============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 3 0.840 -7.917 -3.099 -7.388 -99.200 -91.000 PHE 12 1.000 -8.094 8.494 -4.920 -99.200 -91.000 HIS 23 0.900 4.606 19.399 -4.593 -99.200 -91.000 PHE 34 1.000 7.546 14.896 3.135 -99.200 -91.000 TYR 51 0.840 -4.260 -12.078 15.649 -99.200 -91.000 TYR 55 0.840 8.902 -11.775 20.457 -99.200 -91.000 TYR 60 0.840 3.062 -18.160 21.964 -99.200 -91.000 TYR 61 0.840 -2.170 -16.856 16.319 -99.200 -91.000 TYR 66 0.840 6.806 -18.751 3.096 -99.200 -91.000 PHE 82 1.000 19.827 2.227 15.118 -99.200 -91.000 HIS 86 0.900 16.336 -9.348 21.637 -99.200 -91.000 HIS 92 0.900 0.967 -2.898 18.147 -99.200 -91.000 TYR 102 0.840 8.882 4.222 31.038 -99.200 -91.000 PHE 103 1.000 4.115 -5.420 31.978 -99.200 -91.000 HIS 108 0.900 0.977 1.694 40.892 -99.200 -91.000 HIS 119 0.900 14.104 22.778 32.069 -99.200 -91.000 HIS 122 0.900 6.920 11.758 23.980 -99.200 -91.000 HIS 125 0.900 11.078 10.723 27.573 -99.200 -91.000 PHE 131 1.000 2.944 4.634 29.577 -99.200 -91.000 TYR 136 0.840 5.918 2.889 35.802 -99.200 -91.000 PHE 138 1.000 8.791 8.916 34.616 -99.200 -91.000 TYR 141 0.840 17.583 14.467 33.072 -99.200 -91.000 HIS 148 0.900 18.445 28.262 26.814 -99.200 -91.000 TYR 152 0.840 25.105 15.875 30.795 -99.200 -91.000 HIS 162 0.900 14.049 13.256 44.114 -99.200 -91.000 TYR 174 0.840 19.728 18.760 25.074 -99.200 -91.000 PHE 180 1.000 22.970 9.135 24.280 -99.200 -91.000 PHE 183 1.000 21.512 11.665 30.845 -99.200 -91.000 TYR 193 0.840 17.782 -2.320 35.628 -99.200 -91.000 HIS 200 0.900 12.035 14.408 17.884 -99.200 -91.000 HIS 210 0.900 23.232 12.075 19.583 -99.200 -91.000 TYR 216 0.840 28.518 5.514 26.043 -99.200 -91.000 HIS 218 0.900 21.824 -0.800 32.427 -99.200 -91.000 PHE 219 1.000 16.217 -2.206 29.860 -99.200 -91.000 HIS 225 0.900 6.931 7.333 14.179 -99.200 -91.000 PHE 242 1.000 18.932 -5.656 31.186 -99.200 -91.000 PHE 251 1.000 1.822 -12.542 22.713 -99.200 -91.000 HIS 261 0.900 0.119 -4.324 8.551 -99.200 -91.000 PHE 270 1.000 14.635 -1.002 11.191 -99.200 -91.000 PHE 278 1.000 19.132 7.280 6.861 -99.200 -91.000 TYR 281 0.840 17.536 12.196 4.996 -99.200 -91.000 PHE 301 1.000 13.132 35.061 13.842 -99.200 -91.000 HIS 311 0.900 16.167 15.958 14.980 -99.200 -91.000 TYR 345 0.840 15.180 26.941 33.644 -99.200 -91.000 PHE 351 1.000 -2.684 22.706 27.288 -99.200 -91.000 PHE 368 1.000 12.563 22.753 0.167 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1kl1A1 MET 1 HA 0.01 -0.08 0.21 -0.75 4.52 3.90 1kl1A1 MET 1 HB2 0.11 0.05 -0.04 -0.04 2.15 2.23 1kl1A1 MET 1 HB3 0.00 -0.22 -0.02 -0.04 2.03 1.76 1kl1A1 MET 1 HG2 0.08 -0.01 0.04 -0.04 2.63 2.70 1kl1A1 MET 1 HG3 0.13 0.06 0.02 -0.04 2.56 2.74 1kl1A1 MET 1 HE3 0.08 0.02 -0.02 -0.04 2.10 2.14 1kl1A1 LYS 2 H -0.09 -0.11 0.14 -0.55 8.42 7.81 1kl1A1 LYS 2 HA -0.27 0.31 1.01 -0.75 4.32 4.62 1kl1A1 LYS 2 HB2 -0.23 0.09 -0.15 -0.04 1.87 1.53 1kl1A1 LYS 2 HB3 -0.55 -0.07 0.09 -0.04 1.79 1.21 1kl1A1 LYS 2 HG2 -0.91 -0.03 -0.18 -0.04 1.46 0.30 1kl1A1 LYS 2 HG3 -0.35 0.05 0.06 -0.04 1.46 1.19 1kl1A1 LYS 2 HD2 -0.20 0.04 -0.02 -0.04 1.69 1.47 1kl1A1 LYS 2 HD3 -0.35 -0.03 -0.03 -0.04 1.68 1.24 1kl1A1 LYS 2 HE2 -0.11 -0.00 -0.02 -0.04 2.99 2.81 1kl1A1 LYS 2 HE3 -0.29 -0.02 -0.03 -0.04 2.99 2.60 1kl1A1 TYR 3 H -0.04 0.03 0.19 -0.55 8.29 7.92 1kl1A1 TYR 3 HA -0.07 0.20 0.62 -0.75 4.56 4.56 1kl1A1 TYR 3 HB2 -0.04 0.01 0.12 -0.04 3.06 3.11 1kl1A1 TYR 3 HB3 -0.04 0.05 0.08 -0.04 2.98 3.03 1kl1A1 TYR 3 HD2 -0.03 0.00 0.05 -0.04 7.15 7.12 1kl1A1 TYR 3 HE2 -0.03 0.03 -0.01 -0.04 6.85 6.81 1kl1A1 LEU 4 H 0.00 0.01 -0.01 -0.55 8.37 7.83 1kl1A1 LEU 4 HA 0.02 0.05 0.37 -0.75 4.35 4.04 1kl1A1 LEU 4 HB2 0.06 -0.01 0.08 -0.04 1.64 1.73 1kl1A1 LEU 4 HB3 0.04 0.07 0.04 -0.04 1.64 1.75 1kl1A1 LEU 4 HG 0.18 0.02 -0.19 -0.04 1.64 1.61 1kl1A1 LEU 4 HD13 0.06 -0.02 0.00 -0.04 0.93 0.94 1kl1A1 LEU 4 HD23 0.16 0.02 -0.07 -0.04 0.89 0.96 1kl1A1 PRO 5 HA -0.51 0.03 0.21 -0.51 4.44 3.67 1kl1A1 PRO 5 HB2 -0.42 0.08 -0.09 -0.04 2.28 1.81 1kl1A1 PRO 5 HB3 -0.94 0.04 -0.02 -0.04 2.02 1.06 1kl1A1 PRO 5 HG2 -0.54 0.23 -0.20 -0.04 2.03 1.47 1kl1A1 PRO 5 HG3 -1.86 0.06 -0.11 -0.04 2.03 0.08 1kl1A1 PRO 5 HD2 -0.29 0.07 -0.75 -0.04 3.68 2.66 1kl1A1 PRO 5 HD3 -0.33 0.00 -0.12 -0.04 3.65 3.16 1kl1A1 GLN 6 H -0.16 0.19 -0.38 -0.55 8.47 7.57 1kl1A1 GLN 6 HA -0.07 0.12 0.59 -0.75 4.36 4.25 1kl1A1 GLN 6 HB2 -0.09 0.00 0.05 -0.04 2.15 2.08 1kl1A1 GLN 6 HB3 -0.05 0.03 0.09 -0.04 2.02 2.05 1kl1A1 GLN 6 HG2 -0.03 -0.03 -0.01 -0.04 2.40 2.29 1kl1A1 GLN 6 HG3 -0.01 0.00 -0.19 -0.04 2.39 2.15 1kl1A1 GLN 6 HE21 -0.02 -0.02 0.05 -0.04 6.97 6.95 1kl1A1 GLN 6 HE22 -0.01 -0.01 0.02 -0.04 7.69 7.65 1kl1A1 GLN 7 H -0.02 0.48 -0.00 -0.55 8.47 8.38 1kl1A1 GLN 7 HA 0.00 0.04 0.55 -0.75 4.36 4.20 1kl1A1 GLN 7 HB2 0.02 -0.06 0.07 -0.04 2.15 2.15 1kl1A1 GLN 7 HB3 0.02 0.19 0.15 -0.04 2.02 2.34 1kl1A1 GLN 7 HG2 0.02 -0.08 -0.10 -0.04 2.40 2.20 1kl1A1 GLN 7 HG3 0.02 0.06 -0.85 -0.04 2.39 1.58 1kl1A1 GLN 7 HE21 0.00 -0.03 0.03 -0.04 6.97 6.93 1kl1A1 GLN 7 HE22 0.01 0.07 0.13 -0.04 7.69 7.86 1kl1A1 ASP 8 H 0.00 0.71 -0.12 -0.55 8.40 8.44 1kl1A1 ASP 8 HA 0.02 0.19 0.78 -0.75 4.63 4.87 1kl1A1 ASP 8 HB2 0.03 0.04 -0.16 -0.04 2.71 2.57 1kl1A1 ASP 8 HB3 0.06 -0.08 0.19 -0.04 2.70 2.83 1kl1A1 PRO 9 HA 0.11 0.12 0.43 -0.51 4.44 4.59 1kl1A1 PRO 9 HB2 0.04 -0.04 0.04 -0.04 2.28 2.28 1kl1A1 PRO 9 HB3 0.05 0.05 0.09 -0.04 2.02 2.17 1kl1A1 PRO 9 HG2 0.02 0.01 0.06 -0.04 2.03 2.07 1kl1A1 PRO 9 HG3 0.01 0.20 0.08 -0.04 2.03 2.27 1kl1A1 PRO 9 HD2 0.02 0.05 0.08 -0.04 3.68 3.79 1kl1A1 PRO 9 HD3 0.01 0.30 -0.42 -0.04 3.65 3.49 1kl1A1 GLN 10 H 0.04 0.16 -0.16 -0.55 8.47 7.96 1kl1A1 GLN 10 HA 0.03 0.10 0.42 -0.75 4.36 4.16 1kl1A1 GLN 10 HB2 0.03 -0.04 0.08 -0.04 2.15 2.17 1kl1A1 GLN 10 HB3 0.02 0.04 -0.02 -0.04 2.02 2.01 1kl1A1 GLN 10 HG2 0.02 0.03 0.02 -0.04 2.40 2.43 1kl1A1 GLN 10 HG3 0.02 -0.00 0.05 -0.04 2.39 2.42 1kl1A1 GLN 10 HE21 0.01 0.01 0.00 -0.04 6.97 6.95 1kl1A1 GLN 10 HE22 0.01 0.01 0.00 -0.04 7.69 7.67 1kl1A1 VAL 11 H 0.05 0.12 -0.14 -0.55 8.24 7.72 1kl1A1 VAL 11 HA 0.03 0.06 0.49 -0.75 4.13 3.95 1kl1A1 VAL 11 HB 0.06 0.07 0.10 -0.04 2.12 2.31 1kl1A1 VAL 11 HG13 0.05 0.00 -0.11 -0.04 0.97 0.86 1kl1A1 VAL 11 HG23 0.02 -0.00 0.02 -0.04 0.95 0.95 1kl1A1 PHE 12 H 0.19 0.68 -0.13 -0.55 8.34 8.53 1kl1A1 PHE 12 HA -0.00 -0.01 0.35 -0.75 4.62 4.20 1kl1A1 PHE 12 HB2 -0.00 -0.00 -0.23 -0.04 3.15 2.88 1kl1A1 PHE 12 HB3 -0.00 0.12 0.03 -0.04 3.06 3.17 1kl1A1 PHE 12 HD2 -0.01 0.00 -0.10 -0.04 7.28 7.14 1kl1A1 PHE 12 HE2 -0.01 0.03 -0.05 -0.04 7.38 7.31 1kl1A1 PHE 12 HZ -0.02 0.07 -0.03 -0.04 7.32 7.30 1kl1A1 ALA 13 H 0.09 0.63 -0.14 -0.55 8.40 8.43 1kl1A1 ALA 13 HA -0.16 0.02 0.42 -0.75 4.34 3.86 1kl1A1 ALA 13 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 1kl1A1 ALA 14 H -0.03 0.46 -0.17 -0.55 8.40 8.11 1kl1A1 ALA 14 HA -0.04 0.03 0.45 -0.75 4.34 4.02 1kl1A1 ALA 14 HB3 -0.02 0.02 0.11 -0.04 1.41 1.47 1kl1A1 ILE 15 H -0.08 0.57 -0.08 -0.55 8.25 8.11 1kl1A1 ILE 15 HA -0.06 0.01 0.49 -0.75 4.18 3.87 1kl1A1 ILE 15 HB -0.12 0.09 0.14 -0.04 1.89 1.96 1kl1A1 ILE 15 HG12 -0.01 -0.04 0.03 -0.04 1.49 1.43 1kl1A1 ILE 15 HG13 -0.01 0.11 0.07 -0.04 1.21 1.34 1kl1A1 ILE 15 HG23 -0.05 -0.01 -0.12 -0.04 0.93 0.71 1kl1A1 ILE 15 HD13 0.04 -0.02 -0.05 -0.04 0.88 0.81 1kl1A1 GLU 16 H -0.36 0.62 -0.12 -0.55 8.60 8.19 1kl1A1 GLU 16 HA -0.22 0.00 0.50 -0.75 4.29 3.82 1kl1A1 GLU 16 HB2 -0.40 0.12 0.17 -0.04 2.09 1.93 1kl1A1 GLU 16 HB3 -0.24 -0.03 0.02 -0.04 1.99 1.70 1kl1A1 GLU 16 HG2 -1.27 0.04 0.05 -0.04 2.34 1.12 1kl1A1 GLU 16 HG3 -1.13 -0.03 -0.01 -0.04 2.34 1.13 1kl1A1 GLN 17 H -0.12 0.55 -0.14 -0.55 8.47 8.22 1kl1A1 GLN 17 HA -0.05 0.03 0.48 -0.75 4.36 4.07 1kl1A1 GLN 17 HB2 -0.05 0.14 0.22 -0.04 2.15 2.42 1kl1A1 GLN 17 HB3 -0.03 -0.04 -0.00 -0.04 2.02 1.91 1kl1A1 GLN 17 HG2 -0.03 -0.04 0.04 -0.04 2.40 2.33 1kl1A1 GLN 17 HG3 -0.06 0.13 0.08 -0.04 2.39 2.50 1kl1A1 GLN 17 HE21 -0.01 -0.03 -0.02 -0.04 6.97 6.86 1kl1A1 GLN 17 HE22 -0.01 0.00 -0.01 -0.04 7.69 7.63 1kl1A1 GLU 18 H -0.05 0.52 -0.15 -0.55 8.60 8.38 1kl1A1 GLU 18 HA -0.01 -0.00 0.45 -0.75 4.29 3.98 1kl1A1 GLU 18 HB2 -0.02 -0.01 0.13 -0.04 2.09 2.15 1kl1A1 GLU 18 HB3 -0.03 0.14 0.22 -0.04 1.99 2.28 1kl1A1 GLU 18 HG2 0.00 -0.05 -0.00 -0.04 2.34 2.25 1kl1A1 GLU 18 HG3 0.01 0.02 -0.21 -0.04 2.34 2.11 1kl1A1 ARG 19 H -0.06 0.59 -0.05 -0.55 8.46 8.39 1kl1A1 ARG 19 HA -0.01 0.01 0.47 -0.75 4.34 4.05 1kl1A1 ARG 19 HB2 -0.05 0.00 0.12 -0.04 1.90 1.93 1kl1A1 ARG 19 HB3 -0.07 0.09 0.16 -0.04 1.80 1.93 1kl1A1 ARG 19 HG2 -0.05 0.03 -0.15 -0.04 1.67 1.46 1kl1A1 ARG 19 HG3 -0.04 -0.03 0.04 -0.04 1.67 1.60 1kl1A1 ARG 19 HD2 -0.04 -0.01 -0.01 -0.04 3.22 3.11 1kl1A1 ARG 19 HD3 -0.03 -0.04 -0.01 -0.04 3.22 3.10 1kl1A1 LYS 20 H -0.04 0.57 -0.13 -0.55 8.42 8.26 1kl1A1 LYS 20 HA 0.00 0.04 0.49 -0.75 4.32 4.10 1kl1A1 LYS 20 HB2 -0.02 0.08 0.18 -0.04 1.87 2.07 1kl1A1 LYS 20 HB3 0.00 -0.03 0.07 -0.04 1.79 1.79 1kl1A1 LYS 20 HG2 -0.05 -0.03 0.04 -0.04 1.46 1.38 1kl1A1 LYS 20 HG3 -0.06 0.03 0.10 -0.04 1.46 1.49 1kl1A1 LYS 20 HD2 -0.05 0.02 -0.08 -0.04 1.69 1.54 1kl1A1 LYS 20 HD3 -0.03 -0.03 -0.00 -0.04 1.68 1.57 1kl1A1 LYS 20 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.89 1kl1A1 LYS 20 HE3 -0.07 -0.01 -0.01 -0.04 2.99 2.86 1kl1A1 ARG 21 H 0.00 0.50 -0.21 -0.55 8.46 8.21 1kl1A1 ARG 21 HA 0.02 0.01 0.39 -0.75 4.34 4.00 1kl1A1 ARG 21 HB2 0.01 0.06 0.10 -0.04 1.90 2.03 1kl1A1 ARG 21 HB3 0.02 0.08 0.18 -0.04 1.80 2.03 1kl1A1 ARG 21 HG2 0.03 -0.01 -0.13 -0.04 1.67 1.51 1kl1A1 ARG 21 HG3 0.02 -0.01 -0.00 -0.04 1.67 1.63 1kl1A1 ARG 21 HD2 0.02 -0.04 -0.05 -0.04 3.22 3.10 1kl1A1 ARG 21 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 1kl1A1 GLN 22 H 0.03 0.56 -0.11 -0.55 8.47 8.41 1kl1A1 GLN 22 HA 0.11 -0.06 0.37 -0.75 4.36 4.03 1kl1A1 GLN 22 HB2 0.01 0.15 0.17 -0.04 2.15 2.44 1kl1A1 GLN 22 HB3 0.06 -0.05 0.04 -0.04 2.02 2.03 1kl1A1 GLN 22 HG2 0.18 -0.09 0.05 -0.04 2.40 2.50 1kl1A1 GLN 22 HG3 0.07 0.17 0.10 -0.04 2.39 2.70 1kl1A1 GLN 22 HE21 0.07 -0.07 -0.02 -0.04 6.97 6.91 1kl1A1 GLN 22 HE22 0.06 -0.02 -0.02 -0.04 7.69 7.67 1kl1A1 HIS 23 H 0.08 0.26 -0.39 -0.55 8.41 7.81 1kl1A1 HIS 23 HA -0.12 0.06 0.66 -0.75 4.63 4.47 1kl1A1 HIS 23 HB2 -0.10 -0.10 0.09 -0.04 3.26 3.11 1kl1A1 HIS 23 HB3 -0.05 0.06 0.17 -0.04 3.20 3.34 1kl1A1 HIS 23 HD2 -0.01 -0.05 -0.17 -0.04 6.97 6.69 1kl1A1 HIS 23 HE1 -0.00 -0.07 0.09 -0.04 7.75 7.72 1kl1A1 ALA 24 H 0.05 0.37 0.03 -0.55 8.40 8.30 1kl1A1 ALA 24 HA -0.10 0.15 0.50 -0.75 4.34 4.14 1kl1A1 ALA 24 HB3 0.04 -0.05 0.07 -0.04 1.41 1.43 1kl1A1 LYS 25 H 0.00 0.37 -0.15 -0.55 8.42 8.09 1kl1A1 LYS 25 HA 0.01 0.21 0.85 -0.75 4.32 4.64 1kl1A1 LYS 25 HB2 0.03 -0.05 -0.12 -0.04 1.87 1.69 1kl1A1 LYS 25 HB3 0.02 -0.03 -0.08 -0.04 1.79 1.66 1kl1A1 LYS 25 HG2 0.02 0.13 0.01 -0.04 1.46 1.58 1kl1A1 LYS 25 HG3 0.02 -0.13 -0.08 -0.04 1.46 1.22 1kl1A1 LYS 25 HD2 0.02 -0.06 -0.07 -0.04 1.69 1.53 1kl1A1 LYS 25 HD3 0.02 0.12 -0.13 -0.04 1.68 1.64 1kl1A1 LYS 25 HE2 0.02 -0.02 -0.07 -0.04 2.99 2.88 1kl1A1 LYS 25 HE3 0.02 -0.08 -0.06 -0.04 2.99 2.83 1kl1A1 ILE 26 H 0.03 0.71 0.30 -0.55 8.25 8.74 1kl1A1 ILE 26 HA 0.01 0.18 0.78 -0.75 4.18 4.40 1kl1A1 ILE 26 HB 0.06 -0.03 0.17 -0.04 1.89 2.05 1kl1A1 ILE 26 HG12 0.20 0.05 -0.07 -0.04 1.49 1.63 1kl1A1 ILE 26 HG13 0.09 0.12 -0.14 -0.04 1.21 1.23 1kl1A1 ILE 26 HG23 0.08 -0.04 -0.14 -0.04 0.93 0.79 1kl1A1 ILE 26 HD13 0.15 -0.02 -0.02 -0.04 0.88 0.95 1kl1A1 GLU 27 H 0.02 0.31 0.05 -0.55 8.60 8.43 1kl1A1 GLU 27 HA 0.01 0.03 0.74 -0.75 4.29 4.31 1kl1A1 GLU 27 HB2 0.07 0.13 0.01 -0.04 2.09 2.27 1kl1A1 GLU 27 HB3 0.02 0.02 0.13 -0.04 1.99 2.12 1kl1A1 GLU 27 HG2 -0.13 0.03 -0.06 -0.04 2.34 2.13 1kl1A1 GLU 27 HG3 -0.08 -0.07 -0.28 -0.04 2.34 1.87 1kl1A1 LEU 28 H -0.00 0.58 0.34 -0.55 8.37 8.74 1kl1A1 LEU 28 HA -0.01 0.29 0.97 -0.75 4.35 4.85 1kl1A1 LEU 28 HB2 -0.01 0.19 0.14 -0.04 1.64 1.92 1kl1A1 LEU 28 HB3 -0.01 -0.18 0.25 -0.04 1.64 1.66 1kl1A1 LEU 28 HG 0.01 0.05 -0.34 -0.04 1.64 1.33 1kl1A1 LEU 28 HD13 0.00 -0.01 -0.13 -0.04 0.93 0.75 1kl1A1 LEU 28 HD23 0.02 0.02 -0.15 -0.04 0.89 0.75 1kl1A1 ILE 29 H -0.02 0.09 -0.12 -0.55 8.25 7.65 1kl1A1 ILE 29 HA 0.01 0.06 0.56 -0.75 4.18 4.06 1kl1A1 ILE 29 HB -0.01 0.03 0.07 -0.04 1.89 1.93 1kl1A1 ILE 29 HG12 0.01 -0.01 -0.23 -0.04 1.49 1.22 1kl1A1 ILE 29 HG13 -0.00 0.07 -0.27 -0.04 1.21 0.97 1kl1A1 ILE 29 HG23 0.02 -0.04 -0.10 -0.04 0.93 0.77 1kl1A1 ILE 29 HD13 0.00 0.02 -0.09 -0.04 0.88 0.77 1kl1A1 ALA 30 H 0.04 0.19 0.11 -0.55 8.40 8.20 1kl1A1 ALA 30 HA 0.09 0.03 0.28 -0.75 4.34 3.99 1kl1A1 ALA 30 HB3 0.09 0.01 -0.09 -0.04 1.41 1.38 1kl1A1 SER 31 H 0.11 0.03 -0.31 -0.55 8.46 7.74 1kl1A1 SER 31 HA -0.13 0.12 0.72 -0.75 4.49 4.43 1kl1A1 SER 31 HB2 -0.05 -0.04 0.09 -0.04 3.95 3.90 1kl1A1 SER 31 HB3 0.03 -0.03 0.04 -0.04 3.93 3.93 1kl1A1 GLU 32 H -0.01 0.42 -0.32 -0.55 8.60 8.14 1kl1A1 GLU 32 HA -0.04 0.22 0.91 -0.75 4.29 4.63 1kl1A1 GLU 32 HB2 -0.10 0.04 0.01 -0.04 2.09 2.00 1kl1A1 GLU 32 HB3 -0.17 0.08 0.08 -0.04 1.99 1.95 1kl1A1 GLU 32 HG2 -0.03 0.04 -0.09 -0.04 2.34 2.23 1kl1A1 GLU 32 HG3 -0.01 -0.17 -0.20 -0.04 2.34 1.92 1kl1A1 ASN 33 H -0.18 0.33 0.24 -0.55 8.53 8.38 1kl1A1 ASN 33 HA -0.31 0.01 0.36 -0.75 4.76 4.07 1kl1A1 ASN 33 HB2 -0.03 0.09 -0.43 -0.04 2.88 2.47 1kl1A1 ASN 33 HB3 -0.02 0.01 -0.16 -0.04 2.79 2.57 1kl1A1 ASN 33 HD21 0.26 -0.00 -0.04 -0.04 7.03 7.20 1kl1A1 ASN 33 HD22 0.10 0.30 -0.07 -0.04 7.74 8.03 1kl1A1 PHE 34 H -0.04 0.26 0.12 -0.55 8.34 8.12 1kl1A1 PHE 34 HA -0.00 0.14 0.97 -0.75 4.62 4.97 1kl1A1 PHE 34 HB2 -0.02 0.01 0.09 -0.04 3.15 3.19 1kl1A1 PHE 34 HB3 -0.01 0.06 0.02 -0.04 3.06 3.09 1kl1A1 PHE 34 HD2 -0.02 0.00 0.02 -0.04 7.28 7.25 1kl1A1 PHE 34 HE2 -0.06 0.01 -0.06 -0.04 7.38 7.23 1kl1A1 PHE 34 HZ -0.05 0.10 0.00 -0.04 7.32 7.33 1kl1A1 VAL 35 H 0.11 0.09 0.06 -0.55 8.24 7.95 1kl1A1 VAL 35 HA 0.04 0.25 0.56 -0.75 4.13 4.23 1kl1A1 VAL 35 HB 0.02 -0.10 -0.01 -0.04 2.12 1.99 1kl1A1 VAL 35 HG13 0.03 0.02 -0.35 -0.04 0.97 0.63 1kl1A1 VAL 35 HG23 0.04 -0.01 -0.10 -0.04 0.95 0.84 1kl1A1 SER 36 H 0.02 0.14 0.17 -0.55 8.46 8.24 1kl1A1 SER 36 HA 0.01 0.23 0.48 -0.75 4.49 4.46 1kl1A1 SER 36 HB2 0.00 -0.07 0.15 -0.04 3.95 3.99 1kl1A1 SER 36 HB3 0.00 0.19 0.14 -0.04 3.93 4.23 1kl1A1 ARG 37 H 0.00 0.22 0.18 -0.55 8.46 8.31 1kl1A1 ARG 37 HA 0.01 0.13 0.40 -0.75 4.34 4.12 1kl1A1 ARG 37 HB2 -0.00 -0.01 0.13 -0.04 1.90 1.99 1kl1A1 ARG 37 HB3 0.00 0.03 0.04 -0.04 1.80 1.83 1kl1A1 ARG 37 HG2 -0.00 0.04 0.03 -0.04 1.67 1.70 1kl1A1 ARG 37 HG3 -0.00 0.02 0.08 -0.04 1.67 1.72 1kl1A1 ARG 37 HD2 -0.00 -0.00 0.02 -0.04 3.22 3.19 1kl1A1 ARG 37 HD3 -0.01 0.07 0.02 -0.04 3.22 3.26 1kl1A1 ALA 38 H -0.00 0.11 -0.10 -0.55 8.40 7.86 1kl1A1 ALA 38 HA -0.01 0.10 0.47 -0.75 4.34 4.16 1kl1A1 ALA 38 HB3 -0.01 0.03 0.04 -0.04 1.41 1.43 1kl1A1 VAL 39 H -0.01 0.11 -0.31 -0.55 8.24 7.48 1kl1A1 VAL 39 HA -0.03 0.06 0.47 -0.75 4.13 3.87 1kl1A1 VAL 39 HB -0.01 0.11 0.07 -0.04 2.12 2.25 1kl1A1 VAL 39 HG13 -0.03 0.01 -0.18 -0.04 0.97 0.73 1kl1A1 VAL 39 HG23 -0.03 0.04 0.04 -0.04 0.95 0.96 1kl1A1 MET 40 H 0.00 0.47 -0.18 -0.55 8.47 