2 -0.02 0.11 -0.03 -0.04 1.90 1.91 1prtG1 ARG 165 HB3 -0.01 -0.03 -0.03 -0.04 1.80 1.69 1prtG1 ARG 165 HG2 0.01 -0.02 0.03 -0.04 1.67 1.65 1prtG1 ARG 165 HG3 0.01 -0.15 0.07 -0.04 1.67 1.56 1prtG1 ARG 165 HD2 0.06 -0.12 -0.08 -0.04 3.22 3.03 1prtG1 ARG 165 HD3 0.03 0.46 0.11 -0.04 3.22 3.78 1prtG1 TYR 166 H 0.02 -0.02 -0.82 -0.55 8.29 6.92 1prtG1 TYR 166 HA -0.07 -0.03 0.28 -0.75 4.56 3.99 1prtG1 TYR 166 HB2 -0.15 0.27 0.23 -0.04 3.06 3.37 1prtG1 TYR 166 HB3 -0.11 0.15 0.13 -0.04 2.98 3.11 1prtG1 TYR 166 HD2 -0.05 0.02 -0.53 -0.04 7.15 6.54 1prtG1 TYR 166 HE2 -0.04 -0.06 -0.10 -0.04 6.85 6.60 1prtG1 VAL 167 H -0.42 0.49 0.35 -0.55 8.24 8.11 1prtG1 VAL 167 HA -0.23 0.06 0.85 -0.75 4.13 4.06 1prtG1 VAL 167 HB -0.21 0.02 0.22 -0.04 2.12 2.11 1prtG1 VAL 167 HG13 -0.13 -0.01 -0.07 -0.04 0.97 0.72 1prtG1 VAL 167 HG23 -0.09 0.03 0.07 -0.04 0.95 0.91 1prtG1 SER 168 H -0.21 0.10 0.17 -0.55 8.46 7.97 1prtG1 SER 168 HA -0.34 0.11 0.63 -0.75 4.49 4.14 1prtG1 SER 168 HB2 0.09 0.02 0.08 -0.04 3.95 4.10 1prtG1 SER 168 HB3 -0.03 -0.04 0.10 -0.04 3.93 3.91 1prtG1 GLN 169 H -0.06 0.38 0.30 -0.55 8.47 8.54 1prtG1 GLN 169 HA -0.05 0.08 0.56 -0.75 4.36 4.20 1prtG1 GLN 169 HB2 -0.07 0.01 -0.09 -0.04 2.15 1.96 1prtG1 GLN 169 HB3 -0.05 -0.07 -0.00 -0.04 2.02 1.87 1prtG1 GLN 169 HG2 -0.14 0.14 -0.91 -0.04 2.40 1.45 1prtG1 GLN 169 HG3 -0.09 0.01 -0.17 -0.04 2.39 2.09 1prtG1 GLN 169 HE21 -0.04 -0.06 -0.02 -0.04 6.97 6.81 1prtG1 GLN 169 HE22 -0.07 0.03 -0.08 -0.04 7.69 7.53 1prtG1 GLN 170 H -0.02 0.18 0.03 -0.55 8.47 8.11 1prtG1 GLN 170 HA -0.01 0.19 0.90 -0.75 4.36 4.68 1prtG1 GLN 170 HB2 -0.01 -0.03 0.22 -0.04 2.15 2.29 1prtG1 GLN 170 HB3 -0.01 0.03 0.14 -0.04 2.02 2.15 1prtG1 GLN 170 HG2 -0.01 -0.05 -0.12 -0.04 2.40 2.17 1prtG1 GLN 170 HG3 -0.01 -0.01 0.01 -0.04 2.39 2.34 1prtG1 GLN 170 HE21 0.01 -0.00 -0.02 -0.04 6.97 6.92 1prtG1 GLN 170 HE22 0.00 -0.07 -0.23 -0.04 7.69 7.35 1prtG1 THR 171 H -0.03 0.26 -0.06 -0.55 8.28 7.89 1prtG1 THR 171 HA -0.02 0.16 0.87 -0.75 4.39 4.64 1prtG1 THR 171 HB -0.03 -0.11 0.25 -0.04 4.32 4.39 1prtG1 THR 171 HG23 -0.02 -0.05 -0.15 -0.04 1.22 0.96 1prtG1 