============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 12 0.840 2.040 34.743 10.472 -99.200 -91.000 HIS 24 0.900 22.764 23.402 -6.220 -99.200 -91.000 PHE 29 1.000 12.027 30.595 -5.708 -99.200 -91.000 PHE 31 1.000 9.146 34.010 -0.700 -99.200 -91.000 HIS 38 0.900 8.691 41.469 12.528 -99.200 -91.000 HIS 47 0.900 8.141 20.729 8.666 -99.200 -91.000 TYR 49 0.840 3.091 21.936 6.480 -99.200 -91.000 TYR 63 0.840 8.933 24.076 -0.099 -99.200 -91.000 PHE 74 1.000 17.923 37.522 4.754 -99.200 -91.000 TYR 82 0.840 10.147 24.766 -12.094 -99.200 -91.000 PHE 83 1.000 11.414 17.784 -8.183 -99.200 -91.000 HIS 87 0.900 12.760 19.621 -18.177 -99.200 -91.000 PHE 90 1.000 6.755 9.194 -15.249 -99.200 -91.000 TYR 99 0.840 1.855 29.845 -7.055 -99.200 -91.000 PHE 111 1.000 7.233 31.962 3.736 -99.200 -91.000 TYR 120 0.840 20.921 20.510 18.615 -99.200 -91.000 PHE 126 1.000 19.171 16.104 18.088 -99.200 -91.000 HIS 170 0.900 32.520 20.209 23.215 -99.200 -91.000 HIS 174 0.900 29.835 10.710 12.586 -99.200 -91.000 PHE 177 1.000 22.879 15.774 -0.271 -99.200 -91.000 HIS 198 0.900 32.868 24.767 12.021 -99.200 -91.000 PHE 202 1.000 29.383 18.437 7.938 -99.200 -91.000 TRP 205 1.040 31.798 8.671 1.494 -99.200 -91.000 TRP6 205 1.020 34.106 9.051 1.723 -99.200 -91.000 TYR 206 0.840 29.336 15.192 -1.303 -99.200 -91.000 TRP 215 1.040 31.829 9.405 -6.622 -99.200 -91.000 TRP6 215 1.020 31.267 11.660 -6.209 -99.200 -91.000 TYR 217 0.840 33.523 12.568 -1.824 -99.200 -91.000 PHE 221 1.000 20.802 5.400 -1.161 -99.200 -91.000 HIS 230 0.900 31.264 6.319 4.510 -99.200 -91.000 TYR 251 0.840 13.861 0.379 1.036 -99.200 -91.000 HIS 262 0.900 22.814 2.825 13.988 -99.200 -91.000 PHE 268 1.000 12.030 13.154 13.524 -99.200 -91.000 PHE 270 1.000 14.814 16.520 10.159 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ndhA1 PRO 3 HA -0.09 -0.14 0.23 -0.51 4.44 3.93 1ndhA1 PRO 3 HB2 -0.10 0.18 -0.00 -0.04 2.28 2.32 1ndhA1 PRO 3 HB3 -0.06 -0.04 0.06 -0.04 2.02 1.94 1ndhA1 PRO 3 HG2 -0.07 -0.04 -0.08 -0.04 2.03 1.80 1ndhA1 PRO 3 HG3 -0.05 0.02 -0.01 -0.04 2.03 1.94 1ndhA1 PRO 3 HD2 -0.06 -0.04 0.06 -0.04 3.68 3.60 1ndhA1 PRO 3 HD3 -0.05 -0.02 0.03 -0.04 3.65 3.57 1ndhA1 ALA 4 H -0.22 0.07 0.08 -0.55 8.40 7.78 1ndhA1 ALA 4 HA -0.17 -0.01 0.39 -0.75 4.34 3.80 1ndhA1 ALA 4 HB3 -0.68 0.01 0.00 -0.04 1.41 0.70 1ndhA1 ILE 5 H -0.10 0.06 0.17 -0.55 8.25 7.83 1ndhA1 ILE 5 HA -0.06 0.08 0.35 -0.75 4.18 3.80 1ndhA1 ILE 5 HB -0.04 -0.04 -0.04 -0.04 1.89 1.74 1ndhA1 ILE 5 HG12 -0.06 0.00 0.03 -0.04 1.49 1.42 1ndhA1 ILE 5 HG13 -0.04 0.01 -0.02 -0.04 1.21 1.13 1ndhA1 ILE 5 HG23 -0.05 -0.03 -0.26 -0.04 0.93 0.55 1ndhA1 ILE 5 HD13 -0.05 -0.01 -0.12 -0.04 0.88 0.66 1ndhA1 THR 6 H -0.04 0.40 0.14 -0.55 8.28 8.22 1ndhA1 THR 6 HA -0.03 0.06 0.71 -0.75 4.39 4.38 1ndhA1 THR 6 HB -0.19 0.02 0.16 -0.04 4.32 4.26 1ndhA1 THR 6 HG23 -0.33 -0.01 -0.06 -0.04 1.22 0.78 1ndhA1 LEU 7 H -0.18 0.56 0.16 -0.55 8.37 8.37 1ndhA1 LEU 7 HA -0.45 0.03 0.30 -0.75 4.35 3.47 1ndhA1 LEU 7 HB2 -0.06 0.10 0.12 -0.04 1.64 1.76 1ndhA1 LEU 7 HB3 -0.01 0.17 -0.18 -0.04 1.64 1.58 1ndhA1 LEU 7 HG -0.08 0.05 -0.12 -0.04 1.64 1.44 1ndhA1 LEU 7 HD13 0.03 -0.02 -0.28 -0.04 0.93 0.63 1ndhA1 LEU 7 HD23 -0.06 -0.03 -0.22 -0.04 0.89 0.55 1ndhA1 GLU 8 H -0.12 0.56 0.21 -0.55 8.60 8.70 1ndhA1 GLU 8 HA 0.01 0.09 0.50 -0.75 4.29 4.14 1ndhA1 GLU 8 HB2 0.12 -0.01 0.11 -0.04 2.09 2.27 1ndhA1 GLU 8 HB3 0.06 -0.06 0.05 -0.04 1.99 1.99 1ndhA1 GLU 8 HG2 0.00 -0.06 -0.12 -0.04 2.34 2.13 1ndhA1 GLU 8 HG3 0.03 0.20 -0.05 -0.04 2.34 2.48 1ndhA1 ASN 9 H 0.31 0.19 -0.05 -0.55 8.53 8.43 1ndhA1 ASN 9 HA 0.07 0.24 0.90 -0.75 4.76 5.23 1ndhA1 ASN 9 HB2 0.07 0.07 -0.10 -0.04 2.88 2.88 1ndhA1 ASN 9 HB3 0.11 -0.04 0.10 -0.04 2.79 2.92 1ndhA1 ASN 9 HD21 0.02 0.00 -0.04 -0.04 7.03 6.96 1ndhA1 ASN 9 HD22 0.03 0.02 -0.03 -0.04 7.74 7.72 1ndhA1 PRO 10 HA 0.12 0.37 0.47 -0.51 4.44 4.88 1ndhA1 PRO 10 HB2 0.06 -0.03 -0.04 -0.04 2.28 2.23 1ndhA1 PRO 10 HB3 0.05 0.19 -0.10 -0.04 2.02 2.12 1ndhA1 PRO 10 HG2 0.04 -0.06 0.03 -0.04 2.03 1.99 1ndhA1 PRO 10 HG3 0.04 0.04 0.06 -0.04 2.03 2.12 1ndhA1 PRO 10 HD2 0.05 0.03 0.26 -0.04 3.68 3.98 1ndhA1 PRO 10 HD3 0.05 0.27 0.15 -0.04 3.65 4.07 1ndhA1 ASP 11 H 0.05 0.03 -0.35 -0.55 8.40 7.58 1ndhA1 ASP 11 HA 0.03 0.20 0.74 -0.75 4.63 4.85 1ndhA1 ASP 11 HB2 0.01 -0.02 -0.03 -0.04 2.71 2.63 1ndhA1 ASP 11 HB3 0.00 -0.02 0.07 -0.04 2.70 2.71 1ndhA1 ILE 12 H 0.05 0.30 -0.16 -0.55 8.25 7.89 1ndhA1 ILE 12 HA -0.11 0.05 0.67 -0.75 4.18 4.04 1ndhA1 ILE 12 HB -0.13 0.13 0.11 -0.04 1.89 1.95 1ndhA1 ILE 12 HG12 -0.00 -0.14 -0.10 -0.04 1.49 1.20 1ndhA1 ILE 12 HG13 -0.02 0.00 -0.00 -0.04 1.21 1.15 1ndhA1 ILE 12 HG23 -0.43 0.02 -0.02 -0.04 0.93 0.46 1ndhA1 ILE 12 HD13 -0.06 0.03 -0.07 -0.04 0.88 0.74 1ndhA1 LYS 13 H -0.20 0.13 0.17 -0.55 8.42 7.97 1ndhA1 LYS 13 HA 0.02 0.28 0.75 -0.75 4.32 4.63 1ndhA1 LYS 13 HB2 -0.06 -0.04 0.07 -0.04 1.87 1.80 1ndhA1 LYS 13 HB3 -0.02 -0.05 -0.11 -0.04 1.79 1.58 1ndhA1 LYS 13 HG2 0.04 -0.04 -0.24 -0.04 1.46 1.18 1ndhA1 LYS 13 HG3 0.02 0.10 -0.26 -0.04 1.46 1.29 1ndhA1 LYS 13 HD2 -0.01 -0.01 -0.15 -0.04 1.69 1.48 1ndhA1 LYS 13 HD3 -0.02 0.04 -0.12 -0.04 1.68 1.54 1ndhA1 LYS 13 HE2 -0.02 -0.00 -0.06 -0.04 2.99 2.86 1ndhA1 LYS 13 HE3 -0.01 -0.02 -0.10 -0.04 2.99 2.82 1ndhA1 TYR 14 H 0.24 0.73 0.27 -0.55 8.29 8.98 1ndhA1 TYR 14 HA 0.02 0.21 1.00 -0.75 4.56 5.04 1ndhA1 TYR 14 HB2 0.02 -0.03 0.15 -0.04 3.06 3.16 1ndhA1 TYR 14 HB3 -0.04 0.05 -0.08 -0.04 2.98 2.87 1ndhA1 TYR 14 HD2 0.02 0.12 -0.00 -0.04 7.15 7.25 1ndhA1 TYR 14 HE2 0.03 0.09 0.02 -0.04 6.85 6.94 1ndhA1 PRO 15 HA 0.11 0.15 0.31 -0.51 4.44 4.50 1ndhA1 PRO 15 HB2 0.06 0.02 -0.05 -0.04 2.28 2.27 1ndhA1 PRO 15 HB3 0.06 -0.03 -0.05 -0.04 2.02 1.95 1ndhA1 PRO 15 HG2 0.04 0.04 0.11 -0.04 2.03 2.18 1ndhA1 PRO 15 HG3 0.02 0.02 0.05 -0.04 2.03 2.08 1ndhA1 PRO 15 HD2 0.04 0.13 0.25 -0.04 3.68 4.06 1ndhA1 PRO 15 HD3 0.00 0.17 0.05 -0.04 3.65 3.83 1ndhA1 LEU 16 H 0.09 0.45 0.45 -0.55 8.37 8.82 1ndhA1 LEU 16 HA -0.01 0.17 0.86 -0.75 4.35 4.62 1ndhA1 LEU 16 HB2 -0.45 0.02 0.10 -0.04 1.64 1.27 1ndhA1 LEU 16 HB3 -0.17 -0.02 -0.05 -0.04 1.64 1.36 1ndhA1 LEU 16 HG -0.19 0.26 0.08 -0.04 1.64 1.75 1ndhA1 LEU 16 HD13 -0.17 0.08 -0.31 -0.04 0.93 0.48 1ndhA1 LEU 16 HD23 -1.02 -0.05 -0.19 -0.04 0.89 -0.41 1ndhA1 ARG 17 H 0.09 0.22 0.16 -0.55 8.46 8.38 1ndhA1 ARG 17 HA 0.17 0.21 0.56 -0.75 4.34 4.53 1ndhA1 ARG 17 HB2 0.06 -0.09 -0.13 -0.04 1.90 1.71 1ndhA1 ARG 17 HB3 0.07 0.05 -0.08 -0.04 1.80 1.80 1ndhA1 ARG 17 HG2 0.05 0.10 -0.03 -0.04 1.67 1.74 1ndhA1 ARG 17 HG3 0.05 -0.04 -0.05 -0.04 1.67 1.60 1ndhA1 ARG 17 HD2 0.02 0.00 -0.02 -0.04 3.22 3.18 1ndhA1 ARG 17 HD3 0.03 -0.00 -0.02 -0.04 3.22 3.19 1ndhA1 LEU 18 H 0.13 0.76 0.25 -0.55 8.37 8.97 1ndhA1 LEU 18 HA -0.52 0.13 0.61 -0.75 4.35 3.82 1ndhA1 LEU 18 HB2 0.01 0.07 0.04 -0.04 1.64 1.72 1ndhA1 LEU 18 HB3 -0.02 -0.13 0.18 -0.04 1.64 1.63 1ndhA1 LEU 18 HG -0.14 -0.09 -0.31 -0.04 1.64 1.06 1ndhA1 LEU 18 HD13 -0.54 0.06 -0.02 -0.04 0.93 0.40 1ndhA1 LEU 18 HD23 0.06 -0.01 -0.29 -0.04 0.89 0.61 1ndhA1 ILE 19 H -0.17 0.53 0.43 -0.55 8.25 8.49 1ndhA1 ILE 19 HA -0.05 0.19 1.06 -0.75 4.18 4.62 1ndhA1 ILE 19 HB -0.04 -0.02 0.05 -0.04 1.89 1.84 1ndhA1 ILE 19 HG12 -0.04 0.04 -0.20 -0.04 1.49 1.25 1ndhA1 ILE 19 HG13 -0.08 -0.02 -0.24 -0.04 1.21 0.83 1ndhA1 ILE 19 HG23 -0.00 0.01 -0.12 -0.04 0.93 0.79 1ndhA1 ILE 19 HD13 -0.01 0.00 -0.14 -0.04 0.88 0.69 1ndhA1 ASP 20 H -0.16 0.42 0.28 -0.55 8.40 8.39 1ndhA1 ASP 20 HA -0.09 0.12 0.57 -0.75 4.63 4.48 1ndhA1 ASP 20 HB2 -0.10 0.12 -0.32 -0.04 2.71 2.36 1ndhA1 ASP 20 HB3 -0.12 -0.06 -0.08 -0.04 2.70 2.40 1ndhA1 LYS 21 H -0.11 0.25 0.09 -0.55 8.42 8.09 1ndhA1 LYS 21 HA -0.27 0.32 0.96 -0.75 4.32 4.57 1ndhA1 LYS 21 HB2 -0.10 0.03 -0.17 -0.04 1.87 1.59 1ndhA1 LYS 21 HB3 -0.10 -0.03 0.09 -0.04 1.79 1.70 1ndhA1 LYS 21 HG2 -0.25 -0.04 -0.34 -0.04 1.46 0.79 1ndhA1 LYS 21 HG3 -0.49 0.00 -0.06 -0.04 1.46 0.88 1ndhA1 LYS 21 HD2 -0.01 0.03 -0.07 -0.04 1.69 1.59 1ndhA1 LYS 21 HD3 -0.07 -0.06 -0.07 -0.04 1.68 1.43 1ndhA1 LYS 21 HE2 -0.01 -0.04 -0.02 -0.04 2.99 2.88 1ndhA1 LYS 21 HE3 -0.03 -0.11 -0.07 -0.04 2.99 2.74 1ndhA1 GLU 22 H -0.22 0.50 0.29 -0.55 8.60 8.62 1ndhA1 GLU 22 HA -0.11 0.19 0.78 -0.75 4.29 4.39 1ndhA1 GLU 22 HB2 -0.10 0.03 0.01 -0.04 2.09 1.99 1ndhA1 GLU 22 HB3 -0.11 -0.11 0.10 -0.04 1.99 1.83 1ndhA1 GLU 22 HG2 -0.08 -0.02 -0.63 -0.04 2.34 1.57 1ndhA1 GLU 22 HG3 -0.07 0.06 -0.05 -0.04 2.34 2.24 1ndhA1 VAL 23 H -0.09 0.25 0.10 -0.55 8.24 7.96 1ndhA1 VAL 23 HA -0.11 0.13 0.84 -0.75 4.13 4.25 1ndhA1 VAL 23 HB -0.10 0.06 0.12 -0.04 2.12 2.16 1ndhA1 VAL 23 HG13 -0.08 0.02 -0.00 -0.04 0.97 0.87 1ndhA1 VAL 23 HG23 -0.06 -0.00 -0.05 -0.04 0.95 0.80 1ndhA1 VAL 24 H -0.06 0.27 0.05 -0.55 8.24 7.94 1ndhA1 VAL 24 HA -0.07 0.15 0.54 -0.75 4.13 4.00 1ndhA1 VAL 24 HB -0.05 0.07 0.02 -0.04 2.12 2.12 1ndhA1 VAL 24 HG13 -0.01 0.03 -0.23 -0.04 0.97 0.71 1ndhA1 VAL 24 HG23 -0.00 -0.07 -0.06 -0.04 0.95 0.78 1ndhA1 ASN 25 H -0.02 0.13 0.12 -0.55 8.53 8.21 1ndhA1 ASN 25 HA -0.01 -0.28 0.35 -0.75 4.76 4.07 1ndhA1 ASN 25 HB2 -0.05 0.12 -0.50 -0.04 2.88 2.40 1ndhA1 ASN 25 HB3 -0.05 0.06 0.15 -0.04 2.79 2.91 1ndhA1 ASN 25 HD21 -0.03 0.01 -0.05 -0.04 7.03 6.91 1ndhA1 ASN 25 HD22 -0.03 0.06 -0.00 -0.04 7.74 7.73 1ndhA1 HIS 26 H 0.08 0.07 0.08 -0.55 8.41 8.10 1ndhA1 HIS 26 HA -0.02 0.18 0.24 -0.75 4.63 4.28 1ndhA1 HIS 26 HB2 -0.01 -0.06 -0.05 -0.04 3.26 3.09 1ndhA1 HIS 26 HB3 -0.02 0.23 0.07 -0.04 3.20 3.44 1ndhA1 HIS 26 HD2 0.01 0.40 -0.04 -0.04 6.97 7.30 1ndhA1 HIS 26 HE1 0.03 0.08 0.04 -0.04 7.75 7.86 1ndhA1 ASP 27 H 0.08 -1.15 -0.32 -0.55 8.40 6.46 1ndhA1 ASP 27 HA -0.01 0.13 0.24 -0.75 4.63 4.24 1ndhA1 ASP 27 HB2 -0.00 0.43 0.35 -0.04 2.71 3.45 1ndhA1 ASP 27 HB3 -0.02 -0.14 -0.34 -0.04 2.70 2.15 1ndhA1 THR 28 H 0.07 -1.22 0.16 -0.55 8.28 6.73 1ndhA1 THR 28 HA 0.06 0.50 0.77 -0.75 4.39 4.96 1ndhA1 THR 28 HB 0.18 -0.22 0.09 -0.04 4.32 4.33 1ndhA1 THR 28 HG23 0.16 0.07 -0.05 -0.04 1.22 1.36 1ndhA1 ARG 29 H 0.05 0.51 0.43 -0.55 8.46 8.89 1ndhA1 ARG 29 HA -0.15 0.18 1.06 -0.75 4.34 4.67 1ndhA1 ARG 29 HB2 -0.40 -0.04 -0.08 -0.04 1.90 1.34 1ndhA1 ARG 29 HB3 -0.68 0.14 0.09 -0.04 1.80 1.31 1ndhA1 ARG 29 HG2 0.01 -0.11 -0.35 -0.04 1.67 1.18 1ndhA1 ARG 29 HG3 0.05 0.05 -0.12 -0.04 1.67 1.61 1ndhA1 ARG 29 HD2 -0.23 0.07 -0.08 -0.04 3.22 2.94 1ndhA1 ARG 29 HD3 -0.13 -0.02 0.06 -0.04 3.22 3.09 1ndhA1 ARG 30 H -0.31 0.63 0.34 -0.55 8.46 8.57 1ndhA1 ARG 30 HA 0.01 0.24 0.97 -0.75 4.34 4.81 1ndhA1 ARG 30 HB2 -0.00 -0.04 0.02 -0.04 1.90 1.83 1ndhA1 ARG 30 HB3 -0.08 -0.06 0.12 -0.04 1.80 1.73 1ndhA1 ARG 30 HG2 -0.01 0.02 -0.28 -0.04 1.67 1.36 1ndhA1 ARG 30 HG3 0.07 0.05 -0.05 -0.04 1.67 1.70 1ndhA1 ARG 30 HD2 0.04 0.02 -0.13 -0.04 3.22 3.11 1ndhA1 ARG 30 HD3 0.04 -0.02 -0.09 -0.04 3.22 