============================================================================= 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. HIS 2 0.900 66.572 36.445 36.918 -99.200 -91.000 TYR 8 0.840 72.121 52.671 31.715 -99.200 -91.000 TRP 13 1.040 74.540 52.512 26.240 -99.200 -91.000 TRP6 13 1.020 74.257 52.339 23.904 -99.200 -91.000 PHE 15 1.000 68.716 62.427 24.172 -99.200 -91.000 PHE 37 1.000 69.197 70.516 20.607 -99.200 -91.000 HIS 59 0.900 59.773 44.775 40.240 -99.200 -91.000 HIS 62 0.900 60.902 49.721 35.797 -99.200 -91.000 HIS 74 0.900 75.493 40.368 25.507 -99.200 -91.000 HIS 77 0.900 76.312 50.207 14.711 -99.200 -91.000 HIS 78 0.900 75.319 44.033 11.311 -99.200 -91.000 PHE 101 1.000 60.317 57.053 12.136 -99.200 -91.000 PHE 104 1.000 60.491 54.100 2.902 -99.200 -91.000 TYR 110 0.840 58.570 49.243 0.848 -99.200 -91.000 PHE 118 1.000 59.743 42.163 -8.609 -99.200 -91.000 TYR 121 0.840 67.347 41.395 -14.145 -99.200 -91.000 TYR 129 0.840 59.973 49.775 -16.033 -99.200 -91.000 PHE 132 1.000 57.372 50.013 -11.223 -99.200 -91.000 HIS 137 0.900 65.223 47.883 -5.466 -99.200 -91.000 TYR 141 0.840 64.623 45.318 0.431 -99.200 -91.000 PHE 143 1.000 75.062 40.553 1.251 -99.200 -91.000 PHE 151 1.000 76.521 42.247 15.668 -99.200 -91.000 HIS 159 0.900 64.096 38.006 15.996 -99.200 -91.000 PHE 180 1.000 57.418 45.944 15.312 -99.200 -91.000 TRP 190 1.040 57.355 33.530 9.804 -99.200 -91.000 TRP6 190 1.020 55.062 34.050 9.946 -99.200 -91.000 PHE 197 1.000 55.801 17.877 15.557 -99.200 -91.000 TYR 201 0.840 61.617 28.947 20.402 -99.200 -91.000 TRP 208 1.040 61.518 26.157 9.489 -99.200 -91.000 TRP6 208 1.020 61.441 24.036 8.444 -99.200 -91.000 PHE 210 1.000 67.772 34.431 5.782 -99.200 -91.000 TRP 215 1.040 56.972 31.142 0.063 -99.200 -91.000 TRP6 215 1.020 54.956 32.251 0.604 -99.200 -91.000 PHE 218 1.000 63.731 36.757 -3.429 -99.200 -91.000 TYR 225 0.840 53.966 26.760 5.614 -99.200 -91.000 PHE 234 1.000 51.879 23.874 8.789 -99.200 -91.000 TYR 249 0.840 56.148 38.792 -7.427 -99.200 -91.000 TYR 255 0.840 61.209 26.433 -4.109 -99.200 -91.000 TRP 262 1.040 61.868 26.533 4.837 -99.200 -91.000 TRP6 262 1.020 60.707 27.026 2.839 -99.200 -91.000 HIS 263 0.900 68.306 18.437 5.741 -99.200 -91.000 PHE 272 1.000 70.837 33.012 10.379 -99.200 -91.000 HIS 278 0.900 73.833 30.489 -2.320 -99.200 -91.000 HIS 292 0.900 70.720 50.157 -21.420 -99.200 -91.000 HIS 293 0.900 72.588 52.832 -17.697 -99.200 -91.000 HIS 294 0.900 77.823 46.107 -16.331 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rl5A1 GLU 815 HA -0.19 -0.11 0.22 -0.75 4.29 3.46 2rl5A1 GLU 815 HB2 -0.04 0.02 0.08 -0.04 2.09 2.12 2rl5A1 GLU 815 HB3 -0.15 -0.02 -0.04 -0.04 1.99 1.74 2rl5A1 GLU 815 HG2 -0.09 -0.02 0.04 -0.04 2.34 2.23 2rl5A1 GLU 815 HG3 -0.06 0.03 0.04 -0.04 2.34 2.31 2rl5A1 HIS 816 H -0.24 0.09 0.10 -0.55 8.41 7.81 2rl5A1 HIS 816 HA -0.03 -0.04 0.32 -0.75 4.63 4.12 2rl5A1 HIS 816 HB2 -0.02 0.35 