8.21 1kl1A1 MET 40 HA 0.00 0.01 0.43 -0.75 4.52 4.20 1kl1A1 MET 40 HB2 0.01 0.09 0.12 -0.04 2.15 2.32 1kl1A1 MET 40 HB3 0.01 -0.01 -0.02 -0.04 2.03 1.97 1kl1A1 MET 40 HG2 0.01 -0.05 -0.02 -0.04 2.63 2.53 1kl1A1 MET 40 HG3 0.01 0.06 -0.07 -0.04 2.56 2.52 1kl1A1 MET 40 HE3 0.01 0.03 -0.17 -0.04 2.10 1.93 1kl1A1 GLU 41 H 0.00 0.52 -0.20 -0.55 8.60 8.37 1kl1A1 GLU 41 HA 0.01 0.02 0.34 -0.75 4.29 3.90 1kl1A1 GLU 41 HB2 -0.00 0.08 0.19 -0.04 2.09 2.32 1kl1A1 GLU 41 HB3 -0.00 -0.05 -0.01 -0.04 1.99 1.88 1kl1A1 GLU 41 HG2 0.01 -0.03 0.02 -0.04 2.34 2.29 1kl1A1 GLU 41 HG3 0.01 0.10 0.05 -0.04 2.34 2.46 1kl1A1 ALA 42 H -0.01 0.47 -0.25 -0.55 8.40 8.07 1kl1A1 ALA 42 HA -0.00 -0.03 0.38 -0.75 4.34 3.93 1kl1A1 ALA 42 HB3 -0.03 0.00 0.01 -0.04 1.41 1.35 1kl1A1 GLN 43 H 0.00 0.45 -0.15 -0.55 8.47 8.23 1kl1A1 GLN 43 HA 0.07 0.02 0.23 -0.75 4.36 3.93 1kl1A1 GLN 43 HB2 0.03 0.08 -0.07 -0.04 2.15 2.15 1kl1A1 GLN 43 HB3 0.05 -0.10 0.05 -0.04 2.02 1.97 1kl1A1 GLN 43 HG2 -0.04 -0.04 0.04 -0.04 2.40 2.33 1kl1A1 GLN 43 HG3 -0.01 0.13 0.05 -0.04 2.39 2.52 1kl1A1 GLN 43 HE21 -0.03 -0.09 0.03 -0.04 6.97 6.84 1kl1A1 GLN 43 HE22 -0.01 0.05 -0.03 -0.04 7.69 7.66 1kl1A1 GLY 44 H 0.02 0.45 -0.32 -0.55 8.43 8.03 1kl1A1 GLY 44 HA2 0.01 0.07 0.70 -0.51 4.01 4.29 1kl1A1 GLY 44 HA3 0.01 -0.02 0.35 -0.51 4.01 3.85 1kl1A1 SER 45 H 0.02 0.26 -0.49 -0.55 8.46 7.70 1kl1A1 SER 45 HA -0.02 0.17 0.68 -0.75 4.49 4.57 1kl1A1 SER 45 HB2 -0.01 -0.15 0.16 -0.04 3.95 3.91 1kl1A1 SER 45 HB3 0.00 0.21 0.13 -0.04 3.93 4.23 1kl1A1 VAL 46 H -0.03 0.18 0.16 -0.55 8.24 8.00 1kl1A1 VAL 46 HA -0.08 0.15 0.41 -0.75 4.13 3.86 1kl1A1 VAL 46 HB -0.04 0.01 0.15 -0.04 2.12 2.20 1kl1A1 VAL 46 HG13 -0.05 0.02 0.06 -0.04 0.97 0.97 1kl1A1 VAL 46 HG23 -0.03 0.00 -0.02 -0.04 0.95 0.87 1kl1A1 LEU 47 H -0.02 0.12 -0.45 -0.55 8.37 7.47 1kl1A1 LEU 47 HA -0.02 0.08 0.33 -0.75 4.35 3.99 1kl1A1 LEU 47 HB2 0.05 0.09 -0.03 -0.04 1.64 1.71 1kl1A1 LEU 47 HB3 0.05 -0.12 -0.25 -0.04 1.64 1.28 1kl1A1 LEU 47 HG 0.02 -0.02 -0.04 -0.04 1.64 1.55 1kl1A1 LEU 47 HD13 0.00 -0.00 -0.08 -0.04 0.93 0.81 1kl1A1 LEU 47 HD23 0.02 0.04 -0.07 -0.04 0.89 0.84 1kl1A1 THR 48 H -0.22 0.40 -0.33 -0.55 8.28 7.58 1kl1A1 THR 48 HA -0.32 -0.04 0.49 -0.75 4.39 3.76 1kl1A1 THR 48 HB -1.10 0.04 0.11 -0.04 4.32 3.33 1kl1A1 THR 48 HG23 -0.22 0.04 -0.04 -0.04 1.22 0.95 1kl1A1 ASN 49 H -0.12 0.41 -0.29 -0.55 8.53 7.99 1kl1A1 ASN 49 HA -0.10 0.07 0.32 -0.75 4.76 4.29 1kl1A1 ASN 49 HB2 -0.06 0.10 0.08 -0.04 2.88 2.96 1kl1A1 ASN 49 HB3 -0.05 -0.05 0.11 -0.04 2.79 2.77 1kl1A1 ASN 49 HD21 -0.08 -0.01 -0.02 -0.04 7.03 6.88 1kl1A1 ASN 49 HD22 -0.09 0.03 -0.08 -0.04 7.74 7.56 1kl1A1 LYS 50 H -0.09 0.33 -0.42 -0.55 8.42 7.69 1kl1A1 LYS 50 HA -0.07 0.13 0.84 -0.75 4.32 4.46 1kl1A1 LYS 50 HB2 -0.03 -0.06 -0.02 -0.04 1.87 1.72 1kl1A1 LYS 50 HB3 -0.05 0.00 0.08 -0.04 1.79 1.78 1kl1A1 LYS 50 HG2 -0.02 -0.15 -0.10 -0.04 1.46 1.15 1kl1A1 LYS 50 HG3 -0.06 0.19 -0.37 -0.04 1.46 1.18 1kl1A1 LYS 50 HD2 -0.02 0.03 0.00 -0.04 1.69 1.66 1kl1A1 LYS 50 HD3 0.00 -0.08 -0.03 -0.04 1.68 1.53 1kl1A1 LYS 50 HE2 0.01 -0.04 0.00 -0.04 2.99 2.92 1kl1A1 LYS 50 HE3 0.00 -0.07 -0.21 -0.04 2.99 2.67 1kl1A1 TYR 51 H -0.10 0.17 0.19 -0.55 8.29 8.00 1kl1A1 TYR 51 HA -0.26 0.12 0.69 -0.75 4.56 4.35 1kl1A1 TYR 51 HB2 -0.54 0.03 0.18 -0.04 3.06 2.69 1kl1A1 TYR 51 HB3 -1.69 -0.03 0.01 -0.04 2.98 1.23 1kl1A1 TYR 51 HD2 -0.22 -0.05 0.04 -0.04 7.15 6.89 1kl1A1 TYR 51 HE2 -0.02 -0.06 0.06 -0.04 6.85 6.79 1kl1A1 ALA 52 H -0.11 0.16 0.06 -0.55 8.40 7.96 1kl1A1 ALA 52 HA 0.05 0.15 0.69 -0.75 4.34 4.47 1kl1A1 ALA 52 HB3 -0.06 0.00 -0.09 -0.04 1.41 1.22 1kl1A1 GLU 53 H 0.25 0.05 -0.03 -0.55 8.60 8.33 1kl1A1 GLU 53 HA -0.46 0.17 0.51 -0.75 4.29 3.76 1kl1A1 GLU 53 HB2 0.16 -0.06 0.00 -0.04 2.09 2.15 1kl1A1 GLU 53 HB3 -1.21 0.08 -0.01 -0.04 1.99 0.81 1kl1A1 GLU 53 HG2 -0.25 0.07 -0.30 -0.04 2.34 1.82 1kl1A1 GLU 53 HG3 0.27 -0.14 0.00 -0.04 2.34 2.43 1kl1A1 GLY 54 H -0.67 0.15 0.17 -0.55 8.43 7.54 1kl1A1 GLY 54 HA2 0.22 0.07 0.28 -0.51 4.01 4.07 1kl1A1 GLY 54 HA3 0.00 0.17 0.87 -0.51 4.01 4.54 1kl1A1 TYR 55 H 0.09 0.44 0.04 -0.55 8.29 8.31 1kl1A1 TYR 55 HA 0.03 0.16 0.69 -0.75 4.56 4.69 1kl1A1 TYR 55 HB2 0.06 0.02 -0.02 -0.04 3.06 3.08 1kl1A1 TYR 55 HB3 0.06 0.03 0.06 -0.04 2.98 3.09 1kl1A1 TYR 55 HD2 0.11 -0.02 -0.03 -0.04 7.15 7.17 1kl1A1 TYR 55 HE2 0.16 0.04 -0.00 -0.04 6.85 7.01 1kl1A1 PRO 56 HA 0.03 -0.08 0.37 -0.51 4.44 4.25 1kl1A1 PRO 56 HB2 0.07 0.06 0.08 -0.04 2.28 2.45 1kl1A1 PRO 56 HB3 0.04 0.03 0.11 -0.04 2.02 2.16 1kl1A1 PRO 56 HG2 0.09 0.04 0.02 -0.04 2.03 2.13 1kl1A1 PRO 56 HG3 0.06 0.02 0.09 -0.04 2.03 2.16 1kl1A1 PRO 56 HD2 0.23 0.14 0.15 -0.04 3.68 4.16 1kl1A1 PRO 56 HD3 0.17 0.16 0.17 -0.04 3.65 4.11 1kl1A1 GLY 57 H -0.00 0.06 0.15 -0.55 8.43 8.09 1kl1A1 GLY 57 HA2 -0.01 -0.05 0.35 -0.51 4.01 3.79 1kl1A1 GLY 57 HA3 0.01 0.12 0.33 -0.51 4.01 3.95 1kl1A1 ARG 58 H 0.00 0.63 -0.44 -0.55 8.46 8.09 1kl1A1 ARG 58 HA -0.08 0.13 0.71 -0.75 4.34 4.34 1kl1A1 ARG 58 HB2 0.08 -0.06 0.01 -0.04 1.90 1.89 1kl1A1 ARG 58 HB3 -0.01 -0.02 0.15 -0.04 1.80 1.88 1kl1A1 ARG 58 HG2 0.02 0.03 -0.47 -0.04 1.67 1.21 1kl1A1 ARG 58 HG3 0.05 -0.04 -0.09 -0.04 1.67 1.55 1kl1A1 ARG 58 HD2 0.01 -0.04 0.02 -0.04 3.22 3.16 1kl1A1 ARG 58 HD3 -0.02 0.11 0.11 -0.04 3.22 3.38 1kl1A1 ARG 59 H -0.11 0.01 -0.02 -0.55 8.46 7.78 1kl1A1 ARG 59 HA -0.19 0.24 0.91 -0.75 4.34 4.55 1kl1A1 ARG 59 HB2 -0.04 0.00 0.03 -0.04 1.90 1.85 1kl1A1 ARG 59 HB3 0.03 0.01 0.07 -0.04 1.80 1.87 1kl1A1 ARG 59 HG2 -0.04 -0.04 -0.17 -0.04 1.67 1.39 1kl1A1 ARG 59 HG3 -0.02 -0.13 -0.08 -0.04 1.67 1.40 1kl1A1 ARG 59 HD2 -0.01 0.01 -0.27 -0.04 3.22 2.90 1kl1A1 ARG 59 HD3 -0.07 0.05 -0.64 -0.04 3.22 2.52 1kl1A1 TYR 60 H 0.08 0.51 0.08 -0.55 8.29 8.41 1kl1A1 TYR 60 HA -0.08 0.20 0.75 -0.75 4.56 4.67 1kl1A1 TYR 60 HB2 -0.17 -0.04 -0.03 -0.04 3.06 2.78 1kl1A1 TYR 60 HB3 -0.21 -0.01 0.12 -0.04 2.98 2.84 1kl1A1 TYR 60 HD2 -0.01 -0.02 -0.29 -0.04 7.15 6.80 1kl1A1 TYR 60 HE2 0.19 -0.02 -0.08 -0.04 6.85 6.90 1kl1A1 TYR 61 H 0.09 0.17 -0.23 -0.55 8.29 7.77 1kl1A1 TYR 61 HA 0.02 0.13 0.61 -0.75 4.56 4.57 1kl1A1 TYR 61 HB2 0.02 0.01 0.04 -0.04 3.06 3.09 1kl1A1 TYR 61 HB3 0.03 0.08 0.09 -0.04 2.98 3.13 1kl1A1 TYR 61 HD2 0.03 -0.05 -0.08 -0.04 7.15 7.00 1kl1A1 TYR 61 HE2 -0.08 -0.05 -0.01 -0.04 6.85 6.67 1kl1A1 GLY 62 H 0.09 0.13 0.08 -0.55 8.43 8.18 1kl1A1 GLY 62 HA2 0.01 0.07 0.55 -0.51 4.01 4.13 1kl1A1 GLY 62 HA3 0.03 0.06 0.35 -0.51 4.01 3.94 1kl1A1 GLY 63 H -0.01 0.12 0.16 -0.55 8.43 8.15 1kl1A1 GLY 63 HA2 -0.04 -0.00 0.34 -0.51 4.01 3.80 1kl1A1 GLY 63 HA3 0.01 0.17 0.38 -0.51 4.01 4.06 1kl1A1 CYS 64 H -0.03 0.15 -0.15 -0.55 8.50 7.92 1kl1A1 CYS 64 HA -0.02 0.20 0.69 -0.75 4.58 4.70 1kl1A1 CYS 64 HB2 -0.02 0.03 0.02 -0.04 2.97 2.97 1kl1A1 CYS 64 HB3 -0.02 -0.09 0.08 -0.04 2.97 2.90 1kl1A1 GLU 65 H -0.19 0.11 -0.31 -0.55 8.60 7.67 1kl1A1 GLU 65 HA -0.15 0.08 0.26 -0.75 4.29 3.72 1kl1A1 GLU 65 HB2 -0.72 0.01 0.04 -0.04 2.09 1.38 1kl1A1 GLU 65 HB3 -0.47 0.08 -0.02 -0.04 1.99 1.53 1kl1A1 GLU 65 HG2 -0.17 0.09 0.03 -0.04 2.34 2.24 1kl1A1 GLU 65 HG3 -0.14 -0.00 0.03 -0.04 2.34 2.19 1kl1A1 TYR 66 H -0.25 0.15 -0.20 -0.55 8.29 7.43 1kl1A1 TYR 66 HA 0.00 0.16 0.75 -0.75 4.56 4.72 1kl1A1 TYR 66 HB2 -0.01 0.04 0.06 -0.04 3.06 3.11 1kl1A1 TYR 66 HB3 -0.00 0.04 0.06 -0.04 2.98 3.04 1kl1A1 TYR 66 HD2 -0.00 0.04 -0.03 -0.04 7.15 7.12 1kl1A1 TYR 66 HE2 -0.00 0.04 -0.03 -0.04 6.85 6.82 1kl1A1 VAL 67 H 0.04 0.14 -0.09 -0.55 8.24 7.78 1kl1A1 VAL 67 HA 0.04 0.08 0.40 -0.75 4.13 3.90 1kl1A1 VAL 67 HB 0.00 0.01 0.08 -0.04 2.12 2.17 1kl1A1 VAL 67 HG13 0.02 0.01 0.00 -0.04 0.97 0.96 1kl1A1 VAL 67 HG23 -0.01 0.01 -0.08 -0.04 0.95 0.83 1kl1A1 ASP 68 H -0.01 0.53 -0.32 -0.55 8.40 8.05 1kl1A1 ASP 68 HA 0.01 0.04 0.40 -0.75 4.63 4.33 1kl1A1 ASP 68 HB2 -0.02 0.18 0.07 -0.04 2.71 2.89 1kl1A1 ASP 68 HB3 0.01 -0.02 -0.02 -0.04 2.70 2.63 1kl1A1 ILE 69 H 0.04 0.26 -0.27 -0.55 8.25 7.74 1kl1A1 ILE 69 HA 0.04 0.05 0.43 -0.75 4.18 3.94 1kl1A1 ILE 69 HB 0.09 0.15 0.17 -0.04 1.89 2.26 1kl1A1 ILE 69 HG12 0.06 -0.01 0.06 -0.04 1.49 1.55 1kl1A1 ILE 69 HG13 0.05 0.09 0.15 -0.04 1.21 1.47 1kl1A1 ILE 69 HG23 0.05 -0.01 -0.10 -0.04 0.93 0.83 1kl1A1 ILE 69 HD13 0.18 -0.03 0.06 -0.04 0.88 1.05 1kl1A1 VAL 70 H 0.04 0.40 -0.14 -0.55 8.24 8.00 1kl1A1 VAL 70 HA 0.02 0.04 0.47 -0.75 4.13 3.90 1kl1A1 VAL 70 HB 0.02 0.11 0.15 -0.04 2.12 2.36 1kl1A1 VAL 70 HG13 -0.01 0.00 -0.14 -0.04 0.97 0.78 1kl1A1 VAL 70 HG23 0.03 0.03 0.04 -0.04 0.95 1.00 1kl1A1 GLU 71 H 0.02 0.58 -0.13 -0.55 8.60 8.52 1kl1A1 GLU 71 HA 0.02 0.03 0.45 -0.75 4.29 4.03 1kl1A1 GLU 71 HB2 0.02 0.02 0.08 -0.04 2.09 2.17 1kl1A1 GLU 71 HB3 0.04 0.06 0.13 -0.04 1.99 2.18 1kl1A1 GLU 71 HG2 0.09 0.01 -0.10 -0.04 2.34 2.30 1kl1A1 GLU 71 HG3 0.06 -0.08 0.07 -0.04 2.34 2.35 1kl1A1 GLU 72 H 0.04 0.51 -0.20 -0.55 8.60 8.40 1kl1A1 GLU 72 HA 0.05 0.01 0.44 -0.75 4.29 4.03 1kl1A1 GLU 72 HB2 0.04 0.10 0.17 -0.04 2.09 2.36 1kl1A1 GLU 72 HB3 0.04 -0.03 -0.02 -0.04 1.99 1.94 1kl1A1 GLU 72 HG2 0.05 -0.00 0.07 -0.04 2.34 2.41 1kl1A1 GLU 72 HG3 0.03 -0.03 -0.01 -0.04 2.34 2.29 1kl1A1 LEU 73 H 0.03 0.59 -0.10 -0.55 8.37 8.35 1kl1A1 LEU 73 HA 0.04 0.02 0.52 -0.75 4.35 4.18 1kl1A1 LEU 73 HB2 0.02 0.12 0.20 -0.04 1.64 1.94 1kl1A1 LEU 73 HB3 0.03 -0.03 0.02 -0.04 1.64 1.61 1kl1A1 LEU 73 HG 0.03 0.15 0.07 -0.04 1.64 1.84 1kl1A1 LEU 73 HD13 0.02 -0.03 -0.05 -0.04 0.93 0.82 1kl1A1 LEU 73 HD23 0.02 -0.01 0.01 -0.04 0.89 0.87 1kl1A1 ALA 74 H 0.04 0.54 -0.16 -0.55 8.40 8.27 1kl1A1 ALA 74 HA 0.18 0.00 0.37 -0.75 4.34 4.13 1kl1A1 ALA 74 HB3 0.05 0.04 0.10 -0.04 1.41 1.56 1kl1A1 ARG 75 H 0.08 0.62 -0.04 -0.55 8.46 8.56 1kl1A1 ARG 75 HA 0.06 -0.03 0.33 -0.75 4.34 3.95 1kl1A1 ARG 75 HB2 0.04 0.06 0.17 -0.04 1.90 2.12 1kl1A1 ARG 75 HB3 -0.01 -0.03 0.03 -0.04 1.80 1.74 1kl1A1 ARG 75 HG2 0.02 -0.13 -0.07 -0.04 1.67 1.44 1kl1A1 ARG 75 HG3 0.06 0.21 0.08 -0.04 1.67 1.98 1kl1A1 ARG 75 HD2 -0.07 0.19 0.11 -0.04 3.22 3.42 1kl1A1 ARG 75 HD3 0.08 -0.12 0.06 -0.04 3.22 3.20 1kl1A1 GLU 76 H 0.05 0.79 -0.08 -0.55 8.60 8.81 1kl1A1 GLU 76 HA 0.02 0.02 0.46 -0.75 4.29 4.04 1kl1A1 GLU 76 HB2 0.03 0.09 0.16 -0.04 2.09 2.33 1kl1A1 GLU 76 HB3 0.02 -0.04 0.02 -0.04 1.99 1.95 1kl1A1 GLU 76 HG2 0.03 0.07 0.08 -0.04 2.34 2.48 1kl1A1 GLU 76 HG3 0.03 -0.05 0.01 -0.04 2.34 2.28 1kl1A1 ARG 77 H 0.08 0.65 -0.11 -0.55 8.46 8.54 1kl1A1 ARG 77 HA 0.01 0.04 0.50 -0.75 4.34 4.14 1kl1A1 ARG 77 HB2 0.23 0.08 0.10 -0.04 1.90 2.27 1kl1A1 ARG 77 HB3 0.12 -0.03 -0.11 -0.04 1.80 1.75 1kl1A1 ARG 77 HG2 0.04 -0.03 -0.01 -0.04 1.67 1.63 1kl1A1 ARG 77 HG3 0.06 0.03 0.08 -0.04 1.67 1.80 1kl1A1 ARG 77 HD2 0.08 -0.02 -0.10 -0.04 3.22 3.13 1kl1A1 ARG 77 HD3 0.07 -0.01 -0.05 -0.04 3.22 3.19 1kl1A1 ALA 78 H 0.06 0.57 -0.23 -0.55 8.40 8.25 1kl1A1 ALA 78 HA -0.37 0.03 0.43 -0.75 4.34 3.68 1kl1A1 ALA 78 HB3 -0.16 0.02 0.02 -0.04 1.41 1.25 1kl1A1 LYS 79 H -0.01 0.52 -0.20 -0.55 8.42 8.18 1kl1A1 LYS 79 HA 0.02 -0.15 0.39 -0.75 4.32 3.83 1kl1A1 LYS 79 HB2 0.00 0.08 0.15 -0.04 1.87 2.06 1kl1A1 LYS 79 HB3 0.01 0.04 -0.00 -0.04 1.79 1.80 1kl1A1 LYS 79 HG2 0.01 0.21 -0.27 -0.04 1.46 1.37 1kl1A1 LYS 79 HG3 -0.01 -0.15 -0.19 -0.04 1.46 1.07 1kl1A1 LYS 79 HD2 -0.05 -0.26 -0.10 -0.04 1.69 1.24 1kl1A1 LYS 79 HD3 -0.01 0.25 -0.17 -0.04 1.68 1.71 1kl1A1 LYS 79 HE2 0.01 0.01 -0.04 -0.04 2.99 2.93 1kl1A1 LYS 79 HE3 0.03 0.17 -0.09 -0.04 2.99 3.06 1kl1A1 GLN 80 H -0.03 0.46 -0.21 -0.55 8.47 8.14 1kl1A1 GLN 80 HA -0.03 0.01 0.44 -0.75 4.36 4.02 1kl1A1 GLN 80 HB2 -0.02 0.01 0.13 -0.04 2.15 2.22 1kl1A1 GLN 80 HB3 -0.05 0.11 0.15 -0.04 2.02 2.19 1kl1A1 GLN 80 HG2 -0.05 0.06 -0.10 -0.04 2.40 2.27 1kl1A1 GLN 80 HG3 -0.03 -0.05 0.06 -0.04 2.39 2.33 1kl1A1 GLN 80 HE21 -0.01 -0.06 -0.00 -0.04 6.97 6.86 1kl1A1 GLN 80 HE22 -0.02 0.03 0.00 -0.04 7.69 7.67 1kl1A1 LEU 81 H -0.16 0.44 -0.23 -0.55 8.37 7.87 1kl1A1 LEU 81 HA -0.29 0.09 0.50 -0.75 4.35 3.89 1kl1A1 LEU 81 HB2 -0.34 0.26 0.21 -0.04 1.64 1.73 1kl1A1 LEU 81 HB3 -0.92 -0.05 0.06 -0.04 1.64 0.69 1kl1A1 LEU 81 HG -0.91 -0.07 -0.05 -0.04 1.64 0.57 1kl1A1 LEU 81 HD13 -0.27 0.02 -0.13 -0.04 0.93 0.50 1kl1A1 LEU 81 HD23 -0.33 -0.03 -0.04 -0.04 0.89 0.45 1kl1A1 PHE 82 H -0.05 0.44 -0.08 -0.55 8.34 8.10 1kl1A1 PHE 82 HA -0.04 0.23 0.85 -0.75 4.62 4.91 1kl1A1 PHE 82 HB2 -0.10 0.01 -0.02 -0.04 3.15 3.00 1kl1A1 PHE 82 HB3 -0.06 -0.13 -0.00 -0.04 3.06 2.82 1kl1A1 PHE 82 HD2 -0.14 0.06 -0.06 -0.04 7.28 7.10 1kl1A1 PHE 82 HE2 -0.22 0.01 -0.07 -0.04 7.38 7.06 1kl1A1 PHE 82 HZ -0.11 -0.05 -0.15 -0.04 7.32 6.98 1kl1A1 GLY 83 H 0.02 0.55 -0.04 -0.55 8.43 8.41 1kl1A1 GLY 83 HA2 0.01 0.13 0.32 -0.51 4.01 3.96 1kl1A1 GLY 83 HA3 0.02 0.00 0.37 -0.51 4.01 3.89 1kl1A1 ALA 84 H 0.06 0.03 -0.16 -0.55 8.40 7.78 1kl1A1 ALA 84 HA 0.01 0.13 0.53 -0.75 4.34 4.26 1kl1A1 ALA 84 HB3 0.01 -0.02 -0.03 -0.04 1.41 1.33 1kl1A1 GLU 85 H 0.03 0.13 0.14 -0.55 8.60 8.34 1kl1A1 GLU 85 HA 0.03 0.14 0.49 -0.75 4.29 4.20 1kl1A1 GLU 85 HB2 0.03 -0.03 0.33 -0.04 2.09 2.38 1kl1A1 GLU 85 HB3 0.03 -0.06 0.15 -0.04 1.99 2.07 1kl1A1 GLU 85 HG2 0.00 0.07 0.08 -0.04 2.34 2.45 1kl1A1 GLU 85 HG3 -0.00 0.10 0.06 -0.04 2.34 2.46 1kl1A1 HIS 86 H 0.10 0.25 0.06 -0.55 8.41 8.28 1kl1A1 HIS 86 HA 0.01 0.17 0.78 -0.75 4.63 4.83 1kl1A1 HIS 86 HB2 0.01 -0.03 -0.34 -0.04 3.26 2.85 1kl1A1 HIS 86 HB3 0.03 0.01 -0.16 -0.04 3.20 3.03 1kl1A1 HIS 86 HD2 0.04 -0.06 -0.33 -0.04 6.97 6.58 1kl1A1 HIS 86 HE1 -0.10 -0.01 -0.02 -0.04 7.75 7.58 1kl1A1 ALA 87 H -0.54 0.26 0.17 -0.55 8.40 7.74 1kl1A1 ALA 87 HA -0.14 0.31 1.01 -0.75 4.34 4.77 1kl1A1 ALA 87 HB3 -0.08 -0.01 -0.05 -0.04 1.41 1.23 1kl1A1 ASN 88 H -0.06 0.71 0.26 -0.55 8.53 8.90 1kl1A1 ASN 88 HA 0.01 0.13 0.82 -0.75 4.76 4.97 1kl1A1 ASN 88 HB2 0.09 0.06 -0.12 -0.04 2.88 2.87 1kl1A1 ASN 88 HB3 0.06 -0.07 0.15 -0.04 2.79 2.89 1kl1A1 ASN 88 HD21 0.41 0.07 0.01 -0.04 7.03 7.48 1kl1A1 ASN 88 HD22 0.12 0.02 -0.10 -0.04 7.74 7.75 1kl1A1 VAL 89 H 0.08 0.21 0.09 -0.55 8.24 8.08 1kl1A1 VAL 89 HA 0.08 0.21 0.83 -0.75 4.13 4.50 1kl1A1 VAL 89 HB 0.10 0.03 0.13 -0.04 2.12 2.34 1kl1A1 VAL 89 HG13 0.18 -0.01 -0.27 -0.04 0.97 0.83 1kl1A1 VAL 89 HG23 0.07 0.01 -0.01 -0.04 0.95 0.98 1kl1A1 GLN 90 H 0.09 0.00 -0.21 -0.55 8.47 7.80 1kl1A1 GLN 90 HA -0.01 0.16 0.61 -0.75 4.36 4.36 1kl1A1 GLN 90 HB2 0.08 0.02 -0.02 -0.04 2.15 2.18 1kl1A1 GLN 90 HB3 -0.07 0.00 -0.02 -0.04 2.02 1.90 1kl1A1 GLN 90 HG2 -0.03 -0.02 -0.06 -0.04 2.40 2.24 1kl1A1 GLN 90 HG3 0.08 -0.11 -0.01 -0.04 2.39 2.31 1kl1A1 GLN 90 HE21 -0.66 0.60 0.20 -0.04 6.97 7.06 1kl1A1 GLN 90 HE22 -0.18 -0.16 0.07 -0.04 7.69 7.38 1kl1A1 PRO 91 HA -0.12 0.02 0.32 -0.51 4.44 4.15 1kl1A1 PRO 91 HB2 0.00 -0.13 -0.30 -0.04 2.28 1.81 1kl1A1 PRO 91 HB3 -0.02 -0.04 -0.20 -0.04 2.02 1.72 1kl1A1 PRO 91 HG2 0.01 -0.04 -0.23 -0.04 2.03 1.73 1kl1A1 PRO 91 HG3 0.00 0.10 -0.13 -0.04 2.03 1.96 1kl1A1 PRO 91 HD2 0.03 0.30 -0.35 -0.04 3.68 3.62 1kl1A1 PRO 91 HD3 0.04 -0.08 -0.20 -0.04 3.65 3.37 1kl1A1 HIS 92 H -0.14 0.13 0.17 -0.55 8.41 8.03 1kl1A1 HIS 92 HA -0.03 0.17 0.37 -0.75 4.63 4.39 1kl1A1 HIS 92 HB2 -0.02 -0.09 0.07 -0.04 3.26 3.19 1kl1A1 HIS 92 HB3 -0.02 0.02 0.08 -0.04 