ARG 172 H -0.04 0.22 0.19 -0.55 8.46 8.27 1prtG1 ARG 172 HA -0.13 0.09 0.38 -0.75 4.34 3.93 1prtG1 ARG 172 HB2 -0.06 0.19 -0.22 -0.04 1.90 1.77 1prtG1 ARG 172 HB3 -0.06 0.02 0.00 -0.04 1.80 1.72 1prtG1 ARG 172 HG2 -0.02 -0.17 -0.32 -0.04 1.67 1.11 1prtG1 ARG 172 HG3 -0.02 0.10 -0.18 -0.04 1.67 1.54 1prtG1 ARG 172 HD2 -0.01 -0.10 -0.08 -0.04 3.22 2.99 1prtG1 ARG 172 HD3 -0.01 0.05 -0.05 -0.04 3.22 3.18 1prtG1 ALA 173 H -0.14 0.67 -0.03 -0.55 8.40 8.35 1prtG1 ALA 173 HA 0.01 0.20 0.31 -0.75 4.34 4.11 1prtG1 ALA 173 HB3 0.02 -0.02 0.01 -0.04 1.41 1.38 1prtG1 ASN 174 H -0.05 0.63 0.36 -0.55 8.53 8.92 1prtG1 ASN 174 HA -0.01 0.07 0.65 -0.75 4.76 4.72 1prtG1 ASN 174 HB2 -0.39 0.25 0.36 -0.04 2.88 3.06 1prtG1 ASN 174 HB3 -0.37 -0.02 0.21 -0.04 2.79 2.57 1prtG1 ASN 174 HD21 0.24 -0.08 0.05 -0.04 7.03 7.20 1prtG1 ASN 174 HD22 -0.02 0.16 0.11 -0.04 7.74 7.95 1prtG1 PRO 175 HA 0.09 0.06 0.42 -0.51 4.44 4.50 1prtG1 PRO 175 HB2 0.06 -0.01 0.04 -0.04 2.28 2.33 1prtG1 PRO 175 HB3 0.05 0.06 0.11 -0.04 2.02 2.20 1prtG1 PRO 175 HG2 0.06 -0.02 0.06 -0.04 2.03 2.09 1prtG1 PRO 175 HG3 0.04 0.03 0.09 -0.04 2.03 2.15 1prtG1 PRO 175 HD2 0.04 0.02 0.29 -0.04 3.68 4.00 1prtG1 PRO 175 HD3 0.03 0.30 0.27 -0.04 3.65 4.21 1prtG1 ASN 176 H 0.12 0.07 -0.29 -0.55 8.53 7.87 1prtG1 ASN 176 HA 0.11 0.19 0.82 -0.75 4.76 5.12 1prtG1 ASN 176 HB2 0.15 -0.03 0.06 -0.04 2.88 3.02 1prtG1 ASN 176 HB3 0.11 0.07 0.01 -0.04 2.79 2.94 1prtG1 ASN 176 HD21 0.06 -0.00 -0.02 -0.04 7.03 7.03 1prtG1 ASN 176 HD22 0.09 -0.00 0.02 -0.04 7.74 7.80 1prtG1 PRO 177 HA 0.15 -0.06 0.35 -0.51 4.44 4.37 1prtG1 PRO 177 HB2 0.07 0.03 -0.07 -0.04 2.28 2.26 1prtG1 PRO 177 HB3 0.07 0.01 -0.27 -0.04 2.02 1.79 1prtG1 PRO 177 HG2 0.09 0.03 0.03 -0.04 2.03 2.14 1prtG1 PRO 177 HG3 0.10 -0.03 -0.00 -0.04 2.03 2.05 1prtG1 PRO 177 HD2 0.08 0.08 0.16 -0.04 3.68 3.96 1prtG1 PRO 177 HD3 0.10 0.26 0.30 -0.04 3.65 4.26 1prtG1 TYR 178 H 0.13 0.01 0.15 -0.55 8.29 8.03 1prtG1 TYR 178 HA -0.32 0.15 0.60 -0.75 4.56 4.23 1prtG1 TYR 178 HB2 -0.52 0.01 0.11 -0.04 3.06 2.62 1prtG1 TYR 178 HB3 -0.23 -0.09 0.03 -0.04 2.98 2.65 1prtG1 TYR 178 HD2 -0.61 -0.04 -0.03 -0.04 7.15 6.44 1prtG1 TYR 178 HE2 -0.19 0.07 0.07 -0.04 6.85 6.76 1prtG1 THR 179 H -0.87 0.22 0.19 -0.55 8.28 7.27 1prtG1 THR 179 HA -0.11 0.15 0.96 -0.75 4.39 4.63 1prtG1 THR 179 HB -0.10 0.02 -0.05 -0.04 4.32 4.15 1prtG1 THR 179 HG23 -0.03 0.03 -0.20 -0.04 1.22 0.98 1prtG1 SER 180 H -0.03 0.30 0.21 -0.55 8.46 8.39 1prtG1 SER 180 HA -0.09 0.16 0.64 -0.75 4.49 4.45 1prtG1 SER 180 HB2 0.04 -0.02 0.10 -0.04 3.95 4.03 1prtG1 SER 180 HB3 0.03 0.21 -0.04 -0.04 3.93 4.09 1prtG1 ARG 181 H 0.00 0.08 0.11 -0.55 8.46 8.10 1prtG1 ARG 181 HA 0.11 0.14 0.64 -0.75 4.34 4.48 1prtG1 ARG 181 HB2 0.03 -0.04 0.11 -0.04 1.90 1.96 1prtG1 ARG 181 HB3 0.03 0.13 -0.01 -0.04 1.80 1.91 1prtG1 ARG 181 HG2 0.12 -0.06 0.12 -0.04 1.67 1.81 1prtG1 ARG 181 HG3 0.09 0.02 0.05 -0.04 1.67 1.79 1prtG1 ARG 181 HD2 0.03 -0.02 0.01 -0.04 3.22 3.21 1prtG1 ARG 181 HD3 0.04 0.03 0.01 -0.04 3.22 3.26 1prtG1 ARG 182 H 0.14 0.11 0.13 -0.55 8.46 8.29 1prtG1 ARG 182 HA -0.61 0.00 0.38 -0.75 4.34 3.36 1prtG1 ARG 182 HB2 0.35 0.01 0.16 -0.04 1.90 2.38 1prtG1 ARG 182 HB3 0.09 -0.03 0.07 -0.04 1.80 1.90 1prtG1 ARG 182 HG2 0.04 0.38 0.03 -0.04 1.67 2.09 1prtG1 ARG 182 HG3 -0.02 -0.05 0.14 -0.04 1.67 1.70 1prtG1 ARG 182 HD2 0.09 -0.05 0.01 -0.04 3.22 3.23 1prtG1 ARG 182 HD3 0.07 0.03 0.05 -0.04 3.22 3.32 1prtG1 SER 183 H 0.12 0.10 0.20 -0.55 8.46 8.34 1prtG1 SER 183 HA 0.05 0.08 0.61 -0.75 4.49 4.47 1prtG1 SER 183 HB2 0.05 -0.12 0.10 -0.04 3.95 3.94 1prtG1 SER 183 HB3 0.09 0.11 0.10 -0.04 3.93 4.20 1prtG1 VAL 184 H 0.04 0.13 -0.01 -0.55 8.24 7.85 1prtG1 VAL 184 HA 0.04 0.23 0.76 -0.75 4.13 4.40 1prtG1 VAL 184 HB 0.03 0.01 0.18 -0.04 2.12 2.29 1prtG1 VAL 184 HG13 0.03 0.03 -0.18 -0.04 0.97 0.81 1prtG1 VAL 184 HG23 0.03 -0.00 0.00 -0.04 0.95 0.94 1prtG1 ALA 185 H 0.04 0.21 -0.20 -0.55 8.40 7.91 1prtG1 ALA 185 HA 0.03 0.22 0.87 -0.75 4.34 4.71 1prtG1 ALA 185 HB3 0.04 0.01 -0.07 -0.04 1.41 1.34 1prtG1 SER 186 H 0.03 0.18 0.07 -0.55 8.46 8.19 1prtG1 SER 186 HA 0.03 0.11 0.53 -0.75 4.49 4.40 1prtG1 SER 186 HB2 0.02 0.03 0.00 -0.04 3.95 3.96 1prtG1 SER 186 HB3 0.02 0.04 0.06 -0.04 3.93 4.01 1prtG1 