0.11 -0.04 3.26 3.66 2rl5A1 HIS 816 HB3 -0.02 -0.05 0.19 -0.04 3.20 3.28 2rl5A1 HIS 816 HD2 -0.01 0.07 -0.15 -0.04 6.97 6.83 2rl5A1 HIS 816 HE1 -0.00 -0.02 -0.02 -0.04 7.75 7.67 2rl5A1 ALA 817 H -0.03 0.12 -0.15 -0.55 8.40 7.79 2rl5A1 ALA 817 HA -0.02 0.16 0.30 -0.75 4.34 4.02 2rl5A1 ALA 817 HB3 -0.05 0.03 0.02 -0.04 1.41 1.37 2rl5A1 GLU 818 H -0.01 -0.01 -0.36 -0.55 8.60 7.67 2rl5A1 GLU 818 HA -0.04 0.14 0.09 -0.75 4.29 3.73 2rl5A1 GLU 818 HB2 -0.07 -0.00 0.04 -0.04 2.09 2.02 2rl5A1 GLU 818 HB3 -0.04 0.06 0.04 -0.04 1.99 2.01 2rl5A1 GLU 818 HG2 -0.01 0.14 -0.36 -0.04 2.34 2.07 2rl5A1 GLU 818 HG3 -0.06 -0.04 -0.08 -0.04 2.34 2.12 2rl5A1 ARG 819 H 0.01 0.38 -0.67 -0.55 8.46 7.63 2rl5A1 ARG 819 HA -0.01 0.18 0.87 -0.75 4.34 4.62 2rl5A1 ARG 819 HB2 0.00 0.14 0.05 -0.04 1.90 2.06 2rl5A1 ARG 819 HB3 -0.01 -0.05 0.13 -0.04 1.80 1.83 2rl5A1 ARG 819 HG2 -0.02 0.03 -0.21 -0.04 1.67 1.42 2rl5A1 ARG 819 HG3 -0.00 -0.07 -0.11 -0.04 1.67 1.45 2rl5A1 ARG 819 HD2 -0.03 0.00 -0.00 -0.04 3.22 3.15 2rl5A1 ARG 819 HD3 -0.04 -0.06 -0.03 -0.04 3.22 3.05 2rl5A1 LEU 820 H 0.00 0.48 -0.15 -0.55 8.37 8.15 2rl5A1 LEU 820 HA 0.02 0.04 0.51 -0.75 4.35 4.16 2rl5A1 LEU 820 HB2 0.01 0.04 0.08 -0.04 1.64 1.73 2rl5A1 LEU 820 HB3 0.03 0.03 0.08 -0.04 1.64 1.74 2rl5A1 LEU 820 HG -0.02 -0.03 0.10 -0.04 1.64 1.65 2rl5A1 LEU 820 HD13 -0.06 -0.01 -0.01 -0.04 0.93 0.81 2rl5A1 LEU 820 HD23 -0.02 -0.01 -0.00 -0.04 0.89 0.82 2rl5A1 PRO 821 HA 0.09 0.02 0.43 -0.51 4.44 4.46 2rl5A1 PRO 821 HB2 0.07 0.00 0.02 -0.04 2.28 2.33 2rl5A1 PRO 821 HB3 0.06 -0.02 0.05 -0.04 2.02 2.07 2rl5A1 PRO 821 HG2 0.04 0.01 0.07 -0.04 2.03 2.11 2rl5A1 PRO 821 HG3 0.04 0.05 0.07 -0.04 2.03 2.15 2rl5A1 PRO 821 HD2 0.04 0.10 0.20 -0.04 3.68 3.97 2rl5A1 PRO 821 HD3 0.03 0.17 0.23 -0.04 3.65 4.03 2rl5A1 TYR 822 H 0.18 0.14 0.13 -0.55 8.29 8.19 2rl5A1 TYR 822 HA 0.08 0.21 0.88 -0.75 4.56 4.98 2rl5A1 TYR 822 HB2 0.03 0.18 -0.11 -0.04 3.06 3.12 2rl5A1 TYR 822 HB3 0.05 -0.05 0.12 -0.04 2.98 3.06 2rl5A1 TYR 822 HD2 0.05 0.03 -0.08 -0.04 7.15 7.11 2rl5A1 TYR 822 HE2 0.07 -0.00 -0.11 -0.04 6.85 6.77 2rl5A1 ASP 823 H -0.00 0.29 0.02 -0.55 8.40 8.16 2rl5A1 ASP 823 HA -0.07 0.09 0.59 -0.75 4.63 4.49 2rl5A1 ASP 823 HB2 0.05 0.10 0.07 -0.04 2.71 2.89 2rl5A1 ASP 823 HB3 0.07 0.04 0.21 -0.04 2.70 2.97 2rl5A1 ALA 824 H -0.16 0.39 0.19 -0.55 8.40 8.27 2rl5A1 ALA 824 HA -0.39 0.03 0.38 -0.75 4.34 3.61 2rl5A1 ALA 824 HB3 0.09 0.03 0.11 -0.04 1.41 1.59 2rl5A1 SER 825 H -0.07 0.07 -0.12 -0.55 8.46 7.80 2rl5A1 SER 825 HA -0.04 0.10 0.33 -0.75 4.49 4.13 2rl5A1 SER 825 HB2 -0.05 0.05 0.08 -0.04 3.95 3.99 2rl5A1 SER 825 HB3 -0.04 -0.04 0.09 -0.04 3.93 3.90 2rl5A1 LYS 826 H -0.17 0.16 -0.59 -0.55 8.42 7.27 2rl5A1 LYS 826 HA -0.30 0.21 0.92 -0.75 4.32 4.40 2rl5A1 LYS 826 HB2 -0.29 -0.09 0.00 -0.04 1.87 1.45 2rl5A1 LYS 826 HB3 -0.40 0.03 0.10 -0.04 1.79 1.47 2rl5A1 LYS 826 HG2 -2.03 0.06 -0.25 -0.04 1.46 -0.81 2rl5A1 LYS 826 HG3 -0.73 0.02 0.07 -0.04 1.46 0.78 2rl5A1 LYS 826 HD2 -0.27 -0.05 -0.00 -0.04 1.69 1.32 2rl5A1 LYS 826 HD3 -0.23 -0.02 -0.02 -0.04 1.68 1.38 2rl5A1 LYS 826 HE2 -0.78 0.04 -0.03 -0.04 2.99 2.18 2rl5A1 LYS 826 HE3 -0.54 0.00 0.00 -0.04 2.99 2.41 2rl5A1 TRP 827 H -0.06 0.17 0.11 -0.55 7.97 7.65 2rl5A1 TRP 827 HA 0.02 0.37 1.12 -0.75 4.62 5.38 2rl5A1 TRP 827 HB2 -0.01 -0.06 -0.02 -0.04 3.23 3.10 2rl5A1 TRP 827 HB3 0.13 -0.10 -0.03 -0.04 3.23 3.19 2rl5A1 TRP 827 HD1 -0.21 -0.03 -0.02 -0.04 7.22 6.93 2rl5A1 TRP 827 HE1 -0.01 -0.01 -0.04 -0.04 10.20 10.10 2rl5A1 TRP 827 HE3 0.03 -0.03 -0.31 -0.04 7.59 7.23 2rl5A1 TRP 827 HZ2 0.03 0.02 -0.02 -0.04 7.44 7.42 2rl5A1 TRP 827 HZ3 0.01 0.21 -0.34 -0.04 7.13 6.97 2rl5A1 TRP 827 HH2 0.03 -0.01 -0.05 -0.04 7.19 7.11 2rl5A1 GLU 828 H 0.14 0.35 0.24 -0.55 8.60 8.78 2rl5A1 GLU 828 HA 0.31 0.19 0.59 -0.75 4.29 4.63 2rl5A1 GLU 828 HB2 0.21 -0.14 0.22 -0.04 2.09 2.34 2rl5A1 GLU 828 HB3 0.12 0.06 0.08 -0.04 1.99 2.21 2rl5A1 GLU 828 HG2 0.13 -0.06 -0.00 -0.04 2.34 2.37 2rl5A1 GLU 828 HG3 0.13 0.07 -0.13 -0.04 2.34 2.37 2rl5A1 PHE 829 H 0.28 0.43 0.37 -0.55 8.34 8.87 2rl5A1 PHE 829 HA 0.06 0.22 0.84 -0.75 4.62 4.99 2rl5A1 PHE 829 HB2 0.10 0.10 -0.12 -0.04 3.15 3.19 2rl5A1 PHE 829 HB3 0.09 -0.11 -0.11 -0.04 3.06 2.89 2rl5A1 PHE 829 HD2 0.05 0.00 -0.18 -0.04 7.28 7.11 2rl5A1 PHE 829 HE2 0.04 0.10 -0.28 -0.04 7.38 7.19 2rl5A1 PHE 829 HZ 0.07 -0.07 -0.09 -0.04 7.32 7.19 2rl5A1 PRO 830 HA -0.09 0.00 0.46 -0.51 4.44 4.30 2rl5A1 PRO 830 HB2 -0.33 -0.05 0.08 -0.04 2.28 1.94 2rl5A1 PRO 830 HB3 -0.14 -0.00 0.07 -0.04 2.02 1.91 2rl5A1 PRO 830 HG2 -0.21 0.08 0.07 -0.04 2.03 1.92 2rl5A1 PRO 830 HG3 -0.12 0.03 0.03 -0.04 2.03 1.93 2rl5A1 PRO 830 HD2 -1.08 0.16 0.16 -0.04 3.68 2.88 2rl5A1 PRO 830 HD3 -0.19 0.27 0.18 -0.04 3.65 3.88 2rl5A1 ARG 831 H -0.02 0.15 0.18 -0.55 8.46 8.22 2rl5A1 ARG 831 HA 0.06 0.12 0.29 -0.75 4.34 4.07 2rl5A1 ARG 831 HB2 0.01 -0.05 0.07 -0.04 1.90 1.88 2rl5A1 ARG 831 HB3 0.02 0.03 -0.01 -0.04 1.80 1.81 2rl5A1 ARG 831 HG2 0.06 0.04 0.01 -0.04 1.67 1.74 2rl5A1 ARG 831 HG3 0.03 -0.02 0.04 -0.04 1.67 1.68 2rl5A1 ARG 831 HD2 0.02 -0.00 -0.17 -0.04 3.22 3.02 2rl5A1 ARG 831 HD3 0.02 -0.01 -0.04 -0.04 3.22 3.15 2rl5A1 ASP 832 H -0.05 0.02 -0.24 -0.55 8.40 7.59 2rl5A1 ASP 832 HA -0.01 0.14 0.44 -0.75 4.63 4.45 2rl5A1 ASP 832 HB2 -0.04 0.03 0.04 -0.04 2.71 2.70 2rl5A1 ASP 832 HB3 -0.03 0.00 0.07 -0.04 2.70 2.71 2rl5A1 ARG 833 H -0.14 0.37 -0.50 -0.55 8.46 7.64 2rl5A1 ARG 833 HA 0.05 0.10 0.62 -0.75 4.34 4.35 2rl5A1 ARG 833 HB2 -0.64 0.16 0.08 -0.04 1.90 1.47 2rl5A1 ARG 833 HB3 0.12 -0.03 0.26 -0.04 1.80 2.10 2rl5A1 ARG 833 HG2 0.15 -0.02 -0.00 -0.04 1.67 1.75 2rl5A1 ARG 833 HG3 -0.10 -0.13 -0.06 -0.04 1.67 1.33 2rl5A1 ARG 833 HD2 -0.26 -0.04 0.05 -0.04 3.22 2.92 2rl5A1 ARG 833 HD3 -0.06 0.27 0.09 -0.04 3.22 3.49 2rl5A1 LEU 834 H 0.06 0.33 -0.66 -0.55 8.37 7.56 2rl5A1 LEU 834 HA 0.19 0.27 0.93 -0.75 4.35 4.99 