3.20 3.23 1kl1A1 HIS 92 HD2 -0.02 0.01 0.03 -0.04 6.97 6.94 1kl1A1 HIS 92 HE1 -0.04 0.10 0.09 -0.04 7.75 7.86 1kl1A1 SER 93 H 0.06 0.14 -0.24 -0.55 8.46 7.86 1kl1A1 SER 93 HA 0.10 0.15 0.29 -0.75 4.49 4.28 1kl1A1 SER 93 HB2 0.08 -0.04 0.07 -0.04 3.95 4.02 1kl1A1 SER 93 HB3 0.06 0.30 -0.31 -0.04 3.93 3.94 1kl1A1 GLY 94 H 0.11 0.24 0.04 -0.55 8.43 8.27 1kl1A1 GLY 94 HA2 -0.01 0.16 0.38 -0.51 4.01 4.03 1kl1A1 GLY 94 HA3 -0.02 0.07 0.24 -0.51 4.01 3.79 1kl1A1 ALA 95 H 0.07 0.12 -0.13 -0.55 8.40 7.92 1kl1A1 ALA 95 HA 0.16 0.07 0.35 -0.75 4.34 4.18 1kl1A1 ALA 95 HB3 0.14 0.04 0.02 -0.04 1.41 1.56 1kl1A1 GLN 96 H 0.03 0.02 -0.35 -0.55 8.47 7.62 1kl1A1 GLN 96 HA -0.08 0.15 0.39 -0.75 4.36 4.06 1kl1A1 GLN 96 HB2 0.02 -0.19 0.06 -0.04 2.15 1.99 1kl1A1 GLN 96 HB3 -0.05 0.07 -0.03 -0.04 2.02 1.96 1kl1A1 GLN 96 HG2 0.06 0.04 -0.01 -0.04 2.40 2.45 1kl1A1 GLN 96 HG3 -0.06 0.16 -0.02 -0.04 2.39 2.43 1kl1A1 GLN 96 HE21 -0.08 -0.02 -0.13 -0.04 6.97 6.71 1kl1A1 GLN 96 HE22 -0.15 0.12 -0.10 -0.04 7.69 7.52 1kl1A1 ALA 97 H -0.00 0.38 -0.27 -0.55 8.40 7.96 1kl1A1 ALA 97 HA -0.03 0.08 0.36 -0.75 4.34 3.99 1kl1A1 ALA 97 HB3 -0.02 0.01 0.07 -0.04 1.41 1.43 1kl1A1 ASN 98 H -0.03 0.52 -0.10 -0.55 8.53 8.37 1kl1A1 ASN 98 HA -0.27 0.02 0.40 -0.75 4.76 4.16 1kl1A1 ASN 98 HB2 0.07 0.05 0.11 -0.04 2.88 3.07 1kl1A1 ASN 98 HB3 -0.30 0.06 -0.04 -0.04 2.79 2.47 1kl1A1 ASN 98 HD21 0.18 -0.10 -0.13 -0.04 7.03 6.95 1kl1A1 ASN 98 HD22 0.21 -0.03 -0.13 -0.04 7.74 7.75 1kl1A1 MET 99 H 0.02 0.54 -0.15 -0.55 8.47 8.33 1kl1A1 MET 99 HA 0.35 0.01 0.33 -0.75 4.52 4.45 1kl1A1 MET 99 HB2 -0.42 -0.04 0.06 -0.04 2.15 1.70 1kl1A1 MET 99 HB3 -0.15 0.03 0.12 -0.04 2.03 1.98 1kl1A1 MET 99 HG2 -0.17 0.08 -0.24 -0.04 2.63 2.25 1kl1A1 MET 99 HG3 -0.39 -0.03 -0.03 -0.04 2.56 2.07 1kl1A1 MET 99 HE3 -1.10 -0.03 -0.05 -0.04 2.10 0.87 1kl1A1 ALA 100 H -0.06 0.48 -0.29 -0.55 8.40 7.98 1kl1A1 ALA 100 HA 0.05 0.10 0.31 -0.75 4.34 4.04 1kl1A1 ALA 100 HB3 -0.01 0.01 -0.05 -0.04 1.41 1.32 1kl1A1 VAL 101 H -0.15 0.39 -0.21 -0.55 8.24 7.73 1kl1A1 VAL 101 HA -0.34 0.04 0.45 -0.75 4.13 3.53 1kl1A1 VAL 101 HB -0.33 0.08 0.09 -0.04 2.12 1.92 1kl1A1 VAL 101 HG13 -0.67 -0.01 -0.19 -0.04 0.97 0.06 1kl1A1 VAL 101 HG23 -0.17 0.02 -0.05 -0.04 0.95 0.70 1kl1A1 TYR 102 H -0.17 0.53 -0.14 -0.55 8.29 7.96 1kl1A1 TYR 102 HA -0.23 -0.01 0.31 -0.75 4.56 3.88 1kl1A1 TYR 102 HB2 0.26 0.09 0.05 -0.04 3.06 3.42 1kl1A1 TYR 102 HB3 -0.26 0.01 -0.08 -0.04 2.98 2.61 1kl1A1 TYR 102 HD2 0.19 -0.03 -0.15 -0.04 7.15 7.12 1kl1A1 TYR 102 HE2 0.02 -0.03 -0.09 -0.04 6.85 6.71 1kl1A1 PHE 103 H 0.29 0.53 -0.22 -0.55 8.34 8.40 1kl1A1 PHE 103 HA 0.13 0.06 0.37 -0.75 4.62 4.43 1kl1A1 PHE 103 HB2 0.08 0.01 0.06 -0.04 3.15 3.26 1kl1A1 PHE 103 HB3 0.01 0.06 0.06 -0.04 3.06 3.15 1kl1A1 PHE 103 HD2 0.05 -0.04 -0.05 -0.04 7.28 7.20 1kl1A1 PHE 103 HE2 0.01 -0.03 -0.02 -0.04 7.38 7.29 1kl1A1 PHE 103 HZ -0.01 -0.01 -0.01 -0.04 7.32 7.25 1kl1A1 THR 104 H -0.01 0.33 -0.38 -0.55 8.28 7.67 1kl1A1 THR 104 HA -0.11 0.03 0.46 -0.75 4.39 4.02 1kl1A1 THR 104 HB -0.33 0.12 0.13 -0.04 4.32 4.21 1kl1A1 THR 104 HG23 -0.08 -0.04 -0.21 -0.04 1.22 0.84 1kl1A1 VAL 105 H -0.26 0.39 -0.06 -0.55 8.24 7.77 1kl1A1 VAL 105 HA -0.21 0.24 1.02 -0.75 4.13 4.42 1kl1A1 VAL 105 HB -0.53 -0.01 0.05 -0.04 2.12 1.59 1kl1A1 VAL 105 HG13 -0.70 -0.03 -0.13 -0.04 0.97 0.07 1kl1A1 VAL 105 HG23 -0.36 0.05 -0.12 -0.04 0.95 0.47 1kl1A1 LEU 106 H -0.12 0.56 -0.02 -0.55 8.37 8.23 1kl1A1 LEU 106 HA -0.08 0.15 1.01 -0.75 4.35 4.67 1kl1A1 LEU 106 HB2 -0.29 0.09 -0.08 -0.04 1.64 1.32 1kl1A1 LEU 106 HB3 -0.22 0.03 -0.08 -0.04 1.64 1.33 1kl1A1 LEU 106 HG -0.27 -0.07 -0.16 -0.04 1.64 1.10 1kl1A1 LEU 106 HD13 -0.95 -0.03 -0.15 -0.04 0.93 -0.24 1kl1A1 LEU 106 HD23 -0.20 0.02 -0.21 -0.04 0.89 0.46 1kl1A1 GLU 107 H 0.02 0.11 0.15 -0.55 8.60 8.35 1kl1A1 GLU 107 HA 0.08 0.14 0.71 -0.75 4.29 4.46 1kl1A1 GLU 107 HB2 0.04 -0.01 0.07 -0.04 2.09 2.14 1kl1A1 GLU 107 HB3 0.06 0.03 0.07 -0.04 1.99 2.11 1kl1A1 GLU 107 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 1kl1A1 GLU 107 HG3 0.00 0.01 -0.21 -0.04 2.34 2.09 1kl1A1 HIS 108 H 0.19 0.09 0.13 -0.55 8.41 8.27 1kl1A1 HIS 108 HA -0.01 0.12 0.46 -0.75 4.63 4.45 1kl1A1 HIS 108 HB2 0.01 -0.02 0.16 -0.04 3.26 3.36 1kl1A1 HIS 108 HB3 0.01 -0.06 0.16 -0.04 3.20 3.27 1kl1A1 HIS 108 HD2 -0.00 -0.06 -0.12 -0.04 6.97 6.75 1kl1A1 HIS 108 HE1 -0.04 0.03 0.03 -0.04 7.75 7.72 1kl1A1 GLY 109 H -0.35 0.73 0.48 -0.55 8.43 8.74 1kl1A1 GLY 109 HA2 -0.24 -0.00 0.30 -0.51 4.01 3.56 1kl1A1 GLY 109 HA3 -0.18 0.06 0.53 -0.51 4.01 3.91 1kl1A1 ASP 110 H 0.10 0.48 -0.12 -0.55 8.40 8.31 1kl1A1 ASP 110 HA -0.02 0.06 0.45 -0.75 4.63 4.37 1kl1A1 ASP 110 HB2 -0.01 0.04 0.11 -0.04 2.71 2.81 1kl1A1 ASP 110 HB3 -0.08 0.02 0.04 -0.04 2.70 2.64 1kl1A1 THR 111 H -0.06 0.14 0.26 -0.55 8.28 8.07 1kl1A1 THR 111 HA -0.15 0.33 0.80 -0.75 4.39 4.62 1kl1A1 THR 111 HB -0.04 0.03 0.12 -0.04 4.32 4.39 1kl1A1 THR 111 HG23 -0.07 0.02 -0.16 -0.04 1.22 0.97 1kl1A1 VAL 112 H -0.41 0.67 0.27 -0.55 8.24 8.22 1kl1A1 VAL 112 HA -0.33 0.22 1.00 -0.75 4.13 4.27 1kl1A1 VAL 112 HB -2.20 -0.06 -0.13 -0.04 2.12 -0.31 1kl1A1 VAL 112 HG13 -0.47 -0.02 -0.23 -0.04 0.97 0.21 1kl1A1 VAL 112 HG23 -0.74 0.02 -0.31 -0.04 0.95 -0.12 1kl1A1 LEU 113 H -0.11 0.58 0.34 -0.55 8.37 8.63 1kl1A1 LEU 113 HA -0.03 0.29 0.97 -0.75 4.35 4.83 1kl1A1 LEU 113 HB2 0.05 0.07 -0.08 -0.04 1.64 1.63 1kl1A1 LEU 113 HB3 0.10 -0.01 0.17 -0.04 1.64 1.85 1kl1A1 LEU 113 HG 0.42 -0.07 -0.28 -0.04 1.64 1.67 1kl1A1 LEU 113 HD13 0.17 0.03 -0.31 -0.04 0.93 0.78 1kl1A1 LEU 113 HD23 0.16 0.00 -0.11 -0.04 0.89 0.91 1kl1A1 GLY 114 H 0.02 0.67 0.39 -0.55 8.43 8.96 1kl1A1 GLY 114 HA2 0.05 0.27 0.92 -0.51 4.01 4.74 1kl1A1 GLY 114 HA3 0.08 0.05 0.33 -0.51 4.01 3.96 1kl1A1 MET 115 H -0.22 0.14 0.16 -0.55 8.47 8.00 1kl1A1 MET 115 HA -1.27 0.09 0.61 -0.75 4.52 3.20 1kl1A1 MET 115 HB2 -0.07 0.02 0.09 -0.04 2.15 2.16 1kl1A1 MET 115 HB3 -0.05 -0.09 0.02 -0.04 2.03 1.86 1kl1A1 MET 115 HG2 -0.08 0.02 -0.27 -0.04 2.63 2.26 1kl1A1 MET 115 HG3 -0.03 0.01 -0.06 -0.04 2.56 2.43 1kl1A1 MET 115 HE3 -0.26 0.06 -0.12 -0.04 2.10 1.73 1kl1A1 ASN 116 H -0.38 0.69 0.32 -0.55 8.53 8.62 1kl1A1 ASN 116 HA -0.24 0.07 0.36 -0.75 4.76 4.20 1kl1A1 ASN 116 HB2 -0.44 0.19 -0.00 -0.04 2.88 2.58 1kl1A1 ASN 116 HB3 -0.64 -0.11 0.13 -0.04 2.79 2.13 1kl1A1 ASN 116 HD21 -0.35 0.06 -0.05 -0.04 7.03 6.65 1kl1A1 ASN 116 HD22 -0.43 0.06 -0.11 -0.04 7.74 7.23 1kl1A1 LEU 117 H -0.16 0.23 0.12 -0.55 8.37 8.02 1kl1A1 LEU 117 HA -0.10 0.09 0.30 -0.75 4.35 3.89 1kl1A1 LEU 117 HB2 -0.14 0.02 0.06 -0.04 1.64 1.54 1kl1A1 LEU 117 HB3 -0.13 0.01 -0.08 -0.04 1.64 1.40 1kl1A1 LEU 117 HG -0.17 -0.01 -0.43 -0.04 1.64 0.99 1kl1A1 LEU 117 HD13 -0.14 0.03 -0.25 -0.04 0.93 0.53 1kl1A1 LEU 117 HD23 -0.19 -0.01 -0.16 -0.04 0.89 0.49 1kl1A1 SER 118 H -0.14 0.08 -0.28 -0.55 8.46 7.58 1kl1A1 SER 118 HA -0.05 0.17 0.49 -0.75 4.49 4.36 1kl1A1 SER 118 HB2 -0.02 0.05 0.08 -0.04 3.95 4.02 1kl1A1 SER 118 HB3 -0.06 0.01 0.00 -0.04 3.93 3.84 1kl1A1 HIS 119 H -0.02 0.36 -0.47 -0.55 8.41 7.73 1kl1A1 HIS 119 HA -0.09 0.22 0.80 -0.75 4.63 4.81 1kl1A1 HIS 119 HB2 -0.09 0.04 0.03 -0.04 3.26 3.20 1kl1A1 HIS 119 HB3 -0.03 0.01 0.13 -0.04 3.20 3.26 1kl1A1 HIS 119 HD2 -0.26 0.02 -0.51 -0.04 6.97 6.17 1kl1A1 HIS 119 HE1 -0.28 0.10 0.03 -0.04 7.75 7.55 1kl1A1 GLY 120 H 0.01 0.25 -0.29 -0.55 8.43 7.85 1kl1A1 GLY 120 HA2 0.03 0.05 0.13 -0.51 4.01 3.70 1kl1A1 GLY 120 HA3 0.08 0.18 0.69 -0.51 4.01 4.45 1kl1A1 GLY 121 H -0.02 0.42 -0.15 -0.55 8.43 8.13 1kl1A1 GLY 121 HA2 0.15 0.03 0.40 -0.51 4.01 4.08 1kl1A1 GLY 121 HA3 0.02 0.32 0.09 -0.51 4.01 3.93 1kl1A1 HIS 122 H -0.12 0.14 0.14 -0.55 8.41 8.02 1kl1A1 HIS 122 HA -0.18 0.24 0.76 -0.75 4.63 4.69 1kl1A1 HIS 122 HB2 -0.35 0.04 0.00 -0.04 3.26 2.92 1kl1A1 HIS 122 HB3 -1.25 -0.00 -0.06 -0.04 3.20 1.85 1kl1A1 HIS 122 HD2 -0.06 0.14 0.06 -0.04 6.97 7.06 1kl1A1 HIS 122 HE1 -0.02 0.04 -0.03 -0.04 7.75 7.69 1kl1A1 LEU 123 H -1.16 0.21 0.12 -0.55 8.37 7.00 1kl1A1 LEU 123 HA -0.34 0.10 0.34 -0.75 4.35 3.70 1kl1A1 LEU 123 HB2 -0.46 0.10 0.12 -0.04 1.64 1.37 1kl1A1 LEU 123 HB3 -0.81 -0.06 0.10 -0.04 1.64 0.83 1kl1A1 LEU 123 HG -0.20 -0.07 -0.16 -0.04 1.64 1.17 1kl1A1 LEU 123 HD13 -0.16 0.02 -0.02 -0.04 0.93 0.74 1kl1A1 LEU 123 HD23 -0.08 0.02 -0.06 -0.04 0.89 0.74 1kl1A1 THR 124 H -0.33 0.08 -0.28 -0.55 8.28 7.20 1kl1A1 THR 124 HA -0.17 0.07 0.50 -0.75 4.39 4.04 1kl1A1 THR 124 HB 0.20 0.08 0.11 -0.04 4.32 4.67 1kl1A1 THR 124 HG23 0.24 -0.02 -0.02 -0.04 1.22 1.38 1kl1A1 HIS 125 H -0.22 0.54 -0.70 -0.55 8.41 7.48 1kl1A1 HIS 125 HA -0.10 0.21 0.71 -0.75 4.63 4.70 1kl1A1 HIS 125 HB2 -0.10 0.12 0.11 -0.04 3.26 3.35 1kl1A1 HIS 125 HB3 -0.00 0.01 0.13 -0.04 3.20 3.29 1kl1A1 HIS 125 HD2 0.16 0.16 -0.50 -0.04 6.97 6.74 1kl1A1 HIS 125 HE1 0.07 0.04 -0.28 -0.04 7.75 7.53 1kl1A1 GLY 126 H -0.65 0.02 -0.43 -0.55 8.43 6.82 1kl1A1 GLY 126 HA2 -1.30 0.07 -0.04 -0.51 4.01 2.23 1kl1A1 GLY 126 HA3 -0.98 0.26 0.79 -0.51 4.01 3.57 1kl1A1 SER 127 H -0.33 0.32 0.08 -0.55 8.46 7.98 1kl1A1 SER 127 HA -0.17 0.13 0.36 -0.75 4.49 4.05 1kl1A1 SER 127 HB2 -0.20 -0.01 0.12 -0.04 3.95 3.82 1kl1A1 SER 127 HB3 -0.20 0.04 0.18 -0.04 3.93 3.91 1kl1A1 PRO 128 HA -0.07 0.20 0.33 -0.51 4.44 4.40 1kl1A1 PRO 128 HB2 -0.03 0.03 -0.01 -0.04 2.28 2.23 1kl1A1 PRO 128 HB3 -0.04 0.12 0.11 -0.04 2.02 2.18 1kl1A1 PRO 128 HG2 -0.04 -0.01 0.04 -0.04 2.03 1.98 1kl1A1 PRO 128 HG3 -0.04 0.07 0.08 -0.04 2.03 2.09 1kl1A1 PRO 128 HD2 -0.09 -0.02 0.21 -0.04 3.68 3.74 1kl1A1 PRO 128 HD3 -0.10 0.22 0.22 -0.04 3.65 3.96 1kl1A1 VAL 129 H -0.06 -0.01 -0.36 -0.55 8.24 7.26 1kl1A1 VAL 129 HA -0.01 0.29 0.84 -0.75 4.13 4.50 1kl1A1 VAL 129 HB 0.00 0.01 0.15 -0.04 2.12 2.24 1kl1A1 VAL 129 HG13 0.01 0.01 -0.08 -0.04 0.97 0.87 1kl1A1 VAL 129 HG23 -0.02 -0.02 -0.08 -0.04 0.95 0.78 1kl1A1 ASN 130 H -0.09 0.42 -0.31 -0.55 8.53 8.00 1kl1A1 ASN 130 HA 0.03 0.19 0.78 -0.75 4.76 5.00 1kl1A1 ASN 130 HB2 -0.11 -0.02 -0.08 -0.04 2.88 2.63 1kl1A1 ASN 130 HB3 -0.20 0.11 0.08 -0.04 2.79 2.74 1kl1A1 ASN 130 HD21 0.23 -0.02 -0.03 -0.04 7.03 7.17 1kl1A1 ASN 130 HD22 0.07 0.11 -0.01 -0.04 7.74 7.87 1kl1A1 PHE 131 H 0.33 0.14 0.09 -0.55 8.34 8.34 1kl1A1 PHE 131 HA 0.01 0.14 0.27 -0.75 4.62 4.28 1kl1A1 PHE 131 HB2 0.05 0.10 0.02 -0.04 3.15 3.27 1kl1A1 PHE 131 HB3 0.04 0.02 0.09 -0.04 3.06 3.17 1kl1A1 PHE 131 HD2 0.14 0.03 -0.11 -0.04 7.28 7.29 1kl1A1 PHE 131 HE2 0.31 0.00 -0.05 -0.04 7.38 7.59 1kl1A1 PHE 131 HZ 0.14 -0.01 -0.08 -0.04 7.32 7.34 1kl1A1 SER 132 H -1.11 -0.02 -0.26 -0.55 8.46 6.53 1kl1A1 SER 132 HA -0.08 0.12 0.35 -0.75 4.49 4.12 1kl1A1 SER 132 HB2 -0.46 0.11 -0.15 -0.04 3.95 3.41 1kl1A1 SER 132 HB3 -0.56 0.04 0.03 -0.04 3.93 3.40 1kl1A1 GLY 133 H -0.26 0.14 -0.30 -0.55 8.43 7.47 1kl1A1 GLY 133 HA2 -0.01 0.09 0.34 -0.51 4.01 3.91 1kl1A1 GLY 133 HA3 -0.13 0.13 -0.15 -0.51 4.01 3.35 1kl1A1 VAL 134 H -0.06 0.22 -0.26 -0.55 8.24 7.60 1kl1A1 VAL 134 HA -0.02 0.11 0.61 -0.75 4.13 4.08 1kl1A1 VAL 134 HB 0.02 -0.06 0.03 -0.04 2.12 2.07 1kl1A1 VAL 134 HG13 0.03 -0.02 -0.15 -0.04 0.97 0.80 1kl1A1 VAL 134 HG23 0.00 0.02 -0.15 -0.04 0.95 0.78 1kl1A1 GLN 135 H -0.10 0.57 -0.04 -0.55 8.47 8.36 1kl1A1 GLN 135 HA -0.09 0.06 0.58 -0.75 4.36 4.15 1kl1A1 GLN 135 HB2 -0.09 -0.08 0.06 -0.04 2.15 1.99 1kl1A1 GLN 135 HB3 -0.71 0.05 0.02 -0.04 2.02 1.34 1kl1A1 GLN 135 HG2 -0.55 -0.02 -0.13 -0.04 2.40 1.66 1kl1A1 GLN 135 HG3 -1.05 -0.04 -0.17 -0.04 2.39 1.08 1kl1A1 GLN 135 HE21 0.11 -0.00 0.01 -0.04 6.97 7.05 1kl1A1 GLN 135 HE22 0.12 0.02 -0.05 -0.04 7.69 7.73 1kl1A1 TYR 136 H -0.09 0.40 -0.12 -0.55 8.29 7.94 1kl1A1 TYR 136 HA -0.14 -0.01 0.87 -0.75 4.56 4.53 1kl1A1 TYR 136 HB2 -0.01 -0.00 -0.11 -0.04 3.06 2.90 1kl1A1 TYR 136 HB3 -0.21 0.20 -0.03 -0.04 2.98 2.90 1kl1A1 TYR 136 HD2 -0.03 0.05 -0.03 -0.04 7.15 7.10 1kl1A1 TYR 136 HE2 0.21 -0.03 -0.36 -0.04 6.85 6.63 1kl1A1 ASN 137 H -0.02 0.72 -0.05 -0.55 8.53 8.63 1kl1A1 ASN 137 HA 0.01 0.14 0.73 -0.75 4.76 4.88 1kl1A1 ASN 137 HB2 -0.04 0.04 -0.02 -0.04 2.88 2.81 1kl1A1 ASN 137 HB3 -0.07 -0.00 -0.02 -0.04 2.79 2.66 1kl1A1 ASN 137 HD21 -0.04 -0.04 -0.06 -0.04 7.03 6.84 1kl1A1 ASN 137 HD22 -0.04 0.01 -0.00 -0.04 7.74 7.66 1kl1A1 PHE 138 H 0.20 0.26 0.13 -0.55 8.34 8.37 1kl1A1 PHE 138 HA -0.10 0.27 0.86 -0.75 4.62 4.90 1kl1A1 PHE 138 HB2 -0.09 0.04 0.11 -0.04 3.15 3.16 1kl1A1 PHE 138 HB3 -0.11 -0.02 -0.08 -0.04 3.06 2.82 1kl1A1 PHE 138 HD2 -0.09 0.12 -0.26 -0.04 7.28 7.01 1kl1A1 PHE 138 HE2 -0.16 -0.01 -0.26 -0.04 7.38 6.91 1kl1A1 PHE 138 HZ -0.59 -0.02 -0.21 -0.04 7.32 6.45 1kl1A1 VAL 139 H -0.09 0.70 0.50 -0.55 8.24 8.79 1kl1A1 VAL 139 HA -0.13 0.12 0.80 -0.75 4.13 4.16 1kl1A1 VAL 139 HB -0.37 -0.05 0.10 -0.04 2.12 1.75 1kl1A1 VAL 139 HG13 -0.55 0.02 -0.12 -0.04 0.97 0.27 1kl1A1 VAL 139 HG23 -0.15 0.02 -0.07 -0.04 0.95 0.70 1kl1A1 ALA 140 H -0.08 0.18 0.17 -0.55 8.40 8.12 1kl1A1 ALA 140 HA -0.14 0.43 1.14 -0.75 4.34 5.01 1kl1A1 ALA 140 HB3 -0.16 -0.03 -0.08 -0.04 1.41 1.10 1kl1A1 TYR 141 H -0.55 0.48 0.31 -0.55 8.29 7.98 1kl1A1 TYR 141 HA -0.00 0.21 0.82 -0.75 4.56 4.84 1kl1A1 TYR 141 HB2 -0.03 -0.05 -0.04 -0.04 3.06 2.90 1kl1A1 TYR 141 HB3 0.01 0.11 -0.08 -0.04 2.98 2.97 1kl1A1 TYR 141 HD2 0.02 0.04 -0.29 -0.04 7.15 6.89 1kl1A1 TYR 141 HE2 0.12 0.07 -0.14 -0.04 6.85 6.86 1kl1A1 GLY 142 H 0.16 0.16 0.13 -0.55 8.43 8.34 1kl1A1 GLY 142 HA2 0.09 0.14 0.94 -0.51 4.01 4.67 1kl1A1 GLY 142 HA3 0.18 0.11 0.29 -0.51 4.01 4.07 1kl1A1 VAL 143 H 0.60 0.17 0.11 -0.55 8.24 8.58 1kl1A1 VAL 143 HA 0.13 -0.00 0.82 -0.75 4.13 4.33 1kl1A1 VAL 143 HB 0.20 -0.02 -0.68 -0.04 2.12 1.58 1kl1A1 VAL 143 HG13 0.15 -0.00 -0.18 -0.04 0.97 0.90 1kl1A1 VAL 143 HG23 0.03 0.04 -0.15 -0.04 0.95 0.83 1kl1A1 ASP 144 H 0.12 0.62 0.13 -0.55 8.40 8.71 1kl1A1 ASP 144 HA 0.08 0.13 0.42 -0.75 4.63 4.50 1kl1A1 ASP 144 HB2 0.05 0.09 0.14 -0.04 2.71 2.94 1kl1A1 ASP 144 HB3 0.04 -0.18 0.18 -0.04 2.70 2.69 1kl1A1 PRO 145 HA -0.18 0.13 0.35 -0.51 4.44 4.23 1kl1A1 PRO 145 HB2 -0.21 0.05 -0.04 -0.04 2.28 2.04 1kl1A1 PRO 145 HB3 -0.61 0.08 0.10 -0.04 2.02 1.54 1kl1A1 PRO 145 HG2 -0.16 0.05 0.09 -0.04 2.03 1.97 1kl1A1 PRO 145 HG3 -0.35 0.07 0.10 -0.04 2.03 1.81 1kl1A1 PRO 145 HD2 -0.05 0.05 0.22 -0.04 3.68 3.86 1kl1A1 PRO 145 HD3 0.01 0.15 0.25 -0.04 3.65 4.02 1kl1A1 GLU 146 H -0.10 -0.07 -0.23 -0.55 8.60 7.66 1kl1A1 GLU 146 HA -0.20 0.29 0.90 -0.75 4.29 4.52 1kl1A1 GLU 146 HB2 -0.09 -0.09 0.09 -0.04 2.09 1.96 1kl1A1 GLU 146 HB3 -0.10 0.06 -0.04 -0.04 1.99 1.87 1kl1A1 GLU 146 HG2 -0.06 -0.00 -0.01 -0.04 2.34 2.22 1kl1A1 GLU 146 HG3 -0.07 0.05 0.02 -0.04 2.34 2.30 1kl1A1 THR 147 H -0.11 -0.05 0.02 -0.55 8.28 7.59 1kl1A1 THR 147 HA -0.15 0.26 0.60 -0.75 4.39 4.35 1kl1A1 THR 147 HB -0.01 0.10 0.09 -0.04 4.32 4.46 1kl1A1 THR 147 HG23 -0.03 0.01 0.02 -0.04 1.22 1.18 1kl1A1 HIS 148 H -0.10 0.30 -0.21 -0.55 8.41 7.85 1kl1A1 HIS 148 HA 0.09 0.17 0.18 -0.75 4.63 4.31 1kl1A1 HIS 148 HB2 0.04 0.11 0.07 -0.04 3.26 3.44 1kl1A1 HIS 148 HB3 0.07 -0.02 0.15 -0.04 3.20 3.36 1kl1A1 HIS 148 HD2 0.08 0.04 -0.10 -0.04 6.97 6.94 1kl1A1 HIS 148 HE1 0.02 0.02 0.01 -0.04 7.75 7.76 1kl1A1 VAL 