ILE 187 H 0.03 0.30 0.13 -0.55 8.25 8.17 1prtG1 ILE 187 HA 0.06 0.13 0.90 -0.75 4.18 4.51 1prtG1 ILE 187 HB 0.04 0.08 0.08 -0.04 1.89 2.05 1prtG1 ILE 187 HG12 0.05 -0.01 -0.18 -0.04 1.49 1.31 1prtG1 ILE 187 HG13 0.04 0.11 -0.44 -0.04 1.21 0.88 1prtG1 ILE 187 HG23 0.07 -0.02 -0.17 -0.04 0.93 0.77 1prtG1 ILE 187 HD13 0.03 -0.01 -0.13 -0.04 0.88 0.73 1prtG1 VAL 188 H 0.05 0.19 0.06 -0.55 8.24 7.99 1prtG1 VAL 188 HA -0.10 0.12 0.44 -0.75 4.13 3.84 1prtG1 VAL 188 HB -0.67 -0.03 -0.01 -0.04 2.12 1.37 1prtG1 VAL 188 HG13 -0.41 -0.00 -0.05 -0.04 0.97 0.47 1prtG1 VAL 188 HG23 0.00 0.02 0.00 -0.04 0.95 0.93 1prtG1 GLY 189 H 0.10 0.23 -0.01 -0.55 8.43 8.21 1prtG1 GLY 189 HA2 0.03 0.08 0.20 -0.51 4.01 3.81 1prtG1 GLY 189 HA3 -0.02 0.04 0.43 -0.51 4.01 3.94 1prtG1 THR 190 H 0.15 0.04 0.11 -0.55 8.28 8.04 1prtG1 THR 190 HA 0.11 0.20 0.71 -0.75 4.39 4.65 1prtG1 THR 190 HB 0.19 -0.15 0.12 -0.04 4.32 4.44 1prtG1 THR 190 HG23 0.11 0.07 -0.18 -0.04 1.22 1.17 1prtG1 LEU 191 H 0.05 0.53 0.23 -0.55 8.37 8.64 1prtG1 LEU 191 HA -0.14 0.25 0.69 -0.75 4.35 4.39 1prtG1 LEU 191 HB2 -0.04 0.01 0.21 -0.04 1.64 1.79 1prtG1 LEU 191 HB3 -0.10 -0.02 -0.05 -0.04 1.64 1.43 1prtG1 LEU 191 HG -0.12 0.01 -0.09 -0.04 1.64 1.40 1prtG1 LEU 191 HD13 -0.05 -0.01 -0.10 -0.04 0.93 0.73 1prtG1 LEU 191 HD23 -0.52 0.01 -0.24 -0.04 0.89 0.11 1prtG1 VAL 192 H -0.10 0.73 0.43 -0.55 8.24 8.75 1prtG1 VAL 192 HA -0.10 0.14 0.86 -0.75 4.13 4.28 1prtG1 VAL 192 HB -0.16 -0.12 -0.42 -0.04 2.12 1.38 1prtG1 VAL 192 HG13 -0.35 0.03 -0.30 -0.04 0.97 0.31 1prtG1 VAL 192 HG23 -0.31 0.01 -0.26 -0.04 0.95 0.35 1prtG1 ARG 193 H -0.10 0.76 0.32 -0.55 8.46 8.89 1prtG1 ARG 193 HA -0.05 0.23 0.84 -0.75 4.34 4.61 1prtG1 ARG 193 HB2 -0.02 -0.07 -0.01 -0.04 1.90 1.76 1prtG1 ARG 193 HB3 -0.05 -0.04 0.12 -0.04 1.80 1.79 1prtG1 ARG 193 HG2 0.02 0.23 -0.11 -0.04 1.67 1.77 1prtG1 ARG 193 HG3 0.02 0.01 -0.01 -0.04 1.67 1.64 1prtG1 ARG 193 HD2 0.11 -0.03 -0.10 -0.04 3.22 3.15 1prtG1 ARG 193 HD3 0.07 -0.08 -0.07 -0.04 3.22 3.10 1prtG1 MET 194 H -0.03 0.20 0.10 -0.55 8.47 8.19 1prtG1 MET 194 HA -0.08 0.08 0.50 -0.75 4.52 4.27 1prtG1 MET 194 