2rl5A1 LEU 834 HB2 0.20 0.06 -0.09 -0.04 1.64 1.77 2rl5A1 LEU 834 HB3 0.10 -0.05 -0.04 -0.04 1.64 1.61 2rl5A1 LEU 834 HG 0.10 -0.08 -0.16 -0.04 1.64 1.46 2rl5A1 LEU 834 HD13 0.32 0.03 -0.17 -0.04 0.93 1.07 2rl5A1 LEU 834 HD23 0.14 -0.01 -0.19 -0.04 0.89 0.79 2rl5A1 LYS 835 H 0.06 0.47 0.16 -0.55 8.42 8.55 2rl5A1 LYS 835 HA 0.01 0.19 0.88 -0.75 4.32 4.65 2rl5A1 LYS 835 HB2 0.01 0.05 -0.11 -0.04 1.87 1.77 2rl5A1 LYS 835 HB3 0.01 -0.11 0.18 -0.04 1.79 1.83 2rl5A1 LYS 835 HG2 -0.01 0.03 -0.10 -0.04 1.46 1.34 2rl5A1 LYS 835 HG3 -0.01 0.04 -0.00 -0.04 1.46 1.45 2rl5A1 LYS 835 HD2 -0.02 0.01 -0.04 -0.04 1.69 1.60 2rl5A1 LYS 835 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 2rl5A1 LYS 835 HE2 -0.02 -0.00 -0.05 -0.04 2.99 2.88 2rl5A1 LYS 835 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.92 2rl5A1 LEU 836 H 0.02 0.17 -0.05 -0.55 8.37 7.97 2rl5A1 LEU 836 HA 0.00 0.01 0.42 -0.75 4.35 4.03 2rl5A1 LEU 836 HB2 0.00 -0.02 0.06 -0.04 1.64 1.65 2rl5A1 LEU 836 HB3 0.01 0.08 -0.02 -0.04 1.64 1.66 2rl5A1 LEU 836 HG 0.02 0.01 -0.02 -0.04 1.64 1.61 2rl5A1 LEU 836 HD13 0.01 0.00 -0.06 -0.04 0.93 0.84 2rl5A1 LEU 836 HD23 0.03 -0.02 -0.15 -0.04 0.89 0.71 2rl5A1 GLY 837 H -0.02 0.82 0.36 -0.55 8.43 9.05 2rl5A1 GLY 837 HA2 -0.02 0.15 0.85 -0.51 4.01 4.48 2rl5A1 GLY 837 HA3 -0.04 -0.10 0.37 -0.51 4.01 3.73 2rl5A1 LYS 838 H -0.02 0.05 0.15 -0.55 8.42 8.04 2rl5A1 LYS 838 HA -0.00 0.13 0.55 -0.75 4.32 4.24 2rl5A1 LYS 838 HB2 -0.01 -0.05 0.10 -0.04 1.87 1.87 2rl5A1 LYS 838 HB3 0.00 0.13 0.10 -0.04 1.79 1.98 2rl5A1 LYS 838 HG2 -0.00 0.03 0.05 -0.04 1.46 1.49 2rl5A1 LYS 838 HG3 -0.01 -0.07 0.07 -0.04 1.46 1.41 2rl5A1 LYS 838 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.66 2rl5A1 LYS 838 HD3 0.00 0.03 0.03 -0.04 1.68 1.70 2rl5A1 LYS 838 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 2rl5A1 LYS 838 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.93 2rl5A1 PRO 839 HA 0.02 0.09 0.67 -0.51 4.44 4.71 2rl5A1 PRO 839 HB2 0.01 -0.01 0.01 -0.04 2.28 2.26 2rl5A1 PRO 839 HB3 0.02 0.05 0.06 -0.04 2.02 2.11 2rl5A1 PRO 839 HG2 0.01 0.02 0.06 -0.04 2.03 2.07 2rl5A1 PRO 839 HG3 0.01 0.09 0.05 -0.04 2.03 2.14 2rl5A1 PRO 839 HD2 0.01 0.08 0.23 -0.04 3.68 3.95 2rl5A1 PRO 839 HD3 0.00 0.17 0.27 -0.04 3.65 4.05 2rl5A1 LEU 840 H 0.05 0.67 0.44 -0.55 8.37 8.99 2rl5A1 LEU 840 HA 0.06 0.17 0.85 -0.75 4.35 4.67 2rl5A1 LEU 840 HB2 0.11 0.03 -0.05 -0.04 1.64 1.69 2rl5A1 LEU 840 HB3 0.12 -0.04 0.03 -0.04 1.64 1.72 2rl5A1 LEU 840 HG 0.09 -0.03 -0.19 -0.04 1.64 1.47 2rl5A1 LEU 840 HD13 0.26 -0.02 -0.19 -0.04 0.93 0.94 2rl5A1 LEU 840 HD23 0.16 0.02 -0.06 -0.04 0.89 0.96 2rl5A1 GLY 841 H 0.05 0.28 0.28 -0.55 8.43 8.49 2rl5A1 GLY 841 HA2 0.01 0.05 0.36 -0.51 4.01 3.92 2rl5A1 GLY 841 HA3 0.02 0.09 0.46 -0.51 4.01 4.07 2rl5A1 ARG 842 H 0.01 0.22 0.11 -0.55 8.46 8.24 2rl5A1 ARG 842 HA 0.03 0.17 0.69 -0.75 4.34 4.48 2rl5A1 ARG 842 HB2 0.01 0.19 0.09 -0.04 1.90 2.15 