3.11 1ndhA1 PHE 31 H 0.23 0.72 0.34 -0.55 8.34 9.08 1ndhA1 PHE 31 HA -0.11 0.28 1.02 -0.75 4.62 5.06 1ndhA1 PHE 31 HB2 0.18 -0.07 0.05 -0.04 3.15 3.28 1ndhA1 PHE 31 HB3 -0.24 0.08 0.00 -0.04 3.06 2.86 1ndhA1 PHE 31 HD2 -0.02 0.03 -0.14 -0.04 7.28 7.11 1ndhA1 PHE 31 HE2 0.03 0.10 -0.23 -0.04 7.38 7.24 1ndhA1 PHE 31 HZ 0.08 0.01 -0.28 -0.04 7.32 7.09 1ndhA1 ARG 32 H -0.13 0.70 0.31 -0.55 8.46 8.79 1ndhA1 ARG 32 HA 0.12 0.27 1.04 -0.75 4.34 5.02 1ndhA1 ARG 32 HB2 -0.07 -0.05 -0.07 -0.04 1.90 1.67 1ndhA1 ARG 32 HB3 -0.11 -0.09 0.09 -0.04 1.80 1.64 1ndhA1 ARG 32 HG2 -0.08 -0.05 -0.22 -0.04 1.67 1.28 1ndhA1 ARG 32 HG3 0.04 0.19 0.01 -0.04 1.67 1.86 1ndhA1 ARG 32 HD2 -0.28 -0.04 -0.11 -0.04 3.22 2.75 1ndhA1 ARG 32 HD3 -0.56 0.04 -0.11 -0.04 3.22 2.54 1ndhA1 PHE 33 H 0.29 0.79 0.36 -0.55 8.34 9.22 1ndhA1 PHE 33 HA 0.07 0.12 1.05 -0.75 4.62 5.11 1ndhA1 PHE 33 HB2 0.02 0.01 -0.06 -0.04 3.15 3.08 1ndhA1 PHE 33 HB3 -0.05 0.08 -0.13 -0.04 3.06 2.91 1ndhA1 PHE 33 HD2 0.20 0.04 -0.52 -0.04 7.28 6.96 1ndhA1 PHE 33 HE2 0.09 -0.01 -0.20 -0.04 7.38 7.22 1ndhA1 PHE 33 HZ -0.08 -0.02 -0.15 -0.04 7.32 7.03 1ndhA1 ALA 34 H 0.14 0.54 0.28 -0.55 8.40 8.81 1ndhA1 ALA 34 HA 0.10 0.18 0.68 -0.75 4.34 4.55 1ndhA1 ALA 34 HB3 0.04 -0.02 0.08 -0.04 1.41 1.47 1ndhA1 LEU 35 H 0.03 0.35 0.01 -0.55 8.37 8.21 1ndhA1 LEU 35 HA -0.14 0.11 0.36 -0.75 4.35 3.93 1ndhA1 LEU 35 HB2 -0.00 0.02 -0.17 -0.04 1.64 1.44 1ndhA1 LEU 35 HB3 -0.06 0.04 -0.12 -0.04 1.64 1.45 1ndhA1 LEU 35 HG -0.02 -0.15 -0.60 -0.04 1.64 0.83 1ndhA1 LEU 35 HD13 -0.05 0.07 -0.60 -0.04 0.93 0.32 1ndhA1 LEU 35 HD23 -0.13 0.04 -0.37 -0.04 0.89 0.38 1ndhA1 PRO 36 HA -0.16 0.09 0.33 -0.51 4.44 4.20 1ndhA1 PRO 36 HB2 -1.02 -0.01 0.01 -0.04 2.28 1.22 1ndhA1 PRO 36 HB3 -0.24 0.03 0.10 -0.04 2.02 1.87 1ndhA1 PRO 36 HG2 -0.32 0.09 0.08 -0.04 2.03 1.84 1ndhA1 PRO 36 HG3 -0.17 0.09 0.06 -0.04 2.03 1.96 1ndhA1 PRO 36 HD2 -0.52 0.09 0.08 -0.04 3.68 3.30 1ndhA1 PRO 36 HD3 -0.23 0.13 0.14 -0.04 3.65 3.64 1ndhA1 SER 37 H -0.18 0.13 -0.42 -0.55 8.46 7.44 1ndhA1 SER 37 HA -0.01 0.20 0.48 -0.75 4.49 4.41 1ndhA1 SER 37 HB2 0.05 0.03 0.18 -0.04 3.95 4.17 1ndhA1 SER 37 HB3 0.03 0.16 -0.17 -0.04 3.93 3.90 1ndhA1 PRO 38 HA 0.06 0.12 0.43 -0.51 4.44 4.54 1ndhA1 PRO 38 HB2 0.04 0.02 0.04 -0.04 2.28 2.33 1ndhA1 PRO 38 HB3 0.04 0.06 0.11 -0.04 2.02 2.18 1ndhA1 PRO 38 HG2 0.03 0.05 0.08 -0.04 2.03 2.14 1ndhA1 PRO 38 HG3 0.03 0.07 0.08 -0.04 2.03 2.18 1ndhA1 PRO 38 HD2 0.04 0.10 0.18 -0.04 3.68 3.96 1ndhA1 PRO 38 HD3 0.03 0.20 0.24 -0.04 3.65 4.08 1ndhA1 GLU 39 H 0.10 0.07 -0.39 -0.55 8.60 7.83 1ndhA1 GLU 39 HA 0.02 0.30 0.99 -0.75 4.29 4.84 1ndhA1 GLU 39 HB2 0.02 -0.05 0.02 -0.04 2.09 2.04 1ndhA1 GLU 39 HB3 -0.01 0.00 0.16 -0.04 1.99 2.10 1ndhA1 GLU 39 HG2 0.02 -0.02 -0.42 -0.04 2.34 1.88 1ndhA1 GLU 39 HG3 0.01 -0.03 -0.07 -0.04 2.34 2.21 1ndhA1 HIS 40 H 0.14 0.33 -0.25 -0.55 8.41 8.08 1ndhA1 HIS 40 HA -0.04 0.32 0.72 -0.75 4.63 4.88 1ndhA1 HIS 40 HB2 -0.03 -0.03 0.03 -0.04 3.26 3.19 1ndhA1 HIS 40 HB3 -0.06 0.09 -0.15 -0.04 3.20 3.03 1ndhA1 HIS 40 HD2 -0.08 0.06 -0.52 -0.04 6.97 6.39 1ndhA1 HIS 40 HE1 -0.01 -0.01 -0.11 -0.04 7.75 7.58 1ndhA1 ILE 41 H -0.03 0.62 0.20 -0.55 8.25 8.49 1ndhA1 ILE 41 HA -0.07 0.07 0.71 -0.75 4.18 4.14 1ndhA1 ILE 41 HB -0.07 -0.11 0.14 -0.04 1.89 1.81 1ndhA1 ILE 41 HG12 -0.07 0.19 -0.18 -0.04 1.49 1.39 1ndhA1 ILE 41 HG13 -0.05 -0.15 -0.40 -0.04 1.21 0.57 1ndhA1 ILE 41 HG23 -0.06 0.08 -0.11 -0.04 0.93 0.80 1ndhA1 ILE 41 HD13 -0.05 -0.02 -0.05 -0.04 0.88 0.72 1ndhA1 LEU 42 H -0.07 0.16 0.03 -0.55 8.37 7.94 1ndhA1 LEU 42 HA -0.07 0.06 0.35 -0.75 4.35 3.93 1ndhA1 LEU 42 HB2 -0.06 -0.02 -0.11 -0.04 1.64 1.41 1ndhA1 LEU 42 HB3 -0.03 -0.07 -0.03 -0.04 1.64 1.47 1ndhA1 LEU 42 HG 0.00 -0.01 -0.31 -0.04 1.64 1.29 1ndhA1 LEU 42 HD13 0.05 0.04 -0.19 -0.04 0.93 0.79 1ndhA1 LEU 42 HD23 -0.04 0.00 -0.19 -0.04 0.89 0.62 1ndhA1 GLY 43 H -0.04 0.01 -0.02 -0.55 8.43 7.83 1ndhA1 GLY 43 HA2 -0.04 0.04 0.20 -0.51 4.01 3.70 1ndhA1 GLY 43 HA3 -0.04 0.17 0.66 -0.51 4.01 4.29 1ndhA1 LEU 44 H -0.02 0.03 -0.00 -0.55 8.37 7.82 1ndhA1 LEU 44 HA -0.01 0.27 0.86 -0.75 4.35 4.71 1ndhA1 LEU 44 HB2 0.01 0.03 -0.33 -0.04 1.64 1.31 1ndhA1 LEU 44 HB3 0.00 -0.12 0.00 -0.04 1.64 1.48 1ndhA1 LEU 44 HG 0.00 0.19 -0.13 -0.04 1.64 1.66 1ndhA1 LEU 44 HD13 -0.01 -0.03 -0.33 -0.04 0.93 0.52 1ndhA1 LEU 44 HD23 0.04 -0.01 0.00 -0.04 0.89 0.88 1ndhA1 PRO 45 HA -0.02 0.01 0.50 -0.51 4.44 4.42 1ndhA1 PRO 45 HB2 -0.00 0.04 -0.06 -0.04 2.28 2.21 1ndhA1 PRO 45 HB3 -0.02 0.06 0.05 -0.04 2.02 2.07 1ndhA1 PRO 45 HG2 -0.01 0.07 0.01 -0.04 2.03 2.06 1ndhA1 PRO 45 HG3 -0.02 0.01 -0.01 -0.04 2.03 1.97 1ndhA1 PRO 45 HD2 -0.01 0.09 0.16 -0.04 3.68 3.87 1ndhA1 PRO 45 HD3 -0.01 0.33 -0.00 -0.04 3.65 3.92 1ndhA1 VAL 46 H 0.00 0.15 0.22 -0.55 8.24 8.06 1ndhA1 VAL 46 HA 0.03 0.10 0.55 -0.75 4.13 4.05 1ndhA1 VAL 46 HB 0.08 0.05 0.20 -0.04 2.12 2.41 1ndhA1 VAL 46 HG13 0.06 0.01 -0.11 -0.04 0.97 0.88 1ndhA1 VAL 46 HG23 0.02 0.01 0.10 -0.04 0.95 1.03 1ndhA1 GLY 47 H 0.07 0.23 0.20 -0.55 8.43 8.38 1ndhA1 GLY 47 HA2 0.28 -0.02 0.27 -0.51 4.01 4.04 1ndhA1 GLY 47 HA3 0.17 0.10 0.52 -0.51 4.01 4.30 1ndhA1 GLN 48 H 0.06 0.36 -0.08 -0.55 8.47 8.26 1ndhA1 GLN 48 HA 0.09 0.14 0.94 -0.75 4.36 4.79 1ndhA1 GLN 48 HB2 0.00 0.11 0.04 -0.04 2.15 2.26 1ndhA1 GLN 48 HB3 -0.07 -0.06 0.13 -0.04 2.02 1.98 1ndhA1 GLN 48 HG2 0.02 -0.01 -0.20 -0.04 2.40 2.17 1ndhA1 GLN 48 HG3 0.04 0.05 -0.25 -0.04 2.39 2.20 1ndhA1 GLN 48 HE21 0.00 -0.06 -0.21 -0.04 6.97 6.66 1ndhA1 GLN 48 HE22 0.01 0.21 -0.30 -0.04 7.69 7.55 1ndhA1 HIS 49 H -0.37 0.63 0.40 -0.55 8.41 8.52 1ndhA1 HIS 49 HA -0.04 0.21 1.01 -0.75 4.63 5.06 1ndhA1 HIS 49 HB2 -0.15 -0.04 0.02 -0.04 3.26 3.06 1ndhA1 HIS 49 HB3 -0.10 -0.02 -0.11 -0.04 3.20 2.93 1ndhA1 HIS 49 HD2 -0.63 0.18 -0.22 -0.04 6.97 6.26 1ndhA1 HIS 49 HE1 0.05 -0.04 -0.10 -0.04 7.75 7.61 1ndhA1 ILE 50 H 0.07 0.54 0.38 -0.55 8.25 8.69 1ndhA1 ILE 50 HA -0.03 0.27 0.95 -0.75 4.18 4.62 1ndhA1 ILE 50 HB 0.06 0.05 0.16 -0.04 1.89 2.12 1ndhA1 ILE 50 HG12 0.12 -0.08 -0.06 -0.04 1.49 1.43 1ndhA1 ILE 50 HG13 0.07 0.33 0.21 -0.04 1.21 1.79 1ndhA1 ILE 50 HG23 0.10 -0.02 -0.17 -0.04 0.93 0.80 1ndhA1 ILE 50 HD13 -0.09 -0.07 -0.30 -0.04 0.88 0.38 1ndhA1 TYR 51 H 0.09 0.60 0.44 -0.55 8.29 8.87 1ndhA1 TYR 51 HA 0.04 0.18 0.96 -0.75 4.56 4.98 1ndhA1 TYR 51 HB2 0.03 -0.01 0.03 -0.04 3.06 3.07 1ndhA1 TYR 51 HB3 0.01 0.00 -0.12 -0.04 2.98 2.83 1ndhA1 TYR 51 HD2 0.02 0.01 -0.28 -0.04 7.15 6.86 1ndhA1 TYR 51 HE2 0.03 -0.01 -0.11 -0.04 6.85 6.72 1ndhA1 LEU 52 H 0.16 0.58 0.39 -0.55 8.37 8.94 1ndhA1 LEU 52 HA -0.19 0.45 0.84 -0.75 4.35 4.70 1ndhA1 LEU 52 HB2 0.03 -0.03 0.06 -0.04 1.64 1.66 1ndhA1 LEU 52 HB3 -0.13 -0.04 -0.09 -0.04 1.64 1.35 1ndhA1 LEU 52 HG -0.56 -0.00 -0.12 -0.04 1.64 0.92 1ndhA1 LEU 52 HD13 -1.26 0.03 -0.19 -0.04 0.93 -0.53 1ndhA1 LEU 52 HD23 -0.52 -0.02 -0.16 -0.04 0.89 0.14 1ndhA1 SER 53 H -0.03 0.42 0.27 -0.55 8.46 8.57 1ndhA1 SER 53 HA -0.04 0.30 1.06 -0.75 4.49 5.06 1ndhA1 SER 53 HB2 -0.04 0.01 -0.00 -0.04 3.95 3.88 1ndhA1 SER 53 HB3 -0.02 -0.00 -0.16 -0.04 3.93 3.71 1ndhA1 ALA 54 H -0.11 0.71 0.40 -0.55 8.40 8.85 1ndhA1 ALA 54 HA -0.11 0.11 0.57 -0.75 4.34 4.16 1ndhA1 ALA 54 HB3 -0.45 0.02 -0.04 -0.04 1.41 0.90 1ndhA1 ARG 55 H -0.15 0.22 0.13 -0.55 8.46 8.10 1ndhA1 ARG 55 HA -0.09 0.21 0.55 -0.75 4.34 4.25 1ndhA1 ARG 55 HB2 -0.04 0.00 0.01 -0.04 1.90 1.83 1ndhA1 ARG 55 HB3 -0.04 -0.02 0.09 -0.04 1.80 1.80 1ndhA1 ARG 55 HG2 -0.03 -0.13 -0.26 -0.04 1.67 1.21 1ndhA1 ARG 55 HG3 -0.04 0.03 -0.35 -0.04 1.67 1.27 1ndhA1 ARG 55 HD2 -0.01 0.06 -0.13 -0.04 3.22 3.09 1ndhA1 ARG 55 HD3 -0.02 0.01 -0.11 -0.04 3.22 3.06 1ndhA1 ILE 56 H -0.11 1.03 0.24 -0.55 8.25 8.87 1ndhA1 ILE 56 HA -0.09 0.12 0.85 -0.75 4.18 4.31 1ndhA1 ILE 56 HB -0.13 0.01 -0.01 -0.04 1.89 1.72 1ndhA1 ILE 56 HG12 -0.72 0.05 -0.09 -0.04 1.49 0.69 1ndhA1 ILE 56 HG13 -0.62 -0.08 -0.78 -0.04 1.21 -0.30 1ndhA1 ILE 56 HG23 0.01 0.01 -0.09 -0.04 0.93 0.82 1ndhA1 ILE 56 HD13 -0.29 0.01 -0.24 -0.04 0.88 0.32 1ndhA1 ASP 57 H 0.02 0.21 0.09 -0.55 8.40 8.17 1ndhA1 ASP 57 HA 0.02 0.05 0.27 -0.75 4.63 4.22 1ndhA1 ASP 57 HB2 0.00 0.09 -0.05 -0.04 2.71 2.71 1ndhA1 ASP 57 HB3 0.02 0.03 0.12 -0.04 2.70 2.83 1ndhA1 GLY 58 H -0.01 0.04 -0.41 -0.55 8.43 7.51 1ndhA1 GLY 58 HA2 -0.01 -0.03 0.17 -0.51 4.01 3.63 1ndhA1 GLY 58 HA3 -0.01 0.07 0.37 -0.51 4.01 3.94 1ndhA1 ASN 59 H -0.03 0.50 -0.26 -0.55 8.53 8.19 1ndhA1 ASN 59 HA -0.03 0.13 0.87 -0.75 4.76 4.97 1ndhA1 ASN 59 HB2 -0.03 0.06 -0.01 -0.04 2.88 2.86 1ndhA1 ASN 59 HB3 -0.03 0.04 0.02 -0.04 2.79 2.78 1ndhA1 ASN 59 HD21 -0.02 -0.04 0.02 -0.04 7.03 6.96 1ndhA1 ASN 59 HD22 -0.02 -0.04 0.16 -0.04 7.74 7.79 1ndhA1 LEU 60 H -0.04 0.14 0.17 -0.55 8.37 8.10 1ndhA1 LEU 60 HA -0.07 0.16 0.64 -0.75 4.35 4.32 1ndhA1 LEU 60 HB2 -0.04 -0.01 0.06 -0.04 1.64 1.61 1ndhA1 LEU 60 HB3 -0.05 -0.03 0.16 -0.04 1.64 1.68 1ndhA1 LEU 60 HG -0.06 -0.03 -0.49 -0.04 1.64 1.02 1ndhA1 LEU 60 HD13 -0.06 0.03 -0.10 -0.04 0.93 0.77 1ndhA1 LEU 60 HD23 -0.05 -0.00 -0.08 -0.04 0.89 0.72 1ndhA1 VAL 61 H -0.10 1.00 0.52 -0.55 8.24 9.11 1ndhA1 VAL 61 HA -0.06 0.15 0.85 -0.75 4.13 4.32 1ndhA1 VAL 61 HB -0.05 0.07 0.10 -0.04 2.12 2.20 1ndhA1 VAL 61 HG13 -0.09 0.01 -0.19 -0.04 0.97 0.66 1ndhA1 VAL 61 HG23 -0.05 -0.04 -0.11 -0.04 0.95 0.72 1ndhA1 ILE 62 H -0.04 0.22 0.19 -0.55 8.25 8.07 1ndhA1 ILE 62 HA -0.00 0.30 1.08 -0.75 4.18 4.80 1ndhA1 ILE 62 HB -0.10 -0.03 0.05 -0.04 1.89 1.77 1ndhA1 ILE 62 HG12 -0.08 0.04 -0.11 -0.04 1.49 1.30 1ndhA1 ILE 62 HG13 -0.07 -0.12 -0.58 -0.04 1.21 0.40 1ndhA1 ILE 62 HG23 -0.13 0.02 -0.18 -0.04 0.93 0.60 1ndhA1 ILE 62 HD13 -0.13 0.01 -0.11 -0.04 0.88 0.61 1ndhA1 ARG 63 H 0.13 0.60 0.37 -0.55 8.46 9.01 1ndhA1 ARG 63 HA 0.04 0.18 0.88 -0.75 4.34 4.68 1ndhA1 ARG 63 HB2 0.16 -0.03 -0.02 -0.04 1.90 1.96 1ndhA1 ARG 63 HB3 -0.19 0.10 0.04 -0.04 1.80 1.71 1ndhA1 ARG 63 HG2 0.02 -0.09 -0.52 -0.04 1.67 1.04 1ndhA1 ARG 63 HG3 0.06 -0.17 -0.08 -0.04 1.67 1.44 1ndhA1 ARG 63 HD2 -0.06 0.01 0.05 -0.04 3.22 3.18 1ndhA1 ARG 63 HD3 -0.03 0.21 0.11 -0.04 3.22 3.46 1ndhA1 PRO 64 HA -0.32 0.44 0.94 -0.51 4.44 4.98 1ndhA1 PRO 64 HB2 -0.73 0.04 0.04 -0.04 2.28 1.59 1ndhA1 PRO 64 HB3 -0.57 0.03 0.06 -0.04 2.02 1.50 1ndhA1 PRO 64 HG2 -0.35 -0.01 0.11 -0.04 2.03 1.74 1ndhA1 PRO 64 HG3 -0.21 0.05 0.09 -0.04 2.03 1.92 1ndhA1 PRO 64 HD2 -0.24 0.03 0.27 -0.04 3.68 3.70 1ndhA1 PRO 64 HD3 -0.00 0.15 0.24 -0.04 3.65 4.00 1ndhA1 TYR 65 H -0.10 0.69 0.34 -0.55 8.29 8.67 1ndhA1 TYR 65 HA -0.08 0.10 0.79 -0.75 4.56 4.62 1ndhA1 TYR 65 HB2 -0.11 -0.01 -0.14 -0.04 3.06 2.77 1ndhA1 TYR 65 HB3 -0.03 -0.01 -0.17 -0.04 2.98 2.74 1ndhA1 TYR 65 HD2 -0.06 0.02 -0.15 -0.04 7.15 6.91 1ndhA1 TYR 65 HE2 -0.02 -0.05 -0.10 -0.04 6.85 6.64 1ndhA1 THR 66 H 0.04 0.17 0.12 -0.55 8.28 8.06 1ndhA1 THR 66 