HB2 -0.03 0.06 0.04 -0.04 2.15 2.18 1prtG1 MET 194 HB3 -0.03 -0.06 0.05 -0.04 2.03 1.94 1prtG1 MET 194 HG2 -0.04 0.03 -0.12 -0.04 2.63 2.47 1prtG1 MET 194 HG3 -0.02 0.02 -0.08 -0.04 2.56 2.44 1prtG1 MET 194 HE3 -0.03 -0.01 -0.08 -0.04 2.10 1.95 1prtG1 ALA 195 H -0.05 0.03 -0.03 -0.55 8.40 7.79 1prtG1 ALA 195 HA -0.09 -0.08 0.32 -0.75 4.34 3.74 1prtG1 ALA 195 HB3 -0.05 0.02 -0.03 -0.04 1.41 1.31 1prtG1 PRO 196 HA -0.08 -0.07 0.24 -0.51 4.44 4.03 1prtG1 PRO 196 HB2 0.07 0.04 -0.12 -0.04 2.28 2.23 1prtG1 PRO 196 HB3 -0.14 0.01 -0.02 -0.04 2.02 1.83 1prtG1 PRO 196 HG2 0.02 0.01 -0.30 -0.04 2.03 1.72 1prtG1 PRO 196 HG3 -0.05 0.01 -0.11 -0.04 2.03 1.84 1prtG1 PRO 196 HD2 0.05 0.14 0.23 -0.04 3.68 4.05 1prtG1 PRO 196 HD3 -0.30 0.08 0.16 -0.04 3.65 3.55 1prtG1 VAL 197 H -0.03 0.06 0.01 -0.55 8.24 7.74 1prtG1 VAL 197 HA -0.17 0.38 0.41 -0.75 4.13 3.99 1prtG1 VAL 197 HB -0.30 -0.02 0.14 -0.04 2.12 1.90 1prtG1 VAL 197 HG13 -0.87 -0.02 -0.16 -0.04 0.97 -0.12 1prtG1 VAL 197 HG23 -0.24 -0.01 -0.03 -0.04 0.95 0.62 1prtG1 VAL 198 H -0.10 0.57 0.36 -0.55 8.24 8.52 1prtG1 VAL 198 HA 0.13 0.16 0.92 -0.75 4.13 4.59 1prtG1 VAL 198 HB -0.20 0.01 0.03 -0.04 2.12 1.91 1prtG1 VAL 198 HG13 -0.29 0.01 -0.06 -0.04 0.97 0.58 1prtG1 VAL 198 HG23 -0.19 0.10 -0.33 -0.04 0.95 0.49 1prtG1 GLY 199 H 0.04 0.17 0.11 -0.55 8.43 8.20 1prtG1 GLY 199 HA2 -0.06 0.15 0.47 -0.51 4.01 4.06 1prtG1 GLY 199 HA3 -0.03 0.01 0.33 -0.51 4.01 3.81 1prtG1 ALA 200 H -0.06 0.41 0.23 -0.55 8.40 8.44 1prtG1 ALA 200 HA -0.02 0.09 0.23 -0.75 4.34 3.89 1prtG1 ALA 200 HB3 -0.02 0.01 -0.00 -0.04 1.41 1.36 1prtG1 CYS 201 H -0.12 0.08 -0.17 -0.55 8.50 7.73 1prtG1 CYS 201 HA -0.06 0.12 0.36 -0.75 4.58 4.25 1prtG1 CYS 201 HB2 -0.29 -0.07 0.04 -0.04 2.97 2.61 1prtG1 CYS 201 HB3 -0.23 0.06 -0.03 -0.04 2.97 2.72 1prtG1 MET 202 H -0.07 0.03 -0.19 -0.55 8.47 7.70 1prtG1 MET 202 HA -0.04 0.08 0.35 -0.75 4.52 4.15 1prtG1 MET 202 HB2 0.00 -0.09 0.09 -0.04 2.15 2.11 1prtG1 MET 202 HB3 -0.05 0.03 0.10 -0.04 2.03 2.06 1prtG1 MET 202 HG2 -0.02 0.05 -0.16 -0.04 2.63 2.46 1prtG1 MET 202 HG3 0.04 0.04 -0.04 -0.04 2.56 2.56 1prtG1 MET 202 