2rl5A1 ARG 842 HB3 0.02 0.01 -0.10 -0.04 1.80 1.69 2rl5A1 ARG 842 HG2 0.01 -0.08 -0.03 -0.04 1.67 1.52 2rl5A1 ARG 842 HG3 0.00 0.02 0.09 -0.04 1.67 1.74 2rl5A1 ARG 842 HD2 0.00 0.04 -0.00 -0.04 3.22 3.22 2rl5A1 ARG 842 HD3 0.01 -0.00 -0.05 -0.04 3.22 3.14 2rl5A1 GLY 846 HA2 -0.01 -0.14 0.22 -0.51 4.01 3.57 2rl5A1 GLY 846 HA3 -0.00 -0.06 0.21 -0.51 4.01 3.65 2rl5A1 GLN 847 H 0.01 0.20 0.17 -0.55 8.47 8.30 2rl5A1 GLN 847 HA 0.03 0.02 0.70 -0.75 4.36 4.36 2rl5A1 GLN 847 HB2 0.02 0.02 -0.01 -0.04 2.15 2.14 2rl5A1 GLN 847 HB3 0.01 0.07 -0.01 -0.04 2.02 2.06 2rl5A1 GLN 847 HG2 0.00 0.00 -0.32 -0.04 2.40 2.04 2rl5A1 GLN 847 HG3 0.01 -0.04 0.00 -0.04 2.39 2.31 2rl5A1 GLN 847 HE21 -0.00 -0.06 -0.10 -0.04 6.97 6.77 2rl5A1 GLN 847 HE22 -0.01 0.14 -0.31 -0.04 7.69 7.47 2rl5A1 VAL 848 H 0.06 0.53 0.33 -0.55 8.24 8.62 2rl5A1 VAL 848 HA 0.04 0.33 0.97 -0.75 4.13 4.72 2rl5A1 VAL 848 HB 0.11 -0.08 0.08 -0.04 2.12 2.20 2rl5A1 VAL 848 HG13 0.09 -0.01 -0.21 -0.04 0.97 0.80 2rl5A1 VAL 848 HG23 0.08 -0.00 -0.10 -0.04 0.95 0.89 2rl5A1 ILE 849 H 0.04 0.79 0.43 -0.55 8.25 8.96 2rl5A1 ILE 849 HA 0.03 0.03 1.03 -0.75 4.18 4.52 2rl5A1 ILE 849 HB 0.02 -0.00 0.04 -0.04 1.89 1.91 2rl5A1 ILE 849 HG12 0.02 -0.03 -0.15 -0.04 1.49 1.28 2rl5A1 ILE 849 HG13 0.02 -0.04 -0.51 -0.04 1.21 0.64 2rl5A1 ILE 849 HG23 0.00 0.07 -0.26 -0.04 0.93 0.70 2rl5A1 ILE 849 HD13 0.01 0.00 -0.12 -0.04 0.88 0.73 2rl5A1 GLU 850 H 0.00 0.69 0.21 -0.55 8.60 8.96 2rl5A1 GLU 850 HA -0.07 0.16 0.74 -0.75 4.29 4.36 2rl5A1 GLU 850 HB2 -0.03 0.03 0.09 -0.04 2.09 2.14 2rl5A1 GLU 850 HB3 -0.09 -0.10 0.10 -0.04 1.99 1.86 2rl5A1 GLU 850 HG2 -0.39 0.01 0.06 -0.04 2.34 1.98 2rl5A1 GLU 850 HG3 -0.73 -0.00 0.06 -0.04 2.34 1.63 2rl5A1 ALA 851 H -0.16 0.52 0.38 -0.55 8.40 8.60 2rl5A1 ALA 851 HA -0.05 0.18 0.59 -0.75 4.34 4.31 2rl5A1 ALA 851 HB3 -0.00 -0.01 -0.30 -0.04 1.41 1.06 2rl5A1 ASP 852 H -0.00 0.32 0.15 -0.55 8.40 8.33 2rl5A1 ASP 852 HA -0.02 0.26 1.00 -0.75 4.63 5.11 2rl5A1 ASP 852 HB2 0.01 0.01 0.11 -0.04 2.71 2.80 2rl5A1 ASP 852 HB3 0.03 0.00 -0.04 -0.04 2.70 2.65 2rl5A1 ALA 853 H 0.04 0.60 0.31 -0.55 8.40 8.80 2rl5A1 ALA 853 HA 0.22 0.38 1.05 -0.75 4.34 5.24 2rl5A1 ALA 853 HB3 -0.08 -0.00 -0.11 -0.04 1.41 1.17 2rl5A1 PHE 854 H 0.48 0.69 0.22 -0.55 8.34 9.17 2rl5A1 PHE 854 HA 0.08 0.18 0.99 -0.75 4.62 5.11 2rl5A1 PHE 854 HB2 0.06 -0.04 0.03 -0.04 3.15 3.16 2rl5A1 PHE 854 HB3 0.08 -0.00 0.23 -0.04 3.06 3.32 2rl5A1 PHE 854 HD2 0.02 -0.01 0.01 -0.04 7.28 7.26 2rl5A1 PHE 854 HE2 0.01 -0.06 -0.04 -0.04 7.38 7.25 2rl5A1 PHE 854 HZ 0.01 -0.05 -0.02 -0.04 7.32 7.22 2rl5A1 GLY 855 H -0.13 0.73 0.29 -0.55 8.43 8.77 2rl5A1 GLY 855 HA2 -0.15 0.06 0.43 -0.51 4.01 3.84 2rl5A1 GLY 855 HA3 -0.30 -0.02 0.43 -0.51 4.01 3.61 2rl5A1 ILE 856 H -0.02 0.07 -0.17 -0.55 8.25 7.58 2rl5A1 ILE 856 HA 0.12 0.23 0.58 -0.75 4.18 4.35 2rl5A1 ILE 856 HB -0.41 -0.04 -0.19 -0.04 1.89 1.20 2rl5A1 ILE 856 HG12 -0.22 0.07 -0.10 -0.04 1.49 