149 H 0.11 -0.05 -0.40 -0.55 8.24 7.35 1kl1A1 VAL 149 HA 0.37 0.16 0.68 -0.75 4.13 4.59 1kl1A1 VAL 149 HB 0.11 -0.10 0.03 -0.04 2.12 2.13 1kl1A1 VAL 149 HG13 0.22 0.04 0.00 -0.04 0.97 1.20 1kl1A1 VAL 149 HG23 0.08 0.08 -0.07 -0.04 0.95 1.00 1kl1A1 ILE 150 H 0.25 0.17 0.12 -0.55 8.25 8.24 1kl1A1 ILE 150 HA -0.04 0.06 0.37 -0.75 4.18 3.82 1kl1A1 ILE 150 HB -0.36 -0.02 0.09 -0.04 1.89 1.55 1kl1A1 ILE 150 HG12 -0.15 0.03 -0.08 -0.04 1.49 1.24 1kl1A1 ILE 150 HG13 -0.64 0.04 0.03 -0.04 1.21 0.60 1kl1A1 ILE 150 HG23 -0.87 -0.02 -0.34 -0.04 0.93 -0.33 1kl1A1 ILE 150 HD13 -0.18 -0.00 -0.03 -0.04 0.88 0.63 1kl1A1 ASP 151 H -0.04 0.63 0.40 -0.55 8.40 8.85 1kl1A1 ASP 151 HA -0.01 0.13 0.73 -0.75 4.63 4.73 1kl1A1 ASP 151 HB2 0.05 0.04 0.04 -0.04 2.71 2.79 1kl1A1 ASP 151 HB3 0.03 0.06 0.21 -0.04 2.70 2.95 1kl1A1 TYR 152 H 0.06 0.35 0.14 -0.55 8.29 8.29 1kl1A1 TYR 152 HA -0.28 0.05 0.35 -0.75 4.56 3.92 1kl1A1 TYR 152 HB2 -0.12 0.04 0.11 -0.04 3.06 3.05 1kl1A1 TYR 152 HB3 -0.21 0.06 0.04 -0.04 2.98 2.83 1kl1A1 TYR 152 HD2 -0.34 0.04 0.01 -0.04 7.15 6.82 1kl1A1 TYR 152 HE2 -0.22 0.05 0.01 -0.04 6.85 6.65 1kl1A1 ASP 153 H 0.02 0.09 -0.17 -0.55 8.40 7.79 1kl1A1 ASP 153 HA -0.01 0.15 0.49 -0.75 4.63 4.51 1kl1A1 ASP 153 HB2 0.01 -0.03 0.03 -0.04 2.71 2.68 1kl1A1 ASP 153 HB3 0.00 0.08 0.02 -0.04 2.70 2.77 1kl1A1 ASP 154 H -0.02 0.12 -0.27 -0.55 8.40 7.69 1kl1A1 ASP 154 HA 0.02 0.10 0.56 -0.75 4.63 4.56 1kl1A1 ASP 154 HB2 0.05 -0.02 0.11 -0.04 2.71 2.80 1kl1A1 ASP 154 HB3 0.03 0.16 0.21 -0.04 2.70 3.06 1kl1A1 VAL 155 H -0.16 0.38 -0.06 -0.55 8.24 7.86 1kl1A1 VAL 155 HA -0.06 0.01 0.34 -0.75 4.13 3.67 1kl1A1 VAL 155 HB -0.34 0.13 0.08 -0.04 2.12 1.95 1kl1A1 VAL 155 HG13 -0.41 0.01 -0.16 -0.04 0.97 0.36 1kl1A1 VAL 155 HG23 -0.97 0.02 -0.10 -0.04 0.95 -0.14 1kl1A1 ARG 156 H -0.07 0.45 -0.23 -0.55 8.46 8.05 1kl1A1 ARG 156 HA -0.02 0.07 0.42 -0.75 4.34 4.05 1kl1A1 ARG 156 HB2 -0.04 -0.01 0.09 -0.04 1.90 1.90 1kl1A1 ARG 156 HB3 -0.02 0.04 0.16 -0.04 1.80 1.93 1kl1A1 ARG 156 HG2 -0.01 0.02 -0.21 -0.04 1.67 1.43 1kl1A1 ARG 156 HG3 -0.01 0.03 0.02 -0.04 1.67 1.66 1kl1A1 ARG 156 HD2 -0.02 -0.02 -0.03 -0.04 3.22 3.11 1kl1A1 ARG 156 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.10 1kl1A1 GLU 157 H -0.00 0.47 -0.12 -0.55 8.60 8.41 1kl1A1 GLU 157 HA -0.00 0.06 0.44 -0.75 4.29 4.04 1kl1A1 GLU 157 HB2 0.01 0.01 0.12 -0.04 2.09 2.19 1kl1A1 GLU 157 HB3 0.02 -0.02 0.19 -0.04 1.99 2.14 1kl1A1 GLU 157 HG2 0.01 0.02 -0.19 -0.04 2.34 2.13 1kl1A1 GLU 157 HG3 -0.01 0.01 0.03 -0.04 2.34 2.33 1kl1A1 LYS 158 H 0.06 0.56 -0.09 -0.55 8.42 8.40 1kl1A1 LYS 158 HA 0.13 0.02 0.38 -0.75 4.32 4.09 1kl1A1 LYS 158 HB2 0.15 0.06 0.03 -0.04 1.87 2.07 1kl1A1 LYS 158 HB3 0.23 -0.03 -0.08 -0.04 1.79 1.86 1kl1A1 LYS 158 HG2 0.11 0.06 0.12 -0.04 1.46 1.71 1kl1A1 LYS 158 HG3 0.14 0.01 -0.01 -0.04 1.46 1.56 1kl1A1 LYS 158 HD2 0.22 -0.01 0.04 -0.04 1.69 1.89 1kl1A1 LYS 158 HD3 0.15 -0.03 0.01 -0.04 1.68 1.76 1kl1A1 LYS 158 HE2 0.08 0.16 0.15 -0.04 2.99 3.33 1kl1A1 LYS 158 HE3 0.10 -0.03 0.06 -0.04 2.99 3.07 1kl1A1 ALA 159 H 0.06 0.53 -0.20 -0.55 8.40 8.25 1kl1A1 ALA 159 HA 0.08 0.02 0.41 -0.75 4.34 4.10 1kl1A1 ALA 159 HB3 0.04 0.01 0.02 -0.04 1.41 1.44 1kl1A1 ARG 160 H 0.01 0.55 -0.12 -0.55 8.46 8.35 1kl1A1 ARG 160 HA -0.00 0.09 0.47 -0.75 4.34 4.15 1kl1A1 ARG 160 HB2 -0.01 0.02 0.14 -0.04 1.90 2.01 1kl1A1 ARG 160 HB3 -0.01 -0.05 0.01 -0.04 1.80 1.71 1kl1A1 ARG 160 HG2 -0.00 0.02 -0.01 -0.04 1.67 1.64 1kl1A1 ARG 160 HG3 0.00 0.05 0.05 -0.04 1.67 1.73 1kl1A1 ARG 160 HD2 -0.01 -0.08 -0.05 -0.04 3.22 3.05 1kl1A1 ARG 160 HD3 -0.01 -0.05 -0.08 -0.04 3.22 3.05 1kl1A1 LEU 161 H -0.04 0.44 -0.19 -0.55 8.37 8.03 1kl1A1 LEU 161 HA -0.11 0.05 0.61 -0.75 4.35 4.15 1kl1A1 LEU 161 HB2 -0.13 -0.04 0.10 -0.04 1.64 1.52 1kl1A1 LEU 161 HB3 -0.27 0.02 0.18 -0.04 1.64 1.53 1kl1A1 LEU 161 HG -0.77 0.03 -0.24 -0.04 1.64 0.62 1kl1A1 LEU 161 HD13 -0.14 -0.01 0.03 -0.04 0.93 0.77 1kl1A1 LEU 161 HD23 -0.17 -0.04 -0.03 -0.04 0.89 0.61 1kl1A1 HIS 162 H -0.03 0.59 0.03 -0.55 8.41 8.46 1kl1A1 HIS 162 HA -0.00 0.11 0.65 -0.75 4.63 4.63 1kl1A1 HIS 162 HB2 -0.00 0.08 0.00 -0.04 3.26 3.31 1kl1A1 HIS 162 HB3 -0.02 -0.04 -0.01 -0.04 3.20 3.09 1kl1A1 HIS 162 HD2 0.02 -0.00 0.07 -0.04 6.97 7.01 1kl1A1 HIS 162 HE1 0.00 -0.03 -0.02 -0.04 7.75 7.65 1kl1A1 ARG 163 H 0.04 0.38 -0.24 -0.55 8.46 8.09 1kl1A1 ARG 163 HA 0.02 0.14 0.33 -0.75 4.34 4.08 1kl1A1 ARG 163 HB2 0.02 0.02 -0.10 -0.04 1.90 1.80 1kl1A1 ARG 163 HB3 0.01 -0.00 0.09 -0.04 1.80 1.86 1kl1A1 ARG 163 HG2 -0.00 0.06 -0.33 -0.04 1.67 1.36 1kl1A1 ARG 163 HG3 -0.00 -0.11 -0.05 -0.04 1.67 1.47 1kl1A1 ARG 163 HD2 0.00 0.11 0.08 -0.04 3.22 3.37 1kl1A1 ARG 163 HD3 -0.01 -0.06 0.06 -0.04 3.22 3.17 1kl1A1 PRO 164 HA -0.03 0.06 0.32 -0.51 4.44 4.28 1kl1A1 PRO 164 HB2 -0.04 0.09 -0.12 -0.04 2.28 2.17 1kl1A1 PRO 164 HB3 -0.04 -0.07 -0.26 -0.04 2.02 1.60 1kl1A1 PRO 164 HG2 0.04 0.02 -0.14 -0.04 2.03 1.91 1kl1A1 PRO 164 HG3 0.06 -0.10 -0.09 -0.04 2.03 1.86 1kl1A1 PRO 164 HD2 0.04 0.25 0.18 -0.04 3.68 4.11 1kl1A1 PRO 164 HD3 0.08 0.02 -0.10 -0.04 3.65 3.61 1kl1A1 LYS 165 H -0.06 0.45 0.36 -0.55 8.42 8.62 1kl1A1 LYS 165 HA 0.02 0.19 0.63 -0.75 4.32 4.41 1kl1A1 LYS 165 HB2 -0.01 -0.02 0.21 -0.04 1.87 2.01 1kl1A1 LYS 165 HB3 -0.05 -0.02 0.13 -0.04 1.79 1.80 1kl1A1 LYS 165 HG2 0.07 -0.01 -0.02 -0.04 1.46 1.46 1kl1A1 LYS 165 HG3 0.11 0.02 0.18 -0.04 1.46 1.73 1kl1A1 LYS 165 HD2 0.03 -0.00 0.11 -0.04 1.69 1.78 1kl1A1 LYS 165 HD3 -0.01 -0.11 0.12 -0.04 1.68 1.65 1kl1A1 LYS 165 HE2 0.03 0.48 0.21 -0.04 2.99 3.67 1kl1A1 LYS 165 HE3 0.08 -0.06 0.09 -0.04 2.99 3.06 1kl1A1 LEU 166 H -0.07 0.26 0.11 -0.55 8.37 8.13 1kl1A1 LEU 166 HA 0.11 0.22 0.88 -0.75 4.35 4.81 1kl1A1 LEU 166 HB2 -0.04 0.06 -0.22 -0.04 1.64 1.40 1kl1A1 LEU 166 HB3 -0.16 -0.04 -0.04 -0.04 1.64 1.35 1kl1A1 LEU 166 HG 0.03 0.00 -0.50 -0.04 1.64 1.13 1kl1A1 LEU 166 HD13 0.11 0.02 -0.23 -0.04 0.93 0.79 1kl1A1 LEU 166 HD23 0.01 -0.02 -0.22 -0.04 0.89 0.61 1kl1A1 ILE 167 H 0.12 0.68 0.27 -0.55 8.25 8.78 1kl1A1 ILE 167 HA 0.09 0.18 1.02 -0.75 4.18 4.71 1kl1A1 ILE 167 HB 0.18 -0.02 0.09 -0.04 1.89 2.10 1kl1A1 ILE 167 HG12 0.12 0.01 -0.09 -0.04 1.49 1.48 1kl1A1 ILE 167 HG13 0.10 0.06 -0.29 -0.04 1.21 1.04 1kl1A1 ILE 167 HG23 0.31 -0.03 -0.16 -0.04 0.93 1.02 1kl1A1 ILE 167 HD13 0.12 -0.01 -0.15 -0.04 0.88 0.80 1kl1A1 VAL 168 H 0.12 0.89 0.40 -0.55 8.24 9.11 1kl1A1 VAL 168 HA 0.02 0.29 1.12 -0.75 4.13 4.80 1kl1A1 VAL 168 HB 0.01 -0.04 0.14 -0.04 2.12 2.19 1kl1A1 VAL 168 HG13 -0.35 -0.04 -0.19 -0.04 0.97 0.36 1kl1A1 VAL 168 HG23 0.16 0.01 -0.18 -0.04 0.95 0.90 1kl1A1 ALA 169 H -0.12 0.68 0.42 -0.55 8.40 8.83 1kl1A1 ALA 169 HA -0.24 0.15 0.95 -0.75 4.34 4.44 1kl1A1 ALA 169 HB3 -0.95 -0.01 -0.02 -0.04 1.41 0.40 1kl1A1 ALA 170 H -0.03 0.12 0.10 -0.55 8.40 8.05 1kl1A1 ALA 170 HA 0.12 0.02 0.26 -0.75 4.34 3.99 1kl1A1 ALA 170 HB3 0.12 -0.02 0.23 -0.04 1.41 1.70 1kl1A1 ALA 171 H 0.15 0.24 0.22 -0.55 8.40 8.47 1kl1A1 ALA 171 HA 0.20 0.06 0.73 -0.75 4.34 4.58 1kl1A1 ALA 171 HB3 0.12 0.03 -0.22 -0.04 1.41 1.30 1kl1A1 SER 172 H 0.04 0.69 0.19 -0.55 8.46 8.83 1kl1A1 SER 172 HA -0.26 0.07 0.74 -0.75 4.49 4.29 1kl1A1 SER 172 HB2 0.04 0.19 -0.04 -0.04 3.95 4.10 1kl1A1 SER 172 HB3 0.06 0.02 0.05 -0.04 3.93 4.02 1kl1A1 ALA 173 H -0.01 0.19 -0.03 -0.55 8.40 8.00 1kl1A1 ALA 173 HA -0.13 0.14 0.53 -0.75 4.34 4.12 1kl1A1 ALA 173 HB3 -0.04 0.02 -0.08 -0.04 1.41 1.27 1kl1A1 TYR 174 H 0.08 0.14 -0.14 -0.55 8.29 7.83 1kl1A1 TYR 174 HA 0.01 0.32 0.88 -0.75 4.56 5.02 1kl1A1 TYR 174 HB2 0.06 -0.03 -0.06 -0.04 3.06 2.98 1kl1A1 TYR 174 HB3 0.06 -0.06 0.09 -0.04 2.98 3.03 1kl1A1 TYR 174 HD2 0.09 0.09 0.02 -0.04 7.15 7.31 1kl1A1 TYR 174 HE2 0.10 0.19 -0.07 -0.04 6.85 7.03 1kl1A1 PRO 175 HA -0.14 0.05 0.55 -0.51 4.44 4.39 1kl1A1 PRO 175 HB2 -0.11 0.11 0.32 -0.04 2.28 2.55 1kl1A1 PRO 175 HB3 -0.11 -0.01 0.05 -0.04 2.02 1.91 1kl1A1 PRO 175 HG2 -0.20 0.03 -0.05 -0.04 2.03 1.77 1kl1A1 PRO 175 HG3 -0.08 0.13 0.04 -0.04 2.03 2.08 1kl1A1 PRO 175 HD2 -0.20 0.10 0.20 -0.04 3.68 3.75 1kl1A1 PRO 175 HD3 -0.06 0.23 0.04 -0.04 3.65 3.83 1kl1A1 ARG 176 H -0.98 0.09 -0.34 -0.55 8.46 6.67 1kl1A1 ARG 176 HA -0.14 0.11 0.96 -0.75 4.34 4.51 1kl1A1 ARG 176 HB2 -0.64 -0.06 -0.01 -0.04 1.90 1.15 1kl1A1 ARG 176 HB3 -0.10 0.03 0.06 -0.04 1.80 1.75 1kl1A1 ARG 176 HG2 -0.25 -0.00 -0.25 -0.04 1.67 1.12 1kl1A1 ARG 176 HG3 -0.09 0.03 -0.07 -0.04 1.67 1.50 1kl1A1 ARG 176 HD2 -0.06 -0.03 -0.04 -0.04 3.22 3.04 1kl1A1 ARG 176 HD3 -0.10 0.01 -0.11 -0.04 3.22 2.97 1kl1A1 ILE 177 H -0.03 0.15 0.12 -0.55 8.25 7.94 1kl1A1 ILE 177 HA 0.10 0.04 0.46 -0.75 4.18 4.04 1kl1A1 ILE 177 HB -0.08 -0.03 0.11 -0.04 1.89 1.86 1kl1A1 ILE 177 HG12 -0.37 0.03 0.10 -0.04 1.49 1.21 1kl1A1 ILE 177 HG13 -0.05 -0.06 0.06 -0.04 1.21 1.11 1kl1A1 ILE 177 HG23 -0.35 -0.01 -0.14 -0.04 0.93 0.39 1kl1A1 ILE 177 HD13 -0.09 0.04 0.08 -0.04 0.88 0.86 1kl1A1 ILE 178 H 0.23 0.16 0.18 -0.55 8.25 8.28 1kl1A1 ILE 178 HA 0.23 0.13 0.78 -0.75 4.18 4.57 1kl1A1 ILE 178 HB -0.25 0.02 0.07 -0.04 1.89 1.69 1kl1A1 ILE 178 HG12 0.19 -0.01 -0.05 -0.04 1.49 1.57 1kl1A1 ILE 178 HG13 0.45 0.17 -0.10 -0.04 1.21 1.69 1kl1A1 ILE 178 HG23 0.02 -0.03 -0.22 -0.04 0.93 0.66 1kl1A1 ILE 178 HD13 0.23 -0.02 -0.01 -0.04 0.88 1.03 1kl1A1 ASP 179 H 0.18 0.17 0.06 -0.55 8.40 8.27 1kl1A1 ASP 179 HA -0.27 0.17 0.66 -0.75 4.63 4.44 1kl1A1 ASP 179 HB2 -0.26 0.13 0.05 -0.04 2.71 2.59 1kl1A1 ASP 179 HB3 -0.57 -0.03 0.21 -0.04 2.70 2.27 1kl1A1 PHE 180 H -0.45 0.38 0.06 -0.55 8.34 7.77 1kl1A1 PHE 180 HA 0.13 0.04 0.29 -0.75 4.62 4.33 1kl1A1 PHE 180 HB2 -0.33 0.08 -0.04 -0.04 3.15 2.82 1kl1A1 PHE 180 HB3 0.01 0.06 -0.05 -0.04 3.06 3.04 1kl1A1 PHE 180 HD2 0.07 0.02 -0.26 -0.04 7.28 7.06 1kl1A1 PHE 180 HE2 0.16 0.14 -0.13 -0.04 7.38 7.52 1kl1A1 PHE 180 HZ 0.07 -0.04 -0.05 -0.04 7.32 7.25 1kl1A1 ALA 181 H -0.49 0.10 -0.18 -0.55 8.40 7.28 1kl1A1 ALA 181 HA -0.28 0.16 0.43 -0.75 4.34 3.90 1kl1A1 ALA 181 HB3 -0.21 0.03 0.02 -0.04 1.41 1.21 1kl1A1 LYS 182 H -0.19 0.11 -0.28 -0.55 8.42 7.50 1kl1A1 LYS 182 HA -0.11 0.11 0.42 -0.75 4.32 3.99 1kl1A1 LYS 182 HB2 -0.51 0.07 0.10 -0.04 1.87 1.48 1kl1A1 LYS 182 HB3 -0.28 -0.00 -0.01 -0.04 1.79 1.46 1kl1A1 LYS 182 HG2 -0.22 0.06 -0.01 -0.04 1.46 1.25 1kl1A1 LYS 182 HG3 -0.33 -0.05 0.01 -0.04 1.46 1.05 1kl1A1 LYS 182 HD2 -1.11 -0.03 0.03 -0.04 1.69 0.54 1kl1A1 LYS 182 HD3 -0.43 -0.03 -0.00 -0.04 1.68 1.19 1kl1A1 LYS 182 HE2 -0.19 0.04 -0.02 -0.04 2.99 2.78 1kl1A1 LYS 182 HE3 -0.28 0.01 -0.00 -0.04 2.99 2.67 1kl1A1 PHE 183 H 0.18 0.32 -0.17 -0.55 8.34 8.12 1kl1A1 PHE 183 HA 0.05 0.02 0.35 -0.75 4.62 4.28 1kl1A1 PHE 183 HB2 0.14 0.04 0.09 -0.04 3.15 3.38 1kl1A1 PHE 183 HB3 0.12 0.05 -0.11 -0.04 3.06 3.07 1kl1A1 PHE 183 HD2 0.08 0.11 -0.15 -0.04 7.28 7.28 1kl1A1 PHE 183 HE2 -0.22 -0.00 -0.10 -0.04 7.38 7.02 1kl1A1 PHE 183 HZ -0.48 -0.03 -0.07 -0.04 7.32 6.70 1kl1A1 ARG 184 H 0.17 0.53 -0.21 -0.55 8.46 8.39 1kl1A1 ARG 184 HA 0.15 0.04 0.42 -0.75 4.34 4.20 1kl1A1 ARG 184 HB2 0.20 0.08 0.11 -0.04 1.90 2.25 1kl1A1 ARG 184 HB3 0.19 0.00 0.15 -0.04 1.80 2.09 1kl1A1 ARG 184 HG2 0.11 0.05 0.09 -0.04 1.67 1.88 1kl1A1 ARG 184 HG3 0.10 -0.06 -0.12 -0.04 1.67 1.55 1kl1A1 ARG 184 HD2 0.10 -0.13 0.15 -0.04 3.22 3.31 1kl1A1 ARG 184 HD3 -0.01 0.16 0.15 -0.04 3.22 3.48 1kl1A1 GLU 185 H 0.05 0.48 -0.16 -0.55 8.60 8.42 1kl1A1 GLU 185 HA 0.04 0.04 0.45 -0.75 4.29 4.06 1kl1A1 GLU 185 HB2 0.01 0.06 0.13 -0.04 2.09 2.26 1kl1A1 GLU 185 HB3 -0.02 0.04 0.15 -0.04 1.99 2.12 1kl1A1 GLU 185 HG2 -0.00 0.00 -0.08 -0.04 2.34 2.22 1kl1A1 GLU 185 HG3 0.01 -0.00 0.03 -0.04 2.34 2.34 1kl1A1 ILE 186 H 0.01 0.50 -0.21 -0.55 8.25 8.00 1kl1A1 ILE 186 HA 0.00 0.03 0.44 -0.75 4.18 3.90 1kl1A1 ILE 186 HB -0.01 0.09 0.09 -0.04 1.89 2.01 1kl1A1 ILE 186 HG12 -0.04 -0.03 -0.01 -0.04 1.49 1.37 1kl1A1 ILE 186 HG13 -0.05 0.03 0.01 -0.04 1.21 1.16 1kl1A1 ILE 186 HG23 -0.00 -0.00 -0.22 -0.04 0.93 0.66 1kl1A1 ILE 186 HD13 -0.16 -0.05 -0.12 -0.04 0.88 0.52 1kl1A1 ALA 187 H 0.10 0.53 -0.10 -0.55 8.40 8.39 1kl1A1 ALA 187 HA 0.08 0.00 0.30 -0.75 4.34 3.97 1kl1A1 ALA 187 HB3 0.15 0.07 -0.01 -0.04 1.41 1.58 1kl1A1 ASP 188 H 0.07 0.61 -0.17 -0.55 8.40 8.35 1kl1A1 ASP 188 HA 0.04 0.03 0.43 -0.75 4.63 4.37 1kl1A1 ASP 188 HB2 0.04 0.09 0.16 -0.04 2.71 2.97 1kl1A1 ASP 188 HB3 0.03 -0.06 0.02 -0.04 2.70 2.65 1kl1A1 GLU 189 H 0.03 0.40 -0.23 -0.55 8.60 8.26 1kl1A1 GLU 189 HA 0.01 -0.03 0.39 -0.75 4.29 3.90 1kl1A1 GLU 189 HB2 0.01 -0.03 0.14 -0.04 2.09 2.16 1kl1A1 GLU 189 HB3 0.01 0.13 0.14 -0.04 1.99 2.22 1kl1A1 GLU 189 HG2 0.00 0.05 -0.19 -0.04 2.34 2.16 1kl1A1 GLU 189 HG3 0.00 -0.04 0.06 -0.04 2.34 2.32 1kl1A1 VAL 190 H 0.02 0.35 -0.28 -0.55 8.24 7.78 1kl1A1 VAL 190 HA 0.00 0.17 0.87 -0.75 4.13 4.42 1kl1A1 VAL 190 HB 0.01 0.05 0.06 -0.04 2.12 2.20 1kl1A1 VAL 190 HG13 0.01 -0.04 -0.28 -0.04 0.97 0.62 1kl1A1 VAL 190 HG23 0.03 0.03 -0.14 -0.04 0.95 0.83 1kl1A1 GLY 191 H 0.00 0.25 -0.22 -0.55 8.43 7.91 1kl1A1 GLY 191 HA2 -0.04 -0.04 0.31 -0.51 4.01 3.74 1kl1A1 GLY 191 HA3 -0.03 -0.01 0.43 -0.51 4.01 3.89 1kl1A1 ALA 192 H 0.01 0.50 0.07 -0.55 8.40 8.42 1kl1A1 ALA 192 HA -0.04 0.30 0.94 -0.75 4.34 4.79 1kl1A1 ALA 192 HB3 0.05 -0.02 -0.23 -0.04 1.41 1.17 1kl1A1 TYR 193 H 0.15 0.64 0.32 -0.55 8.29 8.85 1kl1A1 TYR 193 HA -0.22 0.07 0.60 -0.75 4.56 4.25 1kl1A1 TYR 193 HB2 0.02 0.00 0.09 -0.04 3.06 3.14 1kl1A1 TYR 193 HB3 0.08 -0.11 -0.00 -0.04 2.98 2.91 1kl1A1 TYR 193 HD2 -0.37 0.08 0.08 -0.04 7.15 6.91 1kl1A1 TYR 193 HE2 0.07 0.00 0.02 -0.04 6.85 6.90 1kl1A1 LEU 194 H 0.93 0.10 0.24 -0.55 8.37 9.09 1kl1A1 LEU 194 HA 0.21 0.30 1.07 -0.75 4.35 5.18 1kl1A1 LEU 194 HB2 0.21 0.09 -0.06 -0.04 1.64 1.83 1kl1A1 LEU 194 HB3 0.16 -0.03 0.21 -0.04 1.64 1.95 1kl1A1 LEU 194 HG 0.09 -0.08 -0.44 -0.04 1.64 1.17 1kl1A1 LEU 194 HD13 0.12 0.04 -0.14 -0.04 0.93 0.91 1kl1A1 LEU 194 HD23 0.16 0.02 -0.24 -0.04 0.89 0.79 1kl1A1 MET 195 H 0.13 0.79 0.36 -0.55 8.47 9.20 1kl1A1 MET 195 HA 0.18 0.26 1.03 -0.75 4.52 5.23 1kl1A1 MET 195 HB2 0.13 0.03 -0.06 -0.04 2.15 2.21 1kl1A1 MET 195 HB3 0.09 0.03 0.09 -0.04 2.03 2.20 1kl1A1 MET 195 HG2 0.01 -0.11 -0.45 -0.04 2.63 2.03 1kl1A1 MET 195 HG3 0.04 0.01 -0.18 -0.04 2.56 2.39 1kl1A1 MET 195 HE3 -0.07 -0.03 -0.13 -0.04 2.10 1.83 1kl1A1 VAL 196 H -0.02 0.66 0.36 -0.55 8.24 8.69 1kl1A1 VAL 196 HA -0.09 0.24 1.12 -0.75 4.13 4.64 1kl1A1 VAL 196 HB -0.25 0.01 0.15 -0.04 2.12 1.99 1kl1A1 VAL 196 HG13 -0.37 -0.03 -0.23 -0.04 0.97 0.30 1kl1A1 VAL 196 HG23 -0.28 -0.01 -0.15 -0.04 0.95 0.47 1kl1A1 ASP 197 H -0.05 0.71 0.27 -0.55 8.40 8.78 1kl1A1 ASP 197 HA -0.03 0.15 0.89 -0.75 4.63 4.88 1kl1A1 ASP 197 HB2 0.05 0.06 -0.01 -0.04 2.71 2.77 1kl1A1 ASP 197 HB3 0.10 0.04 0.13 -0.04 2.70 2.92 1kl1A1 MET 198 H -0.09 0.69 0.20 -0.55 8.47 8.72 1kl1A1 MET 198 HA 0.00 0.12 0.72 -0.75 4.52 4.62 1kl1A1 MET 198 HB2 -0.07 -0.06 0.08 -0.04 2.15 2.06 1kl1A1 MET 198 HB3 -0.13 0.04 -0.01 -0.04 2.03 1.89 1kl1A1 MET 198 HG2 -0.19 0.18 -0.02 -0.04 2.63 2.56 1kl1A1 MET 198 HG3 -0.17 -0.09 -0.17 -0.04 2.56 2.09 1kl1A1 MET 198 HE3 -0.94 0.02 -0.16 -0.04 2.10 0.99 1kl1A1 ALA 199 H -0.02 0.15 -0.35 -0.55 