HE3 0.10 -0.00 -0.16 -0.04 2.10 2.00 1prtG1 ALA 203 H -0.08 0.56 -0.11 -0.55 8.40 8.22 1prtG1 ALA 203 HA -0.04 0.03 0.30 -0.75 4.34 3.88 1prtG1 ALA 203 HB3 -0.05 -0.02 -0.07 -0.04 1.41 1.23 1prtG1 ARG 204 H 0.06 0.60 -0.22 -0.55 8.46 8.35 1prtG1 ARG 204 HA 0.19 0.04 0.49 -0.75 4.34 4.30 1prtG1 ARG 204 HB2 0.25 0.12 0.15 -0.04 1.90 2.38 1prtG1 ARG 204 HB3 0.55 -0.03 0.02 -0.04 1.80 2.30 1prtG1 ARG 204 HG2 0.11 -0.10 -0.05 -0.04 1.67 1.59 1prtG1 ARG 204 HG3 0.13 -0.11 -0.04 -0.04 1.67 1.61 1prtG1 ARG 204 HD2 0.13 -0.01 0.03 -0.04 3.22 3.33 1prtG1 ARG 204 HD3 0.07 -0.09 -0.00 -0.04 3.22 3.15 1prtG1 GLN 205 H -0.04 0.67 0.01 -0.55 8.47 8.56 1prtG1 GLN 205 HA -0.14 0.03 0.51 -0.75 4.36 4.01 1prtG1 GLN 205 HB2 -0.18 0.08 0.22 -0.04 2.15 2.22 1prtG1 GLN 205 HB3 -0.26 -0.04 0.11 -0.04 2.02 1.78 1prtG1 GLN 205 HG2 -1.31 -0.00 0.12 -0.04 2.40 1.16 1prtG1 GLN 205 HG3 -0.66 0.07 0.17 -0.04 2.39 1.93 1prtG1 GLN 205 HE21 -0.16 0.21 0.09 -0.04 6.97 7.06 1prtG1 GLN 205 HE22 -0.61 -0.04 0.08 -0.04 7.69 7.07 1prtG1 ALA 206 H 0.12 0.30 -0.41 -0.55 8.40 7.87 1prtG1 ALA 206 HA 0.07 0.09 0.70 -0.75 4.34 4.44 1prtG1 ALA 206 HB3 0.26 0.00 0.08 -0.04 1.41 1.71 1prtG1 GLU 207 H 0.16 0.40 -0.36 -0.55 8.60 8.25 1prtG1 GLU 207 HA 0.13 0.10 0.96 -0.75 4.29 4.72 1prtG1 GLU 207 HB2 0.17 0.05 0.01 -0.04 2.09 2.28 1prtG1 GLU 207 HB3 0.13 -0.01 0.11 -0.04 1.99 2.17 1prtG1 GLU 207 HG2 0.20 0.04 -0.21 -0.04 2.34 2.32 1prtG1 GLU 207 HG3 0.16 -0.05 0.00 -0.04 2.34 2.41 1prtG1 SER 208 H 0.08 0.23 0.16 -0.55 8.46 8.39 1prtG1 SER 208 HA 0.08 0.16 0.54 -0.75 4.49 4.51 1prtG1 SER 208 HB2 0.03 -0.19 0.11 -0.04 3.95 3.85 1prtG1 SER 208 HB3 0.04 0.17 -0.08 -0.04 3.93 4.02 1prtG1 SER 209 H 0.03 0.17 0.04 -0.55 8.46 8.15 1prtG1 SER 209 HA 0.03 0.22 0.93 -0.75 4.49 4.92 1prtG1 SER 209 HB2 0.02 0.00 0.12 -0.04 3.95 4.05 1prtG1 SER 209 HB3 0.02 0.04 0.03 -0.04 3.93 3.99 1prtG1 GLU 210 H 0.04 0.42 -0.12 -0.55 8.60 8.39 1prtG1 GLU 210 HA 0.02 0.13 0.27 -0.75 4.29 3.95 1prtG1 GLU 210 HB2 0.02 0.01 0.06 -0.04 2.09 2.14 1prtG1 GLU 210 HB3 0.01 0.13 -0.06 -0.04 1.99 2.03 1prtG1 GLU 210 HG2 0.02 -0.13 -0.29 -0.04 