HA 0.04 0.20 0.84 -0.75 4.39 4.72 1ndhA1 THR 66 HB -0.06 -0.15 -0.07 -0.04 4.32 4.00 1ndhA1 THR 66 HG23 -0.06 0.11 -0.07 -0.04 1.22 1.15 1ndhA1 PRO 67 HA 0.12 -0.02 0.62 -0.51 4.44 4.65 1ndhA1 PRO 67 HB2 0.08 0.12 0.05 -0.04 2.28 2.49 1ndhA1 PRO 67 HB3 0.15 -0.03 0.15 -0.04 2.02 2.25 1ndhA1 PRO 67 HG2 0.09 0.06 0.05 -0.04 2.03 2.18 1ndhA1 PRO 67 HG3 0.15 0.01 0.01 -0.04 2.03 2.15 1ndhA1 PRO 67 HD2 0.05 0.19 0.26 -0.04 3.68 4.14 1ndhA1 PRO 67 HD3 0.08 0.25 0.35 -0.04 3.65 4.29 1ndhA1 VAL 68 H 0.11 0.52 0.41 -0.55 8.24 8.73 1ndhA1 VAL 68 HA 0.04 0.15 0.66 -0.75 4.13 4.22 1ndhA1 VAL 68 HB 0.10 -0.12 0.01 -0.04 2.12 2.07 1ndhA1 VAL 68 HG13 0.10 -0.03 -0.21 -0.04 0.97 0.80 1ndhA1 VAL 68 HG23 0.05 0.01 -0.00 -0.04 0.95 0.96 1ndhA1 SER 69 H 0.10 -0.03 0.16 -0.55 8.46 8.14 1ndhA1 SER 69 HA 0.07 0.10 0.44 -0.75 4.49 4.35 1ndhA1 SER 69 HB2 -0.14 -0.06 -0.12 -0.04 3.95 3.58 1ndhA1 SER 69 HB3 0.19 -0.04 -0.06 -0.04 3.93 3.98 1ndhA1 SER 70 H -0.08 0.05 0.18 -0.55 8.46 8.06 1ndhA1 SER 70 HA -0.03 0.34 0.82 -0.75 4.49 4.87 1ndhA1 SER 70 HB2 -0.03 0.08 0.14 -0.04 3.95 4.10 1ndhA1 SER 70 HB3 -0.02 0.16 -0.12 -0.04 3.93 3.91 1ndhA1 ASP 71 H -0.04 0.28 0.18 -0.55 8.40 8.28 1ndhA1 ASP 71 HA -0.07 -0.03 0.45 -0.75 4.63 4.22 1ndhA1 ASP 71 HB2 -0.04 0.08 0.14 -0.04 2.71 2.85 1ndhA1 ASP 71 HB3 -0.05 0.11 0.15 -0.04 2.70 2.87 1ndhA1 ASP 72 H -0.06 -0.11 -0.53 -0.55 8.40 7.16 1ndhA1 ASP 72 HA -0.04 0.16 0.53 -0.75 4.63 4.52 1ndhA1 ASP 72 HB2 -0.03 -0.07 -0.01 -0.04 2.71 2.56 1ndhA1 ASP 72 HB3 -0.02 0.03 0.02 -0.04 2.70 2.68 1ndhA1 ASP 73 H -0.12 0.07 -0.17 -0.55 8.40 7.63 1ndhA1 ASP 73 HA -0.15 0.08 0.43 -0.75 4.63 4.23 1ndhA1 ASP 73 HB2 -0.40 0.17 0.20 -0.04 2.71 2.63 1ndhA1 ASP 73 HB3 -1.11 -0.05 0.06 -0.04 2.70 1.56 1ndhA1 LYS 74 H -0.18 0.25 0.18 -0.55 8.42 8.11 1ndhA1 LYS 74 HA -0.10 0.26 0.76 -0.75 4.32 4.49 1ndhA1 LYS 74 HB2 0.01 -0.06 0.08 -0.04 1.87 1.85 1ndhA1 LYS 74 HB3 -0.01 0.05 -0.00 -0.04 1.79 1.79 1ndhA1 LYS 74 HG2 -0.05 0.19 -0.13 -0.04 1.46 1.43 1ndhA1 LYS 74 HG3 -0.03 0.03 -0.22 -0.04 1.46 1.20 1ndhA1 LYS 74 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 1ndhA1 LYS 74 HD3 -0.03 0.04 -0.10 -0.04 1.68 1.55 1ndhA1 LYS 74 HE2 -0.01 -0.05 -0.02 -0.04 2.99 2.88 1ndhA1 LYS 74 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 1ndhA1 GLY 75 H -0.02 0.97 0.24 -0.55 8.43 9.07 1ndhA1 GLY 75 HA2 0.06 0.27 0.39 -0.51 4.01 4.22 1ndhA1 GLY 75 HA3 0.10 0.08 0.47 -0.51 4.01 4.15 1ndhA1 PHE 76 H -0.23 -0.34 -0.27 -0.55 8.34 6.94 1ndhA1 PHE 76 HA 0.01 0.30 0.74 -0.75 4.62 4.92 1ndhA1 PHE 76 HB2 0.03 0.12 0.10 -0.04 3.15 3.36 1ndhA1 PHE 76 HB3 0.01 0.11 -0.17 -0.04 3.06 2.97 1ndhA1 PHE 76 HD2 0.03 0.11 -0.29 -0.04 7.28 7.09 1ndhA1 PHE 76 HE2 0.02 0.01 -0.09 -0.04 7.38 7.29 1ndhA1 PHE 76 HZ 0.02 0.02 -0.06 -0.04 7.32 7.26 1ndhA1 VAL 77 H -0.47 -0.28 -0.06 -0.55 8.24 6.88 1ndhA1 VAL 77 HA -0.52 0.05 0.17 -0.75 4.13 3.07 1ndhA1 VAL 77 HB -0.12 -0.01 -0.07 -0.04 2.12 1.88 1ndhA1 VAL 77 HG13 -0.11 0.20 0.08 -0.04 0.97 1.10 1ndhA1 VAL 77 HG23 -0.22 -0.08 -0.31 -0.04 0.95 0.30 1ndhA1 ASP 78 H -0.01 0.81 3.01 -0.55 8.40 11.66 1ndhA1 ASP 78 HA 0.15 -0.24 0.72 -0.75 4.63 4.50 1ndhA1 ASP 78 HB2 0.03 -0.02 -0.18 -0.04 2.71 2.50 1ndhA1 ASP 78 HB3 0.27 -0.03 -0.12 -0.04 2.70 2.78 1ndhA1 LEU 79 H 0.21 0.14 0.22 -0.55 8.37 8.39 1ndhA1 LEU 79 HA 0.27 0.40 0.97 -0.75 4.35 5.24 1ndhA1 LEU 79 HB2 0.27 -0.09 0.03 -0.04 1.64 1.81 1ndhA1 LEU 79 HB3 0.17 -0.02 -0.09 -0.04 1.64 1.66 1ndhA1 LEU 79 HG 0.09 0.00 -0.12 -0.04 1.64 1.57 1ndhA1 LEU 79 HD13 0.29 0.03 -0.09 -0.04 0.93 1.12 1ndhA1 LEU 79 HD23 0.18 -0.01 -0.12 -0.04 0.89 0.90 1ndhA1 VAL 80 H 0.29 0.64 0.34 -0.55 8.24 8.96 1ndhA1 VAL 80 HA 0.16 0.12 0.91 -0.75 4.13 4.57 1ndhA1 VAL 80 HB 0.11 0.06 -0.01 -0.04 2.12 2.24 1ndhA1 VAL 80 HG13 0.13 0.03 -0.22 -0.04 0.97 0.86 1ndhA1 VAL 80 HG23 0.19 -0.00 -0.22 -0.04 0.95 0.87 1ndhA1 ILE 81 H 0.14 0.29 0.16 -0.55 8.25 8.29 1ndhA1 ILE 81 HA 0.12 0.21 0.99 -0.75 4.18 4.75 1ndhA1 ILE 81 HB 0.09 0.05 0.15 -0.04 1.89 2.13 1ndhA1 ILE 81 HG12 0.09 0.02 -0.10 -0.04 1.49 1.46 1ndhA1 ILE 81 HG13 0.09 -0.01 -0.02 -0.04 1.21 1.23 1ndhA1 ILE 81 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.80 1ndhA1 ILE 81 HD13 0.07 0.03 -0.03 -0.04 0.88 0.91 1ndhA1 LYS 82 H 0.16 0.65 0.27 -0.55 8.42 8.95 1ndhA1 LYS 82 HA 0.16 0.16 0.98 -0.75 4.32 4.87 1ndhA1 LYS 82 HB2 0.38 0.01 -0.23 -0.04 1.87 1.99 1ndhA1 LYS 82 HB3 0.46 -0.04 -0.03 -0.04 1.79 2.13 1ndhA1 LYS 82 HG2 0.13 0.02 -0.15 -0.04 1.46 1.42 1ndhA1 LYS 82 HG3 0.17 0.10 -0.36 -0.04 1.46 1.33 1ndhA1 LYS 82 HD2 0.06 -0.05 -0.09 -0.04 1.69 1.57 1ndhA1 LYS 82 HD3 0.20 0.01 0.04 -0.04 1.68 1.90 1ndhA1 LYS 82 HE2 -0.29 0.00 -0.21 -0.04 2.99 2.46 1ndhA1 LYS 82 HE3 -1.10 0.03 -0.16 -0.04 2.99 1.72 1ndhA1 VAL 83 H 0.10 0.19 0.16 -0.55 8.24 8.14 1ndhA1 VAL 83 HA -0.04 0.07 0.51 -0.75 4.13 3.91 1ndhA1 VAL 83 HB -0.10 -0.02 0.13 -0.04 2.12 2.09 1ndhA1 VAL 83 HG13 -0.47 0.01 -0.14 -0.04 0.97 0.33 1ndhA1 VAL 83 HG23 -0.03 -0.01 -0.08 -0.04 0.95 0.80 1ndhA1 TYR 84 H 0.02 0.48 0.19 -0.55 8.29 8.43 1ndhA1 TYR 84 HA 0.01 -0.01 0.74 -0.75 4.56 4.55 1ndhA1 TYR 84 HB2 0.06 0.02 -0.13 -0.04 3.06 2.98 1ndhA1 TYR 84 HB3 -0.02 0.16 0.10 -0.04 2.98 3.18 1ndhA1 TYR 84 HD2 0.03 -0.03 -0.64 -0.04 7.15 6.48 1ndhA1 TYR 84 HE2 0.02 0.03 -0.15 -0.04 6.85 6.71 1ndhA1 PHE 85 H 0.05 0.08 0.05 -0.55 8.34 7.97 1ndhA1 PHE 85 HA 0.09 0.17 0.77 -0.75 4.62 4.90 1ndhA1 PHE 85 HB2 -0.04 -0.15 0.20 -0.04 3.15 3.12 1ndhA1 PHE 85 HB3 0.00 0.12 0.02 -0.04 3.06 3.16 1ndhA1 PHE 85 HD2 -0.00 -0.01 -0.01 -0.04 7.28 7.22 1ndhA1 PHE 85 HE2 0.01 0.01 -0.02 -0.04 7.38 7.34 1ndhA1 PHE 85 HZ 0.01 -0.06 -0.01 -0.04 7.32 7.22 1ndhA1 LYS 86 H 0.12 0.23 0.09 -0.55 8.42 8.30 1ndhA1 LYS 86 HA 0.54 0.00 0.42 -0.75 4.32 4.53 1ndhA1 LYS 86 HB2 -0.51 -0.05 0.13 -0.04 1.87 1.40 1ndhA1 LYS 86 HB3 -0.90 0.24 -0.05 -0.04 1.79 1.05 1ndhA1 LYS 86 HG2 -0.25 0.04 0.00 -0.04 1.46 1.22 1ndhA1 LYS 86 HG3 -0.19 -0.04 0.01 -0.04 1.46 1.21 1ndhA1 LYS 86 HD2 -0.34 -0.01 -0.07 -0.04 1.69 1.23 1ndhA1 LYS 86 HD3 -0.26 0.01 0.00 -0.04 1.68 1.39 1ndhA1 LYS 86 HE2 -0.46 0.02 -0.04 -0.04 2.99 2.47 1ndhA1 LYS 86 HE3 -1.46 0.00 -0.07 -0.04 2.99 1.42 1ndhA1 ASP 87 H 0.12 0.05 0.11 -0.55 8.40 8.14 1ndhA1 ASP 87 HA 0.09 0.16 0.55 -0.75 4.63 4.68 1ndhA1 ASP 87 HB2 0.08 0.30 0.42 -0.04 2.71 3.47 1ndhA1 ASP 87 HB3 0.08 0.10 -0.28 -0.04 2.70 2.57 1ndhA1 THR 88 H 0.11 0.66 0.26 -0.55 8.28 8.76 1ndhA1 THR 88 HA 0.12 0.01 0.28 -0.75 4.39 4.05 1ndhA1 THR 88 HB 0.13 0.02 -0.57 -0.04 4.32 3.86 1ndhA1 THR 88 HG23 0.10 -0.01 0.05 -0.04 1.22 1.33 1ndhA1 HIS 89 H 0.24 0.15 -0.47 -0.55 8.41 7.78 1ndhA1 HIS 89 HA 0.05 0.16 0.71 -0.75 4.63 4.80 1ndhA1 HIS 89 HB2 0.09 0.12 -0.03 -0.04 3.26 3.40 1ndhA1 HIS 89 HB3 0.05 -0.07 0.19 -0.04 3.20 3.33 1ndhA1 HIS 89 HD2 0.05 0.10 -0.53 -0.04 6.97 6.55 1ndhA1 HIS 89 HE1 -0.02 -0.03 0.01 -0.04 7.75 7.66 1ndhA1 PRO 90 HA 0.09 0.08 0.23 -0.51 4.44 4.33 1ndhA1 PRO 90 HB2 0.05 0.00 -0.10 -0.04 2.28 2.19 1ndhA1 PRO 90 HB3 0.05 0.03 0.10 -0.04 2.02 2.15 1ndhA1 PRO 90 HG2 0.09 0.02 0.09 -0.04 2.03 2.18 1ndhA1 PRO 90 HG3 0.06 0.05 0.10 -0.04 2.03 2.19 1ndhA1 PRO 90 HD2 0.26 0.15 0.16 -0.04 3.68 4.21 1ndhA1 PRO 90 HD3 0.12 0.17 0.20 -0.04 3.65 4.10 1ndhA1 LYS 91 H 0.14 0.11 -0.40 -0.55 8.42 7.71 1ndhA1 LYS 91 HA -0.01 0.02 0.67 -0.75 4.32 4.25 1ndhA1 LYS 91 HB2 0.05 0.03 0.05 -0.04 1.87 1.97 1ndhA1 LYS 91 HB3 -0.17 0.02 -0.05 -0.04 1.79 1.55 1ndhA1 LYS 91 HG2 0.03 -0.04 -0.05 -0.04 1.46 1.36 1ndhA1 LYS 91 HG3 -0.04 0.00 -0.04 -0.04 1.46 1.34 1ndhA1 LYS 91 HD2 -0.07 0.14 -0.50 -0.04 1.69 1.22 1ndhA1 LYS 91 HD3 -0.04 0.01 -0.15 -0.04 1.68 1.46 1ndhA1 LYS 91 HE2 -0.18 -0.01 -0.04 -0.04 2.99 2.72 1ndhA1 LYS 91 HE3 -0.39 -0.01 -0.03 -0.04 2.99 2.52 1ndhA1 PHE 92 H 0.29 0.12 0.14 -0.55 8.34 8.34 1ndhA1 PHE 92 HA 0.03 0.09 0.41 -0.75 4.62 4.40 1ndhA1 PHE 92 HB2 0.01 -0.01 0.08 -0.04 3.15 3.18 1ndhA1 PHE 92 HB3 0.01 0.02 0.14 -0.04 3.06 3.19 1ndhA1 PHE 92 HD2 0.01 0.03 0.12 -0.04 7.28 7.41 1ndhA1 PHE 92 HE2 0.01 0.05 0.05 -0.04 7.38 7.45 1ndhA1 PHE 92 HZ 0.01 0.00 0.03 -0.04 7.32 7.32 1ndhA1 PRO 93 HA 0.10 0.01 0.49 -0.51 4.44 4.54 1ndhA1 PRO 93 HB2 0.06 -0.04 0.11 -0.04 2.28 2.37 1ndhA1 PRO 93 HB3 0.05 0.07 0.04 -0.04 2.02 2.14 1ndhA1 PRO 93 HG2 -0.00 0.05 0.08 -0.04 2.03 2.12 1ndhA1 PRO 93 HG3 0.05 0.07 0.10 -0.04 2.03 2.21 1ndhA1 PRO 93 HD2 0.09 0.09 0.21 -0.04 3.68 4.03 1ndhA1 PRO 93 HD3 0.14 0.17 0.11 -0.04 3.65 4.03 1ndhA1 ALA 94 H 0.07 0.10 -0.02 -0.55 8.40 8.01 1ndhA1 ALA 94 HA 0.06 0.05 0.61 -0.75 4.34 4.32 1ndhA1 ALA 94 HB3 0.04 0.00 0.06 -0.04 1.41 1.47 1ndhA1 GLY 95 H 0.09 0.48 -0.16 -0.55 8.43 8.29 1ndhA1 GLY 95 HA2 0.09 0.10 0.05 -0.51 4.01 3.75 1ndhA1 GLY 95 HA3 0.08 0.07 0.13 -0.51 4.01 3.78 1ndhA1 GLY 96 H 0.05 0.49 0.30 -0.55 8.43 8.72 1ndhA1 GLY 96 HA2 -0.05 0.18 0.83 -0.51 4.01 4.46 1ndhA1 GLY 96 HA3 -0.02 -0.10 0.33 -0.51 4.01 3.72 1ndhA1 LYS 97 H -0.03 0.15 0.13 -0.55 8.42 8.11 1ndhA1 LYS 97 HA -0.01 0.19 0.35 -0.75 4.32 4.09 1ndhA1 LYS 97 HB2 -0.03 -0.04 0.16 -0.04 1.87 1.91 1ndhA1 LYS 97 HB3 -0.04 0.04 -0.04 -0.04 1.79 1.71 1ndhA1 LYS 97 HG2 -0.01 0.04 -0.04 -0.04 1.46 1.40 1ndhA1 LYS 97 HG3 -0.02 0.03 -0.00 -0.04 1.46 1.42 1ndhA1 LYS 97 HD2 -0.03 0.01 -0.00 -0.04 1.69 1.63 1ndhA1 LYS 97 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.55 1ndhA1 LYS 97 HE2 -0.02 0.00 -0.05 -0.04 2.99 2.89 1ndhA1 LYS 97 HE3 -0.03 0.02 -0.04 -0.04 2.99 2.90 1ndhA1 MET 98 H 0.01 0.12 0.02 -0.55 8.47 8.07 1ndhA1 MET 98 HA 0.03 0.14 0.38 -0.75 4.52 4.32 1ndhA1 MET 98 HB2 0.04 0.04 -0.05 -0.04 2.15 2.15 1ndhA1 MET 98 HB3 0.12 -0.02 -0.02 -0.04 2.03 2.08 1ndhA1 MET 98 HG2 0.17 0.08 -0.18 -0.04 2.63 2.65 1ndhA1 MET 98 HG3 0.00 -0.03 -0.46 -0.04 2.56 2.03 1ndhA1 MET 98 HE3 0.02 0.01 -0.28 -0.04 2.10 1.80 1ndhA1 SER 99 H 0.02 0.05 -0.19 -0.55 8.46 7.79 1ndhA1 SER 99 HA -0.03 0.11 0.37 -0.75 4.49 4.18 1ndhA1 SER 99 HB2 -0.17 0.00 0.03 -0.04 3.95 3.77 1ndhA1 SER 99 HB3 0.11 0.14 0.12 -0.04 3.93 4.27 1ndhA1 GLN 100 H -0.29 0.31 -0.25 -0.55 8.47 7.70 1ndhA1 GLN 100 HA -0.81 0.02 0.24 -0.75 4.36 3.07 1ndhA1 GLN 100 HB2 -0.06 0.15 0.09 -0.04 2.15 2.29 1ndhA1 GLN 100 HB3 0.06 -0.03 0.03 -0.04 2.02 2.04 1ndhA1 GLN 100 HG2 -0.98 -0.16 -0.10 -0.04 2.40 1.12 1ndhA1 GLN 100 HG3 -0.27 0.19 0.20 -0.04 2.39 2.47 1ndhA1 GLN 100 HE21 0.07 0.16 -0.12 -0.04 6.97 7.04 1ndhA1 GLN 100 HE22 0.01 0.13 0.02 -0.04 7.69 7.80 1ndhA1 TYR 101 H 0.08 0.29 -0.42 -0.55 8.29 7.69 1ndhA1 TYR 101 HA 0.01 0.04 0.43 -0.75 4.56 4.29 1ndhA1 TYR 101 HB2 -0.02 0.01 0.07 -0.04 3.06 3.08 1ndhA1 TYR 101 HB3 -0.04 0.07 0.14 -0.04 2.98 3.10 1ndhA1 TYR 101 HD2 -0.02 -0.01 -0.08 -0.04 7.15 7.00 1ndhA1 TYR 101 HE2 0.00 0.01 -0.01 -0.04 6.85 6.81 1ndhA1 LEU 102 H 0.01 0.53 -0.10 -0.55 8.37 8.27 1ndhA1 LEU 102 HA -0.20 