8.40 7.63 1kl1A1 ALA 199 HA -0.12 -0.02 0.38 -0.75 4.34 3.83 1kl1A1 ALA 199 HB3 -0.12 0.02 0.06 -0.04 1.41 1.34 1kl1A1 HIS 200 H 0.14 0.17 -0.10 -0.55 8.41 8.08 1kl1A1 HIS 200 HA -0.06 0.06 0.60 -0.75 4.63 4.47 1kl1A1 HIS 200 HB2 0.08 0.11 0.19 -0.04 3.26 3.60 1kl1A1 HIS 200 HB3 0.22 0.03 -0.03 -0.04 3.20 3.39 1kl1A1 HIS 200 HD2 -0.01 -0.09 0.05 -0.04 6.97 6.88 1kl1A1 HIS 200 HE1 0.08 -0.10 -0.21 -0.04 7.75 7.47 1kl1A1 ILE 201 H 0.03 0.20 -0.11 -0.55 8.25 7.82 1kl1A1 ILE 201 HA -0.13 0.15 0.73 -0.75 4.18 4.18 1kl1A1 ILE 201 HB -0.12 0.01 0.13 -0.04 1.89 1.87 1kl1A1 ILE 201 HG12 -0.02 -0.09 0.09 -0.04 1.49 1.44 1kl1A1 ILE 201 HG13 -0.08 0.08 -0.13 -0.04 1.21 1.04 1kl1A1 ILE 201 HG23 0.10 -0.01 -0.04 -0.04 0.93 0.95 1kl1A1 ILE 201 HD13 -0.42 0.01 -0.00 -0.04 0.88 0.44 1kl1A1 ALA 202 H -0.04 0.33 -0.22 -0.55 8.40 7.93 1kl1A1 ALA 202 HA 0.07 0.05 0.21 -0.75 4.34 3.92 1kl1A1 ALA 202 HB3 0.00 -0.00 -0.03 -0.04 1.41 1.34 1kl1A1 GLY 203 H 0.09 -0.01 -0.34 -0.55 8.43 7.62 1kl1A1 GLY 203 HA2 0.33 0.16 0.34 -0.51 4.01 4.33 1kl1A1 GLY 203 HA3 0.32 0.24 -0.16 -0.51 4.01 3.90 1kl1A1 LEU 204 H 0.07 0.09 -0.24 -0.55 8.37 7.75 1kl1A1 LEU 204 HA 0.07 0.11 0.42 -0.75 4.35 4.20 1kl1A1 LEU 204 HB2 0.11 0.07 0.07 -0.04 1.64 1.85 1kl1A1 LEU 204 HB3 0.12 0.04 -0.10 -0.04 1.64 1.66 1kl1A1 LEU 204 HG -0.03 -0.09 0.06 -0.04 1.64 1.54 1kl1A1 LEU 204 HD13 0.14 -0.00 0.01 -0.04 0.93 1.03 1kl1A1 LEU 204 HD23 -0.03 0.02 -0.06 -0.04 0.89 0.78 1kl1A1 VAL 205 H 0.15 0.49 -0.10 -0.55 8.24 8.22 1kl1A1 VAL 205 HA 0.22 0.18 0.41 -0.75 4.13 4.18 1kl1A1 VAL 205 HB 0.29 0.10 0.10 -0.04 2.12 2.58 1kl1A1 VAL 205 HG13 0.29 -0.00 -0.12 -0.04 0.97 1.09 1kl1A1 VAL 205 HG23 0.13 0.02 -0.09 -0.04 0.95 0.98 1kl1A1 ALA 206 H 0.21 0.48 -0.17 -0.55 8.40 8.37 1kl1A1 ALA 206 HA -0.21 0.15 0.38 -0.75 4.34 3.91 1kl1A1 ALA 206 HB3 -0.20 -0.00 0.07 -0.04 1.41 1.24 1kl1A1 ALA 207 H 0.15 0.21 -0.43 -0.55 8.40 7.78 1kl1A1 ALA 207 HA 0.11 0.19 0.74 -0.75 4.34 4.62 1kl1A1 ALA 207 HB3 0.11 -0.02 0.12 -0.04 1.41 1.58 1kl1A1 GLY 208 H 0.09 0.42 -0.33 -0.55 8.43 8.06 1kl1A1 GLY 208 HA2 0.08 0.04 0.31 -0.51 4.01 3.93 1kl1A1 GLY 208 HA3 0.05 0.05 0.48 -0.51 4.01 4.08 1kl1A1 LEU 209 H 0.10 0.59 -0.02 -0.55 8.37 8.50 1kl1A1 LEU 209 HA 0.05 0.17 0.76 -0.75 4.35 4.58 1kl1A1 LEU 209 HB2 0.06 -0.07 0.01 -0.04 1.64 1.61 1kl1A1 LEU 209 HB3 0.04 -0.03 0.09 -0.04 1.64 1.70 1kl1A1 LEU 209 HG 0.03 0.14 -0.40 -0.04 1.64 1.37 1kl1A1 LEU 209 HD13 -0.03 -0.01 -0.20 -0.04 0.93 0.65 1kl1A1 LEU 209 HD23 0.01 0.01 -0.08 -0.04 0.89 0.80 1kl1A1 HIS 210 H 0.19 0.32 -0.18 -0.55 8.41 8.19 1kl1A1 HIS 210 HA 0.08 0.15 0.62 -0.75 4.63 4.74 1kl1A1 HIS 210 HB2 0.11 -0.02 -0.17 -0.04 3.26 3.15 1kl1A1 HIS 210 HB3 0.15 -0.06 -0.15 -0.04 3.20 3.10 1kl1A1 HIS 210 HD2 0.11 0.02 -0.04 -0.04 6.97 7.02 1kl1A1 HIS 210 HE1 -0.04 -0.01 0.07 -0.04 7.75 7.73 1kl1A1 PRO 211 HA 0.17 0.08 0.43 -0.51 4.44 4.61 1kl1A1 PRO 211 HB2 0.22 -0.05 -0.02 -0.04 2.28 2.39 1kl1A1 PRO 211 HB3 0.14 0.03 0.07 -0.04 2.02 2.22 1kl1A1 PRO 211 HG2 -0.22 0.00 0.06 -0.04 2.03 1.83 1kl1A1 PRO 211 HG3 -0.07 0.08 0.05 -0.04 2.03 2.05 1kl1A1 PRO 211 HD2 -1.17 0.01 0.19 -0.04 3.68 2.67 1kl1A1 PRO 211 HD3 -0.25 0.22 0.10 -0.04 3.65 3.68 1kl1A1 ASN 212 H 0.24 0.14 0.19 -0.55 8.53 8.56 1kl1A1 ASN 212 HA 0.23 0.13 0.61 -0.75 4.76 4.98 1kl1A1 ASN 212 HB2 0.16 0.15 0.16 -0.04 2.88 3.31 1kl1A1 ASN 212 HB3 0.15 -0.04 0.18 -0.04 2.79 3.03 1kl1A1 ASN 212 HD21 0.14 0.46 0.13 -0.04 7.03 7.72 1kl1A1 ASN 212 HD22 0.10 0.01 0.03 -0.04 7.74 7.84 1kl1A1 PRO 213 HA -0.11 0.04 0.43 -0.51 4.44 4.29 1kl1A1 PRO 213 HB2 -0.45 0.03 -0.09 -0.04 2.28 1.72 1kl1A1 PRO 213 HB3 -1.67 -0.03 0.02 -0.04 2.02 0.29 1kl1A1 PRO 213 HG2 -0.22 0.06 -0.00 -0.04 2.03 1.82 1kl1A1 PRO 213 HG3 -0.36 -0.03 0.01 -0.04 2.03 1.61 1kl1A1 PRO 213 HD2 0.02 0.14 0.22 -0.04 3.68 4.01 1kl1A1 PRO 213 HD3 0.03 0.26 0.21 -0.04 3.65 4.12 1kl1A1 VAL 214 H -0.01 0.14 -0.25 -0.55 8.24 7.56 1kl1A1 VAL 214 HA -0.06 -0.00 0.22 -0.75 4.13 3.54 1kl1A1 VAL 214 HB 0.02 0.13 0.02 -0.04 2.12 2.25 1kl1A1 VAL 214 HG13 -0.01 0.01 -0.34 -0.04 0.97 0.59 1kl1A1 VAL 214 HG23 -0.02 -0.03 -0.08 -0.04 0.95 0.79 1kl1A1 PRO 215 HA -0.14 0.09 0.38 -0.51 4.44 4.26 1kl1A1 PRO 215 HB2 -0.55 -0.01 -0.07 -0.04 2.28 1.61 1kl1A1 PRO 215 HB3 -0.19 0.03 0.07 -0.04 2.02 1.89 1kl1A1 PRO 215 HG2 -0.22 0.03 -0.01 -0.04 2.03 1.79 1kl1A1 PRO 215 HG3 -0.09 0.06 0.02 -0.04 2.03 1.98 1kl1A1 PRO 215 HD2 0.03 0.17 -0.37 -0.04 3.68 3.48 1kl1A1 PRO 215 HD3 -0.01 0.16 0.00 -0.04 3.65 3.76 1kl1A1 TYR 216 H 0.03 0.35 -0.43 -0.55 8.29 7.69 1kl1A1 TYR 216 HA -0.02 0.19 0.84 -0.75 4.56 4.82 1kl1A1 TYR 216 HB2 0.06 0.01 -0.10 -0.04 3.06 2.99 1kl1A1 TYR 216 HB3 0.09 -0.02 -0.11 -0.04 2.98 2.90 1kl1A1 TYR 216 HD2 0.10 0.08 -0.06 -0.04 7.15 7.23 1kl1A1 TYR 216 HE2 0.10 0.05 -0.05 -0.04 6.85 6.91 1kl1A1 ALA 217 H -0.02 0.41 -0.01 -0.55 8.40 8.23 1kl1A1 ALA 217 HA -0.05 0.12 0.92 -0.75 4.34 4.58 1kl1A1 ALA 217 HB3 -0.05 -0.01 -0.09 -0.04 1.41 1.22 1kl1A1 HIS 218 H -0.04 0.30 0.34 -0.55 8.41 8.47 1kl1A1 HIS 218 HA -0.07 0.05 0.58 -0.75 4.63 4.44 1kl1A1 HIS 218 HB2 -0.30 0.05 0.17 -0.04 3.26 3.14 1kl1A1 HIS 218 HB3 -0.91 -0.03 0.06 -0.04 3.20 2.28 1kl1A1 HIS 218 HD2 0.31 -0.05 0.02 -0.04 6.97 7.21 1kl1A1 HIS 218 HE1 0.03 0.18 0.07 -0.04 7.75 7.99 1kl1A1 PHE 219 H 0.05 0.40 0.21 -0.55 8.34 8.44 1kl1A1 PHE 219 HA 0.01 0.26 1.02 -0.75 4.62 5.15 1kl1A1 PHE 219 HB2 -0.06 -0.11 0.02 -0.04 3.15 2.96 1kl1A1 PHE 219 HB3 -0.06 0.01 -0.02 -0.04 3.06 2.94 1kl1A1 PHE 219 HD2 -0.09 -0.00 -0.10 -0.04 7.28 7.05 1kl1A1 PHE 219 HE2 -0.51 0.01 -0.08 -0.04 7.38 6.75 1kl1A1 PHE 219 HZ -1.27 0.06 -0.09 -0.04 7.32 5.99 1kl1A1 VAL 220 H 0.06 0.88 0.32 -0.55 8.24 8.95 1kl1A1 VAL 220 HA -0.05 0.20 1.13 -0.75 4.13 4.65 1kl1A1 VAL 220 HB -0.11 -0.03 0.09 -0.04 2.12 2.02 1kl1A1 VAL 220 HG13 -0.20 -0.00 -0.09 -0.04 0.97 0.63 1kl1A1 VAL 220 HG23 -0.12 -0.01 -0.27 -0.04 0.95 0.51 1kl1A1 THR 221 H -0.05 0.51 0.34 -0.55 8.28 8.53 1kl1A1 THR 221 HA -0.06 0.36 1.24 -0.75 4.39 5.18 1kl1A1 THR 221 HB -0.05 -0.06 0.06 -0.04 4.32 4.23 1kl1A1 THR 221 HG23 -0.07 0.02 -0.22 -0.04 1.22 0.92 1kl1A1 THR 222 H -0.07 0.55 0.37 -0.55 8.28 8.58 1kl1A1 THR 222 HA -0.09 -0.16 0.57 -0.75 4.39 3.95 1kl1A1 THR 222 HB -0.19 0.07 -0.47 -0.04 4.32 3.69 1kl1A1 THR 222 HG23 -0.17 0.04 -0.37 -0.04 1.22 0.68 1kl1A1 THR 223 H -0.16 0.05 0.22 -0.55 8.28 7.85 1kl1A1 THR 223 HA -0.09 0.27 0.98 -0.75 4.39 4.80 1kl1A1 THR 223 HB -0.98 -0.01 0.20 -0.04 4.32 3.49 1kl1A1 THR 223 HG23 -0.15 -0.04 0.05 -0.04 1.22 1.04 1kl1A1 THR 224 H 0.03 0.50 0.13 -0.55 8.28 8.38 1kl1A1 THR 224 HA 0.08 0.18 0.68 -0.75 4.39 4.58 1kl1A1 THR 224 HB 0.10 0.01 -0.03 -0.04 4.32 4.36 1kl1A1 THR 224 HG23 0.23 -0.00 -0.33 -0.04 1.22 1.07 1kl1A1 HIS 225 H -0.38 -0.07 -0.13 -0.55 8.41 7.29 1kl1A1 HIS 225 HA 0.00 0.20 0.61 -0.75 4.63 4.69 1kl1A1 HIS 225 HB2 -0.03 0.08 0.01 -0.04 3.26 3.28 1kl1A1 HIS 225 HB3 -0.02 0.12 -0.52 -0.04 3.20 2.73 1kl1A1 HIS 225 HD2 -0.06 0.19 -0.10 -0.04 6.97 6.95 1kl1A1 HIS 225 HE1 -0.02 -0.13 0.12 -0.04 7.75 7.67 1kl1A1 LYS 226 H -0.18 -0.00 -0.25 -0.55 8.42 7.44 1kl1A1 LYS 226 HA -0.07 0.37 0.55 -0.75 4.32 4.41 1kl1A1 LYS 226 HB2 -0.24 0.07 0.21 -0.04 1.87 1.87 1kl1A1 LYS 226 HB3 -0.28 0.10 0.22 -0.04 1.79 1.80 1kl1A1 LYS 226 HG2 -0.21 0.43 0.06 -0.04 1.46 1.70 1kl1A1 LYS 226 HG3 -0.42 -0.21 -0.10 -0.04 1.46 0.69 1kl1A1 LYS 226 HD2 -0.45 -0.07 -0.33 -0.04 1.69 0.80 1kl1A1 LYS 226 HD3 -1.10 0.05 -0.01 -0.04 1.68 0.58 1kl1A1 LYS 226 HE2 -0.29 -0.06 -0.05 -0.04 2.99 2.56 1kl1A1 LYS 226 HE3 -0.21 0.08 -0.00 -0.04 2.99 2.82 1kl1A1 THR 227 H -0.13 0.27 0.18 -0.55 8.28 8.05 1kl1A1 THR 227 HA 0.05 0.18 0.27 -0.75 4.39 4.14 1kl1A1 THR 227 HB 0.01 0.01 0.08 -0.04 4.32 4.38 1kl1A1 THR 227 HG23 -0.35 0.01 0.13 -0.04 1.22 0.97 1kl1A1 LEU 228 H 0.05 -0.04 -0.45 -0.55 8.37 7.39 1kl1A1 LEU 228 HA 0.27 0.13 0.43 -0.75 4.35 4.42 1kl1A1 LEU 228 HB2 0.11 -0.18 -0.10 -0.04 1.64 1.43 1kl1A1 LEU 228 HB3 0.10 0.09 -0.21 -0.04 1.64 1.58 1kl1A1 LEU 228 HG 0.19 0.07 -0.11 -0.04 1.64 1.75 1kl1A1 LEU 228 HD13 0.04 0.03 -0.10 -0.04 0.93 0.85 1kl1A1 LEU 228 HD23 0.20 -0.02 -0.12 -0.04 0.89 0.91 1kl1A1 ARG 229 H 0.11 0.28 -0.64 -0.55 8.46 7.66 1kl1A1 ARG 229 HA 0.08 0.08 0.09 -0.75 4.34 3.84 1kl1A1 ARG 229 HB2 0.24 0.05 -0.30 -0.04 1.90 1.85 1kl1A1 ARG 229 HB3 0.20 0.10 -0.08 -0.04 1.80 1.97 1kl1A1 ARG 229 HG2 0.03 -0.12 0.12 -0.04 1.67 1.66 1kl1A1 ARG 229 HG3 0.03 -0.05 -0.07 -0.04 1.67 1.54 1kl1A1 ARG 229 HD2 -0.14 0.07 0.08 -0.04 3.22 3.19 1kl1A1 ARG 229 HD3 -0.23 0.00 -0.01 -0.04 3.22 2.94 1kl1A1 GLY 230 H 0.08 0.22 -0.06 -0.55 8.43 8.12 1kl1A1 GLY 230 HA2 0.00 0.08 0.76 -0.51 4.01 4.34 1kl1A1 GLY 230 HA3 0.02 0.04 0.22 -0.51 4.01 3.79 1kl1A1 PRO 231 HA -0.01 0.07 0.42 -0.51 4.44 4.42 1kl1A1 PRO 231 HB2 -0.06 0.06 -0.07 -0.04 2.28 2.18 1kl1A1 PRO 231 HB3 -0.05 0.02 0.01 -0.04 2.02 1.96 1kl1A1 PRO 231 HG2 -0.05 -0.01 -0.24 -0.04 2.03 1.69 1kl1A1 PRO 231 HG3 -0.11 0.03 -0.25 -0.04 2.03 1.65 1kl1A1 PRO 231 HD2 -0.09 0.11 0.03 -0.04 3.68 3.69 1kl1A1 PRO 231 HD3 -0.08 0.18 -0.06 -0.04 3.65 3.66 1kl1A1 ARG 232 H -0.06 0.13 0.10 -0.55 8.46 8.07 1kl1A1 ARG 232 HA -0.15 -0.05 0.52 -0.75 4.34 3.91 1kl1A1 ARG 232 HB2 -0.26 0.06 0.12 -0.04 1.90 1.78 1kl1A1 ARG 232 HB3 -0.15 0.02 0.19 -0.04 1.80 1.81 1kl1A1 ARG 232 HG2 -0.24 0.02 -0.08 -0.04 1.67 1.32 1kl1A1 ARG 232 HG3 -1.04 -0.08 0.05 -0.04 1.67 0.56 1kl1A1 ARG 232 HD2 -0.16 0.03 0.03 -0.04 3.22 3.08 1kl1A1 ARG 232 HD3 -0.20 -0.04 0.01 -0.04 3.22 2.94 1kl1A1 GLY 233 H 0.49 0.08 0.29 -0.55 8.43 8.75 1kl1A1 GLY 233 HA2 0.07 0.28 0.18 -0.51 4.01 4.04 1kl1A1 GLY 233 HA3 0.05 0.20 0.27 -0.51 4.01 4.03 1kl1A1 GLY 234 H 0.05 0.78 -0.06 -0.55 8.43 8.65 1kl1A1 GLY 234 HA2 0.02 0.12 0.98 -0.51 4.01 4.62 1kl1A1 GLY 234 HA3 0.02 -0.01 -0.01 -0.51 4.01 3.50 1kl1A1 MET 235 H -0.01 0.42 0.30 -0.55 8.47 8.62 1kl1A1 MET 235 HA 0.03 0.24 0.67 -0.75 4.52 4.70 1kl1A1 MET 235 HB2 0.11 0.11 -0.24 -0.04 2.15 2.09 1kl1A1 MET 235 HB3 -0.01 -0.08 -0.25 -0.04 2.03 1.65 1kl1A1 MET 235 HG2 -0.08 -0.05 -0.39 -0.04 2.63 2.07 1kl1A1 MET 235 HG3 0.01 0.13 -0.05 -0.04 2.56 2.62 1kl1A1 MET 235 HE3 -0.26 -0.01 -0.21 -0.04 2.10 1.58 1kl1A1 ILE 236 H 0.00 0.61 0.34 -0.55 8.25 8.65 1kl1A1 ILE 236 HA -0.02 0.23 1.11 -0.75 4.18 4.75 1kl1A1 ILE 236 HB 0.05 -0.05 0.10 -0.04 1.89 1.95 1kl1A1 ILE 236 HG12 -0.02 0.02 -0.04 -0.04 1.49 1.42 1kl1A1 ILE 236 HG13 -0.00 -0.16 -0.29 -0.04 1.21 0.72 1kl1A1 ILE 236 HG23 0.10 0.01 -0.18 -0.04 0.93 0.81 1kl1A1 ILE 236 HD13 0.01 0.02 -0.05 -0.04 0.88 0.82 1kl1A1 LEU 237 H -0.02 0.82 0.40 -0.55 8.37 9.02 1kl1A1 LEU 237 HA -0.02 0.30 1.05 -0.75 4.35 4.94 1kl1A1 LEU 237 HB2 -0.09 -0.08 0.08 -0.04 1.64 1.50 1kl1A1 LEU 237 HB3 -0.05 0.02 0.07 -0.04 1.64 1.65 1kl1A1 LEU 237 HG -0.21 -0.05 -0.24 -0.04 1.64 1.10 1kl1A1 LEU 237 HD13 -0.40 -0.01 -0.12 -0.04 0.93 0.36 1kl1A1 LEU 237 HD23 -0.09 0.03 -0.15 -0.04 0.89 0.64 1kl1A1 CYS 238 H 0.09 0.53 0.27 -0.55 8.50 8.84 1kl1A1 CYS 238 HA 0.04 0.20 0.53 -0.75 4.58 4.60 1kl1A1 CYS 238 HB2 0.15 0.12 0.21 -0.04 2.97 3.41 1kl1A1 CYS 238 HB3 0.25 0.02 -0.21 -0.04 2.97 2.99 1kl1A1 GLN 239 H 0.12 0.39 0.25 -0.55 8.47 8.68 1kl1A1 GLN 239 HA 0.02 0.08 0.65 -0.75 4.36 4.35 1kl1A1 GLN 239 HB2 -0.08 -0.22 0.02 -0.04 2.15 1.82 1kl1A1 GLN 239 HB3 -0.02 0.12 0.17 -0.04 2.02 2.25 1kl1A1 GLN 239 HG2 0.25 -0.01 0.18 -0.04 2.40 2.77 1kl1A1 GLN 239 HG3 -0.04 0.01 0.05 -0.04 2.39 2.36 1kl1A1 GLN 239 HE21 -0.07 0.14 -0.09 -0.04 6.97 6.92 1kl1A1 GLN 239 HE22 0.03 -0.06 0.01 -0.04 7.69 7.63 1kl1A1 GLU 240 H -0.02 0.20 0.20 -0.55 8.60 8.43 1kl1A1 GLU 240 HA -0.05 0.08 0.28 -0.75 4.29 3.84 1kl1A1 GLU 240 HB2 -0.02 0.06 0.17 -0.04 2.09 2.25 1kl1A1 GLU 240 HB3 -0.06 0.01 0.13 -0.04 1.99 2.03 1kl1A1 GLU 240 HG2 -0.03 0.05 0.03 -0.04 2.34 2.35 1kl1A1 GLU 240 HG3 -0.06 -0.00 -0.05 -0.04 2.34 2.19 1kl1A1 GLN 241 H -0.20 0.09 -0.20 -0.55 8.47 7.61 1kl1A1 GLN 241 HA -0.19 0.09 0.35 -0.75 4.36 3.86 1kl1A1 GLN 241 HB2 -0.34 0.06 0.08 -0.04 2.15 1.91 1kl1A1 GLN 241 HB3 -0.25 -0.01 0.08 -0.04 2.02 1.80 1kl1A1 GLN 241 HG2 -0.60 -0.10 -0.04 -0.04 2.40 1.63 1kl1A1 GLN 241 HG3 -1.82 0.06 -0.27 -0.04 2.39 0.31 1kl1A1 GLN 241 HE21 -0.12 0.04 -0.02 -0.04 6.97 6.83 1kl1A1 GLN 241 HE22 -0.32 -0.00 -0.03 -0.04 7.69 7.30 1kl1A1 PHE 242 H -0.16 0.46 -0.29 -0.55 8.34 7.80 1kl1A1 PHE 242 HA 0.04 0.23 0.95 -0.75 4.62 5.08 1kl1A1 PHE 242 HB2 0.08 0.05 -0.03 -0.04 3.15 3.21 1kl1A1 PHE 242 HB3 0.28 -0.03 0.09 -0.04 3.06 3.36 1kl1A1 PHE 242 HD2 -0.08 0.02 0.03 -0.04 7.28 7.20 1kl1A1 PHE 242 HE2 0.12 0.03 0.01 -0.04 7.38 7.49 1kl1A1 PHE 242 HZ 0.13 0.04 -0.02 -0.04 7.32 7.43 1kl1A1 ALA 243 H -0.08 0.44 -0.19 -0.55 8.40 8.02 1kl1A1 ALA 243 HA -0.22 0.01 0.20 -0.75 4.34 3.58 1kl1A1 ALA 243 HB3 -0.59 0.02 0.02 -0.04 1.41 0.82 1kl1A1 LYS 244 H -0.10 0.21 -0.15 -0.55 8.42 7.83 1kl1A1 LYS 244 HA -0.09 0.07 0.44 -0.75 4.32 3.99 1kl1A1 LYS 244 HB2 -0.06 0.01 0.07 -0.04 1.87 1.86 1kl1A1 LYS 244 HB3 -0.02 0.02 0.05 -0.04 1.79 1.80 1kl1A1 LYS 244 HG2 0.01 0.03 -0.15 -0.04 1.46 1.32 1kl1A1 LYS 244 HG3 0.00 -0.01 0.02 -0.04 1.46 1.43 1kl1A1 LYS 244 HD2 -0.01 -0.01 -0.00 -0.04 1.69 1.62 1kl1A1 LYS 244 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1kl1A1 LYS 244 HE2 0.02 0.02 -0.03 -0.04 2.99 2.95 1kl1A1 LYS 244 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.96 1kl1A1 GLN 245 H 0.05 0.12 -0.28 -0.55 8.47 7.81 1kl1A1 GLN 245 HA 0.05 0.07 0.37 -0.75 4.36 4.10 1kl1A1 GLN 245 HB2 0.17 0.06 0.09 -0.04 2.15 2.43 1kl1A1 GLN 245 HB3 0.07 0.08 0.02 -0.04 2.02 2.16 1kl1A1 GLN 245 HG2 0.05 0.04 0.02 -0.04 2.40 2.47 1kl1A1 GLN 245 HG3 0.06 -0.12 0.02 -0.04 2.39 2.31 1kl1A1 GLN 245 HE21 0.15 0.01 0.01 -0.04 6.97 7.10 1kl1A1 GLN 245 HE22 0.07 0.03 0.02 -0.04 7.69 7.76 1kl1A1 ILE 246 H 0.11 0.65 -0.13 -0.55 8.25 8.34 1kl1A1 ILE 246 HA 0.08 0.07 0.35 -0.75 4.18 3.92 1kl1A1 ILE 246 HB 0.17 0.09 -0.01 -0.04 1.89 2.09 1kl1A1 ILE 246 HG12 0.29 0.08 -0.05 -0.04 1.49 1.77 1kl1A1 ILE 246 HG13 0.35 -0.05 -0.15 -0.04 1.21 1.32 1kl1A1 ILE 246 HG23 0.15 -0.03 -0.26 -0.04 0.93 0.75 1kl1A1 ILE 246 HD13 -0.07 -0.00 -0.10 -0.04 0.88 0.67 1kl1A1 ASP 247 H 0.02 0.59 -0.17 -0.55 8.40 8.30 1kl1A1 ASP 247 HA 0.06 -0.07 0.40 -0.75 4.63 4.27 1kl1A1 ASP 247 HB2 -0.15 0.13 0.18 -0.04 2.71 2.84 1kl1A1 ASP 247 HB3 -0.56 -0.02 0.03 -0.04 2.70 2.11 1kl1A1 LYS 248 H 0.07 0.50 -0.19 -0.55 8.42 8.25 1kl1A1 LYS 248 HA 0.18 0.28 0.50 -0.75 4.32 4.53 1kl1A1 LYS 248 HB2 0.08 0.08 0.09 -0.04 1.87 2.07 1kl1A1 LYS 248 HB3 0.08 -0.05 0.05 -0.04 1.79 1.82 1kl1A1 LYS 248 HG2 0.11 -0.04 0.05 -0.04 1.46 1.54 1kl1A1 LYS 248 HG3 0.08 0.07 0.07 -0.04 1.46 1.63 1kl1A1 LYS 248 HD2 0.05 -0.02 -0.02 -0.04 1.69 1.66 1kl1A1 LYS 248 HD3 0.05 -0.07 -0.04 -0.04 1.68 1.58 1kl1A1 LYS 248 HE2 0.04 0.12 -0.47 -0.04 2.99 2.64 1kl1A1 LYS 248 HE3 0.04 0.06 -0.04 -0.04 2.99 3.01 1kl1A1 ALA 249 H 0.12 0.40 -0.32 -0.55 8.40 8.05 1kl1A1 ALA 249 HA 0.32 0.06 0.40 -0.75 4.34 4.37 1kl1A1 ALA 249 HB3 0.17 0.02 0.05 -0.04 1.41 1.62 1kl1A1 ILE 250 H 0.15 0.50 -0.22 -0.55 8.25 8.13 1kl1A1 ILE 250 HA 0.04 -0.06 0.47 -0.75 