2.34 1.89 1prtG1 GLU 210 HG3 0.04 0.04 -0.03 -0.04 2.34 2.34 1prtG1 GLU 221 HA 0.01 -0.09 0.21 -0.75 4.29 3.67 1prtG1 GLU 221 HB2 0.03 -0.00 -0.00 -0.04 2.09 2.07 1prtG1 GLU 221 HB3 0.02 0.05 0.00 -0.04 1.99 2.01 1prtG1 GLU 221 HG2 0.01 -0.04 0.06 -0.04 2.34 2.34 1prtG1 GLU 221 HG3 0.02 -0.00 0.05 -0.04 2.34 2.37 1prtG1 ALA 222 H 0.01 0.07 0.10 -0.55 8.40 8.03 1prtG1 ALA 222 HA 0.02 0.13 0.68 -0.75 4.34 4.41 1prtG1 ALA 222 HB3 0.00 -0.00 0.04 -0.04 1.41 1.41 1prtG1 MET 223 H 0.03 0.14 0.14 -0.55 8.47 8.23 1prtG1 MET 223 HA 0.03 0.11 0.52 -0.75 4.52 4.42 1prtG1 MET 223 HB2 0.07 0.10 0.06 -0.04 2.15 2.34 1prtG1 MET 223 HB3 0.04 -0.07 0.09 -0.04 2.03 2.05 1prtG1 MET 223 HG2 0.03 -0.02 -0.37 -0.04 2.63 2.23 1prtG1 MET 223 HG3 0.07 0.05 -0.07 -0.04 2.56 2.57 1prtG1 MET 223 HE3 0.13 0.08 -0.13 -0.04 2.10 2.14 1prtG1 VAL 224 H 0.01 0.19 0.10 -0.55 8.24 7.99 1prtG1 VAL 224 HA -0.01 0.08 0.60 -0.75 4.13 4.04 1prtG1 VAL 224 HB -0.00 -0.01 0.17 -0.04 2.12 2.24 1prtG1 VAL 224 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 1prtG1 VAL 224 HG23 -0.01 0.02 -0.01 -0.04 0.95 0.91 1prtG1 LEU 225 H -0.04 0.26 0.27 -0.55 8.37 8.32 1prtG1 LEU 225 HA -0.06 0.14 0.59 -0.75 4.35 4.27 1prtG1 LEU 225 HB2 -0.08 -0.00 0.10 -0.04 1.64 1.62 1prtG1 LEU 225 HB3 -0.10 -0.08 -0.06 -0.04 1.64 1.35 1prtG1 LEU 225 HG -0.01 0.18 -0.09 -0.04 1.64 1.67 1prtG1 LEU 225 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 1prtG1 LEU 225 HD23 -0.02 0.00 -0.23 -0.04 0.89 0.60 1prtG1 VAL 226 H -0.10 0.65 0.35 -0.55 8.24 8.58 1prtG1 VAL 226 HA -0.13 0.15 0.77 -0.75 4.13 4.16 1prtG1 VAL 226 HB -0.04 0.06 -0.25 -0.04 2.12 1.85 1prtG1 VAL 226 HG13 -0.01 0.00 -0.27 -0.04 0.97 0.66 1prtG1 VAL 226 HG23 0.00 0.01 -0.06 -0.04 0.95 0.86 1prtG1 TYR 227 H 0.07 0.19 0.07 -0.55 8.29 8.07 1prtG1 TYR 227 HA 0.05 0.36 0.85 -0.75 4.56 5.06 1prtG1 TYR 227 HB2 0.06 0.04 0.15 -0.04 3.06 3.27 1prtG1 TYR 227 HB3 0.07 -0.13 -0.02 -0.04 2.98 2.86 1prtG1 TYR 227 HD2 0.04 -0.02 -0.29 -0.04 7.15 6.84 1prtG1 TYR 227 HE2 0.02 0.08 -0.08 -0.04 6.85 6.83 1prtG1 TYR 228 H 0.21 0.74 0.24 -0.55 8.29 8.93 1prtG1 TYR 228 HA 0.01 0.06 