0.01 0.37 -0.75 4.35 3.77 1ndhA1 LEU 102 HB2 -0.27 0.09 0.11 -0.04 1.64 1.53 1ndhA1 LEU 102 HB3 -1.15 -0.04 -0.06 -0.04 1.64 0.35 1ndhA1 LEU 102 HG -0.09 0.05 -0.02 -0.04 1.64 1.54 1ndhA1 LEU 102 HD13 -0.41 -0.03 -0.16 -0.04 0.93 0.28 1ndhA1 LEU 102 HD23 -0.30 -0.01 -0.10 -0.04 0.89 0.45 1ndhA1 GLU 103 H 0.13 0.47 -0.30 -0.55 8.60 8.36 1ndhA1 GLU 103 HA 0.41 -0.02 0.25 -0.75 4.29 4.18 1ndhA1 GLU 103 HB2 0.66 -0.10 0.01 -0.04 2.09 2.62 1ndhA1 GLU 103 HB3 0.69 0.12 0.06 -0.04 1.99 2.82 1ndhA1 GLU 103 HG2 -0.17 -0.08 -0.06 -0.04 2.34 1.98 1ndhA1 GLU 103 HG3 0.12 0.05 -0.13 -0.04 2.34 2.34 1ndhA1 SER 104 H 0.01 0.25 -0.59 -0.55 8.46 7.58 1ndhA1 SER 104 HA 0.03 0.02 0.47 -0.75 4.49 4.26 1ndhA1 SER 104 HB2 -0.09 0.03 0.17 -0.04 3.95 4.02 1ndhA1 SER 104 HB3 -0.14 -0.08 -0.13 -0.04 3.93 3.54 1ndhA1 MET 105 H -0.10 0.35 -0.15 -0.55 8.47 8.02 1ndhA1 MET 105 HA -0.12 -0.06 0.41 -0.75 4.52 3.99 1ndhA1 MET 105 HB2 -0.01 0.15 0.07 -0.04 2.15 2.32 1ndhA1 MET 105 HB3 -0.00 -0.05 0.03 -0.04 2.03 1.96 1ndhA1 MET 105 HG2 -0.32 -0.06 0.02 -0.04 2.63 2.23 1ndhA1 MET 105 HG3 -0.47 0.28 0.03 -0.04 2.56 2.36 1ndhA1 MET 105 HE3 0.20 -0.02 -0.22 -0.04 2.10 2.03 1ndhA1 LYS 106 H -0.01 0.11 0.22 -0.55 8.42 8.19 1ndhA1 LYS 106 HA 0.00 0.22 0.85 -0.75 4.32 4.64 1ndhA1 LYS 106 HB2 -0.00 -0.01 0.10 -0.04 1.87 1.92 1ndhA1 LYS 106 HB3 -0.00 0.12 -0.02 -0.04 1.79 1.84 1ndhA1 LYS 106 HG2 0.00 -0.12 0.08 -0.04 1.46 1.38 1ndhA1 LYS 106 HG3 0.00 0.07 -0.09 -0.04 1.46 1.40 1ndhA1 LYS 106 HD2 0.00 -0.03 -0.01 -0.04 1.69 1.62 1ndhA1 LYS 106 HD3 -0.00 0.04 -0.01 -0.04 1.68 1.67 1ndhA1 LYS 106 HE2 -0.01 0.02 -0.00 -0.04 2.99 2.96 1ndhA1 LYS 106 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.93 1ndhA1 ILE 107 H -0.01 0.13 0.09 -0.55 8.25 7.91 1ndhA1 ILE 107 HA -0.02 0.13 0.43 -0.75 4.18 3.97 1ndhA1 ILE 107 HB -0.02 -0.04 0.13 -0.04 1.89 1.92 1ndhA1 ILE 107 HG12 -0.02 -0.05 -0.01 -0.04 1.49 1.37 1ndhA1 ILE 107 HG13 -0.03 0.00 -0.00 -0.04 1.21 1.14 1ndhA1 ILE 107 HG23 -0.03 0.01 -0.02 -0.04 0.93 0.84 1ndhA1 ILE 107 HD13 -0.06 0.05 -0.45 -0.04 0.88 0.37 1ndhA1 GLY 108 H 0.01 0.64 0.41 -0.55 8.43 8.94 1ndhA1 GLY 108 HA2 0.03 -0.04 0.38 -0.51 4.01 3.86 1ndhA1 GLY 108 HA3 0.02 0.12 0.83 -0.51 4.01 4.47 1ndhA1 ASP 109 H 0.03 0.69 0.09 -0.55 8.40 8.66 1ndhA1 ASP 109 HA 0.05 0.02 0.52 -0.75 4.63 4.47 1ndhA1 ASP 109 HB2 0.04 -0.02 0.19 -0.04 2.71 2.89 1ndhA1 ASP 109 HB3 0.05 0.06 0.16 -0.04 2.70 2.93 1ndhA1 THR 110 H 0.09 0.08 0.23 -0.55 8.28 8.13 1ndhA1 THR 110 HA 0.20 0.40 1.06 -0.75 4.39 5.30 1ndhA1 THR 110 HB 0.10 -0.06 -0.22 -0.04 4.32 4.10 1ndhA1 THR 110 HG23 0.08 0.01 -0.26 -0.04 1.22 1.00 1ndhA1 ILE 111 H 0.16 0.50 0.40 -0.55 8.25 8.76 1ndhA1 ILE 111 HA 0.12 0.10 0.65 -0.75 4.18 4.30 1ndhA1 ILE 111 HB 0.16 0.05 -0.13 -0.04 1.89 1.93 1ndhA1 ILE 111 HG12 -0.04 0.05 -0.02 -0.04 1.49 1.44 1ndhA1 ILE 111 HG13 0.10 0.01 0.15 -0.04 1.21 1.42 1ndhA1 ILE 111 HG23 -0.21 0.02 -0.17 -0.04 0.93 0.53 1ndhA1 ILE 111 HD13 0.06 -0.02 -0.13 -0.04 0.88 0.76 1ndhA1 GLU 112 H 0.06 0.25 0.19 -0.55 8.60 8.54 1ndhA1 GLU 112 HA 0.16 0.13 0.42 -0.75 4.29 4.26 1ndhA1 GLU 112 HB2 0.03 0.07 0.18 -0.04 2.09 2.32 1ndhA1 GLU 112 HB3 0.06 0.01 -0.13 -0.04 1.99 1.89 1ndhA1 GLU 112 HG2 0.05 0.02 -0.16 -0.04 2.34 2.20 1ndhA1 GLU 112 HG3 0.05 -0.04 0.00 -0.04 2.34 2.30 1ndhA1 PHE 113 H 0.35 0.57 0.26 -0.55 8.34 8.97 1ndhA1 PHE 113 HA 0.03 0.30 1.08 -0.75 4.62 5.28 1ndhA1 PHE 113 HB2 0.05 0.10 0.17 -0.04 3.15 3.43 1ndhA1 PHE 113 HB3 0.03 -0.01 -0.07 -0.04 3.06 2.97 1ndhA1 PHE 113 HD2 -0.10 0.06 -0.15 -0.04 7.28 7.05 1ndhA1 PHE 113 HE2 -0.57 -0.04 -0.16 -0.04 7.38 6.58 1ndhA1 PHE 113 HZ -0.66 -0.04 -0.19 -0.04 7.32 6.38 1ndhA1 ARG 114 H 0.17 0.56 0.37 -0.55 8.46 9.01 1ndhA1 ARG 114 HA 0.25 0.27 0.93 -0.75 4.34 5.03 1ndhA1 ARG 114 HB2 0.12 -0.07 -0.15 -0.04 1.90 1.75 1ndhA1 ARG 114 HB3 0.18 -0.11 -0.01 -0.04 1.80 1.82 1ndhA1 ARG 114 HG2 0.15 0.01 -0.09 -0.04 1.67 1.70 1ndhA1 ARG 114 HG3 0.12 0.22 -0.07 -0.04 1.67 1.90 1ndhA1 ARG 114 HD2 0.04 -0.15 -0.13 -0.04 3.22 2.94 1ndhA1 ARG 114 HD3 0.05 0.02 -0.04 -0.04 3.22 3.21 1ndhA1 GLY 115 H 0.18 0.34 0.19 -0.55 8.43 8.59 1ndhA1 GLY 115 HA2 0.07 0.07 0.36 -0.51 4.01 4.00 1ndhA1 GLY 115 HA3 0.07 0.04 0.34 -0.51 4.01 3.95 1ndhA1 PRO 116 HA -0.04 0.14 0.45 -0.51 4.44 4.48 1ndhA1 PRO 116 HB2 -0.03 0.01 -0.07 -0.04 2.28 2.15 1ndhA1 PRO 116 HB3 -0.03 -0.01 0.15 -0.04 2.02 2.09 1ndhA1 PRO 116 HG2 -0.00 -0.03 0.09 -0.04 2.03 2.05 1ndhA1 PRO 116 HG3 -0.01 0.17 0.16 -0.04 2.03 2.31 1ndhA1 PRO 116 HD2 0.02 0.00 0.35 -0.04 3.68 4.01 1ndhA1 PRO 116 HD3 0.02 0.24 0.27 -0.04 3.65 4.13 1ndhA1 ASN 117 H -0.26 0.59 0.39 -0.55 8.53 8.70 1ndhA1 ASN 117 HA -0.07 0.12 0.70 -0.75 4.76 4.76 1ndhA1 ASN 117 HB2 -0.07 0.03 -0.10 -0.04 2.88 2.71 1ndhA1 ASN 117 HB3 -0.95 -0.03 -0.08 -0.04 2.79 1.69 1ndhA1 ASN 117 HD21 0.19 -0.02 0.00 -0.04 7.03 7.16 1ndhA1 ASN 117 HD22 0.09 0.11 0.10 -0.04 7.74 8.00 1ndhA1 GLY 118 H -0.00 0.12 0.07 -0.55 8.43 8.08 1ndhA1 GLY 118 HA2 0.20 -0.02 0.39 -0.51 4.01 4.07 1ndhA1 GLY 118 HA3 0.09 0.26 0.89 -0.51 4.01 4.74 1ndhA1 LEU 119 H 0.28 0.15 0.18 -0.55 8.37 8.43 1ndhA1 LEU 119 HA 0.11 0.07 0.54 -0.75 4.35 4.30 1ndhA1 LEU 119 HB2 0.28 -0.03 0.17 -0.04 1.64 2.02 1ndhA1 LEU 119 HB3 0.27 0.14 0.14 -0.04 1.64 2.14 1ndhA1 LEU 119 HG 0.11 0.06 -0.09 -0.04 1.64 1.67 1ndhA1 LEU 119 HD13 0.08 -0.03 -0.17 -0.04 0.93 0.77 1ndhA1 LEU 119 HD23 0.09 0.00 0.01 -0.04 0.89 0.95 1ndhA1 LEU 120 H 0.14 0.07 -0.08 -0.55 8.37 7.95 1ndhA1 LEU 120 HA -0.10 0.31 0.98 -0.75 4.35 4.79 1ndhA1 LEU 120 HB2 -1.19 -0.01 -0.08 -0.04 1.64 0.32 1ndhA1 LEU 120 HB3 -0.43 -0.00 0.05 -0.04 1.64 1.21 1ndhA1 LEU 120 HG -0.02 0.03 -0.13 -0.04 1.64 1.48 1ndhA1 LEU 120 HD13 -0.74 -0.01 -0.12 -0.04 0.93 0.02 1ndhA1 LEU 120 HD23 0.13 0.00 -0.32 -0.04 0.89 0.66 1ndhA1 VAL 121 H 0.01 0.54 0.22 -0.55 8.24 8.46 1ndhA1 VAL 121 HA 0.04 0.25 0.74 -0.75 4.13 4.41 1ndhA1 VAL 121 HB -0.01 -0.06 0.01 -0.04 2.12 2.02 1ndhA1 VAL 121 HG13 -0.03 -0.01 -0.19 -0.04 0.97 0.69 1ndhA1 VAL 121 HG23 0.01 -0.00 -0.25 -0.04 0.95 0.66 1ndhA1 TYR 122 H 0.05 0.93 0.23 -0.55 8.29 8.96 1ndhA1 TYR 122 HA -0.51 0.10 0.77 -0.75 4.56 4.16 1ndhA1 TYR 122 HB2 -0.32 0.01 -0.06 -0.04 3.06 2.64 1ndhA1 TYR 122 HB3 -0.18 -0.03 0.04 -0.04 2.98 2.77 1ndhA1 TYR 122 HD2 -0.96 0.06 -0.10 -0.04 7.15 6.11 1ndhA1 TYR 122 HE2 -0.30 0.04 -0.22 -0.04 6.85 6.34 1ndhA1 GLN 123 H -0.53 0.58 0.26 -0.55 8.47 8.24 1ndhA1 GLN 123 HA -0.27 0.14 0.78 -0.75 4.36 4.26 1ndhA1 GLN 123 HB2 -0.22 0.08 -0.04 -0.04 2.15 1.94 1ndhA1 GLN 123 HB3 -0.18 -0.03 0.06 -0.04 2.02 1.83 1ndhA1 GLN 123 HG2 -0.12 0.01 -0.14 -0.04 2.40 2.11 1ndhA1 GLN 123 HG3 -0.13 -0.01 -0.32 -0.04 2.39 1.89 1ndhA1 GLN 123 HE21 -0.04 -0.02 -0.09 -0.04 6.97 6.78 1ndhA1 GLN 123 HE22 -0.05 0.01 -0.10 -0.04 7.69 7.51 1ndhA1 GLY 124 H -1.76 0.01 -0.09 -0.55 8.43 6.05 1ndhA1 GLY 124 HA2 -0.73 -0.01 0.28 -0.51 4.01 3.04 1ndhA1 GLY 124 HA3 -0.37 0.24 0.65 -0.51 4.01 4.01 1ndhA1 LYS 125 H -0.11 0.18 0.13 -0.55 8.42 8.07 1ndhA1 LYS 125 HA -0.01 0.04 0.40 -0.75 4.32 4.00 1ndhA1 LYS 125 HB2 -0.08 0.16 0.06 -0.04 1.87 1.97 1ndhA1 LYS 125 HB3 -0.04 0.03 0.24 -0.04 1.79 1.99 1ndhA1 LYS 125 HG2 -0.11 -0.05 -0.23 -0.04 1.46 1.02 1ndhA1 LYS 125 HG3 -0.07 0.02 -0.04 -0.04 1.46 1.33 1ndhA1 LYS 125 HD2 -0.11 0.10 0.01 -0.04 1.69 1.65 1ndhA1 LYS 125 HD3 -0.09 -0.05 -0.04 -0.04 1.68 1.46 1ndhA1 LYS 125 HE2 -0.07 -0.01 -0.02 -0.04 2.99 2.85 1ndhA1 LYS 125 HE3 -0.10 0.05 -0.10 -0.04 2.99 2.81 1ndhA1 GLY 126 H 0.28 0.03 -0.28 -0.55 8.43 7.91 1ndhA1 GLY 126 HA2 0.38 0.03 0.09 -0.51 4.01 3.99 1ndhA1 GLY 126 HA3 0.17 -0.08 0.31 -0.51 4.01 3.90 1ndhA1 LYS 127 H -0.13 0.38 -0.40 -0.55 8.42 7.72 1ndhA1 LYS 127 HA 0.10 0.33 0.70 -0.75 4.32 4.70 1ndhA1 LYS 127 HB2 -0.09 -0.10 -0.06 -0.04 1.87 1.57 1ndhA1 LYS 127 HB3 -0.00 -0.16 0.08 -0.04 1.79 1.66 1ndhA1 LYS 127 HG2 -0.02 0.23 0.10 -0.04 1.46 1.73 1ndhA1 LYS 127 HG3 -0.09 0.15 -0.00 -0.04 1.46 1.48 1ndhA1 LYS 127 HD2 -0.09 -0.09 -0.05 -0.04 1.69 1.41 1ndhA1 LYS 127 HD3 -0.05 -0.07 -0.00 -0.04 1.68 1.51 1ndhA1 LYS 127 HE2 -0.07 -0.07 -0.04 -0.04 2.99 2.77 1ndhA1 LYS 127 HE3 -0.14 0.36 -0.11 -0.04 2.99 3.06 1ndhA1 PHE 128 H 0.27 0.56 0.02 -0.55 8.34 8.64 1ndhA1 PHE 128 HA 0.08 0.10 0.82 -0.75 4.62 4.86 1ndhA1 PHE 128 HB2 -0.00 0.07 0.11 -0.04 3.15 3.28 1ndhA1 PHE 128 HB3 -0.05 0.01 -0.08 -0.04 3.06 2.89 1ndhA1 PHE 128 HD2 0.01 0.13 -0.19 -0.04 7.28 7.19 1ndhA1 PHE 128 HE2 -0.04 -0.02 -0.18 -0.04 7.38 7.10 1ndhA1 PHE 128 HZ -0.28 0.01 -0.16 -0.04 7.32 6.84 1ndhA1 ALA 129 H 0.04 0.80 0.24 -0.55 8.40 8.93 1ndhA1 ALA 129 HA 0.03 0.10 0.59 -0.75 4.34 4.31 1ndhA1 ALA 129 HB3 -0.01 -0.01 -0.02 -0.04 1.41 1.34 1ndhA1 ILE 130 H 0.03 0.66 0.21 -0.55 8.25 8.60 1ndhA1 ILE 130 HA -0.00 0.39 1.07 -0.75 4.18 4.88 1ndhA1 ILE 130 HB 0.02 0.02 0.03 -0.04 1.89 1.92 1ndhA1 ILE 130 HG12 -0.14 -0.01 -0.20 -0.04 1.49 1.09 1ndhA1 ILE 130 HG13 0.03 -0.11 -0.47 -0.04 1.21 0.62 1ndhA1 ILE 130 HG23 0.06 0.02 -0.10 -0.04 0.93 0.87 1ndhA1 ILE 130 HD13 -0.12 0.01 -0.09 -0.04 0.88 0.64 1ndhA1 ARG 131 H 0.07 0.54 0.26 -0.55 8.46 8.77 1ndhA1 ARG 131 HA 0.04 0.28 0.66 -0.75 4.34 4.57 1ndhA1 ARG 131 HB2 0.06 0.03 -0.13 -0.04 1.90 1.82 1ndhA1 ARG 131 HB3 0.04 -0.16 -0.24 -0.04 1.80 1.40 1ndhA1 ARG 131 HG2 0.03 -0.15 -0.22 -0.04 1.67 1.29 1ndhA1 ARG 131 HG3 0.04 0.14 -0.17 -0.04 1.67 1.63 1ndhA1 ARG 131 HD2 0.06 0.09 -0.04 -0.04 3.22 3.29 1ndhA1 ARG 131 HD3 0.04 -0.07 -0.11 -0.04 3.22 3.04 1ndhA1 PRO 132 HA 0.06 0.18 0.67 -0.51 4.44 4.83 1ndhA1 PRO 132 HB2 0.03 0.04 0.08 -0.04 2.28 2.38 1ndhA1 PRO 132 HB3 0.03 0.10 0.04 -0.04 2.02 2.15 1ndhA1 PRO 132 HG2 0.02 -0.42 0.24 -0.04 2.03 1.83 1ndhA1 PRO 132 HG3 0.02 0.18 0.09 -0.04 2.03 2.28 1ndhA1 PRO 132 HD2 0.03 -0.10 -0.04 -0.04 3.68 3.53 1ndhA1 PRO 132 HD3 0.03 0.43 0.19 -0.04 3.65 4.26 1ndhA1 ASP 133 H 0.03 0.04 0.17 -0.55 8.40 8.09 1ndhA1 ASP 133 HA 0.02 0.16 0.72 -0.75 4.63 4.78 1ndhA1 ASP 133 HB2 0.01 0.01 -0.05 -0.04 2.71 2.65 1ndhA1 ASP 133 HB3 0.01 0.01 0.06 -0.04 2.70 2.74 1ndhA1 LYS 134 H 0.02 0.06 0.09 -0.55 8.42 8.04 1ndhA1 LYS 134 HA 0.03 0.04 0.26 -0.75 4.32 3.90 1ndhA1 LYS 134 HB2 0.02 0.17 0.11 -0.04 1.87 2.13 1ndhA1 LYS 134 HB3 0.01 -0.02 0.02 -0.04 1.79 1.77 1ndhA1 LYS 134 HG2 0.02 -0.03 0.04 -0.04 1.46 1.45 1ndhA1 LYS 134 HG3 0.01 0.00 0.00 -0.04 1.46 1.44 1ndhA1 LYS 134 HD2 0.01 -0.02 -0.11 -0.04 1.69 1.53 1ndhA1 LYS 134 HD3 0.01 0.07 -0.82 -0.04 1.68 0.91 1ndhA1 LYS 134 HE2 0.01 -0.00 -0.06 -0.04 2.99 2.90 1ndhA1 LYS 134 HE3 0.02 -0.08 -0.03 -0.04 2.99 2.85 1ndhA1 LYS 135 H 0.02 0.10 0.01 -0.55 8.42 8.00 1ndhA1 LYS 135 HA 0.02 -0.04 0.40 -0.75 4.32 3.94 1ndhA1 LYS 135 HB2 0.01 -0.01 0.13 -0.04 1.87 1.96 1ndhA1 LYS 135 HB3 0.01 -0.03 -0.05 -0.04 1.79 1.68 1ndhA1 LYS 135 HG2 0.01 0.09 0.24 -0.04 1.46 