4.18 3.87 1kl1A1 ILE 250 HB 0.25 0.19 0.12 -0.04 1.89 2.41 1kl1A1 ILE 250 HG12 0.07 0.09 -0.05 -0.04 1.49 1.56 1kl1A1 ILE 250 HG13 0.09 -0.10 -0.08 -0.04 1.21 1.08 1kl1A1 ILE 250 HG23 0.12 -0.04 -0.23 -0.04 0.93 0.74 1kl1A1 ILE 250 HD13 -0.02 -0.03 -0.13 -0.04 0.88 0.66 1kl1A1 PHE 251 H 0.30 0.71 -0.25 -0.55 8.34 8.55 1kl1A1 PHE 251 HA 0.04 0.12 0.53 -0.75 4.62 4.56 1kl1A1 PHE 251 HB2 0.00 0.05 -0.16 -0.04 3.15 3.01 1kl1A1 PHE 251 HB3 0.04 -0.03 0.12 -0.04 3.06 3.16 1kl1A1 PHE 251 HD2 0.09 0.12 -0.07 -0.04 7.28 7.37 1kl1A1 PHE 251 HE2 -0.17 -0.03 -0.02 -0.04 7.38 7.13 1kl1A1 PHE 251 HZ -0.14 -0.02 -0.02 -0.04 7.32 7.10 1kl1A1 PRO 252 HA -1.61 0.05 0.33 -0.51 4.44 2.70 1kl1A1 PRO 252 HB2 -0.45 0.04 0.12 -0.04 2.28 1.95 1kl1A1 PRO 252 HB3 -0.99 -0.05 0.05 -0.04 2.02 0.98 1kl1A1 PRO 252 HG2 -0.16 0.09 -0.04 -0.04 2.03 1.88 1kl1A1 PRO 252 HG3 -0.21 -0.03 0.01 -0.04 2.03 1.76 1kl1A1 PRO 252 HD2 -0.04 0.14 0.44 -0.04 3.68 4.18 1kl1A1 PRO 252 HD3 -0.17 0.03 -0.31 -0.04 3.65 3.16 1kl1A1 GLY 253 H -0.05 0.32 -0.38 -0.55 8.43 7.78 1kl1A1 GLY 253 HA2 0.01 -0.04 0.29 -0.51 4.01 3.76 1kl1A1 GLY 253 HA3 0.02 0.17 0.34 -0.51 4.01 4.02 1kl1A1 ILE 254 H -0.12 0.31 0.10 -0.55 8.25 7.99 1kl1A1 ILE 254 HA -0.28 0.24 1.08 -0.75 4.18 4.47 1kl1A1 ILE 254 HB -0.23 -0.13 0.08 -0.04 1.89 1.57 1kl1A1 ILE 254 HG12 -0.12 0.16 -0.03 -0.04 1.49 1.46 1kl1A1 ILE 254 HG13 -0.10 0.05 -0.08 -0.04 1.21 1.04 1kl1A1 ILE 254 HG23 -0.63 0.02 -0.18 -0.04 0.93 0.10 1kl1A1 ILE 254 HD13 -0.12 -0.06 -0.09 -0.04 0.88 0.57 1kl1A1 GLN 255 H 0.01 0.53 0.14 -0.55 8.47 8.61 1kl1A1 GLN 255 HA 0.05 0.15 0.95 -0.75 4.36 4.75 1kl1A1 GLN 255 HB2 0.00 0.18 -0.04 -0.04 2.15 2.25 1kl1A1 GLN 255 HB3 -0.03 -0.13 0.01 -0.04 2.02 1.83 1kl1A1 GLN 255 HG2 -0.08 0.01 -0.07 -0.04 2.40 2.21 1kl1A1 GLN 255 HG3 -0.11 -0.02 -0.21 -0.04 2.39 2.01 1kl1A1 GLN 255 HE21 -0.57 0.40 -0.08 -0.04 6.97 6.69 1kl1A1 GLN 255 HE22 -0.39 0.11 -0.15 -0.04 7.69 7.22 1kl1A1 GLY 256 H 0.20 0.08 -0.06 -0.55 8.43 8.10 1kl1A1 GLY 256 HA2 0.49 0.21 0.79 -0.51 4.01 4.98 1kl1A1 GLY 256 HA3 0.24 -0.04 0.35 -0.51 4.01 4.06 1kl1A1 GLY 257 H 0.25 0.10 0.14 -0.55 8.43 8.38 1kl1A1 GLY 257 HA2 -0.04 0.06 0.41 -0.51 4.01 3.93 1kl1A1 GLY 257 HA3 -0.06 -0.00 0.34 -0.51 4.01 3.78 1kl1A1 PRO 258 HA 0.08 0.12 0.51 -0.51 4.44 4.65 1kl1A1 PRO 258 HB2 -0.05 -0.03 -0.13 -0.04 2.28 2.03 1kl1A1 PRO 258 HB3 -0.09 0.06 0.07 -0.04 2.02 2.02 1kl1A1 PRO 258 HG2 -0.09 -0.07 -0.04 -0.04 2.03 1.79 1kl1A1 PRO 258 HG3 -0.15 0.20 0.03 -0.04 2.03 2.07 1kl1A1 PRO 258 HD2 -0.12 -0.19 -0.01 -0.04 3.68 3.32 1kl1A1 PRO 258 HD3 -0.19 0.25 0.14 -0.04 3.65 3.81 1kl1A1 LEU 259 H 0.06 0.22 0.10 -0.55 8.37 8.21 1kl1A1 LEU 259 HA 0.01 0.20 0.70 -0.75 4.35 4.51 1kl1A1 LEU 259 HB2 -0.16 -0.00 0.26 -0.04 1.64 1.70 1kl1A1 LEU 259 HB3 -0.46 -0.04 0.15 -0.04 1.64 1.25 1kl1A1 LEU 259 HG 0.09 0.01 0.11 -0.04 1.64 1.80 1kl1A1 LEU 259 HD13 -0.14 0.02 0.08 -0.04 0.93 0.85 1kl1A1 LEU 259 HD23 -0.06 0.03 -0.08 -0.04 0.89 0.74 1kl1A1 MET 260 H 0.03 0.48 0.07 -0.55 8.47 8.50 1kl1A1 MET 260 HA -0.03 0.04 0.30 -0.75 4.52 4.08 1kl1A1 MET 260 HB2 0.02 0.22 0.10 -0.04 2.15 2.46 1kl1A1 MET 260 HB3 0.00 -0.08 0.03 -0.04 2.03 1.94 1kl1A1 MET 260 HG2 -0.05 0.21 0.02 -0.04 2.63 2.77 1kl1A1 MET 260 HG3 -0.03 -0.04 -0.03 -0.04 2.56 2.41 1kl1A1 MET 260 HE3 -0.01 -0.02 -0.02 -0.04 2.10 2.01 1kl1A1 HIS 261 H 0.39 0.18 -0.32 -0.55 8.41 8.11 1kl1A1 HIS 261 HA -0.04 0.07 0.47 -0.75 4.63 4.38 1kl1A1 HIS 261 HB2 -0.04 0.17 0.09 -0.04 3.26 3.44 1kl1A1 HIS 261 HB3 -0.04 -0.15 -0.01 -0.04 3.20 2.96 1kl1A1 HIS 261 HD2 -0.04 0.30 0.09 -0.04 6.97 7.28 1kl1A1 HIS 261 HE1 -0.09 0.07 0.07 -0.04 7.75 7.76 1kl1A1 VAL 262 H -0.66 0.14 -0.24 -0.55 8.24 6.93 1kl1A1 VAL 262 HA -0.17 0.06 0.47 -0.75 4.13 3.73 1kl1A1 VAL 262 HB -0.22 0.11 0.15 -0.04 2.12 2.12 1kl1A1 VAL 262 HG13 -0.10 0.02 -0.08 -0.04 0.97 0.77 1kl1A1 VAL 262 HG23 -0.47 -0.01 0.06 -0.04 0.95 0.49 1kl1A1 ILE 263 H -0.12 0.49 -0.12 -0.55 8.25 7.95 1kl1A1 ILE 263 HA -0.09 0.07 0.37 -0.75 4.18 3.78 1kl1A1 ILE 263 HB -0.04 0.04 0.08 -0.04 1.89 1.92 1kl1A1 ILE 263 HG12 -0.02 0.21 -0.04 -0.04 1.49 1.60 1kl1A1 ILE 263 HG13 -0.05 0.01 -0.02 -0.04 1.21 1.10 1kl1A1 ILE 263 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.72 1kl1A1 ILE 263 HD13 -0.02 -0.04 -0.20 -0.04 0.88 0.58 1kl1A1 ALA 264 H -0.05 0.51 -0.26 -0.55 8.40 8.06 1kl1A1 ALA 264 HA -0.05 0.00 0.43 -0.75 4.34 3.97 1kl1A1 ALA 264 HB3 -0.02 0.05 0.09 -0.04 1.41 1.49 1kl1A1 ALA 265 H -0.08 0.46 -0.29 -0.55 8.40 7.94 1kl1A1 ALA 265 HA -0.08 -0.03 0.54 -0.75 4.34 4.01 1kl1A1 ALA 265 HB3 -0.07 0.01 0.13 -0.04 1.41 1.44 1kl1A1 LYS 266 H -0.19 0.56 -0.19 -0.55 8.42 8.04 1kl1A1 LYS 266 HA -0.45 0.02 0.41 -0.75 4.32 3.55 1kl1A1 LYS 266 HB2 -0.28 0.14 0.17 -0.04 1.87 1.86 1kl1A1 LYS 266 HB3 -0.80 -0.05 -0.05 -0.04 1.79 0.85 1kl1A1 LYS 266 HG2 -0.13 -0.07 -0.10 -0.04 1.46 1.12 1kl1A1 LYS 266 HG3 -0.14 0.11 -0.10 -0.04 1.46 1.30 1kl1A1 LYS 266 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.60 1kl1A1 LYS 266 HD3 0.05 -0.03 -0.06 -0.04 1.68 1.60 1kl1A1 LYS 266 HE2 0.03 -0.18 -0.23 -0.04 2.99 2.57 1kl1A1 LYS 266 HE3 -0.03 -0.07 -0.22 -0.04 2.99 2.63 1kl1A1 ALA 267 H -0.25 0.58 -0.08 -0.55 8.40 8.11 1kl1A1 ALA 267 HA -0.19 0.01 0.35 -0.75 4.34 3.75 1kl1A1 ALA 267 HB3 -0.05 0.03 0.06 -0.04 1.41 1.41 1kl1A1 VAL 268 H -0.14 0.49 -0.24 -0.55 8.24 7.80 1kl1A1 VAL 268 HA -0.05 -0.00 0.40 -0.75 4.13 3.72 1kl1A1 VAL 268 HB -0.08 0.15 0.16 -0.04 2.12 2.30 1kl1A1 VAL 268 HG13 -0.03 -0.04 -0.22 -0.04 0.97 0.64 1kl1A1 VAL 268 HG23 -0.04 0.07 0.01 -0.04 0.95 0.94 1kl1A1 ALA 269 H -0.19 0.63 -0.05 -0.55 8.40 8.23 1kl1A1 ALA 269 HA -0.05 -0.02 0.42 -0.75 4.34 3.93 1kl1A1 ALA 269 HB3 -0.10 0.04 0.08 -0.04 1.41 1.40 1kl1A1 PHE 270 H -0.24 0.58 -0.23 -0.55 8.34 7.90 1kl1A1 PHE 270 HA -0.13 0.05 0.44 -0.75 4.62 4.23 1kl1A1 PHE 270 HB2 -0.03 0.06 0.08 -0.04 3.15 3.21 1kl1A1 PHE 270 HB3 -0.05 -0.02 -0.12 -0.04 3.06 2.82 1kl1A1 PHE 270 HD2 -0.02 0.02 -0.11 -0.04 7.28 7.13 1kl1A1 PHE 270 HE2 0.02 -0.05 -0.13 -0.04 7.38 7.18 1kl1A1 PHE 270 HZ 0.02 -0.05 -0.15 -0.04 7.32 7.10 1kl1A1 GLY 271 H 0.03 0.56 -0.12 -0.55 8.43 8.36 1kl1A1 GLY 271 HA2 0.01 0.01 0.38 -0.51 4.01 3.90 1kl1A1 GLY 271 HA3 0.00 0.01 0.31 -0.51 4.01 3.82 1kl1A1 GLU 272 H -0.03 0.51 -0.15 -0.55 8.60 8.39 1kl1A1 GLU 272 HA 0.00 -0.05 0.48 -0.75 4.29 3.96 1kl1A1 GLU 272 HB2 -0.05 0.21 0.20 -0.04 2.09 2.41 1kl1A1 GLU 272 HB3 0.02 -0.05 0.07 -0.04 1.99 1.99 1kl1A1 GLU 272 HG2 0.00 -0.08 0.05 -0.04 2.34 2.27 1kl1A1 GLU 272 HG3 -0.02 0.15 0.07 -0.04 2.34 2.50 1kl1A1 ALA 273 H -0.19 0.49 -0.17 -0.55 8.40 7.98 1kl1A1 ALA 273 HA -0.99 -0.03 0.33 -0.75 4.34 2.90 1kl1A1 ALA 273 HB3 -0.58 0.02 0.09 -0.04 1.41 0.90 1kl1A1 LEU 274 H -0.08 0.35 -0.33 -0.55 8.37 7.76 1kl1A1 LEU 274 HA -0.06 0.11 0.54 -0.75 4.35 4.19 1kl1A1 LEU 274 HB2 -0.02 0.11 0.13 -0.04 1.64 1.82 1kl1A1 LEU 274 HB3 -0.02 -0.11 0.08 -0.04 1.64 1.55 1kl1A1 LEU 274 HG -0.08 0.15 0.01 -0.04 1.64 1.68 1kl1A1 LEU 274 HD13 -0.01 -0.05 -0.02 -0.04 0.93 0.81 1kl1A1 LEU 274 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.69 1kl1A1 GLN 275 H 0.02 0.40 -0.34 -0.55 8.47 8.00 1kl1A1 GLN 275 HA 0.03 0.07 0.61 -0.75 4.36 4.32 1kl1A1 GLN 275 HB2 0.08 0.14 0.15 -0.04 2.15 2.48 1kl1A1 GLN 275 HB3 0.05 -0.21 0.11 -0.04 2.02 1.93 1kl1A1 GLN 275 HG2 0.02 0.26 0.08 -0.04 2.40 2.71 1kl1A1 GLN 275 HG3 0.03 -0.06 0.07 -0.04 2.39 2.39 1kl1A1 GLN 275 HE21 0.01 -0.04 0.01 -0.04 6.97 6.91 1kl1A1 GLN 275 HE22 0.01 0.09 -0.13 -0.04 7.69 7.63 1kl1A1 ASP 276 H 0.05 0.13 0.21 -0.55 8.40 8.24 1kl1A1 ASP 276 HA 0.06 0.17 0.35 -0.75 4.63 4.47 1kl1A1 ASP 276 HB2 0.04 -0.05 0.16 -0.04 2.71 2.82 1kl1A1 ASP 276 HB3 0.04 0.01 0.04 -0.04 2.70 2.75 1kl1A1 ASP 277 H 0.07 0.09 -0.11 -0.55 8.40 7.91 1kl1A1 ASP 277 HA 0.07 0.06 0.47 -0.75 4.63 4.47 1kl1A1 ASP 277 HB2 0.07 0.04 0.09 -0.04 2.71 2.86 1kl1A1 ASP 277 HB3 0.05 -0.01 0.11 -0.04 2.70 2.81 1kl1A1 PHE 278 H 0.22 0.30 -0.31 -0.55 8.34 8.01 1kl1A1 PHE 278 HA 0.14 0.02 0.56 -0.75 4.62 4.58 1kl1A1 PHE 278 HB2 0.04 0.07 0.03 -0.04 3.15 3.26 1kl1A1 PHE 278 HB3 0.05 0.32 0.11 -0.04 3.06 3.50 1kl1A1 PHE 278 HD2 0.04 0.05 -0.15 -0.04 7.28 7.18 1kl1A1 PHE 278 HE2 0.09 0.07 -0.05 -0.04 7.38 7.45 1kl1A1 PHE 278 HZ 0.15 0.01 0.06 -0.04 7.32 7.50 1kl1A1 LYS 279 H 0.18 0.33 -0.14 -0.55 8.42 8.23 1kl1A1 LYS 279 HA 0.06 0.06 0.54 -0.75 4.32 4.22 1kl1A1 LYS 279 HB2 0.07 0.09 0.22 -0.04 1.87 2.22 1kl1A1 LYS 279 HB3 0.05 -0.03 0.08 -0.04 1.79 1.85 1kl1A1 LYS 279 HG2 0.06 -0.03 0.07 -0.04 1.46 1.52 1kl1A1 LYS 279 HG3 0.11 0.00 0.13 -0.04 1.46 1.66 1kl1A1 LYS 279 HD2 0.24 -0.06 -0.01 -0.04 1.69 1.82 1kl1A1 LYS 279 HD3 0.10 -0.10 -0.09 -0.04 1.68 1.55 1kl1A1 LYS 279 HE2 0.04 0.03 -0.11 -0.04 2.99 2.92 1kl1A1 LYS 279 HE3 0.04 -0.09 0.01 -0.04 2.99 2.91 1kl1A1 ALA 280 H 0.05 0.38 -0.10 -0.55 8.40 8.18 1kl1A1 ALA 280 HA -0.00 0.02 0.44 -0.75 4.34 4.04 1kl1A1 ALA 280 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 1kl1A1 TYR 281 H 0.06 0.56 -0.12 -0.55 8.29 8.25 1kl1A1 TYR 281 HA -0.07 0.02 0.47 -0.75 4.56 4.22 1kl1A1 TYR 281 HB2 -0.08 0.00 0.12 -0.04 3.06 3.06 1kl1A1 TYR 281 HB3 -0.32 0.12 0.26 -0.04 2.98 2.99 1kl1A1 TYR 281 HD2 -0.58 0.07 -0.05 -0.04 7.15 6.55 1kl1A1 TYR 281 HE2 -0.07 0.03 -0.08 -0.04 6.85 6.69 1kl1A1 ALA 282 H -0.35 0.73 -0.09 -0.55 8.40 8.14 1kl1A1 ALA 282 HA -0.65 -0.05 0.40 -0.75 4.34 3.28 1kl1A1 ALA 282 HB3 -0.26 0.03 0.05 -0.04 1.41 1.19 1kl1A1 LYS 283 H -0.12 0.55 -0.19 -0.55 8.42 8.10 1kl1A1 LYS 283 HA -0.06 0.01 0.55 -0.75 4.32 4.07 1kl1A1 LYS 283 HB2 -0.03 0.11 0.14 -0.04 1.87 2.05 1kl1A1 LYS 283 HB3 -0.04 0.11 0.13 -0.04 1.79 1.95 1kl1A1 LYS 283 HG2 -0.02 -0.08 -0.10 -0.04 1.46 1.22 1kl1A1 LYS 283 HG3 -0.02 -0.01 0.08 -0.04 1.46 1.47 1kl1A1 LYS 283 HD2 -0.00 0.04 0.01 -0.04 1.69 1.70 1kl1A1 LYS 283 HD3 -0.01 0.00 -0.00 -0.04 1.68 1.63 1kl1A1 LYS 283 HE2 -0.00 -0.00 0.01 -0.04 2.99 2.95 1kl1A1 LYS 283 HE3 0.00 -0.01 0.00 -0.04 2.99 2.94 1kl1A1 ARG 284 H -0.12 0.56 -0.15 -0.55 8.46 8.20 1kl1A1 ARG 284 HA -0.04 -0.06 0.46 -0.75 4.34 3.94 1kl1A1 ARG 284 HB2 -0.07 0.19 0.19 -0.04 1.90 2.17 1kl1A1 ARG 284 HB3 -0.01 -0.04 0.07 -0.04 1.80 1.78 1kl1A1 ARG 284 HG2 -0.00 -0.12 0.05 -0.04 1.67 1.55 1kl1A1 ARG 284 HG3 -0.01 0.24 0.09 -0.04 1.67 1.95 1kl1A1 ARG 284 HD2 0.04 -0.03 0.02 -0.04 3.22 3.21 1kl1A1 ARG 284 HD3 0.03 -0.06 0.00 -0.04 3.22 3.15 1kl1A1 VAL 285 H -0.31 0.48 -0.22 -0.55 8.24 7.63 1kl1A1 VAL 285 HA -0.12 0.04 0.38 -0.75 4.13 3.68 1kl1A1 VAL 285 HB -0.28 0.21 0.18 -0.04 2.12 2.19 1kl1A1 VAL 285 HG13 -0.03 -0.05 -0.16 -0.04 0.97 0.68 1kl1A1 VAL 285 HG23 -0.69 0.07 -0.00 -0.04 0.95 0.29 1kl1A1 VAL 286 H -0.09 0.53 -0.10 -0.55 8.24 8.04 1kl1A1 VAL 286 HA 0.01 0.15 0.39 -0.75 4.13 3.92 1kl1A1 VAL 286 HB -0.02 0.10 0.15 -0.04 2.12 2.30 1kl1A1 VAL 286 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 1kl1A1 VAL 286 HG23 0.02 -0.01 -0.06 -0.04 0.95 0.86 1kl1A1 ASP 287 H -0.03 0.76 -0.05 -0.55 8.40 8.52 1kl1A1 ASP 287 HA -0.01 0.01 0.43 -0.75 4.63 4.32 1kl1A1 ASP 287 HB2 -0.02 0.08 0.18 -0.04 2.71 2.91 1kl1A1 ASP 287 HB3 -0.00 -0.10 -0.00 -0.04 2.70 2.55 1kl1A1 ASN 288 H -0.01 0.69 -0.25 -0.55 8.53 8.41 1kl1A1 ASN 288 HA 0.02 -0.08 0.37 -0.75 4.76 4.32 1kl1A1 ASN 288 HB2 0.00 0.22 0.18 -0.04 2.88 3.24 1kl1A1 ASN 288 HB3 0.04 -0.10 -0.08 -0.04 2.79 2.61 1kl1A1 ASN 288 HD21 0.08 0.30 -0.01 -0.04 7.03 7.36 1kl1A1 ASN 288 HD22 0.06 -0.05 -0.10 -0.04 7.74 7.60 1kl1A1 ALA 289 H -0.00 0.54 -0.19 -0.55 8.40 8.20 1kl1A1 ALA 289 HA -0.00 -0.03 0.37 -0.75 4.34 3.92 1kl1A1 ALA 289 HB3 -0.00 0.03 0.03 -0.04 1.41 1.43 1kl1A1 LYS 290 H -0.00 0.63 -0.15 -0.55 8.42 8.34 1kl1A1 LYS 290 HA -0.00 0.01 0.46 -0.75 4.32 4.04 1kl1A1 LYS 290 HB2 -0.00 0.16 0.19 -0.04 1.87 2.18 1kl1A1 LYS 290 HB3 0.00 -0.06 -0.09 -0.04 1.79 1.61 1kl1A1 LYS 290 HG2 -0.00 -0.06 0.05 -0.04 1.46 1.41 1kl1A1 LYS 290 HG3 -0.00 -0.03 0.13 -0.04 1.46 1.51 1kl1A1 LYS 290 HD2 -0.00 0.02 -0.05 -0.04 1.69 1.61 1kl1A1 LYS 290 HD3 -0.00 -0.03 0.05 -0.04 1.68 1.66 1kl1A1 LYS 290 HE2 -0.01 0.13 -0.14 -0.04 2.99 2.93 1kl1A1 LYS 290 HE3 -0.00 -0.16 -0.04 -0.04 2.99 2.74 1kl1A1 ARG 291 H 0.01 0.58 -0.15 -0.55 8.46 8.34 1kl1A1 ARG 291 HA 0.01 0.02 0.47 -0.75 4.34 4.08 1kl1A1 ARG 291 HB2 0.01 0.06 0.12 -0.04 1.90 2.04 1kl1A1 ARG 291 HB3 0.02 0.08 0.16 -0.04 1.80 2.01 1kl1A1 ARG 291 HG2 0.01 -0.04 0.04 -0.04 1.67 1.64 1kl1A1 ARG 291 HG3 0.02 -0.02 -0.27 -0.04 1.67 1.35 1kl1A1 ARG 291 HD2 0.01 -0.01 0.06 -0.04 3.22 3.24 1kl1A1 ARG 291 HD3 0.01 -0.00 0.02 -0.04 3.22 3.20 1kl1A1 LEU 292 H 0.01 0.76 -0.12 -0.55 8.37 8.47 1kl1A1 LEU 292 HA 0.02 0.01 0.33 -0.75 4.35 3.96 1kl1A1 LEU 292 HB2 0.02 0.04 0.07 -0.04 1.64 1.73 1kl1A1 LEU 292 HB3 0.01 0.09 0.07 -0.04 1.64 1.76 1kl1A1 LEU 292 HG -0.01 -0.03 -0.27 -0.04 1.64 1.29 1kl1A1 LEU 292 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.87 1kl1A1 LEU 292 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.69 1kl1A1 ALA 293 H 0.00 0.60 -0.31 -0.55 8.40 8.14 1kl1A1 ALA 293 HA 0.00 -0.02 0.33 -0.75 4.34 3.90 1kl1A1 ALA 293 HB3 -0.00 0.04 0.07 -0.04 1.41 1.48 1kl1A1 SER 294 H 0.01 0.62 -0.10 -0.55 8.46 8.45 1kl1A1 SER 294 HA 0.02 0.01 0.43 -0.75 4.49 4.21 1kl1A1 SER 294 HB2 0.01 0.06 0.16 -0.04 3.95 4.14 1kl1A1 SER 294 HB3 0.01 0.08 0.17 -0.04 3.93 4.16 1kl1A1 ALA 295 H 0.03 0.68 -0.17 -0.55 8.40 8.39 1kl1A1 ALA 295 HA 0.03 0.00 0.43 -0.75 4.34 4.05 1kl1A1 ALA 295 HB3 0.03 0.01 0.05 -0.04 1.41 1.46 1kl1A1 LEU 296 H 0.05 0.59 -0.23 -0.55 8.37 8.24 1kl1A1 LEU 296 HA 0.23 0.03 0.44 -0.75 4.35 4.29 1kl1A1 LEU 296 HB2 0.05 0.13 0.10 -0.04 1.64 1.88 1kl1A1 LEU 296 HB3 0.12 -0.09 -0.10 -0.04 1.64 1.53 1kl1A1 LEU 296 HG 0.02 0.07 0.00 -0.04 1.64 1.69 1kl1A1 LEU 296 HD13 -0.09 -0.03 -0.17 -0.04 0.93 0.60 1kl1A1 LEU 296 HD23 -0.16 -0.01 -0.05 -0.04 0.89 0.64 1kl1A1 GLN 297 H 0.07 0.57 -0.14 -0.55 8.47 8.44 1kl1A1 GLN 297 HA 0.09 0.23 0.53 -0.75 4.36 4.46 1kl1A1 GLN 297 HB2 0.04 0.09 0.19 -0.04 2.15 2.42 1kl1A1 GLN 297 HB3 0.03 -0.06 0.06 -0.04 2.02 2.01 1kl1A1 GLN 297 HG2 0.06 0.04 0.07 -0.04 2.40 2.53 1kl1A1 GLN 297 HG3 0.06 0.06 0.02 -0.04 2.39 2.48 1kl1A1 GLN 297 HE21 0.02 0.30 -0.02 -0.04 6.97 7.23 1kl1A1 GLN 297 HE22 0.03 -0.16 -0.02 -0.04 7.69 7.50 1kl1A1 ASN 298 H 0.05 0.50 -0.24 -0.55 8.53 8.29 1kl1A1 ASN 298 HA 0.01 -0.01 0.40 -0.75 4.76 4.40 1kl1A1 ASN 298 HB2 0.02 0.02 0.12 -0.04 2.88 2.99 1kl1A1 ASN 298 HB3 0.03 0.22 0.14 -0.04 2.79 3.14 1kl1A1 ASN 298 HD21 0.00 -0.06 0.02 -0.04 7.03 6.95 1kl1A1 ASN 298 HD22 0.00 -0.00 0.05 -0.04 7.74 7.76 1kl1A1 GLU 299 H 0.07 0.31 -0.36 -0.55 8.60 8.08 1kl1A1 GLU 299 HA -0.04 0.04 0.56 -0.75 4.29 4.10 1kl1A1 GLU 299 HB2 0.21 0.12 0.08 -0.04 2.09 2.46 1kl1A1 GLU 299 HB3 -0.05 -0.08 0.07 -0.04 1.99 1.89 1kl1A1 GLU 299 HG2 0.10 0.24 -0.02 -0.04 2.34 2.62 1kl1A1 GLU 299 HG3 0.19 0.07 -0.15 -0.04 2.34 2.42 1kl1A1 GLY 300 H -0.05 0.38 -0.45 -0.55 8.43 7.77 1kl1A1 GLY 300 HA2 -0.09 0.01 0.24 -0.51 4.01 3.67 1kl1A1 GLY 300 HA3 -0.21 0.10 0.70 -0.51 4.01 4.09 1kl1A1 PHE 301 H 0.03 0.47 0.06 -0.55 8.34 8.34 1kl1A1 PHE 301 HA 0.01 0.11 