0.23 -0.75 4.56 4.11 1prtG1 TYR 228 HB2 -0.01 0.13 0.04 -0.04 3.06 3.18 1prtG1 TYR 228 HB3 0.01 -0.13 0.07 -0.04 2.98 2.89 1prtG1 TYR 228 HD2 -0.07 -0.03 -0.01 -0.04 7.15 7.01 1prtG1 TYR 228 HE2 -0.18 0.02 -0.03 -0.04 6.85 6.62 1prtG1 GLU 229 H 0.20 0.03 -0.36 -0.55 8.60 7.93 1prtG1 GLU 229 HA 0.04 0.03 0.30 -0.75 4.29 3.91 1prtG1 GLU 229 HB2 0.06 0.02 0.01 -0.04 2.09 2.14 1prtG1 GLU 229 HB3 0.03 0.10 -0.00 -0.04 1.99 2.08 1prtG1 GLU 229 HG2 0.01 0.13 0.07 -0.04 2.34 2.50 1prtG1 GLU 229 HG3 -0.00 -0.03 0.05 -0.04 2.34 2.31 1prtG1 SER 230 H 0.20 0.48 -0.08 -0.55 8.46 8.52 1prtG1 SER 230 HA 0.18 0.10 0.55 -0.75 4.49 4.57 1prtG1 SER 230 HB2 0.22 0.02 0.02 -0.04 3.95 4.17 1prtG1 SER 230 HB3 0.19 -0.02 0.11 -0.04 3.93 4.17 1prtG1 ILE 231 H 0.18 0.28 -0.26 -0.55 8.25 7.90 1prtG1 ILE 231 HA 0.21 0.39 1.18 -0.75 4.18 5.20 1prtG1 ILE 231 HB 0.14 0.00 0.06 -0.04 1.89 2.04 1prtG1 ILE 231 HG12 0.11 0.02 -0.40 -0.04 1.49 1.18 1prtG1 ILE 231 HG13 0.06 -0.06 -0.14 -0.04 1.21 1.03 1prtG1 ILE 231 HG23 0.15 -0.00 -0.23 -0.04 0.93 0.81 1prtG1 ILE 231 HD13 0.15 0.08 -0.10 -0.04 0.88 0.97 1prtG1 ALA 232 H 0.11 0.37 0.11 -0.55 8.40 8.45 1prtG1 ALA 232 HA 0.02 -0.00 0.35 -0.75 4.34 3.95 1prtG1 ALA 232 HB3 -0.17 -0.03 0.05 -0.04 1.41 1.22 1prtG1 TYR 233 H 0.03 0.15 -0.71 -0.55 8.29 7.22 1prtG1 TYR 233 HA -0.09 0.09 0.86 -0.75 4.56 4.66 1prtG1 TYR 233 HB2 -0.19 -0.00 -0.03 -0.04 3.06 2.79 1prtG1 TYR 233 HB3 -0.21 0.14 0.00 -0.04 2.98 2.87 1prtG1 TYR 233 HD2 -0.09 -0.02 -0.03 -0.04 7.15 6.96 1prtG1 TYR 233 HE2 -0.06 -0.04 -0.01 -0.04 6.85 6.69 1prtG1 SER 234 H 0.06 0.03 0.10 -0.55 8.46 8.11 1prtG1 SER 234 HA 0.02 0.07 0.41 -0.75 4.49 4.24 1prtG1 SER 234 HB2 0.02 0.04 -0.01 -0.04 3.95 3.95 1prtG1 SER 234 HB3 0.04 -0.07 0.11 -0.04 3.93 3.96 1prtG1 PHE 235 H 0.14 0.05 0.06 -0.55 8.34 8.04 1prtG1 PHE 235 HA 0.03 0.28 0.73 -0.75 4.62 4.90 1prtG1 PHE 235 HB2 0.03 -0.02 0.07 -0.04 3.15 3.19 1prtG1 PHE 235 HB3 0.02 -0.01 0.07 -0.04 3.06 3.10 1prtG1 PHE 235 HD2 0.03 -0.06 0.00 -0.04 7.28 7.21 1prtG1 PHE 235 HE2 0.03 0.05 0.08 -0.04 7.38 7.49 1prtG1 PHE 235 HZ 0.04 -0.03 0.10 -0.04 7.32 7.39