1.76 1ndhA1 LYS 135 HG3 0.01 0.07 -0.11 -0.04 1.46 1.39 1ndhA1 LYS 135 HD2 0.01 -0.03 0.02 -0.04 1.69 1.65 1ndhA1 LYS 135 HD3 0.01 -0.04 0.03 -0.04 1.68 1.64 1ndhA1 LYS 135 HE2 0.01 -0.06 0.01 -0.04 2.99 2.90 1ndhA1 LYS 135 HE3 0.01 0.22 0.10 -0.04 2.99 3.28 1ndhA1 SER 136 H 0.02 0.07 0.10 -0.55 8.46 8.10 1ndhA1 SER 136 HA 0.02 0.34 0.50 -0.75 4.49 4.60 1ndhA1 SER 136 HB2 0.01 -0.00 -0.23 -0.04 3.95 3.69 1ndhA1 SER 136 HB3 0.02 0.04 -0.28 -0.04 3.93 3.67 1ndhA1 SER 137 H 0.02 0.80 0.36 -0.55 8.46 9.09 1ndhA1 SER 137 HA 0.01 0.12 0.83 -0.75 4.49 4.70 1ndhA1 SER 137 HB2 0.02 -0.01 0.10 -0.04 3.95 4.02 1ndhA1 SER 137 HB3 0.02 0.00 -0.00 -0.04 3.93 3.90 1ndhA1 PRO 138 HA 0.04 0.34 0.80 -0.51 4.44 5.11 1ndhA1 PRO 138 HB2 0.02 -0.07 0.05 -0.04 2.28 2.23 1ndhA1 PRO 138 HB3 0.01 0.04 -0.02 -0.04 2.02 2.01 1ndhA1 PRO 138 HG2 0.00 0.03 0.08 -0.04 2.03 2.10 1ndhA1 PRO 138 HG3 0.00 0.04 -0.01 -0.04 2.03 2.02 1ndhA1 PRO 138 HD2 0.01 0.08 0.26 -0.04 3.68 4.00 1ndhA1 PRO 138 HD3 0.01 0.18 0.27 -0.04 3.65 4.07 1ndhA1 VAL 139 H 0.09 1.02 0.26 -0.55 8.24 9.05 1ndhA1 VAL 139 HA 0.05 0.06 0.69 -0.75 4.13 4.17 1ndhA1 VAL 139 HB 0.12 -0.08 0.32 -0.04 2.12 2.44 1ndhA1 VAL 139 HG13 0.01 0.03 0.13 -0.04 0.97 1.09 1ndhA1 VAL 139 HG23 0.03 0.04 -0.09 -0.04 0.95 0.89 1ndhA1 ILE 140 H 0.04 0.27 -0.72 -0.55 8.25 7.30 1ndhA1 ILE 140 HA 0.03 -0.03 0.34 -0.75 4.18 3.76 1ndhA1 ILE 140 HB 0.01 -0.01 0.03 -0.04 1.89 1.88 1ndhA1 ILE 140 HG12 0.02 0.05 -0.47 -0.04 1.49 1.05 1ndhA1 ILE 140 HG13 0.01 -0.01 -0.04 -0.04 1.21 1.12 1ndhA1 ILE 140 HG23 0.03 0.05 0.02 -0.04 0.93 0.98 1ndhA1 ILE 140 HD13 0.01 -0.01 -0.05 -0.04 0.88 0.80 1ndhA1 LYS 141 H 0.05 0.10 -0.10 -0.55 8.42 7.92 1ndhA1 LYS 141 HA 0.06 0.09 0.58 -0.75 4.32 4.29 1ndhA1 LYS 141 HB2 0.04 -0.01 0.04 -0.04 1.87 1.89 1ndhA1 LYS 141 HB3 0.04 -0.00 0.05 -0.04 1.79 1.83 1ndhA1 LYS 141 HG2 0.04 0.06 -0.08 -0.04 1.46 1.43 1ndhA1 LYS 141 HG3 0.05 -0.03 -0.08 -0.04 1.46 1.36 1ndhA1 LYS 141 HD2 0.03 -0.04 -0.00 -0.04 1.69 1.63 1ndhA1 LYS 141 HD3 0.03 0.04 -0.02 -0.04 1.68 1.69 1ndhA1 LYS 141 HE2 0.04 -0.02 -0.01 -0.04 2.99 2.96 1ndhA1 LYS 141 HE3 0.04 0.03 -0.02 -0.04 2.99 2.99 1ndhA1 THR 142 H 0.09 0.05 -0.03 -0.55 8.28 7.84 1ndhA1 THR 142 HA 0.07 0.19 0.39 -0.75 4.39 4.29 1ndhA1 THR 142 HB 0.23 0.33 0.24 -0.04 4.32 5.08 1ndhA1 THR 142 HG23 0.16 -0.05 -0.09 -0.04 1.22 1.20 1ndhA1 VAL 143 H 0.13 0.46 0.06 -0.55 8.24 8.34 1ndhA1 VAL 143 HA 0.12 0.07 0.19 -0.75 4.13 3.75 1ndhA1 VAL 143 HB 0.07 0.18 0.13 -0.04 2.12 2.46 1ndhA1 VAL 143 HG13 0.06 0.01 0.14 -0.04 0.97 1.13 1ndhA1 VAL 143 HG23 0.08 0.00 -0.17 -0.04 0.95 0.82 1ndhA1 LYS 144 H 0.10 0.61 2.18 -0.55 8.42 10.77 1ndhA1 LYS 144 HA 0.11 0.16 0.84 -0.75 4.32 4.69 1ndhA1 LYS 144 HB2 0.07 -0.03 0.13 -0.04 1.87 2.00 1ndhA1 LYS 144 HB3 0.08 -0.18 0.10 -0.04 1.79 1.75 1ndhA1 LYS 144 HG2 0.05 -0.11 0.05 -0.04 1.46 1.41 1ndhA1 LYS 144 HG3 0.07 0.17 0.22 -0.04 1.46 1.87 1ndhA1 LYS 144 HD2 0.04 0.02 0.03 -0.04 1.69 1.74 1ndhA1 LYS 144 HD3 0.06 0.01 -0.11 -0.04 1.68 1.60 1ndhA1 LYS 144 HE2 0.07 0.03 0.00 -0.04 2.99 3.05 1ndhA1 LYS 144 HE3 0.05 -0.06 0.02 -0.04 2.99 2.95 1ndhA1 SER 145 H 0.09 0.35 0.25 -0.55 8.46 8.61 1ndhA1 SER 145 HA 0.13 0.16 0.92 -0.75 4.49 4.94 1ndhA1 SER 145 HB2 0.10 0.04 -0.29 -0.04 3.95 3.76 1ndhA1 SER 145 HB3 0.06 0.02 0.02 -0.04 3.93 3.99 1ndhA1 VAL 146 H 0.14 0.72 0.35 -0.55 8.24 8.91 1ndhA1 VAL 146 HA -0.03 0.18 1.06 -0.75 4.13 4.58 1ndhA1 VAL 146 HB 0.08 0.00 0.00 -0.04 2.12 2.16 1ndhA1 VAL 146 HG13 0.01 -0.01 -0.22 -0.04 0.97 0.70 1ndhA1 VAL 146 HG23 -0.11 -0.02 -0.16 -0.04 0.95 0.63 1ndhA1 GLY 147 H -0.05 0.60 0.40 -0.55 8.43 8.84 1ndhA1 GLY 147 HA2 0.07 0.21 0.87 -0.51 4.01 4.65 1ndhA1 GLY 147 HA3 -0.05 -0.01 0.38 -0.51 4.01 3.82 1ndhA1 MET 148 H 0.10 0.69 0.40 -0.55 8.47 9.11 1ndhA1 MET 148 HA 0.07 0.26 1.05 -0.75 4.52 5.15 1ndhA1 MET 148 HB2 0.11 -0.06 0.09 -0.04 2.15 2.25 1ndhA1 MET 148 HB3 0.10 -0.05 -0.03 -0.04 2.03 2.01 1ndhA1 MET 148 HG2 0.09 -0.01 -0.14 -0.04 2.63 2.53 1ndhA1 MET 148 HG3 0.08 -0.01 -0.65 -0.04 2.56 1.94 1ndhA1 MET 148 HE3 0.08 0.02 -0.05 -0.04 2.10 2.12 1ndhA1 ILE 149 H 0.09 0.84 0.24 -0.55 8.25 8.87 1ndhA1 ILE 149 HA 0.15 0.23 1.00 -0.75 4.18 4.81 1ndhA1 ILE 149 HB 0.08 0.28 -0.02 -0.04 1.89 2.19 1ndhA1 ILE 149 HG12 0.12 -0.03 -0.09 -0.04 1.49 1.45 1ndhA1 ILE 149 HG13 0.06 -0.07 -0.36 -0.04 1.21 0.80 1ndhA1 ILE 149 HG23 0.18 -0.05 -0.38 -0.04 0.93 0.64 1ndhA1 ILE 149 HD13 0.05 -0.03 -0.04 -0.04 0.88 0.81 1ndhA1 ALA 150 H 0.21 0.65 0.28 -0.55 8.40 9.00 1ndhA1 ALA 150 HA 0.16 0.22 1.04 -0.75 4.34 5.01 1ndhA1 ALA 150 HB3 -0.02 -0.03 -0.20 -0.04 1.41 1.12 1ndhA1 GLY 151 H 0.22 0.26 0.30 -0.55 8.43 8.66 1ndhA1 GLY 151 HA2 0.21 0.49 1.01 -0.51 4.01 5.21 1ndhA1 GLY 151 HA3 0.20 -0.05 0.36 -0.51 4.01 4.01 1ndhA1 GLY 152 H 0.05 0.46 0.31 -0.55 8.43 8.70 1ndhA1 GLY 152 HA2 0.07 0.12 0.43 -0.51 4.01 4.13 1ndhA1 GLY 152 HA3 0.11 -0.04 0.38 -0.51 4.01 3.95 1ndhA1 THR 153 H 0.13 0.14 0.24 -0.55 8.28 8.24 1ndhA1 THR 153 HA 0.10 0.10 0.67 -0.75 4.39 4.51 1ndhA1 THR 153 HB 0.09 0.06 0.26 -0.04 4.32 4.68 1ndhA1 THR 153 HG23 0.13 -0.01 0.11 -0.04 1.22 1.41 1ndhA1 GLY 154 H 0.14 0.60 -0.15 -0.55 8.43 8.46 1ndhA1 GLY 154 HA2 0.00 0.08 0.45 -0.51 4.01 4.04 1ndhA1 GLY 154 HA3 0.08 0.02 0.47 -0.51 4.01 4.06 1ndhA1 ILE 155 H 0.03 0.22 -0.60 -0.55 8.25 7.35 1ndhA1 ILE 155 HA -0.26 0.09 0.32 -0.75 4.18 3.57 1ndhA1 ILE 155 HB -0.66 0.02 -0.02 -0.04 1.89 1.19 1ndhA1 ILE 155 HG12 -0.36 0.14 -0.10 -0.04 1.49 1.13 1ndhA1 ILE 155 HG13 -0.25 -0.07 -0.11 -0.04 1.21 0.73 1ndhA1 ILE 155 HG23 0.03 0.05 -0.07 -0.04 0.93 0.90 1ndhA1 ILE 155 HD13 -1.08 -0.00 -0.07 -0.04 0.88 -0.31 1ndhA1 THR 156 H -0.06 0.25 -0.15 -0.55 8.28 7.78 1ndhA1 THR 156 HA -0.06 0.04 0.47 -0.75 4.39 4.08 1ndhA1 THR 156 HB -0.02 0.12 0.22 -0.04 4.32 4.59 1ndhA1 THR 156 HG23 -0.02 0.05 0.13 -0.04 1.22 1.34 1ndhA1 PRO 157 HA -0.34 0.11 0.47 -0.51 4.44 4.16 1ndhA1 PRO 157 HB2 -1.73 0.04 -0.12 -0.04 2.28 0.43 1ndhA1 PRO 157 HB3 -1.01 0.05 0.07 -0.04 2.02 1.08 1ndhA1 PRO 157 HG2 -0.26 0.23 0.09 -0.04 2.03 2.05 1ndhA1 PRO 157 HG3 -0.32 -0.04 0.08 -0.04 2.03 1.72 1ndhA1 PRO 157 HD2 -0.13 0.02 -0.35 -0.04 3.68 3.18 1ndhA1 PRO 157 HD3 -0.17 0.08 0.10 -0.04 3.65 3.62 1ndhA1 MET 158 H -0.17 0.21 -0.47 -0.55 8.47 7.50 1ndhA1 MET 158 HA 0.02 0.05 0.36 -0.75 4.52 4.20 1ndhA1 MET 158 HB2 -0.11 0.12 0.08 -0.04 2.15 2.20 1ndhA1 MET 158 HB3 -0.01 -0.03 -0.07 -0.04 2.03 1.89 1ndhA1 MET 158 HG2 -0.02 0.15 0.01 -0.04 2.63 2.73 1ndhA1 MET 158 HG3 0.01 -0.02 -0.15 -0.04 2.56 2.36 1ndhA1 MET 158 HE3 0.26 0.02 -0.18 -0.04 2.10 2.16 1ndhA1 LEU 159 H -0.11 0.88 0.14 -0.55 8.37 8.72 1ndhA1 LEU 159 HA -0.12 -0.00 0.40 -0.75 4.35 3.88 1ndhA1 LEU 159 HB2 -0.09 0.08 0.05 -0.04 1.64 1.64 1ndhA1 LEU 159 HB3 -0.06 0.08 0.02 -0.04 1.64 1.65 1ndhA1 LEU 159 HG -0.05 -0.01 -0.04 -0.04 1.64 1.50 1ndhA1 LEU 159 HD13 -0.00 0.02 -0.04 -0.04 0.93 0.86 1ndhA1 LEU 159 HD23 -0.08 -0.00 -0.01 -0.04 0.89 0.76 1ndhA1 GLN 160 H -0.09 0.41 -0.47 -0.55 8.47 7.77 1ndhA1 GLN 160 HA -0.04 0.04 0.32 -0.75 4.36 3.92 1ndhA1 GLN 160 HB2 -0.05 0.16 0.13 -0.04 2.15 2.35 1ndhA1 GLN 160 HB3 -0.07 0.10 0.14 -0.04 2.02 2.16 1ndhA1 GLN 160 HG2 -0.01 -0.11 -0.01 -0.04 2.40 2.23 1ndhA1 GLN 160 HG3 -0.01 0.07 0.06 -0.04 2.39 2.46 1ndhA1 GLN 160 HE21 0.01 0.32 0.11 -0.04 6.97 7.37 1ndhA1 GLN 160 HE22 0.00 -0.04 0.02 -0.04 7.69 7.63 1ndhA1 VAL 161 H -0.05 0.38 -0.21 -0.55 8.24 7.82 1ndhA1 VAL 161 HA -0.07 -0.02 0.42 -0.75 4.13 3.71 1ndhA1 VAL 161 HB 0.01 0.14 0.09 -0.04 2.12 2.32 1ndhA1 VAL 161 HG13 -0.21 -0.01 -0.15 -0.04 0.97 0.56 1ndhA1 VAL 161 HG23 0.14 0.04 -0.01 -0.04 0.95 1.07 1ndhA1 ILE 162 H -0.11 0.58 -0.07 -0.55 8.25 8.11 1ndhA1 ILE 162 HA -0.19 0.03 0.40 -0.75 4.18 3.67 1ndhA1 ILE 162 HB -0.25 0.02 0.11 -0.04 1.89 1.74 1ndhA1 ILE 162 HG12 -0.16 -0.00 -0.05 -0.04 1.49 1.23 1ndhA1 ILE 162 HG13 -0.09 0.10 0.00 -0.04 1.21 1.18 1ndhA1 ILE 162 HG23 -0.78 0.00 -0.12 -0.04 0.93 -0.00 1ndhA1 ILE 162 HD13 -0.09 -0.03 -0.21 -0.04 0.88 0.51 1ndhA1 ARG 163 H -0.13 0.73 -0.07 -0.55 8.46 8.43 1ndhA1 ARG 163 HA -0.13 -0.01 0.30 -0.75 4.34 3.75 1ndhA1 ARG 163 HB2 -0.06 0.21 0.10 -0.04 1.90 2.11 1ndhA1 ARG 163 HB3 -0.05 -0.07 -0.14 -0.04 1.80 1.50 1ndhA1 ARG 163 HG2 -0.03 -0.07 -0.01 -0.04 1.67 1.51 1ndhA1 ARG 163 HG3 -0.08 -0.03 0.02 -0.04 1.67 1.54 1ndhA1 ARG 163 HD2 -0.04 0.10 -0.09 -0.04 3.22 3.14 1ndhA1 ARG 163 HD3 -0.02 -0.02 -0.06 -0.04 3.22 3.08 1ndhA1 ALA 164 H -0.06 0.40 -0.29 -0.55 8.40 7.90 1ndhA1 ALA 164 HA -0.01 -0.03 0.42 -0.75 4.34 3.96 1ndhA1 ALA 164 HB3 0.05 0.00 0.13 -0.04 1.41 1.55 1ndhA1 ILE 165 H -0.09 0.57 -0.09 -0.55 8.25 8.09 1ndhA1 ILE 165 HA 0.05 -0.10 0.52 -0.75 4.18 3.89 1ndhA1 ILE 165 HB -0.11 0.12 0.17 -0.04 1.89 2.02 1ndhA1 ILE 165 HG12 -0.03 -0.19 -0.02 -0.04 1.49 1.20 1ndhA1 ILE 165 HG13 -0.28 0.16 0.05 -0.04 1.21 1.10 1ndhA1 ILE 165 HG23 -0.01 -0.00 -0.11 -0.04 0.93 0.77 1ndhA1 ILE 165 HD13 -0.22 -0.01 -0.16 -0.04 0.88 0.44 1ndhA1 MET 166 H -0.18 0.55 0.02 -0.55 8.47 8.31 1ndhA1 MET 166 HA -0.28 0.09 0.36 -0.75 4.52 3.93 1ndhA1 MET 166 HB2 -0.32 0.00 -0.01 -0.04 2.15 1.78 1ndhA1 MET 166 HB3 -1.15 -0.05 0.00 -0.04 2.03 0.79 1ndhA1 MET 166 HG2 -0.28 0.26 0.05 -0.04 2.63 2.62 1ndhA1 MET 166 HG3 -0.35 -0.07 -0.07 -0.04 2.56 2.03 1ndhA1 MET 166 HE3 -0.07 0.03 -0.08 -0.04 2.10 1.94 1ndhA1 LYS 167 H -0.10 0.43 -0.41 -0.55 8.42 7.79 1ndhA1 LYS 167 HA -0.03 -0.07 0.37 -0.75 4.32 3.84 1ndhA1 LYS 167 HB2 -0.04 0.32 0.21 -0.04 1.87 2.31 1ndhA1 LYS 167 HB3 -0.03 -0.05 -0.05 -0.04 1.79 1.62 1ndhA1 LYS 167 HG2 -0.01 -0.06 0.05 -0.04 1.46 1.39 1ndhA1 LYS 167 HG3 -0.03 -0.00 -0.02 -0.04 1.46 1.38 1ndhA1 LYS 167 HD2 -0.01 -0.09 -0.01 -0.04 1.69 1.54 1ndhA1 LYS 167 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.57 1ndhA1 LYS 167 HE2 -0.02 0.05 -0.10 -0.04 2.99 2.88 1ndhA1 LYS 167 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 1ndhA1 ASP 168 H -0.05 0.50 -0.30 -0.55 8.40 8.01 1ndhA1 ASP 168 HA -0.03 0.09 0.84 -0.75 4.63 4.78 1ndhA1 ASP 168 HB2 -0.03 0.00 0.11 -0.04 2.71 2.75 1ndhA1 ASP 168 HB3 -0.03 0.14 0.30 -0.04 2.70 3.07 1ndhA1 PRO 169 HA 0.02 0.18 0.39 -0.51 4.44 4.52 1ndhA1 PRO 169 HB2 0.03 -0.02 0.04 -0.04 2.28 2.29 1ndhA1 PRO 169 HB3 0.04 0.05 0.13 -0.04 2.02 2.19 1ndhA1 PRO 169 HG2 -0.01 -0.05 0.09 -0.04 2.03 2.02 1ndhA1 PRO 169 HG3 0.01 0.01 0.11 -0.04 2.03 2.11 1ndhA1 PRO 169 HD2 -0.02 -0.01 0.33 -0.04 3.68 3.95 1ndhA1 PRO 169 HD3 0.00 0.37 0.28 -0.04 3.65 4.26 1ndhA1 ASP 170 H -0.06 0.04 -0.28 -0.55 8.40 7.56 1ndhA1 ASP 170 HA -0.18 0.22 0.75 -0.75 4.63 4.67 1ndhA1 ASP 170 HB2 -0.07 -0.03 0.06 -0.04 2.71 2.64 1ndhA1 ASP 170 HB3 -0.10 -0.01 0.14 -0.04 2.70 2.69 1ndhA1 ASP 171 H -0.11 0.56 -0.34 -0.55 8.40 7.96 1ndhA1 ASP 171 HA -0.16 -0.04 0.69 -0.75 4.63 4.37 1ndhA1 