0.69 -0.75 4.62 4.67 1kl1A1 PHE 301 HB2 0.00 0.00 -0.23 -0.04 3.15 2.89 1kl1A1 PHE 301 HB3 0.00 -0.03 -0.18 -0.04 3.06 2.81 1kl1A1 PHE 301 HD2 0.00 0.05 -0.04 -0.04 7.28 7.25 1kl1A1 PHE 301 HE2 0.01 -0.01 -0.15 -0.04 7.38 7.19 1kl1A1 PHE 301 HZ 0.01 0.06 -0.21 -0.04 7.32 7.14 1kl1A1 THR 302 H 0.17 0.20 0.20 -0.55 8.28 8.30 1kl1A1 THR 302 HA 0.07 0.15 0.78 -0.75 4.39 4.64 1kl1A1 THR 302 HB 0.08 0.08 0.23 -0.04 4.32 4.67 1kl1A1 THR 302 HG23 0.07 -0.02 -0.07 -0.04 1.22 1.15 1kl1A1 LEU 303 H 0.06 0.21 0.16 -0.55 8.37 8.25 1kl1A1 LEU 303 HA 0.02 0.19 1.05 -0.75 4.35 4.86 1kl1A1 LEU 303 HB2 0.03 -0.08 -0.04 -0.04 1.64 1.51 1kl1A1 LEU 303 HB3 0.01 0.08 -0.00 -0.04 1.64 1.69 1kl1A1 LEU 303 HG 0.06 0.08 -0.21 -0.04 1.64 1.52 1kl1A1 LEU 303 HD13 0.01 0.04 -0.10 -0.04 0.93 0.85 1kl1A1 LEU 303 HD23 0.01 -0.00 -0.28 -0.04 0.89 0.57 1kl1A1 VAL 304 H -0.01 0.77 0.38 -0.55 8.24 8.83 1kl1A1 VAL 304 HA 0.07 0.03 0.49 -0.75 4.13 3.97 1kl1A1 VAL 304 HB -0.06 -0.02 0.22 -0.04 2.12 2.21 1kl1A1 VAL 304 HG13 -0.24 0.01 -0.02 -0.04 0.97 0.68 1kl1A1 VAL 304 HG23 -0.16 0.01 -0.01 -0.04 0.95 0.74 1kl1A1 SER 305 H 0.75 0.15 0.15 -0.55 8.46 8.96 1kl1A1 SER 305 HA 0.12 0.24 0.31 -0.75 4.49 4.40 1kl1A1 SER 305 HB2 0.03 -0.03 0.10 -0.04 3.95 4.01 1kl1A1 SER 305 HB3 0.07 -0.07 -0.16 -0.04 3.93 3.73 1kl1A1 GLY 306 H 0.08 0.44 -0.52 -0.55 8.43 7.88 1kl1A1 GLY 306 HA2 0.03 -0.00 0.31 -0.51 4.01 3.84 1kl1A1 GLY 306 HA3 0.02 0.04 0.46 -0.51 4.01 4.02 1kl1A1 GLY 307 H 0.01 0.38 -0.23 -0.55 8.43 8.04 1kl1A1 GLY 307 HA2 -0.00 -0.02 0.23 -0.51 4.01 3.71 1kl1A1 GLY 307 HA3 -0.00 0.13 0.65 -0.51 4.01 4.28 1kl1A1 THR 308 H -0.02 0.29 0.17 -0.55 8.28 8.17 1kl1A1 THR 308 HA -0.06 0.22 0.80 -0.75 4.39 4.59 1kl1A1 THR 308 HB -0.05 0.09 -0.12 -0.04 4.32 4.19 1kl1A1 THR 308 HG23 -0.02 -0.02 -0.28 -0.04 1.22 0.86 1kl1A1 ASP 309 H -0.05 0.77 0.44 -0.55 8.40 9.01 1kl1A1 ASP 309 HA -0.01 0.22 0.93 -0.75 4.63 5.02 1kl1A1 ASP 309 HB2 -0.01 -0.09 0.08 -0.04 2.71 2.65 1kl1A1 ASP 309 HB3 -0.01 0.05 0.22 -0.04 2.70 2.92 1kl1A1 ASN 310 H -0.00 0.12 0.01 -0.55 8.53 8.12 1kl1A1 ASN 310 HA 0.11 0.30 0.90 -0.75 4.76 5.31 1kl1A1 ASN 310 HB2 0.35 -0.14 0.15 -0.04 2.88 3.20 1kl1A1 ASN 310 HB3 0.21 0.08 -0.24 -0.04 2.79 2.81 1kl1A1 ASN 310 HD21 0.03 0.37 0.11 -0.04 7.03 7.50 1kl1A1 ASN 310 HD22 0.18 -0.02 -0.18 -0.04 7.74 7.68 1kl1A1 HIS 311 H 0.52 0.10 0.12 -0.55 8.41 8.61 1kl1A1 HIS 311 HA -0.01 0.25 0.63 -0.75 4.63 4.74 1kl1A1 HIS 311 HB2 0.01 -0.12 0.15 -0.04 3.26 3.26 1kl1A1 HIS 311 HB3 0.01 0.03 0.06 -0.04 3.20 3.26 1kl1A1 HIS 311 HD2 0.09 0.10 0.03 -0.04 6.97 7.14 1kl1A1 HIS 311 HE1 0.13 -0.06 -0.13 -0.04 7.75 7.64 1kl1A1 LEU 312 H -0.31 0.04 -0.09 -0.55 8.37 7.47 1kl1A1 LEU 312 HA -0.18 0.34 1.23 -0.75 4.35 4.99 1kl1A1 LEU 312 HB2 -0.22 0.13 0.08 -0.04 1.64 1.59 1kl1A1 LEU 312 HB3 -0.73 -0.09 -0.15 -0.04 1.64 0.63 1kl1A1 LEU 312 HG -0.41 -0.08 -0.15 -0.04 1.64 0.97 1kl1A1 LEU 312 HD13 -0.14 -0.01 -0.59 -0.04 0.93 0.14 1kl1A1 LEU 312 HD23 -0.24 -0.04 -0.17 -0.04 0.89 0.40 1kl1A1 LEU 313 H -0.10 0.70 0.43 -0.55 8.37 8.85 1kl1A1 LEU 313 HA -0.08 0.17 0.75 -0.75 4.35 4.43 1kl1A1 LEU 313 HB2 -0.05 0.02 0.02 -0.04 1.64 1.59 1kl1A1 LEU 313 HB3 -0.05 0.07 -0.29 -0.04 1.64 1.33 1kl1A1 LEU 313 HG -0.06 0.04 -0.02 -0.04 1.64 1.55 1kl1A1 LEU 313 HD13 -0.06 -0.00 -0.30 -0.04 0.93 0.52 1kl1A1 LEU 313 HD23 -0.03 0.01 -0.20 -0.04 0.89 0.63 1kl1A1 LEU 314 H -0.05 0.28 0.22 -0.55 8.37 8.27 1kl1A1 LEU 314 HA -0.06 0.30 1.04 -0.75 4.35 4.88 1kl1A1 LEU 314 HB2 -0.06 -0.01 0.17 -0.04 1.64 1.70 1kl1A1 LEU 314 HB3 -0.06 -0.02 -0.10 -0.04 1.64 1.41 1kl1A1 LEU 314 HG -0.06 -0.05 -0.11 -0.04 1.64 1.38 1kl1A1 LEU 314 HD13 -0.05 0.00 -0.01 -0.04 0.93 0.83 1kl1A1 LEU 314 HD23 -0.05 0.02 -0.21 -0.04 0.89 0.60 1kl1A1 VAL 315 H -0.07 0.58 0.27 -0.55 8.24 8.47 1kl1A1 VAL 315 HA -0.02 0.20 0.80 -0.75 4.13 4.36 1kl1A1 VAL 315 HB -0.11 -0.13 0.14 -0.04 2.12 1.97 1kl1A1 VAL 315 HG13 -0.12 0.02 -0.23 -0.04 0.97 0.60 1kl1A1 VAL 315 HG23 -0.19 0.02 -0.13 -0.04 0.95 0.61 1kl1A1 ASP 316 H 0.03 0.67 0.31 -0.55 8.40 8.86 1kl1A1 ASP 316 HA -0.00 0.10 0.79 -0.75 4.63 4.76 1kl1A1 ASP 316 HB2 -0.01 -0.03 0.04 -0.04 2.71 2.67 1kl1A1 ASP 316 HB3 0.04 0.06 0.11 -0.04 2.70 2.88 1kl1A1 LEU 317 H 0.02 0.69 0.34 -0.55 8.37 8.87 1kl1A1 LEU 317 HA 0.11 0.14 0.57 -0.75 4.35 4.41 1kl1A1 LEU 317 HB2 0.03 0.12 -0.09 -0.04 1.64 1.65 1kl1A1 LEU 317 HB3 0.06 -0.07 0.00 -0.04 1.64 1.59 1kl1A1 LEU 317 HG 0.00 0.02 -0.22 -0.04 1.64 1.40 1kl1A1 LEU 317 HD13 -0.00 -0.03 -0.43 -0.04 0.93 0.43 1kl1A1 LEU 317 HD23 0.05 0.01 -0.14 -0.04 0.89 0.78 1kl1A1 ARG 318 H 0.04 0.07 -0.22 -0.55 8.46 7.80 1kl1A1 ARG 318 HA 0.03 0.03 0.33 -0.75 4.34 3.98 1kl1A1 ARG 318 HB2 0.03 0.04 0.12 -0.04 1.90 2.06 1kl1A1 ARG 318 HB3 0.03 0.02 0.08 -0.04 1.80 1.89 1kl1A1 ARG 318 HG2 0.03 -0.01 0.07 -0.04 1.67 1.72 1kl1A1 ARG 318 HG3 0.02 -0.03 0.13 -0.04 1.67 1.75 1kl1A1 ARG 318 HD2 0.03 0.03 0.04 -0.04 3.22 3.28 1kl1A1 ARG 318 HD3 0.03 -0.04 0.07 -0.04 3.22 3.23 1kl1A1 PRO 319 HA 0.02 0.04 0.32 -0.51 4.44 4.31 1kl1A1 PRO 319 HB2 0.03 0.09 0.00 -0.04 2.28 2.36 1kl1A1 PRO 319 HB3 0.01 0.05 0.10 -0.04 2.02 2.13 1kl1A1 PRO 319 HG2 0.05 0.05 0.10 -0.04 2.03 2.19 1kl1A1 PRO 319 HG3 0.03 -0.00 0.07 -0.04 2.03 2.09 1kl1A1 PRO 319 HD2 0.06 0.29 -0.16 -0.04 3.68 3.83 1kl1A1 PRO 319 HD3 0.04 -0.02 0.07 -0.04 3.65 3.70 1kl1A1 GLN 320 H 0.06 0.33 -0.36 -0.55 8.47 7.96 1kl1A1 GLN 320 HA 0.01 0.16 0.81 -0.75 4.36 4.60 1kl1A1 GLN 320 HB2 0.10 0.00 0.05 -0.04 2.15 2.25 1kl1A1 GLN 320 HB3 0.06 0.03 0.10 -0.04 2.02 2.17 1kl1A1 GLN 320 HG2 0.10 -0.01 -0.10 -0.04 2.40 2.35 1kl1A1 GLN 320 HG3 -0.03 0.05 -0.05 -0.04 2.39 2.32 1kl1A1 GLN 320 HE21 -0.05 0.07 -0.03 -0.04 6.97 6.92 1kl1A1 GLN 320 HE22 -0.16 0.06 -0.13 -0.04 7.69 7.41 1kl1A1 GLN 321 H 0.03 0.62 -0.14 -0.55 8.47 8.43 1kl1A1 GLN 321 HA 0.02 -0.03 0.33 -0.75 4.36 3.93 1kl1A1 GLN 321 HB2 0.02 0.14 -0.18 -0.04 2.15 2.08 1kl1A1 GLN 321 HB3 0.02 -0.11 0.20 -0.04 2.02 2.08 1kl1A1 GLN 321 HG2 0.01 0.12 -0.09 -0.04 2.40 2.40 1kl1A1 GLN 321 HG3 0.01 -0.06 -0.03 -0.04 2.39 2.27 1kl1A1 GLN 321 HE21 0.01 -0.06 0.01 -0.04 6.97 6.89 1kl1A1 GLN 321 HE22 0.01 -0.02 0.02 -0.04 7.69 7.67 1kl1A1 LEU 322 H 0.04 0.36 -0.16 -0.55 8.37 8.06 1kl1A1 LEU 322 HA 0.03 0.18 0.97 -0.75 4.35 4.77 1kl1A1 LEU 322 HB2 0.05 -0.05 -0.10 -0.04 1.64 1.49 1kl1A1 LEU 322 HB3 0.03 -0.05 -0.02 -0.04 1.64 1.56 1kl1A1 LEU 322 HG 0.05 0.21 -0.33 -0.04 1.64 1.53 1kl1A1 LEU 322 HD13 0.08 0.04 -0.02 -0.04 0.93 0.99 1kl1A1 LEU 322 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 1kl1A1 THR 323 H 0.02 0.09 0.13 -0.55 8.28 7.98 1kl1A1 THR 323 HA 0.02 0.20 0.80 -0.75 4.39 4.65 1kl1A1 THR 323 HB 0.02 0.17 0.06 -0.04 4.32 4.53 1kl1A1 THR 323 HG23 0.02 0.02 -0.03 -0.04 1.22 1.19 1kl1A1 GLY 324 H 0.01 0.52 -0.09 -0.55 8.43 8.32 1kl1A1 GLY 324 HA2 -0.01 0.05 0.15 -0.51 4.01 3.70 1kl1A1 GLY 324 HA3 -0.01 0.17 0.33 -0.51 4.01 4.00 1kl1A1 LYS 325 H 0.01 0.39 -0.04 -0.55 8.42 8.23 1kl1A1 LYS 325 HA 0.01 0.04 0.44 -0.75 4.32 4.06 1kl1A1 LYS 325 HB2 0.03 0.15 0.19 -0.04 1.87 2.20 1kl1A1 LYS 325 HB3 0.02 -0.09 0.13 -0.04 1.79 1.81 1kl1A1 LYS 325 HG2 0.02 -0.02 -0.16 -0.04 1.46 1.27 1kl1A1 LYS 325 HG3 0.03 0.00 0.06 -0.04 1.46 1.51 1kl1A1 LYS 325 HD2 0.05 0.20 0.14 -0.04 1.69 2.04 1kl1A1 LYS 325 HD3 0.03 -0.06 0.04 -0.04 1.68 1.65 1kl1A1 LYS 325 HE2 0.04 0.01 0.03 -0.04 2.99 3.02 1kl1A1 LYS 325 HE3 0.03 -0.02 0.01 -0.04 2.99 2.97 1kl1A1 THR 326 H 0.02 0.07 -0.27 -0.55 8.28 7.55 1kl1A1 THR 326 HA 0.02 0.07 0.42 -0.75 4.39 4.14 1kl1A1 THR 326 HB 0.02 0.04 0.14 -0.04 4.32 4.48 1kl1A1 THR 326 HG23 0.02 0.03 -0.07 -0.04 1.22 1.16 1kl1A1 ALA 327 H 0.01 0.43 -0.18 -0.55 8.40 8.11 1kl1A1 ALA 327 HA 0.01 0.06 0.36 -0.75 4.34 4.02 1kl1A1 ALA 327 HB3 -0.00 0.01 -0.04 -0.04 1.41 1.34 1kl1A1 GLU 328 H 0.00 0.72 -0.13 -0.55 8.60 8.64 1kl1A1 GLU 328 HA -0.01 0.01 0.41 -0.75 4.29 3.95 1kl1A1 GLU 328 HB2 -0.01 -0.07 -0.04 -0.04 2.09 1.93 1kl1A1 GLU 328 HB3 0.00 0.10 0.15 -0.04 1.99 2.21 1kl1A1 GLU 328 HG2 0.01 0.02 -0.22 -0.04 2.34 2.11 1kl1A1 GLU 328 HG3 0.00 0.12 0.01 -0.04 2.34 2.43 1kl1A1 LYS 329 H 0.01 0.51 -0.17 -0.55 8.42 8.22 1kl1A1 LYS 329 HA 0.01 0.01 0.47 -0.75 4.32 4.05 1kl1A1 LYS 329 HB2 0.01 0.00 0.14 -0.04 1.87 1.98 1kl1A1 LYS 329 HB3 0.01 0.11 0.20 -0.04 1.79 2.07 1kl1A1 LYS 329 HG2 0.01 0.02 -0.21 -0.04 1.46 1.24 1kl1A1 LYS 329 HG3 0.01 -0.04 0.02 -0.04 1.46 1.42 1kl1A1 LYS 329 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.62 1kl1A1 LYS 329 HD3 0.01 0.01 0.00 -0.04 1.68 1.66 1kl1A1 LYS 329 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.92 1kl1A1 LYS 329 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 1kl1A1 VAL 330 H 0.01 0.54 -0.05 -0.55 8.24 8.19 1kl1A1 VAL 330 HA 0.01 0.03 0.47 -0.75 4.13 3.89 1kl1A1 VAL 330 HB 0.02 -0.01 0.10 -0.04 2.12 2.19 1kl1A1 VAL 330 HG13 0.02 0.03 -0.01 -0.04 0.97 0.97 1kl1A1 VAL 330 HG23 0.02 -0.00 -0.01 -0.04 0.95 0.92 1kl1A1 LEU 331 H 0.01 0.57 -0.16 -0.55 8.37 8.24 1kl1A1 LEU 331 HA 0.01 0.00 0.41 -0.75 4.35 4.02 1kl1A1 LEU 331 HB2 -0.00 0.06 0.14 -0.04 1.64 1.79 1kl1A1 LEU 331 HB3 0.00 -0.01 0.02 -0.04 1.64 1.62 1kl1A1 LEU 331 HG 0.00 0.04 0.01 -0.04 1.64 1.65 1kl1A1 LEU 331 HD13 -0.04 -0.03 -0.15 -0.04 0.93 0.67 1kl1A1 LEU 331 HD23 0.00 -0.01 -0.05 -0.04 0.89 0.79 1kl1A1 ASP 332 H 0.01 0.49 -0.21 -0.55 8.40 8.15 1kl1A1 ASP 332 HA 0.01 0.00 0.35 -0.75 4.63 4.24 1kl1A1 ASP 332 HB2 0.01 0.00 0.16 -0.04 2.71 2.84 1kl1A1 ASP 332 HB3 0.01 0.17 0.21 -0.04 2.70 3.05 1kl1A1 GLU 333 H 0.01 0.36 -0.31 -0.55 8.60 8.12 1kl1A1 GLU 333 HA 0.01 -0.01 0.37 -0.75 4.29 3.90 1kl1A1 GLU 333 HB2 0.01 0.20 0.14 -0.04 2.09 2.40 1kl1A1 GLU 333 HB3 0.01 -0.08 0.06 -0.04 1.99 1.94 1kl1A1 GLU 333 HG2 0.01 -0.07 0.03 -0.04 2.34 2.27 1kl1A1 GLU 333 HG3 0.01 0.26 0.10 -0.04 2.34 2.67 1kl1A1 VAL 334 H 0.01 0.37 -0.32 -0.55 8.24 7.75 1kl1A1 VAL 334 HA 0.02 0.17 0.93 -0.75 4.13 4.49 1kl1A1 VAL 334 HB 0.02 -0.08 0.02 -0.04 2.12 2.04 1kl1A1 VAL 334 HG13 0.02 0.04 -0.02 -0.04 0.97 0.96 1kl1A1 VAL 334 HG23 0.02 0.01 -0.07 -0.04 0.95 0.87 1kl1A1 GLY 335 H 0.01 0.37 -0.18 -0.55 8.43 8.09 1kl1A1 GLY 335 HA2 0.02 -0.00 0.25 -0.51 4.01 3.76 1kl1A1 GLY 335 HA3 0.02 0.20 0.75 -0.51 4.01 4.47 1kl1A1 ILE 336 H 0.02 0.51 -0.02 -0.55 8.25 8.20 1kl1A1 ILE 336 HA 0.02 0.23 0.99 -0.75 4.18 4.66 1kl1A1 ILE 336 HB 0.01 -0.01 0.03 -0.04 1.89 1.88 1kl1A1 ILE 336 HG12 0.04 0.02 -0.09 -0.04 1.49 1.43 1kl1A1 ILE 336 HG13 0.03 0.04 -0.37 -0.04 1.21 0.87 1kl1A1 ILE 336 HG23 0.01 -0.02 -0.23 -0.04 0.93 0.64 1kl1A1 ILE 336 HD13 0.02 -0.01 -0.11 -0.04 0.88 0.74 1kl1A1 THR 337 H 0.01 0.64 0.24 -0.55 8.28 8.63 1kl1A1 THR 337 HA 0.01 0.17 0.78 -0.75 4.39 4.58 1kl1A1 THR 337 HB 0.01 -0.23 0.22 -0.04 4.32 4.28 1kl1A1 THR 337 HG23 0.01 0.00 -0.06 -0.04 1.22 1.12 1kl1A1 VAL 338 H -0.00 0.29 0.19 -0.55 8.24 8.17 1kl1A1 VAL 338 HA -0.01 0.16 0.70 -0.75 4.13 4.22 1kl1A1 VAL 338 HB -0.03 0.13 0.12 -0.04 2.12 2.30 1kl1A1 VAL 338 HG13 -0.03 0.01 -0.27 -0.04 0.97 0.64 1kl1A1 VAL 338 HG23 -0.02 -0.01 -0.25 -0.04 0.95 0.62 1kl1A1 ASN 339 H -0.02 0.43 0.28 -0.55 8.53 8.68 1kl1A1 ASN 339 HA -0.01 0.20 0.86 -0.75 4.76 5.06 1kl1A1 ASN 339 HB2 -0.01 0.10 0.19 -0.04 2.88 3.13 1kl1A1 ASN 339 HB3 0.00 0.03 0.07 -0.04 2.79 2.85 1kl1A1 ASN 339 HD21 0.00 -0.09 -0.00 -0.04 7.03 6.89 1kl1A1 ASN 339 HD22 -0.01 0.43 -0.08 -0.04 7.74 8.03 1kl1A1 LYS 340 H -0.01 0.12 0.12 -0.55 8.42 8.09 1kl1A1 LYS 340 HA -0.02 0.24 0.73 -0.75 4.32 4.52 1kl1A1 LYS 340 HB2 -0.01 -0.01 -0.07 -0.04 1.87 1.73 1kl1A1 LYS 340 HB3 -0.00 0.05 -0.26 -0.04 1.79 1.53 1kl1A1 LYS 340 HG2 -0.01 -0.06 0.06 -0.04 1.46 1.41 1kl1A1 LYS 340 HG3 -0.03 0.00 -0.25 -0.04 1.46 1.14 1kl1A1 LYS 340 HD2 0.00 0.02 -0.35 -0.04 1.69 1.33 1kl1A1 LYS 340 HD3 0.01 -0.04 -0.08 -0.04 1.68 1.53 1kl1A1 LYS 340 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 1kl1A1 LYS 340 HE3 0.06 0.13 -0.01 -0.04 2.99 3.13 1kl1A1 ASN 341 H -0.03 0.48 0.10 -0.55 8.53 8.53 1kl1A1 ASN 341 HA -0.05 0.05 0.57 -0.75 4.76 4.57 1kl1A1 ASN 341 HB2 -0.04 0.03 -0.50 -0.04 2.88 2.33 1kl1A1 ASN 341 HB3 -0.04 -0.01 -0.23 -0.04 2.79 2.46 1kl1A1 ASN 341 HD21 -0.04 -0.10 -0.07 -0.04 7.03 6.77 1kl1A1 ASN 341 HD22 -0.04 0.57 -0.17 -0.04 7.74 8.05 1kl1A1 THR 342 H -0.06 0.12 0.09 -0.55 8.28 7.88 1kl1A1 THR 342 HA -0.04 -0.16 0.60 -0.75 4.39 4.04 1kl1A1 THR 342 HB -0.04 0.09 0.14 -0.04 4.32 4.47 1kl1A1 THR 342 HG23 -0.07 -0.01 0.02 -0.04 1.22 1.13 1kl1A1 ILE 343 H -0.04 -0.01 0.22 -0.55 8.25 7.87 1kl1A1 ILE 343 HA -0.09 0.22 0.75 -0.75 4.18 4.32 1kl1A1 ILE 343 HB -0.14 0.08 0.07 -0.04 1.89 1.86 1kl1A1 ILE 343 HG12 -0.02 -0.26 0.06 -0.04 1.49 1.23 1kl1A1 ILE 343 HG13 -0.03 0.14 -0.34 -0.04 1.21 0.94 1kl1A1 ILE 343 HG23 -0.05 -0.02 -0.18 -0.04 0.93 0.64 1kl1A1 ILE 343 HD13 -0.02 0.02 -0.00 -0.04 0.88 0.84 1kl1A1 PRO 344 HA -0.39 -0.01 0.40 -0.51 4.44 3.93 1kl1A1 PRO 344 HB2 -0.03 0.08 0.01 -0.04 2.28 2.29 1kl1A1 PRO 344 HB3 -0.61 -0.06 0.05 -0.04 2.02 1.36 1kl1A1 PRO 344 HG2 -0.22 0.04 0.09 -0.04 2.03 1.90 1kl1A1 PRO 344 HG3 -0.13 0.09 0.12 -0.04 2.03 2.07 1kl1A1 PRO 344 HD2 -0.36 0.08 0.18 -0.04 3.68 3.54 1kl1A1 PRO 344 HD3 -0.15 0.19 0.20 -0.04 3.65 3.84 1kl1A1 TYR 345 H -0.48 0.04 0.14 -0.55 8.29 7.45 1kl1A1 TYR 345 HA 0.06 -0.01 0.29 -0.75 4.56 4.14 1kl1A1 TYR 345 HB2 -0.00 0.20 0.03 -0.04 3.06 3.25 1kl1A1 TYR 345 HB3 0.03 -0.01 0.16 -0.04 2.98 3.12 1kl1A1 TYR 345 HD2 -0.00 0.08 -0.17 -0.04 7.15 7.01 1kl1A1 TYR 345 HE2 0.01 0.05 -0.15 -0.04 6.85 6.72 1kl1A1 ASP 346 H -0.01 0.17 -0.09 -0.55 8.40 7.93 1kl1A1 ASP 346 HA 0.03 0.08 0.34 -0.75 4.63 4.33 1kl1A1 ASP 346 HB2 -0.02 0.37 0.26 -0.04 2.71 3.28 1kl1A1 ASP 346 HB3 -0.00 0.05 0.16 -0.04 2.70 2.87 1kl1A1 PRO 347 HA 0.04 0.13 0.51 -0.51 4.44 4.61 1kl1A1 PRO 347 HB2 0.03 -0.00 0.03 -0.04 2.28 2.30 1kl1A1 PRO 347 HB3 0.04 0.06 0.12 -0.04 2.02 2.20 1kl1A1 PRO 347 HG2 0.03 -0.03 0.03 -0.04 2.03 2.01 1kl1A1 PRO 347 HG3 0.03 0.07 0.09 -0.04 2.03 2.18 1kl1A1 PRO 347 HD2 0.03 -0.05 0.24 -0.04 3.68 3.86 1kl1A1 PRO 347 HD3 0.04 0.29 0.25 -0.04 3.65 4.20 1kl1A1 GLU 348 H 0.02 0.00 -0.19 -0.55 8.60 7.88 1kl1A1 GLU 348 HA 0.03 0.21 0.79 -0.75 4.29 4.56 1kl1A1 GLU 348 HB2 0.02 -0.18 -0.08 -0.04 2.09 1.81 1kl1A1 GLU 348 HB3 0.03 -0.08 0.05 -0.04 1.99 1.95 1kl1A1 GLU 348 HG2 0.02 -0.02 -0.13 -0.04 2.34 2.16 1kl1A1 GLU 348 HG3 0.02 0.08 -0.27 -0.04 2.34 2.13 1kl1A1 SER 349 H 0.05 0.12 0.15 -0.55 8.46 8.23 1kl1A1 SER 349 HA 0.04 0.23 0.39 -0.75 4.49 4.39 1kl1A1 SER 349 HB2 0.14 0.09 0.12 -0.04 3.95 4.26 1kl1A1 SER 349 HB3 0.08 0.10 0.13 -0.04 3.93 4.19 1kl1A1 PRO 350 HA -0.10 0.06 0.29 -0.51 4.44 4.18 1kl1A1 PRO 350 HB2 -0.42 0.06 -0.01 -0.04 2.28 1.88 1kl1A1 PRO 350 HB3 -0.17 0.03 0.09 -0.04 2.02 1.92 1kl1A1 PRO 350 HG2 -0.20 0.06 0.04 -0.04 2.03 1.90 1kl1A1 PRO 350 HG3 -0.10 0.06 0.05 -0.04 2.03 2.00 1kl1A1 PRO 350 HD2 0.09 0.11 0.21 -0.04 3.68 4.04 1kl1A1 PRO 350 HD3 -0.01 0.21 0.19 -0.04 3.65 4.00 1kl1A1 PHE 351 H 0.17 0.05 -0.41 -0.55 8.34 7.59 1kl1A1 PHE 351 HA -0.01 0.19 0.64 -0.75 4.62 4.69 1kl1A1 PHE 351 HB2 -0.01 -0.03 -0.04 -0.04 3.15 3.02 1kl1A1 PHE 351 HB3 -0.01 0.05 0.07 -0.04 3.06 3.13 1kl1A1 PHE 351 HD2 -0.01 -0.01 -0.01 -0.04 7.28 7.21 1kl1A1 PHE 351 HE2 -0.02 0.01 -0.03 -0.04 7.38 7.31 1kl1A1 PHE 351 HZ -0.02 0.01 -0.04 -0.04 7.32 7.23 1kl1A1 VAL 352 H 0.07 0.31 -0.31 -0.55 8.24 7.76 1kl1A1 VAL 352 HA 0.06 0.19 0.91 -0.75 4.13 4.53 1kl1A1 VAL 352 HB 0.05 -0.12 0.15 -0.04 2.12 2.16 1kl1A1 VAL 352 HG13 0.03 0.04 -0.01 -0.04 0.97 0.98 1kl1A1 VAL 352 HG23 0.07 0.00 -0.11 -0.04 0.95 0.86 1kl1A1 THR 353 H 0.02 0.33 0.05 -0.55 8.28 8.14 1kl1A1 THR 353 HA -0.00 0.13 0.26 -0.75 4.39 4.03 1kl1A1 THR 353 HB -0.02 0.02 -0.16 -0.04 4.32 4.12 1kl1A1 THR 353 HG23 -0.04 -0.01 -0.48 -0.04 1.22 0.64 1kl1A1 SER 354 H -0.01 0.16 0.20 -0.55 8.46 8.26 1kl1A1 SER 354 HA 0.01 0.22 1.07 -0.75 4.49 5.04 1kl1A1 SER 354 HB2 0.00 0.03 0.17 -0.04 3.95 4.11 1kl1A1 SER 354 HB3 0.01 0.03 0.25 -0.04 3.93 4.19 1kl1A1 GLY 355 H -0.02 0.10 0.08 -0.55 8.43 8.05 1kl1A1 GLY 355 HA2 -0.02 0.23 0.93 -0.51 4.01 4.64 1kl1A1 GLY 355 HA3 -0.03 0.12 0.35 -0.51 4.01 3.93 1kl1A1 ILE 356 H -0.05 0.39 0.31 -0.55 8.25 8.35 1kl1A1 ILE 356 HA -0.04 0.22 1.09 -0.75 4.18 4.71 1kl1A1 ILE 356 HB -0.05 0.08 -0.05 -0.04 1.89 1.83 1kl1A1 ILE 356 HG12 -0.09 -0.04 -0.01 -0.04 1.49 1.31 1kl1A1 ILE 356 HG13 -0.10 -0.06 -0.05 -0.04 1.21 0.96 1kl1A1 ILE 356 HG23 -0.03 -0.03 -0.23 -0.04 0.93 0.60 1kl1A1 ILE 356 HD13 -0.13 0.02 -0.15 -0.04 0.88 0.58 1kl1A1 ARG 357 H -0.04 0.69 0.28 -0.55 8.46 8.84 1kl1A1 ARG 357 HA -0.06 0.25 1.06 -0.75 4.34 4.84 1kl1A1 ARG 357 HB2 -0.04 -0.01 0.01 -0.04 1.90 1.82 1kl1A1 ARG 357 HB3 -0.03 -0.07 0.14 -0.04 1.80 1.81 1kl1A1 ARG 357 HG2 -0.04 -0.04 -0.11 -0.04 1.67 1.44 1kl1A1 ARG 357 HG3 -0.07 0.07 0.05 -0.04 1.67 1.67 1kl1A1 ARG 357 HD2 -0.09 0.08 0.04 -0.04 3.22 3.22 1kl1A1 ARG 357 HD3 -0.05 0.00 -0.01 -0.04 3.22 3.12 1kl1A1 ILE 358 H -0.06 0.65 0.41 -0.55 8.25 8.71 1kl1A1 ILE 358 HA -0.03 0.34 0.98 -0.75 4.18 4.72 1kl1A1 ILE 358 HB -0.06 -0.04 0.04 -0.04 1.89 1.79 1kl1A1 ILE 358 HG12 -0.04 0.06 -0.05 -0.04 1.49 1.42 1kl1A1 ILE 358 HG13 -0.06 -0.06 -0.59 -0.04 1.21 0.46 1kl1A1 ILE 358 HG23 -0.03 0.00 -0.20 -0.04 0.93 0.66 1kl1A1 ILE 358 HD13 -0.10 -0.00 -0.17 -0.04 0.88 0.57 1kl1A1 GLY 359 H -0.01 0.61 0.22 -0.55 8.43 8.71 1kl1A1 GLY 359 HA2 -0.04 0.33 1.06 -0.51 4.01 4.85 1kl1A1 GLY 359 HA3 0.03 -0.09 0.34 -0.51 4.01 3.79 1kl1A1 THR 360 H 0.04 0.47 0.28 -0.55 8.28 8.53 1kl1A1 THR 360 HA 0.02 0.21 0.85 -0.75 4.39 4.72 1kl1A1 THR 360 HB 0.03 -0.01 0.07 -0.04 4.32 4.36 1kl1A1 THR 360 HG23 0.02 0.01 -0.28 -0.04 1.22 0.92 1kl1A1 ALA 361 H 0.08 0.14 -0.02 -0.55 8.40 8.05 1kl1A1 ALA 361 HA 0.04 0.06 0.38 -0.75 4.34 4.07 1kl1A1 ALA 361 HB3 0.07 0.05 0.08 -0.04 1.41 1.58 1kl1A1 ALA 362 H -0.04 0.17 -0.21 -0.55 8.40 7.78 1kl1A1 ALA 362 HA -0.14 0.00 0.45 -0.75 4.34 3.90 1kl1A1 ALA 362 HB3 -0.38 0.08 -0.08 -0.04 1.41 0.98 1kl1A1 VAL 363 H -0.04 0.16 -0.08 -0.55 8.24 7.72 1kl1A1 VAL 363 HA -0.27 0.12 0.35 -0.75 4.13 3.58 1kl1A1 VAL 363 HB -0.38 -0.02 0.03 -0.04 2.12 1.70 1kl1A1 VAL 363 HG13 -0.17 0.07 -0.00 -0.04 0.97 0.83 1kl1A1 VAL 363 HG23 0.04 -0.00 -0.02 -0.04 0.95 0.93 1kl1A1 THR 364 H 0.06 0.47 -0.34 -0.55 8.28 7.92 1kl1A1 THR 364 HA 0.13 0.16 0.45 -0.75 4.39 4.37 1kl1A1 THR 364 HB 0.12 0.07 0.11 -0.04 4.32 4.57 1kl1A1 THR 364 HG23 0.03 -0.01 -0.13 -0.04 1.22 1.07 1kl1A1 THR 365 H 0.22 0.43 -0.08 -0.55 8.28 8.30 1kl1A1 THR 365 HA 0.07 -0.02 0.39 -0.75 4.39 4.08 1kl1A1 THR 365 HB 0.22 0.11 0.26 -0.04 4.32 4.87 1kl1A1 THR 365 HG23 0.07 -0.00 0.01 -0.04 1.22 1.26 1kl1A1 ARG 366 H 0.10 0.35 -0.24 -0.55 8.46 8.12 1kl1A1 ARG 366 HA 0.02 0.05 0.54 -0.75 4.34 4.20 1kl1A1 ARG 366 HB2 -0.08 0.01 0.17 -0.04 1.90 1.95 1kl1A1 ARG 366 HB3 -0.02 -0.03 0.10 -0.04 1.80 1.81 1kl1A1 ARG 366 HG2 -0.36 0.07 0.13 -0.04 1.67 1.47 1kl1A1 ARG 366 HG3 -0.27 -0.03 -0.11 -0.04 1.67 1.21 1kl1A1 ARG 366 HD2 -0.14 -0.02 0.03 -0.04 3.22 3.05 1kl1A1 ARG 366 HD3 -0.77 -0.09 0.03 -0.04 3.22 2.35 1kl1A1 GLY 367 H 0.12 0.50 -0.48 -0.55 8.43 8.02 1kl1A1 GLY 367 HA2 0.13 -0.02 0.29 -0.51 4.01 3.90 1kl1A1 GLY 367 HA3 0.14 0.08 0.71 -0.51 4.01 4.43 1kl1A1 PHE 368 H 0.26 0.53 0.08 -0.55 8.34 8.66 1kl1A1 PHE 368 HA 0.03 0.01 0.54 -0.75 4.62 4.45 1kl1A1 PHE 368 HB2 0.05 0.04 -0.11 -0.04 3.15 3.09 1kl1A1 PHE 368 HB3 0.03 -0.11 -0.05 -0.04 3.06 2.89 1kl1A1 PHE 368 HD2 0.03 -0.06 -0.17 -0.04 7.28 7.04 1kl1A1 PHE 368 HE2 0.01 0.06 -0.04 -0.04 7.38 7.36 1kl1A1 PHE 368 HZ -0.01 0.10 -0.21 -0.04 7.32 7.15 1kl1A1 GLY 369 H 0.05 -0.01 0.17 -0.55 8.43 8.09 1kl1A1 GLY 369 HA2 0.07 0.30 0.81 -0.51 4.01 4.68 1kl1A1 GLY 369 HA3 0.04 0.01 0.36 -0.51 4.01 3.92 1kl1A1 LEU 370 H 0.02 0.22 0.16 -0.55 8.37 8.21 1kl1A1 LEU 370 HA 0.02 0.11 0.35 -0.75 4.35 4.08 1kl1A1 LEU 370 HB2 0.01 -0.01 0.11 -0.04 1.64 1.71 1kl1A1 LEU 370 HB3 0.01 0.05 0.04 -0.04 1.64 1.70 1kl1A1 LEU 370 HG 0.01 -0.03 0.10 -0.04 1.64 1.69 1kl1A1 LEU 370 HD13 0.01 0.02 0.02 -0.04 0.93 0.93 1kl1A1 LEU 370 HD23 0.01 0.01 -0.09 -0.04 0.89 0.78 1kl1A1 GLU 371 H -0.01 0.12 -0.06 -0.55 8.60 8.11 1kl1A1 GLU 371 HA -0.02 0.10 0.46 -0.75 4.29 4.08 1kl1A1 GLU 371 HB2 -0.04 0.01 0.05 -0.04 2.09 2.06 1kl1A1 GLU 371 HB3 -0.03 0.07 0.02 -0.04 1.99 2.01 1kl1A1 GLU 371 HG2 -0.01 -0.08 0.07 -0.04 2.34 2.28 1kl1A1 GLU 371 HG3 -0.02 0.07 0.03 -0.04 2.34 2.38 1kl1A1 GLU 372 H -0.06 0.05 -0.30 -0.55 8.60 7.74 1kl1A1 GLU 372 HA -0.16 0.11 0.48 -0.75 4.29 3.96 1kl1A1 GLU 372 HB2 -0.11 0.01 0.12 -0.04 2.09 2.07 1kl1A1 GLU 372 HB3 -0.46 0.07 0.01 -0.04 1.99 1.57 1kl1A1 GLU 372 HG2 -1.03 0.16 0.05 -0.04 2.34 1.48 1kl1A1 GLU 372 HG3 -0.47 0.07 0.03 -0.04 2.34 1.92 1kl1A1 MET 373 H 0.02 0.41 -0.17 -0.55 8.47 8.19 1kl1A1 MET 373 HA 0.06 0.03 0.34 -0.75 4.52 4.20 1kl1A1 MET 373 HB2 0.03 0.10 0.08 -0.04 2.15 2.31 1kl1A1 MET 373 HB3 0.03 -0.06 -0.08 -0.04 2.03 1.89 1kl1A1 MET 373 HG2 0.06 0.14 -0.09 -0.04 2.63 2.69 1kl1A1 MET 373 HG3 0.04 0.08 0.08 -0.04 2.56 2.72 1kl1A1 MET 373 HE3 0.21 -0.01 -0.25 -0.04 2.10 2.00 1kl1A1 ASP 374 H 0.00 0.45 -0.20 -0.55 8.40 8.10 1kl1A1 ASP 374 HA 0.02 0.02 0.37 -0.75 4.63 4.29 1kl1A1 ASP 374 HB2 -0.00 0.13 0.13 -0.04 2.71 2.93 1kl1A1 ASP 374 HB3 0.00 -0.02 -0.03 -0.04 2.70 2.61 1kl1A1 GLU 375 H -0.02 0.41 -0.24 -0.55 8.60 8.21 1kl1A1 GLU 375 HA -0.00 0.01 0.49 -0.75 4.29 4.04 1kl1A1 GLU 375 HB2 -0.04 -0.01 0.10 -0.04 2.09 2.10 1kl1A1 GLU 375 HB3 -0.06 0.09 0.18 -0.04 1.99 2.17 1kl1A1 GLU 375 HG2 -0.05 0.04 -0.02 -0.04 2.34 2.26 1kl1A1 GLU 375 HG3 -0.02 0.02 -0.21 -0.04 2.34 2.09 1kl1A1 ILE 376 H 0.01 0.67 -0.06 -0.55 8.25 8.32 1kl1A1 ILE 376 HA 0.04 0.02 0.32 -0.75 4.18 3.80 1kl1A1 ILE 376 HB 0.06 0.07 0.11 -0.04 1.89 2.09 1kl1A1 ILE 376 HG12 0.12 -0.01 -0.03 -0.04 1.49 1.54 1kl1A1 ILE 376 HG13 0.07 0.08 0.03 -0.04 1.21 1.35 1kl1A1 ILE 376 HG23 0.04 -0.02 -0.21 -0.04 0.93 0.71 1kl1A1 ILE 376 HD13 0.28 -0.02 -0.13 -0.04 0.88 0.97 1kl1A1 ALA 377 H 0.03 0.58 -0.22 -0.55 8.40 8.24 1kl1A1 ALA 377 HA 0.03 -0.02 0.40 -0.75 4.34 4.00 1kl1A1 ALA 377 HB3 0.05 0.05 -0.09 -0.04 1.41 1.38 1kl1A1 ALA 378 H 0.04 0.52 -0.22 -0.55 8.40 8.19 1kl1A1 ALA 378 HA 0.06 0.01 0.38 -0.75 4.34 4.03 1kl1A1 ALA 378 HB3 0.02 0.01 0.11 -0.04 1.41 1.52 1kl1A1 ILE 379 H 0.03 0.68 -0.16 -0.55 8.25 8.25 1kl1A1 ILE 379 HA 0.03 -0.01 0.40 -0.75 4.18 3.85 1kl1A1 ILE 379 HB 0.03 0.10 0.11 -0.04 1.89 2.09 1kl1A1 ILE 379 HG12 0.02 -0.07 -0.00 -0.04 1.49 1.40 1kl1A1 ILE 379 HG13 0.02 0.13 0.02 -0.04 1.21 1.34 1kl1A1 ILE 379 HG23 0.03 -0.02 -0.09 -0.04 0.93 0.81 1kl1A1 ILE 379 HD13 0.02 -0.00 -0.21 -0.04 0.88 0.64 1kl1A1 ILE 380 H 0.04 0.65 -0.09 -0.55 8.25 8.31 1kl1A1 ILE 380 HA 0.03 -0.03 0.38 -0.75 4.18 3.80 1kl1A1 ILE 380 HB -0.01 0.13 0.12 -0.04 1.89 2.09 1kl1A1 ILE 380 HG12 -0.03 -0.07 -0.04 -0.04 1.49 1.31 1kl1A1 ILE 380 HG13 0.00 0.12 0.03 -0.04 1.21 1.32 1kl1A1 ILE 380 HG23 -0.24 -0.03 -0.14 -0.04 0.93 0.48 1kl1A1 ILE 380 HD13 -0.06 -0.03 -0.14 -0.04 0.88 0.61 1kl1A1 GLY 381 H 0.17 0.62 -0.27 -0.55 8.43 8.40 1kl1A1 GLY 381 HA2 0.39 -0.01 0.32 -0.51 4.01 4.20 1kl1A1 GLY 381 HA3 0.16 0.09 0.28 -0.51 4.01 4.03 1kl1A1 LEU 382 H 0.07 0.57 -0.09 -0.55 8.37 8.38 1kl1A1 LEU 382 HA 0.03 -0.02 0.34 -0.75 4.35 3.95 1kl1A1 LEU 382 HB2 0.03 -0.01 0.10 -0.04 1.64 1.72 1kl1A1 LEU 382 HB3 0.04 0.16 0.19 -0.04 1.64 1.99 1kl1A1 LEU 382 HG 0.03 0.02 -0.32 -0.04 1.64 1.33 1kl1A1 LEU 382 HD13 0.02 -0.04 0.03 -0.04 0.93 0.89 1kl1A1 LEU 382 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83 1kl1A1 VAL 383 H 0.06 0.57 -0.21 -0.55 8.24 8.11 1kl1A1 VAL 383 HA 0.04 0.04 0.35 -0.75 4.13 3.81 1kl1A1 VAL 383 HB 0.05 0.05 0.08 -0.04 2.12 2.26 1kl1A1 VAL 383 HG13 0.03 -0.02 -0.31 -0.04 0.97 0.63 1kl1A1 VAL 383 HG23 0.03 0.03 -0.04 -0.04 0.95 0.93 1kl1A1 LEU 384 H 0.13 0.70 -0.00 -0.55 8.37 8.65 1kl1A1 LEU 384 HA 0.08 -0.01 0.33 -0.75 4.35 3.99 1kl1A1 LEU 384 HB2 0.39 0.12 0.02 -0.04 1.64 2.13 1kl1A1 LEU 384 HB3 0.20 -0.07 0.02 -0.04 1.64 1.76 1kl1A1 LEU 384 HG 0.06 0.17 0.06 -0.04 1.64 1.89 1kl1A1 LEU 384 HD13 -0.11 -0.03 -0.09 -0.04 0.93 0.66 1kl1A1 LEU 384 HD23 0.03 -0.02 -0.06 -0.04 0.89 0.79 1kl1A1 LYS 385 H 0.08 0.53 -0.33 -0.55 8.42 8.15 1kl1A1 LYS 385 HA 0.02 0.10 0.70 -0.75 4.32 4.38 1kl1A1 LYS 385 HB2 -0.00 0.19 0.05 -0.04 1.87 2.07 1kl1A1 LYS 385 HB3 -0.03 -0.10 0.11 -0.04 1.79 1.74 1kl1A1 LYS 385 HG2 -0.09 -0.04 -0.03 -0.04 1.46 1.26 1kl1A1 LYS 385 HG3 -0.07 0.01 -0.01 -0.04 1.46 1.35 1kl1A1 LYS 385 HD2 -0.12 -0.08 0.03 -0.04 1.69 1.48 1kl1A1 LYS 385 HD3 -0.31 0.07 0.01 -0.04 1.68 1.41 1kl1A1 LYS 385 HE2 -0.09 -0.06 -0.01 -0.04 2.99 2.79 1kl1A1 LYS 385 HE3 -0.05 -0.07 -0.05 -0.04 2.99 2.77 1kl1A1 ASN 386 H 0.04 0.42 -0.55 -0.55 8.53 7.89 1kl1A1 ASN 386 HA 0.01 0.08 0.78 -0.75 4.76 4.88 1kl1A1 ASN 386 HB2 0.02 0.23 0.21 -0.04 2.88 3.30 1kl1A1 ASN 386 HB3 0.01 -0.23 0.23 -0.04 2.79 2.76 1kl1A1 ASN 386 HD21 0.01 -0.06 -0.09 -0.04 7.03 6.84 1kl1A1 ASN 386 HD22 0.02 0.52 0.07 -0.04 7.74 8.31 1kl1A1 VAL 387 H 0.03 0.23 -0.12 -0.55 8.24 7.83 1kl1A1 VAL 387 HA 0.02 0.16 0.39 -0.75 4.13 3.95 1kl1A1 VAL 387 HB 0.02 -0.02 0.07 -0.04 2.12 2.15 1kl1A1 VAL 387 HG13 0.02 -0.03 -0.05 -0.04 0.97 0.87 1kl1A1 VAL 387 HG23 0.04 0.04 0.01 -0.04 0.95 0.99 1kl1A1 GLY 388 H 0.01 0.09 -0.28 -0.55 8.43 7.70 1kl1A1 GLY 388 HA2 0.01 0.14 0.58 -0.51 4.01 4.24 1kl1A1 GLY 388 HA3 0.01 -0.01 0.28 -0.51 4.01 3.78 1kl1A1 SER 389 H 0.01 0.59 -0.33 -0.55 8.46 8.18 1kl1A1 SER 389 HA 0.01 0.12 0.93 -0.75 4.49 4.80 1kl1A1 SER 389 HB2 0.01 0.05 0.04 -0.04 3.95 4.00 1kl1A1 SER 389 HB3 0.01 0.26 0.23 -0.04 3.93 4.39 1kl1A1 GLU 390 H 0.01 0.24 0.17 -0.55 8.60 8.47 1kl1A1 GLU 390 HA 0.01 0.15 0.36 -0.75 4.29 4.06 1kl1A1 GLU 390 HB2 0.01 -0.02 0.13 -0.04 2.09 2.16 1kl1A1 GLU 390 HB3 0.01 0.02 0.06 -0.04 1.99 2.04 1kl1A1 GLU 390 HG2 0.01 0.04 0.04 -0.04 2.34 2.39 1kl1A1 GLU 390 HG3 0.01 0.01 0.03 -0.04 2.34 2.35 1kl1A1 GLN 391 H 0.01 0.08 -0.14 -0.55 8.47 7.87 1kl1A1 GLN 391 HA 0.01 0.11 0.53 -0.75 4.36 4.26 1kl1A1 GLN 391 HB2 0.01 0.05 0.02 -0.04 2.15 2.18 1kl1A1 GLN 391 HB3 0.01 0.02 0.08 -0.04 2.02 2.09 1kl1A1 GLN 391 HG2 0.01 -0.13 0.06 -0.04 2.40 2.30 1kl1A1 GLN 391 HG3 0.01 0.07 -0.03 -0.04 2.39 2.39 1kl1A1 GLN 391 HE21 0.00 0.03 0.02 -0.04 6.97 6.98 1kl1A1 GLN 391 HE22 0.01 -0.01 0.03 -0.04 7.69 7.67 1kl1A1 ALA 392 H 0.01 0.12 -0.20 -0.55 8.40 7.78 1kl1A1 ALA 392 HA 0.01 0.03 0.44 -0.75 4.34 4.08 1kl1A1 ALA 392 HB3 0.02 0.09 0.08 -0.04 1.41 1.55 1kl1A1 LEU 393 H 0.01 0.37 -0.19 -0.55 8.37 8.01 1kl1A1 LEU 393 HA 0.02 0.06 0.46 -0.75 4.35 4.14 1kl1A1 LEU 393 HB2 0.01 0.02 0.10 -0.04 1.64 1.72 1kl1A1 LEU 393 HB3 0.01 0.01 0.00 -0.04 1.64 1.63 1kl1A1 LEU 393 HG 0.02 0.24 0.01 -0.04 1.64 1.86 1kl1A1 LEU 393 HD13 0.01 0.01 -0.04 -0.04 0.93 0.87 1kl1A1 LEU 393 HD23 0.02 0.00 -0.08 -0.04 0.89 0.79 1kl1A1 GLU 394 H 0.01 0.45 -0.16 -0.55 8.60 8.35 1kl1A1 GLU 394 HA 0.01 0.07 0.51 -0.75 4.29 4.13 1kl1A1 GLU 394 HB2 0.01 0.02 0.13 -0.04 2.09 2.21 1kl1A1 GLU 394 HB3 0.01 0.04 0.18 -0.04 1.99 2.18 1kl1A1 GLU 394 HG2 0.01 -0.04 0.00 -0.04 2.34 2.27 1kl1A1 GLU 394 HG3 0.01 -0.01 -0.14 -0.04 2.34 2.16 1kl1A1 GLU 395 H 0.01 0.51 -0.13 -0.55 8.60 8.44 1kl1A1 GLU 395 HA 0.01 -0.00 0.45 -0.75 4.29 3.99 1kl1A1 GLU 395 HB2 0.01 -0.02 0.11 -0.04 2.09 2.15 1kl1A1 GLU 395 HB3 0.01 0.12 0.15 -0.04 1.99 2.23 1kl1A1 GLU 395 HG2 0.01 0.00 -0.27 -0.04 2.34 2.04 1kl1A1 GLU 395 HG3 0.01 -0.05 0.02 -0.04 2.34 2.28 1kl1A1 ALA 396 H 0.02 0.58 -0.16 -0.55 8.40 8.29 1kl1A1 ALA 396 HA 0.02 -0.04 0.50 -0.75 4.34 4.06 1kl1A1 ALA 396 HB3 0.02 0.04 0.11 -0.04 1.41 1.53 1kl1A1 ARG 397 H 0.01 0.56 -0.09 -0.55 8.46 8.39 1kl1A1 ARG 397 HA 0.02 0.22 0.48 -0.75 4.34 4.30 1kl1A1 ARG 397 HB2 0.01 0.08 0.23 -0.04 1.90 2.19 1kl1A1 ARG 397 HB3 0.01 -0.07 -0.08 -0.04 1.80 1.62 1kl1A1 ARG 397 HG2 0.01 0.04 0.09 -0.04 1.67 1.77 1kl1A1 ARG 397 HG3 0.01 0.04 0.17 -0.04 1.67 1.85 1kl1A1 ARG 397 HD2 0.01 -0.07 0.04 -0.04 3.22 3.15 1kl1A1 ARG 397 HD3 0.01 -0.04 0.03 -0.04 3.22 3.18 1kl1A1 GLN 398 H 0.01 0.46 -0.18 -0.55 8.47 8.22 1kl1A1 GLN 398 HA 0.01 0.02 0.61 -0.75 4.36 4.25 1kl1A1 GLN 398 HB2 0.01 0.10 0.18 -0.04 2.15 2.40 1kl1A1 GLN 398 HB3 0.01 -0.07 0.07 -0.04 2.02 1.98 1kl1A1 GLN 398 HG2 0.01 -0.04 0.04 -0.04 2.40 2.36 1kl1A1 GLN 398 HG3 0.01 0.15 0.08 -0.04 2.39 2.59 1kl1A1 GLN 398 HE21 0.01 -0.06 -0.03 -0.04 6.97 6.84 1kl1A1 GLN 398 HE22 0.01 0.02 -0.02 -0.04 7.69 7.65 1kl1A1 ARG 399 H 0.01 0.57 -0.09 -0.55 8.46 8.40 1kl1A1 ARG 399 HA 0.00 -0.02 0.49 -0.75 4.34 4.05 1kl1A1 ARG 399 HB2 0.01 0.12 0.18 -0.04 1.90 2.16 1kl1A1 ARG 399 HB3 0.00 -0.07 0.03 -0.04 1.80 1.72 1kl1A1 ARG 399 HG2 0.00 -0.07 0.00 -0.04 1.67 1.56 1kl1A1 ARG 399 HG3 0.01 0.10 0.04 -0.04 1.67 1.77 1kl1A1 ARG 399 HD2 0.01 -0.06 -0.06 -0.04 3.22 3.06 1kl1A1 ARG 399 HD3 0.01 0.03 -0.13 -0.04 3.22 3.09 1kl1A1 VAL 400 H 0.02 0.66 -0.06 -0.55 8.24 8.31 1kl1A1 VAL 400 HA 0.03 -0.04 0.46 -0.75 4.13 3.83 1kl1A1 VAL 400 HB 0.02 0.15 0.25 -0.04 2.12 2.50 1kl1A1 VAL 400 HG13 0.03 -0.01 -0.04 -0.04 0.97 0.91 1kl1A1 VAL 400 HG23 0.03 0.01 -0.04 -0.04 0.95 0.91 1kl1A1 ALA 401 H 0.02 0.57 -0.09 -0.55 8.40 8.35 1kl1A1 ALA 401 HA 0.01 0.11 0.39 -0.75 4.34 4.10 1kl1A1 ALA 401 HB3 0.02 0.01 0.13 -0.04 1.41 1.52 1kl1A1 ALA 402 H 0.01 0.47 -0.25 -0.55 8.40 8.07 1kl1A1 ALA 402 HA 0.00 -0.04 0.49 -0.75 4.34 4.04 1kl1A1 ALA 402 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 1kl1A1 LEU 403 H -0.00 0.44 -0.23 -0.55 8.37 8.03 1kl1A1 LEU 403 HA -0.11 -0.04 0.48 -0.75 4.35 3.93 1kl1A1 LEU 403 HB2 0.05 0.23 0.16 -0.04 1.64 2.04 1kl1A1 LEU 403 HB3 -0.05 -0.08 -0.04 -0.04 1.64 1.43 1kl1A1 LEU 403 HG -0.06 0.11 0.04 -0.04 1.64 1.69 1kl1A1 LEU 403 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.80 1kl1A1 LEU 403 HD23 -0.31 -0.04 0.01 -0.04 0.89 0.50 1kl1A1 THR 404 H 0.03 0.43 -0.07 -0.55 8.28 8.12 1kl1A1 THR 404 HA 0.07 0.07 0.74 -0.75 4.39 4.52 1kl1A1 THR 404 HB -0.29 0.25 0.17 -0.04 4.32 4.41 1kl1A1 THR 404 HG23 0.05 -0.03 -0.23 -0.04 1.22 0.97 1kl1A1 ASP 405 H 0.02 0.29 -0.35 -0.55 8.40 7.81 1kl1A1 ASP 405 HA 0.05 0.01 0.14 -0.75 4.63 4.07 1kl1A1 ASP 405 HB2 0.07 -0.07 -0.04 -0.04 2.71 2.62 1kl1A1 ASP 405 HB3 0.11 0.27 -0.48 -0.04 2.70 2.55