ASP 171 HB2 -0.04 -0.14 0.17 -0.04 2.71 2.66 1ndhA1 ASP 171 HB3 -0.03 0.44 0.32 -0.04 2.70 3.39 1ndhA1 HIS 172 H -0.13 0.15 0.16 -0.55 8.41 8.04 1ndhA1 HIS 172 HA 0.04 0.16 0.62 -0.75 4.63 4.69 1ndhA1 HIS 172 HB2 0.04 0.02 0.08 -0.04 3.26 3.36 1ndhA1 HIS 172 HB3 0.04 -0.03 0.17 -0.04 3.20 3.34 1ndhA1 HIS 172 HD2 0.02 -0.06 0.03 -0.04 6.97 6.92 1ndhA1 HIS 172 HE1 0.02 0.04 -0.05 -0.04 7.75 7.71 1ndhA1 THR 173 H 0.09 -0.11 -0.39 -0.55 8.28 7.31 1ndhA1 THR 173 HA 0.13 0.18 0.35 -0.75 4.39 4.30 1ndhA1 THR 173 HB 0.08 -0.04 -0.13 -0.04 4.32 4.19 1ndhA1 THR 173 HG23 0.15 -0.01 -0.46 -0.04 1.22 0.85 1ndhA1 VAL 174 H 0.12 0.67 0.37 -0.55 8.24 8.84 1ndhA1 VAL 174 HA 0.07 0.24 0.90 -0.75 4.13 4.59 1ndhA1 VAL 174 HB 0.07 0.04 0.13 -0.04 2.12 2.32 1ndhA1 VAL 174 HG13 0.17 0.06 0.22 -0.04 0.97 1.37 1ndhA1 VAL 174 HG23 -0.11 -0.03 -0.18 -0.04 0.95 0.58 1ndhA1 CYS 175 H 0.09 0.88 0.38 -0.55 8.50 9.30 1ndhA1 CYS 175 HA 0.15 0.21 0.91 -0.75 4.58 5.10 1ndhA1 CYS 175 HB2 0.19 0.05 0.22 -0.04 2.97 3.39 1ndhA1 CYS 175 HB3 0.18 -0.07 -0.03 -0.04 2.97 3.01 1ndhA1 HIS 176 H 0.27 0.76 0.41 -0.55 8.41 9.30 1ndhA1 HIS 176 HA 0.07 0.17 1.09 -0.75 4.63 5.20 1ndhA1 HIS 176 HB2 0.06 -0.15 0.30 -0.04 3.26 3.43 1ndhA1 HIS 176 HB3 0.07 0.33 0.16 -0.04 3.20 3.71 1ndhA1 HIS 176 HD2 0.03 0.08 -0.17 -0.04 6.97 6.86 1ndhA1 HIS 176 HE1 0.04 -0.01 -0.12 -0.04 7.75 7.62 1ndhA1 LEU 177 H 0.06 0.93 0.39 -0.55 8.37 9.20 1ndhA1 LEU 177 HA 0.14 0.24 1.07 -0.75 4.35 5.05 1ndhA1 LEU 177 HB2 0.32 -0.01 -0.03 -0.04 1.64 1.88 1ndhA1 LEU 177 HB3 0.06 -0.09 0.15 -0.04 1.64 1.71 1ndhA1 LEU 177 HG 0.09 -0.02 -0.10 -0.04 1.64 1.57 1ndhA1 LEU 177 HD13 0.02 -0.03 -0.12 -0.04 0.93 0.77 1ndhA1 LEU 177 HD23 0.04 -0.00 -0.31 -0.04 0.89 0.57 1ndhA1 LEU 178 H 0.14 0.84 0.37 -0.55 8.37 9.17 1ndhA1 LEU 178 HA 0.17 0.16 0.84 -0.75 4.35 4.76 1ndhA1 LEU 178 HB2 0.17 0.09 -0.04 -0.04 1.64 1.81 1ndhA1 LEU 178 HB3 0.20 -0.09 0.11 -0.04 1.64 1.81 1ndhA1 LEU 178 HG 0.17 0.07 -0.16 -0.04 1.64 1.68 1ndhA1 LEU 178 HD13 0.22 -0.04 -0.23 -0.04 0.93 0.85 1ndhA1 LEU 178 HD23 0.23 -0.01 -0.31 -0.04 0.89 0.76 1ndhA1 PHE 179 H 0.16 0.74 0.25 -0.55 8.34 8.94 1ndhA1 PHE 179 HA 0.09 0.25 0.96 -0.75 4.62 5.17 1ndhA1 PHE 179 HB2 -0.02 0.01 -0.07 -0.04 3.15 3.02 1ndhA1 PHE 179 HB3 0.00 -0.05 0.13 -0.04 3.06 3.10 1ndhA1 PHE 179 HD2 0.15 0.19 -0.08 -0.04 7.28 7.50 1ndhA1 PHE 179 HE2 0.08 0.05 -0.24 -0.04 7.38 7.22 1ndhA1 PHE 179 HZ 0.02 0.02 0.04 -0.04 7.32 7.36 1ndhA1 ALA 180 H 0.29 0.93 0.45 -0.55 8.40 9.52 1ndhA1 ALA 180 HA -0.13 0.32 0.92 -0.75 4.34 4.70 1ndhA1 ALA 180 HB3 -0.19 -0.03 -0.02 -0.04 1.41 1.13 1ndhA1 ASN 181 H -0.25 0.52 0.27 -0.55 8.53 8.53 1ndhA1 ASN 181 HA -0.16 -0.03 0.64 -0.75 4.76 4.45 1ndhA1 ASN 181 HB2 -0.31 0.12 -0.15 -0.04 2.88 2.50 1ndhA1 ASN 181 HB3 -0.23 -0.09 -0.07 -0.04 2.79 2.36 1ndhA1 ASN 181 HD21 -2.09 0.01 -0.11 -0.04 7.03 4.80 1ndhA1 ASN 181 HD22 -0.87 0.06 -0.37 -0.04 7.74 6.52 1ndhA1 GLN 182 H -0.11 0.15 0.19 -0.55 8.47 8.15 1ndhA1 GLN 182 HA -0.13 0.00 0.61 -0.75 4.36 4.09 1ndhA1 GLN 182 HB2 -0.07 0.01 0.20 -0.04 2.15 2.25 1ndhA1 GLN 182 HB3 -0.07 0.05 0.14 -0.04 2.02 2.10 1ndhA1 GLN 182 HG2 -0.03 0.01 0.10 -0.04 2.40 2.43 1ndhA1 GLN 182 HG3 -0.03 0.07 0.05 -0.04 2.39 2.43 1ndhA1 GLN 182 HE21 -0.04 0.04 -0.12 -0.04 6.97 6.81 1ndhA1 GLN 182 HE22 -0.02 0.04 -0.03 -0.04 7.69 7.64 1ndhA1 THR 183 H -0.15 0.13 0.06 -0.55 8.28 7.76 1ndhA1 THR 183 HA -0.26 0.31 0.69 -0.75 4.39 4.38 1ndhA1 THR 183 HB -0.16 0.22 0.18 -0.04 4.32 4.51 1ndhA1 THR 183 HG23 -0.09 0.01 -0.19 -0.04 1.22 0.91 1ndhA1 GLU 184 H -0.32 0.31 0.17 -0.55 8.60 8.22 1ndhA1 GLU 184 HA -0.35 0.12 0.32 -0.75 4.29 3.62 1ndhA1 GLU 184 HB2 -0.56 0.04 0.12 -0.04 2.09 1.65 1ndhA1 GLU 184 HB3 -0.23 -0.02 0.10 -0.04 1.99 1.80 1ndhA1 GLU 184 HG2 -0.09 0.03 -0.09 -0.04 2.34 2.16 1ndhA1 GLU 184 HG3 -0.09 0.02 0.08 -0.04 2.34 2.31 1ndhA1 LYS 185 H -0.15 -0.09 -0.59 -0.55 8.42 7.04 1ndhA1 LYS 185 HA -0.05 0.15 0.53 -0.75 4.32 4.20 1ndhA1 LYS 185 HB2 -0.05 0.12 0.06 -0.04 1.87 1.97 1ndhA1 LYS 185 HB3 -0.08 -0.03 0.05 -0.04 1.79 1.69 1ndhA1 LYS 185 HG2 -0.05 0.10 -0.03 -0.04 1.46 1.44 1ndhA1 LYS 185 HG3 -0.08 0.02 0.02 -0.04 1.46 1.38 1ndhA1 LYS 185 HD2 -0.12 -0.13 0.06 -0.04 1.69 1.45 1ndhA1 LYS 185 HD3 -0.11 -0.19 0.03 -0.04 1.68 1.37 1ndhA1 LYS 185 HE2 -0.07 0.07 0.05 -0.04 2.99 3.00 1ndhA1 LYS 185 HE3 -0.10 -0.19 0.16 -0.04 2.99 2.81 1ndhA1 ASP 186 H -0.10 0.14 -0.07 -0.55 8.40 7.82 1ndhA1 ASP 186 HA -0.03 0.21 0.46 -0.75 4.63 4.51 1ndhA1 ASP 186 HB2 -0.06 -0.01 0.12 -0.04 2.71 2.71 1ndhA1 ASP 186 HB3 -0.09 -0.08 0.18 -0.04 2.70 2.67 1ndhA1 ILE 187 H -0.07 0.31 -0.89 -0.55 8.25 7.05 1ndhA1 ILE 187 HA -0.24 0.10 0.60 -0.75 4.18 3.88 1ndhA1 ILE 187 HB -0.06 0.04 0.12 -0.04 1.89 1.94 1ndhA1 ILE 187 HG12 -0.27 0.03 -0.12 -0.04 1.49 1.09 1ndhA1 ILE 187 HG13 -0.21 -0.05 -0.10 -0.04 1.21 0.81 1ndhA1 ILE 187 HG23 0.06 0.00 -0.18 -0.04 0.93 0.77 1ndhA1 ILE 187 HD13 -0.37 0.01 -0.01 -0.04 0.88 0.47 1ndhA1 LEU 188 H 0.03 0.31 0.08 -0.55 8.37 8.24 1ndhA1 LEU 188 HA -0.83 0.00 0.20 -0.75 4.35 2.97 1ndhA1 LEU 188 HB2 0.12 0.09 0.02 -0.04 1.64 1.84 1ndhA1 LEU 188 HB3 -0.11 0.04 -0.31 -0.04 1.64 1.22 1ndhA1 LEU 188 HG -0.14 0.01 -0.07 -0.04 1.64 1.40 1ndhA1 LEU 188 HD13 0.03 0.03 -0.07 -0.04 0.93 0.87 1ndhA1 LEU 188 HD23 -0.34 -0.02 -0.11 -0.04 0.89 0.38 1ndhA1 LEU 189 H -0.09 0.06 0.12 -0.55 8.37 7.91 1ndhA1 LEU 189 HA 0.22 -0.08 0.25 -0.75 4.35 3.99 1ndhA1 LEU 189 HB2 0.08 0.25 -0.18 -0.04 1.64 1.75 1ndhA1 LEU 189 HB3 0.08 0.19 0.09 -0.04 1.64 1.96 1ndhA1 LEU 189 HG 0.01 -0.14 -0.22 -0.04 1.64 1.24 1ndhA1 LEU 189 HD13 0.02 0.03 -0.09 -0.04 0.93 0.84 1ndhA1 LEU 189 HD23 0.12 0.00 0.02 -0.04 0.89 1.00 1ndhA1 ARG 190 H 0.30 0.17 -0.36 -0.55 8.46 8.02 1ndhA1 ARG 190 HA 0.27 0.10 0.17 -0.75 4.34 4.13 1ndhA1 ARG 190 HB2 0.14 0.13 -0.06 -0.04 1.90 2.07 1ndhA1 ARG 190 HB3 0.11 -0.01 -0.01 -0.04 1.80 1.84 1ndhA1 ARG 190 HG2 0.11 -0.03 -0.20 -0.04 1.67 1.51 1ndhA1 ARG 190 HG3 0.07 0.01 -0.08 -0.04 1.67 1.63 1ndhA1 ARG 190 HD2 -0.10 0.05 -0.02 -0.04 3.22 3.12 1ndhA1 ARG 190 HD3 -0.00 -0.01 -0.07 -0.04 3.22 3.10 1ndhA1 PRO 191 HA 0.07 0.16 0.48 -0.51 4.44 4.64 1ndhA1 PRO 191 HB2 0.04 0.01 0.08 -0.04 2.28 2.37 1ndhA1 PRO 191 HB3 0.03 0.11 0.07 -0.04 2.02 2.19 1ndhA1 PRO 191 HG2 -0.00 0.06 0.05 -0.04 2.03 2.09 1ndhA1 PRO 191 HG3 0.02 0.12 0.05 -0.04 2.03 2.18 1ndhA1 PRO 191 HD2 0.18 -0.04 -0.13 -0.04 3.68 3.64 1ndhA1 PRO 191 HD3 0.14 0.16 0.09 -0.04 3.65 3.99 1ndhA1 GLU 192 H 0.09 0.10 -0.12 -0.55 8.60 8.12 1ndhA1 GLU 192 HA 0.06 0.08 0.14 -0.75 4.29 3.81 1ndhA1 GLU 192 HB2 0.13 -0.07 0.09 -0.04 2.09 2.20 1ndhA1 GLU 192 HB3 0.08 0.09 0.05 -0.04 1.99 2.17 1ndhA1 GLU 192 HG2 0.07 0.04 -0.00 -0.04 2.34 2.41 1ndhA1 GLU 192 HG3 0.05 0.01 0.03 -0.04 2.34 2.39 1ndhA1 LEU 193 H 0.07 -0.06 -0.09 -0.55 8.37 7.75 1ndhA1 LEU 193 HA 0.08 0.20 0.22 -0.75 4.35 4.09 1ndhA1 LEU 193 HB2 0.05 -0.09 -0.08 -0.04 1.64 1.47 1ndhA1 LEU 193 HB3 0.05 0.05 0.09 -0.04 1.64 1.79 1ndhA1 LEU 193 HG 0.08 -0.05 0.02 -0.04 1.64 1.64 1ndhA1 LEU 193 HD13 0.05 0.01 0.02 -0.04 0.93 0.97 1ndhA1 LEU 193 HD23 0.05 -0.01 0.00 -0.04 0.89 0.89 1ndhA1 GLU 194 H 0.13 0.25 -0.68 -0.55 8.60 7.75 1ndhA1 GLU 194 HA 0.15 0.05 0.43 -0.75 4.29 4.16 1ndhA1 GLU 194 HB2 0.19 0.31 0.02 -0.04 2.09 2.57 1ndhA1 GLU 194 HB3 0.22 0.05 0.06 -0.04 1.99 2.28 1ndhA1 GLU 194 HG2 0.25 -0.07 -0.13 -0.04 2.34 2.34 1ndhA1 GLU 194 HG3 0.23 -0.05 -0.07 -0.04 2.34 2.40 1ndhA1 GLU 195 H 0.15 0.50 -0.07 -0.55 8.60 8.63 1ndhA1 GLU 195 HA 0.13 -0.07 0.53 -0.75 4.29 4.13 1ndhA1 GLU 195 HB2 0.10 0.05 0.23 -0.04 2.09 2.43 1ndhA1 GLU 195 HB3 0.09 -0.04 0.15 -0.04 1.99 2.15 1ndhA1 GLU 195 HG2 0.16 -0.01 -0.05 -0.04 2.34 2.40 1ndhA1 GLU 195 HG3 0.19 0.20 0.03 -0.04 2.34 2.72 1ndhA1 LEU 196 H 0.25 1.27 -0.38 -0.55 8.37 8.95 1ndhA1 LEU 196 HA 0.11 -0.02 0.40 -0.75 4.35 4.09 1ndhA1 LEU 196 HB2 0.13 -0.09 0.11 -0.04 1.64 1.75 1ndhA1 LEU 196 HB3 0.09 0.06 0.06 -0.04 1.64 1.81 1ndhA1 LEU 196 HG 0.04 0.54 0.17 -0.04 1.64 2.34 1ndhA1 LEU 196 HD13 -0.01 0.02 -0.18 -0.04 0.93 0.72 1ndhA1 LEU 196 HD23 -0.01 -0.04 -0.04 -0.04 0.89 0.76 1ndhA1 ARG 197 H 0.22 0.07 0.22 -0.55 8.46 8.41 1ndhA1 ARG 197 HA 0.33 0.22 0.41 -0.75 4.34 4.55 1ndhA1 ARG 197 HB2 -0.03 0.10 0.11 -0.04 1.90 2.03 1ndhA1 ARG 197 HB3 0.09 -0.16 0.18 -0.04 1.80 1.88 1ndhA1 ARG 197 HG2 0.02 0.00 -0.07 -0.04 1.67 1.58 1ndhA1 ARG 197 HG3 -0.09 0.03 0.08 -0.04 1.67 1.65 1ndhA1 ARG 197 HD2 0.05 -0.10 -0.03 -0.04 3.22 3.10 1ndhA1 ARG 197 HD3 0.04 -0.00 -0.11 -0.04 3.22 3.11 1ndhA1 ASN 198 H 0.10 -0.05 -0.20 -0.55 8.53 7.84 1ndhA1 ASN 198 HA 0.03 0.10 0.42 -0.75 4.76 4.56 1ndhA1 ASN 198 HB2 0.05 0.07 -0.01 -0.04 2.88 2.94 1ndhA1 ASN 198 HB3 0.03 0.04 0.03 -0.04 2.79 2.85 1ndhA1 ASN 198 HD21 0.04 0.02 -0.03 -0.04 7.03 7.02 1ndhA1 ASN 198 HD22 0.03 0.04 0.01 -0.04 7.74 7.78 1ndhA1 GLU 199 H 0.01 0.01 -0.40 -0.55 8.60 7.68 1ndhA1 GLU 199 HA -0.12 0.09 0.34 -0.75 4.29 3.85 1ndhA1 GLU 199 HB2 -0.10 -0.11 0.03 -0.04 2.09 1.87 1ndhA1 GLU 199 HB3 -0.60 0.16 -0.19 -0.04 1.99 1.31 1ndhA1 GLU 199 HG2 -0.14 -0.05 0.02 -0.04 2.34 2.13 1ndhA1 GLU 199 HG3 -0.12 -0.02 -0.01 -0.04 2.34 2.15 1ndhA1 HIS 200 H 0.10 0.16 -0.53 -0.55 8.41 7.60 1ndhA1 HIS 200 HA 0.07 0.14 0.74 -0.75 4.63 4.83 1ndhA1 HIS 200 HB2 0.13 0.10 0.10 -0.04 3.26 3.55 1ndhA1 HIS 200 HB3 0.08 -0.05 0.20 -0.04 3.20 3.39 1ndhA1 HIS 200 HD2 0.02 0.06 -0.06 -0.04 6.97 6.94 1ndhA1 HIS 200 HE1 0.02 0.01 -0.03 -0.04 7.75 7.71 1ndhA1 SER 201 H 0.08 0.28 0.02 -0.55 8.46 8.29 1ndhA1 SER 201 HA 0.11 0.25 0.54 -0.75 4.49 4.63 1ndhA1 SER 201 HB2 0.03 -0.04 0.10 -0.04 3.95 4.00 1ndhA1 SER 201 HB3 0.03 -0.02 0.21 -0.04 3.93 4.12 1ndhA1 ALA 202 H 0.09 0.04 -0.43 -0.55 8.40 7.56 1ndhA1 ALA 202 HA 0.04 0.05 0.37 -0.75 4.34 4.05 1ndhA1 ALA 202 HB3 0.06 -0.00 0.03 -0.04 1.41 1.45 1ndhA1 ARG 203 H 0.14 0.30 -0.11 -0.55 8.46 8.23 1ndhA1 ARG 203 HA 0.06 0.23 0.95 -0.75 4.34 4.83 1ndhA1 ARG 203 HB2 0.11 0.01 0.05 -0.04 1.90 2.02 1ndhA1 ARG 203 HB3 0.08 -0.04 0.12 -0.04 1.80 1.92 1ndhA1 ARG 203 HG2 0.07 0.19 -0.02 -0.04 1.67 1.87 1ndhA1 ARG 203 HG3 0.10 -0.03 -0.11 -0.04 1.67 1.58 1ndhA1 ARG 203 HD2 0.12 -0.06 -0.03 -0.04 3.22 3.21 1ndhA1 ARG 203 HD3 0.12 -0.08 0.03 -0.04 3.22 3.25 1ndhA1 PHE 204 H 0.16 0.18 -0.07 -0.55 8.34 8.06 1ndhA1 PHE 204 HA -0.04 0.25 0.98 -0.75 4.62 5.05 1ndhA1 PHE 204 HB2 0.02 0.02 -0.10 -0.04 3.15 3.05 1ndhA1 PHE 204 HB3 0.06 -0.05 -0.00 -0.04 3.06 3.03 1ndhA1 PHE 204 HD2 0.02 0.05 -0.11 -0.04 7.28 7.20 1ndhA1 PHE 204 HE2 0.00 0.08 -0.09 -0.04 7.38 7.33 1ndhA1 PHE 204 HZ -0.03 -0.07 -0.10 -0.04 7.32 7.08 1ndhA1 LYS 205 H -0.15 0.86 0.35 -0.55 8.42 8.92 1ndhA1 LYS 205 HA -0.23 0.11 0.93 -0.75 4.32 4.37 1ndhA1 LYS 205 HB2 -0.14 -0.04 0.23 -0.04 1.87 1.88 1ndhA1 LYS 205 HB3 -0.03 -0.00 0.05 -0.04 1.79 1.77 1ndhA1 LYS 205 HG2 -0.58 0.09 -0.15 -0.04 1.46 0.77 1ndhA1 LYS 205 HG3 -0.24 -0.01 -0.08 -0.04 1.46 1.08 1ndhA1 LYS 205 HD2 -0.05 -0.06 -0.08 -0.04 1.69 1.45 1ndhA1 LYS 205 HD3 -0.10 -0.05 -0.69 -0.04 1.68 0.80 1ndhA1 LYS 205 HE2 -0.10 0.02 -0.21 -0.04 2.99 2.66 1ndhA1 LYS 205 HE3 -0.05 -0.09 -0.08 -0.04 2.99 2.73 1ndhA1 LEU 206 H -0.27 0.19 0.22 -0.55 8.37 7.96 1ndhA1 LEU 206 HA -0.25 0.16 0.88 -0.75 4.35 4.39 1ndhA1 LEU 206 HB2 -0.65 0.01 0.02 -0.04 1.64 0.98 1ndhA1 LEU 206 HB3 -0.25 -0.03 0.06 -0.04 1.64 1.37 1ndhA1 LEU 206 HG -0.25 0.05 -0.10 -0.04 1.64 1.31 1ndhA1 LEU 206 HD13 -0.06 -0.04 -0.16 -0.04 0.93 0.63 1ndhA1 LEU 206 HD23 -0.41 -0.00 -0.12 -0.04 0.89 0.32 1ndhA1 TRP 207 H -0.08 0.58 0.32 -0.55 7.97 8.24 1ndhA1 TRP 207 HA -0.23 0.06 0.79 -0.75 4.62 4.49 1ndhA1 TRP 207 HB2 -0.06 0.08 -0.17 -0.04 3.23 3.04 1ndhA1 TRP 207 HB3 -0.27 -0.03 0.04 -0.04 3.23 2.92 1ndhA1 TRP 207 HD1 -0.24 -0.04 -0.14 -0.04 7.22 6.77 1ndhA1 TRP 207 HE1 0.02 -0.09 -0.06 -0.04 10.20 10.04 1ndhA1 TRP 207 HE3 0.13 0.18 0.08 -0.04 7.59 7.93 1ndhA1 TRP 207 HZ2 0.01 0.04 0.02 -0.04 7.44 7.47 1ndhA1 TRP 207 HZ3 0.09 -0.02 0.05 -0.04 7.13 7.21 1ndhA1 TRP 207 HH2 -0.03 -0.00 0.06 -0.04 7.19 7.18 1ndhA1 TYR 208 H -0.96 0.16 0.21 -0.55 8.29 7.14 1ndhA1 TYR 208 HA -0.01 0.32 1.13 -0.75 4.56 5.24 1ndhA1 TYR 208 HB2 -0.28 -0.10 0.02 -0.04 3.06 2.66 1ndhA1 TYR 208 HB3 0.07 0.05 0.04 -0.04 2.98 3.10 1ndhA1 TYR 208 HD2 -1.16 0.03 -0.04 -0.04 7.15 5.94 1ndhA1 TYR 208 HE2 -0.12 0.01 -0.12 -0.04 6.85 6.59 1ndhA1 THR 209 H 0.16 0.72 0.31 -0.55 8.28 8.92 1ndhA1 THR 209 HA 0.34 0.20 0.44 -0.75 4.39 4.63 1ndhA1 THR 209 HB 0.21 -0.00 -0.17 -0.04 4.32 4.32 1ndhA1 THR 209 HG23 -0.15 -0.04 -0.22 -0.04 1.22 0.77 1ndhA1 VAL 210 H 0.01 0.41 0.18 -0.55 8.24 8.30 1ndhA1 VAL 210 HA -0.23 0.43 0.73 -0.75 4.13 4.30 1ndhA1 VAL 210 HB -0.35 0.00 -0.23 -0.04 2.12 1.51 1ndhA1 VAL 210 HG13 -0.35 -0.04 -0.39 -0.04 0.97 0.14 1ndhA1 VAL 210 HG23 -0.90 -0.01 -0.24 -0.04 0.95 -0.24 1ndhA1 ASP 211 H -0.19 0.40 0.28 -0.55 8.40 8.33 1ndhA1 ASP 211 HA -0.09 -0.07 0.54 -0.75 4.63 4.25 1ndhA1 ASP 211 HB2 -0.12 0.34 0.46 -0.04 2.71 3.34 1ndhA1 ASP 211 HB3 -0.07 -0.01 0.04 -0.04 2.70 2.62 1ndhA1 ARG 212 H -0.17 0.51 0.27 -0.55 8.46 8.53 1ndhA1 ARG 212 HA -0.10 0.12 0.70 -0.75 4.34 4.31 1ndhA1 ARG 212 HB2 -0.09 0.01 0.10 -0.04 1.90 1.88 1ndhA1 ARG 212 HB3 -0.14 -0.02 0.25 -0.04 1.80 1.86 1ndhA1 ARG 212 HG2 -0.15 0.05 -0.52 -0.04 1.67 1.01 1ndhA1 ARG 212 HG3 -0.09 0.06 -0.05 -0.04 1.67 1.55 1ndhA1 ARG 212 HD2 -0.08 0.05 -0.05 -0.04 3.22 3.09 1ndhA1 ARG 212 HD3 -0.09 -0.01 0.01 -0.04 3.22 3.09 1ndhA1 ALA 213 H -0.14 0.21 0.10 -0.55 8.40 8.02 1ndhA1 ALA 213 HA -0.63 0.07 0.64 -0.75 4.34 3.67 1ndhA1 ALA 213 HB3 -0.15 0.03 -0.02 -0.04 1.41 1.24 1ndhA1 PRO 214 HA -0.06 0.11 0.50 -0.51 4.44 4.49 1ndhA1 PRO 214 HB2 0.02 -0.01 0.00 -0.04 2.28 2.26 1ndhA1 PRO 214 HB3 -0.07 0.05 0.09 -0.04 2.02 2.05 1ndhA1 PRO 214 HG2 0.06 0.05 0.02 -0.04 2.03 2.13 1ndhA1 PRO 214 HG3 -0.24 -0.01 0.09 -0.04 2.03 1.82 1ndhA1 PRO 214 HD2 -0.20 0.08 0.18 -0.04 3.68 3.71 1ndhA1 PRO 214 HD3 -0.78 0.15 0.28 -0.04 3.65 3.26 1ndhA1 GLU 215 H 0.01 0.12 0.12 -0.55 8.60 8.30 1ndhA1 GLU 215 HA 0.03 0.10 0.33 -0.75 4.29 4.00 1ndhA1 GLU 215 HB2 0.02 0.06 0.00 -0.04 2.09 2.14 1ndhA1 GLU 215 HB3 0.01 0.01 0.13 -0.04 1.99 2.11 1ndhA1 GLU 215 HG2 0.03 -0.00 -0.00 -0.04 2.34 2.32 1ndhA1 GLU 215 HG3 0.01 0.05 0.02 -0.04 2.34 2.37 1ndhA1 ALA 216 H 0.09 0.02 -0.28 -0.55 8.40 7.69 1ndhA1 ALA 216 HA 0.07 0.29 0.86 -0.75 4.34 4.81 1ndhA1 ALA 216 HB3 0.03 -0.00 0.02 -0.04 1.41 1.41 1ndhA1 TRP 217 H 0.28 0.36 -0.17 -0.55 7.97 7.89 1ndhA1 TRP 217 HA -0.03 -0.07 0.37 -0.75 4.62 4.13 1ndhA1 TRP 217 HB2 -0.01 0.11 0.09 -0.04 3.23 3.37 1ndhA1 TRP 217 HB3 -0.00 0.07 -0.01 -0.04 3.23 3.25 1ndhA1 TRP 217 HD1 0.04 0.05 -0.39 -0.04 7.22 6.88 1ndhA1 TRP 217 HE1 0.08 0.88 -0.03 -0.04 10.20 11.09 1ndhA1 TRP 217 HE3 -0.02 0.01 0.04 -0.04 7.59 7.57 1ndhA1 TRP 217 HZ2 -0.05 -0.01 -0.24 -0.04 7.44 7.10 1ndhA1 TRP 217 HZ3 -0.10 0.02 0.00 -0.04 7.13 7.01 1ndhA1 TRP 217 HH2 -0.45 0.03 -0.06 -0.04 7.19 6.67 1ndhA1 ASP 218 H -0.96 0.04 0.16 -0.55 8.40 7.09 1ndhA1 ASP 218 HA -0.42 0.23 0.76 -0.75 4.63 4.45 1ndhA1 ASP 218 HB2 -1.24 -0.08 0.05 -0.04 2.71 1.41 1ndhA1 ASP 218 HB3 -1.00 0.03 0.08 -0.04 2.70 1.77 1ndhA1 TYR 219 H -2.23 -0.11 -0.16 -0.55 8.29 5.24 1ndhA1 TYR 219 HA -0.70 0.23 0.87 -0.75 4.56 4.21 1ndhA1 TYR 219 HB2 -1.42 -0.05 0.06 -0.04 3.06 1.61 1ndhA1 TYR 219 HB3 -0.69 0.30 0.30 -0.04 2.98 2.85 1ndhA1 TYR 219 HD2 -2.74 -0.00 0.06 -0.04 7.15 4.43 1ndhA1 TYR 219 HE2 -0.62 0.06 -0.00 -0.04 6.85 6.24 1ndhA1 SER 220 H 0.42 0.45 0.25 -0.55 8.46 9.03 1ndhA1 SER 220 HA 0.40 0.16 0.68 -0.75 4.49 4.97 1ndhA1 SER 220 HB2 0.46 0.08 0.11 -0.04 3.95 4.56 1ndhA1 SER 220 HB3 0.33 -0.01 0.06 -0.04 3.93 4.27 1ndhA1 GLN 221 H 0.25 0.25 0.20 -0.55 8.47 8.63 1ndhA1 GLN 221 HA 0.09 0.17 0.91 -0.75 4.36 4.78 1ndhA1 GLN 221 HB2 0.15 -0.01 -0.15 -0.04 2.15 2.10 1ndhA1 GLN 221 HB3 0.15 -0.04 0.02 -0.04 2.02 2.11 1ndhA1 GLN 221 HG2 -0.06 0.18 0.09 -0.04 2.40 2.57 1ndhA1 GLN 221 HG3 -0.00 -0.12 0.01 -0.04 2.39 2.24 1ndhA1 GLN 221 HE21 0.01 -0.18 0.09 -0.04 6.97 6.85 1ndhA1 GLN 221 HE22 -0.03 1.01 0.40 -0.04 7.69 9.02 1ndhA1 GLY 222 H -0.03 0.62 0.29 -0.55 8.43 8.76 1ndhA1 GLY 222 HA2 0.00 -0.05 0.36 -0.51 4.01 3.82 1ndhA1 GLY 222 HA3 0.07 0.09 0.54 -0.51 4.01 4.20 1ndhA1 PHE 223 H 0.18 0.06 0.12 -0.55 8.34 8.15 1ndhA1 PHE 223 HA 0.08 0.45 1.23 -0.75 4.62 5.63 1ndhA1 PHE 223 HB2 0.07 0.02 0.03 -0.04 3.15 3.23 1ndhA1 PHE 223 HB3 0.09 0.02 0.12 -0.04 3.06 3.25 1ndhA1 PHE 223 HD2 0.08 0.12 -0.02 -0.04 7.28 7.42 1ndhA1 PHE 223 HE2 0.08 0.05 -0.08 -0.04 7.38 7.38 1ndhA1 PHE 223 HZ 0.09 0.05 -0.08 -0.04 7.32 7.34 1ndhA1 VAL 224 H 0.53 0.15 0.08 -0.55 8.24 8.45 1ndhA1 VAL 224 HA 0.24 0.08 0.27 -0.75 4.13 3.97 1ndhA1 VAL 224 HB -0.50 0.04 0.10 -0.04 2.12 1.72 1ndhA1 VAL 224 HG13 -0.00 0.02 -0.16 -0.04 0.97 0.79 1ndhA1 VAL 224 HG23 -0.08 0.02 -0.14 -0.04 0.95 0.71 1ndhA1 ASN 225 H 0.11 0.16 -0.22 -0.55 8.53 8.04 1ndhA1 ASN 225 HA 0.05 0.07 0.39 -0.75 4.76 4.51 1ndhA1 ASN 225 HB2 0.06 -0.19 0.12 -0.04 2.88 2.83 1ndhA1 ASN 225 HB3 0.07 0.10 0.10 -0.04 2.79 3.01 1ndhA1 ASN 225 HD21 0.16 0.12 -0.03 -0.04 7.03 7.24 1ndhA1 ASN 225 HD22 0.13 -0.03 0.06 -0.04 7.74 7.85 1ndhA1 GLU 226 H 0.06 0.27 0.71 -0.55 8.60 9.10 1ndhA1 GLU 226 HA 0.03 0.02 0.30 -0.75 4.29 3.89 1ndhA1 GLU 226 HB2 0.01 0.08 0.15 -0.04 2.09 2.29 1ndhA1 GLU 226 HB3 0.00 0.19 0.38 -0.04 1.99 2.52 1ndhA1 GLU 226 HG2 0.01 -0.10 -0.19 -0.04 2.34 2.02 1ndhA1 GLU 226 HG3 0.01 0.02 -0.40 -0.04 2.34 1.92 1ndhA1 GLU 227 H 0.04 0.13 0.12 -0.55 8.60 8.34 1ndhA1 GLU 227 HA 0.01 0.16 0.41 -0.75 4.29 4.12 1ndhA1 GLU 227 HB2 0.06 0.07 -0.13 -0.04 2.09 2.04 1ndhA1 GLU 227 HB3 0.02 0.09 0.06 -0.04 1.99 2.11 1ndhA1 GLU 227 HG2 0.06 -0.18 0.13 -0.04 2.34 2.31 1ndhA1 GLU 227 HG3 0.05 0.08 0.02 -0.04 2.34 2.46 1ndhA1 MET 228 H 0.10 0.03 -0.14 -0.55 8.47 7.91 1ndhA1 MET 228 HA 0.19 0.11 0.29 -0.75 4.52 4.36 1ndhA1 MET 228 HB2 0.17 -0.02 -0.06 -0.04 2.15 2.20 1ndhA1 MET 228 HB3 0.19 0.03 -0.08 -0.04 2.03 2.13 1ndhA1 MET 228 HG2 0.18 0.05 -0.12 -0.04 2.63 2.70 1ndhA1 MET 228 HG3 0.19 0.01 -0.06 -0.04 2.56 2.65 1ndhA1 MET 228 HE3 0.22 0.03 -0.33 -0.04 2.10 1.99 1ndhA1 ILE 229 H 0.09 0.08 -0.33 -0.55 8.25 7.54 1ndhA1 ILE 229 HA 0.09 0.07 0.29 -0.75 4.18 3.88 1ndhA1 ILE 229 HB 0.06 0.07 0.03 -0.04 1.89 2.01 1ndhA1 ILE 229 HG12 0.06 0.09 -0.07 -0.04 1.49 1.53 1ndhA1 ILE 229 HG13 0.08 -0.11 -0.07 -0.04 1.21 1.08 1ndhA1 ILE 229 HG23 0.08 0.02 -0.23 -0.04 0.93 0.76 1ndhA1 ILE 229 HD13 0.02 -0.01 -0.14 -0.04 0.88 0.72 1ndhA1 ARG 230 H 0.03 0.15 -0.51 -0.55 8.46 7.59 1ndhA1 ARG 230 HA -0.01 0.08 0.39 -0.75 4.34 4.05 1ndhA1 ARG 230 HB2 -0.01 0.01 0.26 -0.04 1.90 2.13 1ndhA1 ARG 230 HB3 -0.04 -0.03 -0.05 -0.04 1.80 1.63 1ndhA1 ARG 230 HG2 -0.02 0.03 0.02 -0.04 1.67 1.67 1ndhA1 ARG 230 HG3 -0.01 -0.00 -0.02 -0.04 1.67 1.60 1ndhA1 ARG 230 HD2 -0.02 -0.08 -0.02 -0.04 3.22 3.06 1ndhA1 ARG 230 HD3 -0.04 0.01 -0.01 -0.04 3.22 3.15 1ndhA1 ASP 231 H -0.09 0.39 -0.03 -0.55 8.40 8.13 1ndhA1 ASP 231 HA -0.24 0.13 0.58 -0.75 4.63 4.35 1ndhA1 ASP 231 HB2 -0.68 -0.00 -0.07 -0.04 2.71 1.91 1ndhA1 ASP 231 HB3 -0.57 -0.02 0.04 -0.04 2.70 2.12 1ndhA1 HIS 232 H -0.05 0.22 -0.37 -0.55 8.41 7.67 1ndhA1 HIS 232 HA -0.06 0.22 0.87 -0.75 4.63 4.91 1ndhA1 HIS 232 HB2 0.01 0.07 -0.05 -0.04 3.26 3.25 1ndhA1 HIS 232 HB3 0.05 -0.03 -0.04 -0.04 3.20 3.13 1ndhA1 HIS 232 HD2 -0.33 0.04 -0.09 -0.04 6.97 6.54 1ndhA1 HIS 232 HE1 -0.67 -0.06 -0.10 -0.04 7.75 6.87 1ndhA1 LEU 233 H -0.01 0.40 -0.10 -0.55 8.37 8.12 1ndhA1 LEU 233 HA -0.11 0.11 0.69 -0.75 4.35 4.29 1ndhA1 LEU 233 HB2 0.00 0.15 0.02 -0.04 1.64 1.77 1ndhA1 LEU 233 HB3 -0.07 -0.01 0.06 -0.04 1.64 1.58 1ndhA1 LEU 233 HG 0.01 -0.07 -0.12 -0.04 1.64 1.42 1ndhA1 LEU 233 HD13 0.11 0.05 -0.27 -0.04 0.93 0.79 1ndhA1 LEU 233 HD23 0.11 -0.12 -0.15 -0.04 0.89 0.69 1ndhA1 PRO 234 HA -0.21 0.09 0.39 -0.51 4.44 4.19 1ndhA1 PRO 234 HB2 -0.06 0.05 -0.15 -0.04 2.28 2.09 1ndhA1 PRO 234 HB3 -0.15 0.03 0.00 -0.04 2.02 1.86 1ndhA1 PRO 234 HG2 -0.09 -0.02 -0.21 -0.04 2.03 1.67 1ndhA1 PRO 234 HG3 -0.40 0.08 -0.11 -0.04 2.03 1.56 1ndhA1 PRO 234 HD2 -0.15 0.02 0.10 -0.04 3.68 3.60 1ndhA1 PRO 234 HD3 -0.41 0.16 0.13 -0.04 3.65 3.49 1ndhA1 PRO 235 HA -0.02 0.20 0.49 -0.51 4.44 4.60 1ndhA1 PRO 235 HB2 -0.05 -0.09 0.01 -0.04 2.28 2.10 1ndhA1 PRO 235 HB3 -0.05 0.11 0.10 -0.04 2.02 2.14 1ndhA1 PRO 235 HG2 -0.02 -0.10 -0.03 -0.04 2.03 1.84 1ndhA1 PRO 235 HG3 -0.03 0.04 0.03 -0.04 2.03 2.03 1ndhA1 PRO 235 HD2 -0.05 0.07 0.16 -0.04 3.68 3.83 1ndhA1 PRO 235 HD3 -0.06 0.23 0.17 -0.04 3.65 3.95 1ndhA1 PRO 236 HA -0.12 0.10 0.32 -0.51 4.44 4.23 1ndhA1 PRO 236 HB2 -0.15 -0.00 0.03 -0.04 2.28 2.12 1ndhA1 PRO 236 HB3 -0.31 0.09 -0.15 -0.04 2.02 1.60 1ndhA1 PRO 236 HG2 -0.18 0.01 0.14 -0.04 2.03 1.96 1ndhA1 PRO 236 HG3 -0.42 0.20 -0.08 -0.04 2.03 1.70 1ndhA1 PRO 236 HD2 -0.15 0.07 0.21 -0.04 3.68 3.77 1ndhA1 PRO 236 HD3 -0.42 0.18 0.13 -0.04 3.65 3.50 1ndhA1 GLU 237 H -0.07 0.13 -0.18 -0.55 8.60 7.94 1ndhA1 GLU 237 HA -0.03 0.00 0.22 -0.75 4.29 3.73 1ndhA1 GLU 237 HB2 -0.02 0.06 -0.15 -0.04 2.09 1.93 1ndhA1 GLU 237 HB3 -0.02 -0.02 0.05 -0.04 1.99 1.97 1ndhA1 GLU 237 HG2 -0.03 -0.01 0.01 -0.04 2.34 2.27 1ndhA1 GLU 237 HG3 -0.04 -0.01 0.06 -0.04 2.34 2.31 1ndhA1 GLU 238 H -0.00 0.55 -0.88 -0.55 8.60 7.72 1ndhA1 GLU 238 HA 0.01 0.05 0.65 -0.75 4.29 4.25 1ndhA1 GLU 238 HB2 0.01 -0.11 -0.02 -0.04 2.09 1.92 1ndhA1 GLU 238 HB3 0.01 0.22 -0.02 -0.04 1.99 2.16 1ndhA1 GLU 238 HG2 0.03 0.01 -0.09 -0.04 2.34 2.25 1ndhA1 GLU 238 HG3 0.03 -0.04 0.06 -0.04 2.34 2.35 1ndhA1 GLU 239 H 0.01 1.09 0.15 -0.55 8.60 9.31 1ndhA1 GLU 239 HA 0.03 -0.00 0.38 -0.75 4.29 3.95 1ndhA1 GLU 239 HB2 0.02 0.10 0.08 -0.04 2.09 2.24 1ndhA1 GLU 239 HB3 0.02 -0.07 0.18 -0.04 1.99 2.07 1ndhA1 GLU 239 HG2 0.01 0.06 -0.07 -0.04 2.34 2.30 1ndhA1 GLU 239 HG3 0.01 0.04 -0.25 -0.04 2.34 2.09 1ndhA1 PRO 240 HA 0.00 0.20 0.69 -0.51 4.44 4.83 1ndhA1 PRO 240 HB2 -0.04 -0.01 -0.10 -0.04 2.28 2.09 1ndhA1 PRO 240 HB3 0.00 -0.05 -0.13 -0.04 2.02 1.81 1ndhA1 PRO 240 HG2 0.03 -0.04 -0.27 -0.04 2.03 1.71 1ndhA1 PRO 240 HG3 0.08 0.08 -0.36 -0.04 2.03 1.78 1ndhA1 PRO 240 HD2 0.13 -0.00 0.07 -0.04 3.68 3.84 1ndhA1 PRO 240 HD3 0.06 0.08 -0.18 -0.04 3.65 3.57 1ndhA1 LEU 241 H -0.10 0.35 0.43 -0.55 8.37 8.51 1ndhA1 LEU 241 HA -0.13 0.19 0.79 -0.75 4.35 4.44 1ndhA1 LEU 241 HB2 -0.30 0.02 0.19 -0.04 1.64 1.51 1ndhA1 LEU 241 HB3 -0.44 -0.08 0.04 -0.04 1.64 1.11 1ndhA1 LEU 241 HG -0.36 0.02 0.05 -0.04 1.64 1.30 1ndhA1 LEU 241 HD13 -1.15 -0.03 -0.10 -0.04 0.93 -0.40 1ndhA1 LEU 241 HD23 -0.17 0.02 0.02 -0.04 0.89 0.72 1ndhA1 VAL 242 H -0.12 0.86 0.37 -0.55 8.24 8.80 1ndhA1 VAL 242 HA -0.12 0.24 0.95 -0.75 4.13 4.44 1ndhA1 VAL 242 HB -0.12 -0.10 0.14 -0.04 2.12 2.00 1ndhA1 VAL 242 HG13 -0.11 -0.04 -0.17 -0.04 0.97 0.61 1ndhA1 VAL 242 HG23 -0.38 0.03 -0.20 -0.04 0.95 0.36 1ndhA1 LEU 243 H -0.04 0.90 0.36 -0.55 8.37 9.04 1ndhA1 LEU 243 HA -0.01 0.33 0.94 -0.75 4.35 4.86 1ndhA1 LEU 243 HB2 0.03 0.10 0.16 -0.04 1.64 1.90 1ndhA1 LEU 243 HB3 0.06 -0.07 0.02 -0.04 1.64 1.61 1ndhA1 LEU 243 HG -0.34 -0.04 -0.08 -0.04 1.64 1.14 1ndhA1 LEU 243 HD13 -0.30 -0.00 -0.34 -0.04 0.93 0.25 1ndhA1 LEU 243 HD23 -0.05 0.02 -0.11 -0.04 0.89 0.70 1ndhA1 MET 244 H 0.05 0.50 0.41 -0.55 8.47 8.87 1ndhA1 MET 244 HA 0.06 -0.17 0.51 -0.75 4.52 4.17 1ndhA1 MET 244 HB2 0.21 0.02 0.20 -0.04 2.15 2.53 1ndhA1 MET 244 HB3 0.12 0.26 0.40 -0.04 2.03 2.77 1ndhA1 MET 244 HG2 0.11 0.01 0.18 -0.04 2.63 2.89 1ndhA1 MET 244 HG3 0.26 -0.39 0.25 -0.04 2.56 2.64 1ndhA1 MET 244 HE3 0.05 -0.01 0.10 -0.04 2.10 2.19 1ndhA1 CYS 245 H 0.00 0.05 -0.14 -0.55 8.50 7.86 1ndhA1 CYS 245 HA 0.00 0.01 0.23 -0.75 4.58 4.06 1ndhA1 CYS 245 HB2 -0.00 0.03 -0.11 -0.04 2.97 2.85 1ndhA1 CYS 245 HB3 -0.00 -0.19 -0.06 -0.04 2.97 2.68 1ndhA1 GLY 246 H 0.01 0.10 -0.28 -0.55 8.43 7.72 1ndhA1 GLY 246 HA2 -0.07 0.07 0.65 -0.51 4.01 4.15 1ndhA1 GLY 246 HA3 -0.07 -0.02 0.24 -0.51 4.01 3.66 1ndhA1 PRO 247 HA 0.21 0.04 0.22 -0.51 4.44 4.40 1ndhA1 PRO 247 HB2 0.22 -0.08 -0.01 -0.04 2.28 2.36 1ndhA1 PRO 247 HB3 0.46 0.02 -0.02 -0.04 2.02 2.43 1ndhA1 PRO 247 HG2 0.10 0.11 0.06 -0.04 2.03 2.27 1ndhA1 PRO 247 HG3 0.52 -0.03 0.00 -0.04 2.03 2.47 1ndhA1 PRO 247 HD2 -0.19 0.09 0.15 -0.04 3.68 3.68 1ndhA1 PRO 247 HD3 0.01 0.08 0.06 -0.04 3.65 3.75 1ndhA1 PRO 248 HA 0.04 0.03 0.36 -0.51 4.44 4.36 1ndhA1 PRO 248 HB2 0.06 -0.04 0.15 -0.04 2.28 2.41 1ndhA1 PRO 248 HB3 0.06 -0.00 0.20 -0.04 2.02 2.23 1ndhA1 PRO 248 HG2 0.11 -0.12 0.36 -0.04 2.03 2.33 1ndhA1 PRO 248 HG3 0.11 0.19 0.32 -0.04 2.03 2.61 1ndhA1 PRO 248 HD2 0.18 -0.80 0.54 -0.04 3.68 3.55 1ndhA1 PRO 248 HD3 0.14 0.70 0.44 -0.04 3.65 4.89 1ndhA1 PRO 249 HA -0.00 -0.12 0.36 -0.51 4.44 4.16 1ndhA1 PRO 249 HB2 0.02 0.12 -0.03 -0.04 2.28 2.35 1ndhA1 PRO 249 HB3 0.01 -0.02 0.02 -0.04 2.02 1.99 1ndhA1 PRO 249 HG2 0.10 -0.00 -0.07 -0.04 2.03 2.01 1ndhA1 PRO 249 HG3 0.06 -0.04 -0.02 -0.04 2.03 1.99 1ndhA1 PRO 249 HD2 0.11 -0.15 -0.85 -0.04 3.68 2.75 1ndhA1 PRO 249 HD3 0.09 0.12 -0.02 -0.04 3.65 3.80 1ndhA1 MET 250 H -0.04 0.03 0.17 -0.55 8.47 8.08 1ndhA1 MET 250 HA -0.05 0.02 0.35 -0.75 4.52 4.09 1ndhA1 MET 250 HB2 -0.06 0.04 0.13 -0.04 2.15 2.22 1ndhA1 MET 250 HB3 -0.06 -0.06 0.14 -0.04 2.03 2.01 1ndhA1 MET 250 HG2 -0.07 0.02 0.09 -0.04 2.63 2.63 1ndhA1 MET 250 HG3 -0.06 -0.02 0.01 -0.04 2.56 2.45 1ndhA1 MET 250 HE3 -0.11 -0.01 -0.05 -0.04 2.10 1.89 1ndhA1 ILE 251 H -0.04 0.28 -0.13 -0.55 8.25 7.80 1ndhA1 ILE 251 HA -0.06 0.09 0.26 -0.75 4.18 3.72 1ndhA1 ILE 251 HB -0.05 -0.04 0.02 -0.04 1.89 1.79 1ndhA1 ILE 251 HG12 -0.04 -0.12 0.08 -0.04 1.49 1.37 1ndhA1 ILE 251 HG13 -0.04 -0.04 0.02 -0.04 1.21 1.11 1ndhA1 ILE 251 HG23 -0.06 -0.01 0.05 -0.04 0.93 0.88 1ndhA1 ILE 251 HD13 -0.02 0.02 0.06 -0.04 0.88 0.90 1ndhA1 GLN 252 H -0.17 0.08 -0.14 -0.55 8.47 7.70 1ndhA1 GLN 252 HA -0.06 0.19 1.23 -0.75 4.36 4.96 1ndhA1 GLN 252 HB2 -0.24 -0.05 0.10 -0.04 2.15 1.92 1ndhA1 GLN 252 HB3 -0.11 -0.12 0.13 -0.04 2.02 1.87 1ndhA1 GLN 252 HG2 -0.08 0.31 0.09 -0.04 2.40 2.67 1ndhA1 GLN 252 HG3 -0.06 -0.12 0.04 -0.04 2.39 2.21 1ndhA1 GLN 252 HE21 -0.02 -0.00 0.04 -0.04 6.97 6.94 1ndhA1 GLN 252 HE22 -0.01 -0.07 0.05 -0.04 7.69 7.62 1ndhA1 TYR 253 H 0.05 0.09 0.17 -0.55 8.29 8.06 1ndhA1 TYR 253 HA -0.02 -0.07 0.32 -0.75 4.56 4.03 1ndhA1 TYR 253 HB2 -0.04 0.43 0.46 -0.04 3.06 3.87 1ndhA1 TYR 253 HB3 -0.03 -0.10 0.14 -0.04 2.98 2.94 1ndhA1 TYR 253 HD2 -0.05 -0.02 -0.02 -0.04 7.15 7.02 1ndhA1 TYR 253 HE2 -0.07 -0.05 -0.03 -0.04 6.85 6.66 1ndhA1 ALA 254 H 0.05 0.13 -0.06 -0.55 8.40 7.97 1ndhA1 ALA 254 HA 0.01 -0.00 0.29 -0.75 4.34 3.88 1ndhA1 ALA 254 HB3 0.02 0.02 0.23 -0.04 1.41 1.63 1ndhA1 CYS 255 H 0.01 0.04 -0.07 -0.55 8.50 7.93 1ndhA1 CYS 255 HA -0.01 0.11 0.34 -0.75 4.58 4.27 1ndhA1 CYS 255 HB2 -0.01 0.08 0.04 -0.04 2.97 3.03 1ndhA1 CYS 255 HB3 0.00 0.03 0.01 -0.04 2.97 2.98 1ndhA1 LEU 256 H 0.01 0.12 0.01 -0.55 8.37 7.97 1ndhA1 LEU 256 HA 0.07 0.32 0.66 -0.75 4.35 4.65 1ndhA1 LEU 256 HB2 0.01 -0.01 0.03 -0.04 1.64 1.63 1ndhA1 LEU 256 HB3 -0.01 -0.24 -0.05 -0.04 1.64 1.30 1ndhA1 LEU 256 HG -0.00 0.42 -0.48 -0.04 1.64 1.54 1ndhA1 LEU 256 HD13 -0.04 -0.04 -0.03 -0.04 0.93 0.78 1ndhA1 LEU 256 HD23 0.05 0.00 -0.44 -0.04 0.89 0.47 1ndhA1 PRO 257 HA -0.05 0.12 0.40 -0.51 4.44 4.39 1ndhA1 PRO 257 HB2 -0.18 0.01 0.02 -0.04 2.28 2.09 1ndhA1 PRO 257 HB3 -0.14 0.06 0.08 -0.04 2.02 1.98 1ndhA1 PRO 257 HG2 -0.58 0.03 0.08 -0.04 2.03 1.51 1ndhA1 PRO 257 HG3 -0.15 0.20 0.06 -0.04 2.03 2.09 1ndhA1 PRO 257 HD2 -0.15 -0.01 0.17 -0.04 3.68 3.66 1ndhA1 PRO 257 HD3 0.03 0.37 0.25 -0.04 3.65 4.25 1ndhA1 ASN 258 H -0.06 0.13 -0.19 -0.55 8.53 7.87 1ndhA1 ASN 258 HA -0.02 0.13 0.43 -0.75 4.76 4.54 1ndhA1 ASN 258 HB2 -0.03 0.00 -0.03 -0.04 2.88 2.78 1ndhA1 ASN 258 HB3 0.01 0.03 -0.06 -0.04 2.79 2.72 1ndhA1 ASN 258 HD21 -0.03 0.38 0.03 -0.04 7.03 7.36 1ndhA1 ASN 258 HD22 -0.02 -0.06 0.04 -0.04 7.74 7.65 1ndhA1 LEU 259 H 0.01 0.05 -0.32 -0.55 8.37 7.56 1ndhA1 LEU 259 HA 0.14 0.10 0.42 -0.75 4.35 4.26 1ndhA1 LEU 259 HB2 0.02 0.03 0.07 -0.04 1.64 1.72 1ndhA1 LEU 259 HB3 0.05 0.09 -0.06 -0.04 1.64 1.69 1ndhA1 LEU 259 HG 0.00 -0.06 -0.03 -0.04 1.64 1.51 1ndhA1 LEU 259 HD13 -0.03 -0.03 -0.03 -0.04 0.93 0.80 1ndhA1 LEU 259 HD23 -0.10 0.04 -0.07 -0.04 0.89 0.71 1ndhA1 GLU 260 H 0.01 0.26 -0.32 -0.55 8.60 8.00 1ndhA1 GLU 260 HA 0.02 0.23 0.36 -0.75 4.29 4.14 1ndhA1 GLU 260 HB2 -0.01 0.04 0.14 -0.04 2.09 2.22 1ndhA1 GLU 260 HB3 -0.01 0.02 -0.08 -0.04 1.99 1.88 1ndhA1 GLU 260 HG2 0.00 0.01 -0.00 -0.04 2.34 2.31 1ndhA1 GLU 260 HG3 -0.00 -0.02 -0.03 -0.04 2.34 2.25 1ndhA1 ARG 261 H -0.01 0.38 -0.13 -0.55 8.46 8.15 1ndhA1 ARG 261 HA -0.02 -0.01 0.33 -0.75 4.34 3.89 1ndhA1 ARG 261 HB2 -0.01 0.15 0.18 -0.04 1.90 2.18 1ndhA1 ARG 261 HB3 -0.01 -0.01 -0.08 -0.04 1.80 1.66 1ndhA1 ARG 261 HG2 -0.03 0.03 0.06 -0.04 1.67 1.69 1ndhA1 ARG 261 HG3 -0.02 -0.06 0.01 -0.04 1.67 1.56 1ndhA1 ARG 261 HD2 -0.02 -0.03 0.02 -0.04 3.22 3.15 1ndhA1 ARG 261 HD3 -0.02 -0.04 -0.00 -0.04 3.22 3.12 1ndhA1 VAL 262 H 0.00 0.31 -0.36 -0.55 8.24 7.64 1ndhA1 VAL 262 HA -0.05 0.06 0.56 -0.75 4.13 3.96 1ndhA1 VAL 262 HB -0.07 -0.03 0.14 -0.04 2.12 2.13 1ndhA1 VAL 262 HG13 0.02 0.03 -0.03 -0.04 0.97 0.94 1ndhA1 VAL 262 HG23 -0.09 0.03 -0.11 -0.04 0.95 0.74 1ndhA1 GLY 263 H -0.04 0.44 -0.59 -0.55 8.43 7.69 1ndhA1 GLY 263 HA2 -0.05 0.05 0.27 -0.51 4.01 3.77 1ndhA1 GLY 263 HA3 -0.10 0.03 0.61 -0.51 4.01 4.04 1ndhA1 HIS 264 H -0.06 0.41 0.03 -0.55 8.41 8.25 1ndhA1 HIS 264 HA -0.02 0.06 0.37 -0.75 4.63 4.29 1ndhA1 HIS 264 HB2 -0.02 -0.10 -0.05 -0.04 3.26 3.05 1ndhA1 HIS 264 HB3 -0.02 0.06 -0.12 -0.04 3.20 3.07 1ndhA1 HIS 264 HD2 -0.03 0.07 -0.08 -0.04 6.97 6.88 1ndhA1 HIS 264 HE1 -0.04 0.07 -0.10 -0.04 7.75 7.64 1ndhA1 PRO 265 HA 0.02 0.06 0.45 -0.51 4.44 4.46 1ndhA1 PRO 265 HB2 0.02 -0.10 0.04 -0.04 2.28 2.20 1ndhA1 PRO 265 HB3 0.01 0.00 0.11 -0.04 2.02 2.10 1ndhA1 PRO 265 HG2 0.02 0.07 0.10 -0.04 2.03 2.17 1ndhA1 PRO 265 HG3 0.00 0.11 0.12 -0.04 2.03 2.23 1ndhA1 PRO 265 HD2 0.08 0.12 0.20 -0.04 3.68 4.04 1ndhA1 PRO 265 HD3 0.03 0.21 0.31 -0.04 3.65 4.15 1ndhA1 LYS 266 H 0.01 0.15 0.16 -0.55 8.42 8.19 1ndhA1 LYS 266 HA 0.01 0.14 0.39 -0.75 4.32 4.11 1ndhA1 LYS 266 HB2 0.00 0.00 0.15 -0.04 1.87 1.98 1ndhA1 LYS 266 HB3 0.01 0.02 0.10 -0.04 1.79 1.88 1ndhA1 LYS 266 HG2 0.00 0.01 -0.06 -0.04 1.46 1.37 1ndhA1 LYS 266 HG3 -0.00 0.01 -0.01 -0.04 1.46 1.41 1ndhA1 LYS 266 HD2 0.00 0.02 0.05 -0.04 1.69 1.72 1ndhA1 LYS 266 HD3 0.00 -0.00 0.05 -0.04 1.68 1.68 1ndhA1 LYS 266 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 1ndhA1 LYS 266 HE3 -0.00 0.00 0.00 -0.04 2.99 2.95 1ndhA1 GLU 267 H 0.01 0.03 -0.31 -0.55 8.60 7.79 1ndhA1 GLU 267 HA 0.01 0.12 0.41 -0.75 4.29 4.08 1ndhA1 GLU 267 HB2 0.01 0.09 -0.13 -0.04 2.09 2.02 1ndhA1 GLU 267 HB3 0.01 0.03 0.08 -0.04 1.99 2.07 1ndhA1 GLU 267 HG2 0.01 0.02 0.00 -0.04 2.34 2.33 1ndhA1 GLU 267 HG3 0.01 0.03 0.01 -0.04 2.34 2.35 1ndhA1 ARG 268 H 0.01 0.28 -0.44 -0.55 8.46 7.76 1ndhA1 ARG 268 HA -0.02 0.17 0.78 -0.75 4.34 4.51 1ndhA1 ARG 268 HB2 0.02 0.01 0.08 -0.04 1.90 1.97 1ndhA1 ARG 268 HB3 -0.02 0.11 0.24 -0.04 1.80 2.08 1ndhA1 ARG 268 HG2 -0.02 0.01 0.00 -0.04 1.67 1.62 1ndhA1 ARG 268 HG3 0.00 -0.16 -0.12 -0.04 1.67 1.35 1ndhA1 ARG 268 HD2 0.02 -0.12 0.00 -0.04 3.22 3.08 1ndhA1 ARG 268 HD3 0.01 0.45 -0.06 -0.04 3.22 3.58 1ndhA1 CYS 269 H 0.00 0.32 -0.36 -0.55 8.50 7.91 1ndhA1 CYS 269 HA -0.04 0.26 0.99 -0.75 4.58 5.04 1ndhA1 CYS 269 HB2 -0.01 -0.00 0.12 -0.04 2.97 3.03 1ndhA1 CYS 269 HB3 -0.03 -0.12 0.00 -0.04 2.97 2.79 1ndhA1 PHE 270 H 0.03 1.08 0.42 -0.55 8.34 9.31 1ndhA1 PHE 270 HA -0.11 0.12 0.89 -0.75 4.62 4.77 1ndhA1 PHE 270 HB2 -0.14 0.09 -0.13 -0.04 3.15 2.92 1ndhA1 PHE 270 HB3 -0.25 0.01 0.03 -0.04 3.06 2.81 1ndhA1 PHE 270 HD2 -0.37 -0.05 -0.24 -0.04 7.28 6.58 1ndhA1 PHE 270 HE2 -0.37 -0.02 -0.12 -0.04 7.38 6.84 1ndhA1 PHE 270 HZ -0.01 -0.17 0.04 -0.04 7.32 7.14 1ndhA1 ALA 271 H -0.66 0.31 0.17 -0.55 8.40 7.67 1ndhA1 ALA 271 HA -0.10 -0.04 0.86 -0.75 4.34 4.31 1ndhA1 ALA 271 HB3 -0.16 0.03 0.07 -0.04 1.41 1.31 1ndhA1 PHE 272 H 0.16 0.13 0.11 -0.55 8.34 8.19 1ndhA1 PHE 272 HA 0.14 0.17 0.45 -0.75 4.62 4.63 1ndhA1 PHE 272 HB2 0.05 -0.01 0.14 -0.04 3.15 3.29 1ndhA1 PHE 272 HB3 0.06 0.03 0.09 -0.04 3.06 3.20 1ndhA1 PHE 272 HD2 0.20 0.01 0.04 -0.04 7.28 7.48 1ndhA1 PHE 272 HE2 0.08 0.11 -0.04 -0.04 7.38 7.49 1ndhA1 PHE 272 HZ 0.06 0.02 -0.09 -0.04 7.32 7.27