1.20 2rl5A1 ILE 856 HG13 -0.64 0.07 -0.03 -0.04 1.21 0.57 2rl5A1 ILE 856 HG23 -0.11 -0.02 -0.25 -0.04 0.93 0.51 2rl5A1 ILE 856 HD13 -0.65 -0.02 -0.27 -0.04 0.88 -0.10 2rl5A1 ASP 857 H -0.05 0.12 -0.03 -0.55 8.40 7.90 2rl5A1 ASP 857 HA -0.06 0.27 0.68 -0.75 4.63 4.77 2rl5A1 ASP 857 HB2 -0.05 -0.04 0.02 -0.04 2.71 2.60 2rl5A1 ASP 857 HB3 -0.05 0.15 -0.12 -0.04 2.70 2.64 2rl5A1 LYS 858 H -0.06 0.22 0.04 -0.55 8.42 8.06 2rl5A1 LYS 858 HA -0.05 0.17 0.66 -0.75 4.32 4.34 2rl5A1 LYS 858 HB2 -0.05 0.01 0.14 -0.04 1.87 1.93 2rl5A1 LYS 858 HB3 -0.04 -0.00 0.19 -0.04 1.79 1.90 2rl5A1 LYS 858 HG2 -0.05 0.03 -0.06 -0.04 1.46 1.34 2rl5A1 LYS 858 HG3 -0.06 0.03 -0.07 -0.04 1.46 1.32 2rl5A1 LYS 858 HD2 -0.06 0.00 0.02 -0.04 1.69 1.62 2rl5A1 LYS 858 HD3 -0.05 -0.03 0.02 -0.04 1.68 1.59 2rl5A1 LYS 858 HE2 -0.05 -0.00 -0.02 -0.04 2.99 2.88 2rl5A1 LYS 858 HE3 -0.06 0.06 -0.02 -0.04 2.99 2.93 2rl5A1 THR 859 H -0.04 0.16 -0.59 -0.55 8.28 7.27 2rl5A1 THR 859 HA -0.03 0.23 0.88 -0.75 4.39 4.72 2rl5A1 THR 859 HB -0.02 0.01 0.10 -0.04 4.32 4.37 2rl5A1 THR 859 HG23 -0.04 -0.01 -0.21 -0.04 1.22 0.93 2rl5A1 ALA 860 H -0.04 0.21 -0.01 -0.55 8.40 8.02 2rl5A1 ALA 860 HA -0.02 0.01 0.41 -0.75 4.34 3.99 2rl5A1 ALA 860 HB3 -0.00 0.08 0.07 -0.04 1.41 1.52 2rl5A1 THR 861 H -0.02 0.15 0.17 -0.55 8.28 8.03 2rl5A1 THR 861 HA -0.16 0.11 0.55 -0.75 4.39 4.13 2rl5A1 THR 861 HB -0.07 0.03 0.08 -0.04 4.32 4.32 2rl5A1 THR 861 HG23 -0.07 0.01 0.05 -0.04 1.22 1.17 2rl5A1 CYS 862 H 0.03 0.13 -0.06 -0.55 8.50 8.05 2rl5A1 CYS 862 HA 0.13 0.37 1.01 -0.75 4.58 5.33 2rl5A1 CYS 862 HB2 0.16 -0.03 -0.11 -0.04 2.97 2.95 2rl5A1 CYS 862 HB3 0.07 -0.04 0.01 -0.04 2.97 2.97 2rl5A1 ARG 863 H 0.05 0.39 0.27 -0.55 8.46 8.62 2rl5A1 ARG 863 HA 0.01 0.05 0.68 -0.75 4.34 4.34 2rl5A1 ARG 863 HB2 0.00 0.07 -0.15 -0.04 1.90 1.78 2rl5A1 ARG 863 HB3 -0.00 -0.03 -0.15 -0.04 1.80 1.58 2rl5A1 ARG 863 HG2 0.00 0.13 -0.45 -0.04 1.67 1.31 2rl5A1 ARG 863 HG3 0.02 -0.06 0.08 -0.04 1.67 1.67 2rl5A1 ARG 863 HD2 -0.01 -0.05 -0.10 -0.04 3.22 3.03 2rl5A1 ARG 863 HD3 -0.02 -0.02 -0.15 -0.04 3.22 2.98 2rl5A1 THR 864 H 0.00 0.10 0.20 -0.55 8.28 8.03 2rl5A1 THR 864 HA -0.10 0.26 0.84 -0.75 4.39 4.63 2rl5A1 THR 864 HB -0.03 -0.06 0.12 -0.04 4.32 4.30 2rl5A1 THR 864 HG23 -0.73 0.03 0.03 -0.04 1.22 0.51 2rl5A1 VAL 865 H -0.13 0.65 0.40 -0.55 8.24 8.61 2rl5A1 VAL 865 HA 0.09 0.06 0.70 -0.75 4.13 4.22 2rl5A1 VAL 865 HB -0.00 0.20 0.03 -0.04 2.12 2.31 2rl5A1 VAL 865 HG13 -0.04 -0.02 -0.41 -0.04 0.97 0.47 2rl5A1 VAL 865 HG23 -0.03 -0.01 -0.43 -0.04 0.95 0.44 2rl5A1 ALA 866 H 0.08 0.64 0.08 -0.55 8.40 8.65 2rl5A1 ALA 866 HA 0.09 0.22 0.91 -0.75 4.34 4.81 2rl5A1 ALA 866 HB3 0.16 -0.02 -0.04 -0.04 1.41 1.47 2rl5A1 VAL 867 H 0.04 0.74 0.31 -0.55 8.24 8.78 2rl5A1 VAL 867 HA 0.02 0.38 1.21 -0.75 4.13 4.99 2rl5A1 VAL 867 HB 0.02 -0.02 0.01 -0.04 2.12 2.08 2rl5A1 VAL 867 HG13 0.03 -0.01 -0.32 -0.04 0.97 0.63 2rl5A1 VAL 867 HG23 0.02 -0.01 -0.36 -0.04 0.95 0.56 2rl5A1 LYS 868 H 0.01 0.76 0.36 -0.55 8.42 8.99 2rl5A1 LYS 868 HA 0.01 0.34 1.03 -0.75 4.32 4.95 2rl5A1 LYS 868 HB2 -0.00 -0.03 -0.02 -0.04 1.87 1.78 2rl5A1 LYS 868 HB3 -0.01 -0.04 0.16 -0.04 1.79 1.86 2rl5A1 LYS 868 HG2 -0.01 -0.01 -0.18 -0.04 1.46 1.22 2rl5A1 LYS 868 HG3 0.01 -0.04 -0.12 -0.04 1.46 1.27 2rl5A1 LYS 868 HD2 -0.02 -0.01 -0.08 -0.04 1.69 1.54 2rl5A1 LYS 868 HD3 -0.03 -0.02 -0.07 -0.04 1.68 1.53 2rl5A1 LYS 868 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.86 2rl5A1 LYS 868 HE3 0.01 -0.00 -0.10 -0.04 2.99 2.87 2rl5A1 MET 869 H 0.00 0.55 0.33 -0.55 8.47 8.80 2rl5A1 MET 869 HA -0.02 0.23 0.95 -0.75 4.52 4.92 2rl5A1 MET 869 HB2 -0.02 0.04 0.08 -0.04 2.15 2.21 2rl5A1 MET 869 HB3 -0.00 -0.03 -0.13 -0.04 2.03 1.83 2rl5A1 MET 869 HG2 0.00 0.04 -0.03 -0.04 2.63 2.60 2rl5A1 MET 869 HG3 -0.01 0.04 -0.18 -0.04 2.56 2.37 2rl5A1 MET 869 HE3 -0.01 -0.00 -0.07 -0.04 2.10 1.98 2rl5A1 LEU 870 H -0.06 0.23 0.22 -0.55 8.37 8.21 2rl5A1 LEU 870 HA -0.04 0.02 0.50 -0.75 4.35 4.08 2rl5A1 LEU 870 HB2 -0.11 -0.03 0.18 -0.04 1.64 1.63 2rl5A1 LEU 870 HB3 -0.08 0.03 0.03 -0.04 1.64 1.57 2rl5A1 LEU 870 HG -0.13 0.03 0.10 -0.04 1.64 1.59 2rl5A1 LEU 870 HD13 -0.39 -0.02 0.05 -0.04 0.93 0.53 2rl5A1 LEU 870 HD23 -0.05 0.01 -0.10 -0.04 0.89 0.71 2rl5A1 LYS 871 H -0.02 0.05 0.12 -0.55 8.42 8.01 2rl5A1 LYS 871 HA -0.01 0.12 0.33 -0.75 4.32 4.01 2rl5A1 LYS 871 HB2 -0.01 -0.03 -0.01 -0.04 1.87 1.78 2rl5A1 LYS 871 HB3 -0.01 -0.06 0.11 -0.04 1.79 1.80 2rl5A1 LYS 871 HG2 -0.00 0.04 -0.08 -0.04 1.46 1.37 2rl5A1 LYS 871 HG3 -0.01 -0.01 0.03 -0.04 1.46 1.43 2rl5A1 LYS 871 HD2 -0.00 -0.05 0.04 -0.04 1.69 1.64 2rl5A1 LYS 871 HD3 -0.00 -0.04 0.01 -0.04 1.68 1.61 2rl5A1 LYS 871 HE2 0.00 -0.03 -0.10 -0.04 2.99 2.82 2rl5A1 LYS 871 HE3 0.00 0.24 -0.03 -0.04 2.99 3.16 2rl5A1 GLU 872 H -0.01 0.11 0.08 -0.55 8.60 8.24 2rl5A1 GLU 872 HA -0.01 0.07 0.50 -0.75 4.29 4.09 2rl5A1 GLU 872 HB2 -0.00 0.01 0.11 -0.04 2.09 2.17 2rl5A1 GLU 872 HB3 -0.00 0.01 0.08 -0.04 1.99 2.03 2rl5A1 GLU 872 HG2 -0.00 -0.01 -0.04 -0.04 2.34 2.24 2rl5A1 GLU 872 HG3 -0.01 0.02 0.03 -0.04 2.34 2.34 2rl5A1 GLY 873 H -0.01 0.12 0.14 -0.55 8.43 8.13 2rl5A1 GLY 873 HA2 0.00 0.01 0.34 -0.51 4.01 3.85 2rl5A1 GLY 873 HA3 0.00 0.01 0.33 -0.51 4.01 3.85 2rl5A1 ALA 874 H -0.01 0.12 -0.06 -0.55 8.40 7.90 2rl5A1 ALA 874 HA 0.00 0.16 0.72 -0.75 4.34 4.47 2rl5A1 ALA 874 HB3 -0.02 -0.01 -0.03 -0.04 1.41 1.31 2rl5A1 THR 875 H 0.02 0.13 0.16 -0.55 8.28 8.04 2rl5A1 THR 875 HA 0.06 0.16 0.38 -0.75 4.39 4.24 2rl5A1 THR 875 HB 0.06 -0.05 0.20 -0.04 4.32 4.49 2rl5A1 THR 875 HG23 0.03 0.06 0.11 -0.04 1.22 1.38 2rl5A1 HIS 876 H 0.16 0.21 0.21 -0.55 8.41 8.44 2rl5A1 HIS 876 HA 0.09 0.16 0.51 -0.75 4.63 4.63 2rl5A1 HIS 876 HB2 0.02 0.08 0.15 -0.04 3.26 3.47 2rl5A1 HIS 876 HB3 0.01 -0.02 0.15 -0.04 3.20 3.30 2rl5A1 HIS 876 HD2 -0.00 -0.02 -0.18 -0.04 6.97 6.72 2rl5A1 HIS 876 HE1 -0.07 0.05 -0.01 -0.04 7.75 7.68 2rl5A1 SER 877 H 0.09 0.06 -0.14 -0.55 8.46 7.93 2rl5A1 SER 877 HA -0.02 0.13 0.44 -0.75 4.49 4.29 2rl5A1 SER 877 HB2 0.06 0.01 0.10 -0.04 3.95 4.09 2rl5A1 SER 877 HB3 0.03 0.00 0.03 -0.04 3.93 3.95 2rl5A1 GLU 878 H 0.02 0.06 -0.33 -0.55 8.60 7.81 2rl5A1 GLU 878 HA -0.01 0.12 0.47 -0.75 4.29 4.13 2rl5A1 GLU 878 HB2 0.01 0.08 0.05 -0.04 2.09 2.19 2rl5A1 GLU 878 HB3 -0.00 0.07 0.03 -0.04 1.99 2.04 2rl5A1 GLU 878 HG2 0.00 0.12 0.05 -0.04 2.34 2.47 2rl5A1 GLU 878 HG3 0.01 -0.10 0.02 -0.04 2.34 2.22 2rl5A1 HIS 879 H 0.05 0.30 -0.35 -0.55 8.41 7.87 2rl5A1 HIS 879 HA -0.06 0.04 0.43 -0.75 4.63 4.29 2rl5A1 HIS 879 HB2 -0.05 0.09 0.10 -0.04 3.26 3.36 2rl5A1 HIS 879 HB3 -0.19 0.11 0.16 -0.04 3.20 3.25 2rl5A1 HIS 879 HD2 0.00 -0.01 0.02 -0.04 6.97 6.94 2rl5A1 HIS 879 HE1 -0.05 0.05 0.03 -0.04 7.75 7.74 2rl5A1 ARG 880 H -0.15 0.48 -0.14 -0.55 8.46 8.09 2rl5A1 ARG 880 HA -0.15 0.06 0.41 -0.75 4.34 3.91 2rl5A1 ARG 880 HB2 -0.12 0.11 0.16 -0.04 1.90 2.01 2rl5A1 ARG 880 HB3 -0.08 -0.07 0.00 -0.04 1.80 1.61 2rl5A1 ARG 880 HG2 -0.22 -0.01 0.02 -0.04 1.67 1.42 2rl5A1 ARG 880 HG3 -0.64 0.10 0.09 -0.04 1.67 1.18 2rl5A1 ARG 880 HD2 0.02 -0.02 -0.04 -0.04 3.22 3.15 2rl5A1 ARG 880 HD3 -0.14 -0.05 -0.05 -0.04 3.22 2.94 2rl5A1 ALA 881 H -0.04 0.40 -0.29 -0.55 8.40 7.92 2rl5A1 ALA 881 HA -0.04 -0.01 0.38 -0.75 4.34 3.92 2rl5A1 ALA 881 HB3 -0.03 0.05 0.11 -0.04 1.41 1.50 2rl5A1 LEU 882 H -0.01 0.48 -0.14 -0.55 8.37 8.16 2rl5A1 LEU 882 HA -0.03 0.07 0.46 -0.75 4.35 4.10 2rl5A1 LEU 882 HB2 -0.02 0.04 0.07 -0.04 1.64 1.69 2rl5A1 LEU 882 HB3 -0.00 0.06 0.10 -0.04 1.64 1.76 2rl5A1 LEU 882 HG -0.03 -0.02 -0.23 -0.04 1.64 1.32 2rl5A1 LEU 882 HD13 -0.03 -0.00 -0.02 -0.04 0.93 0.83 2rl5A1 LEU 882 HD23 -0.04 0.03 -0.15 -0.04 0.89 0.69 2rl5A1 MET 883 H 0.01 0.49 -0.15 -0.55 8.47 8.27 2rl5A1 MET 883 HA -0.05 0.02 0.42 -0.75 4.52 4.16 2rl5A1 MET 883 HB2 0.01 0.01 0.12 -0.04 2.15 2.26 2rl5A1 MET 883 HB3 -0.05 0.06 0.17 -0.04 2.03 2.16 2rl5A1 MET 883 HG2 -0.09 0.04 0.05 -0.04 2.63 2.58 2rl5A1 MET 883 HG3 -0.07 -0.02 -0.07 -0.04 2.56 2.35 2rl5A1 MET 883 HE3 -0.11 -0.01 0.00 -0.04 2.10 1.95 2rl5A1 SER 884 H -0.04 0.52 -0.29 -0.55 8.46 8.10 2rl5A1 SER 884 HA -0.05 -0.02 0.25 -0.75 4.49 3.93 2rl5A1 SER 884 HB2 -0.04 -0.04 0.09 -0.04 3.95 3.92 2rl5A1 SER 884 HB3 -0.05 0.22 0.14 -0.04 3.93 4.20 2rl5A1 GLU 885 H -0.05 0.41 -0.25 -0.55 8.60 8.16 2rl5A1 GLU 885 HA -0.06 0.02 0.39 -0.75 4.29 3.88 2rl5A1 GLU 885 HB2 -0.05 0.08 0.13 -0.04 2.09 2.21 2rl5A1 GLU 885 HB3 -0.06 0.12 0.10 -0.04 1.99 2.11 2rl5A1 GLU 885 HG2 -0.07 -0.02 -0.11 -0.04 2.34 2.09 2rl5A1 GLU 885 HG3 -0.07 -0.03 0.02 -0.04 2.34 2.22 2rl5A1 LEU 886 H -0.07 0.44 -0.22 -0.55 8.37 7.97 2rl5A1 LEU 886 HA -0.12 0.02 0.39 -0.75 4.35 3.89 2rl5A1 LEU 886 HB2 -0.09 -0.01 0.05 -0.04 1.64 1.55 2rl5A1 LEU 886 HB3 -0.09 0.12 0.12 -0.04 1.64 1.75 2rl5A1 LEU 886 HG -0.13 0.03 -0.35 -0.04 1.64 1.15 2rl5A1 LEU 886 HD13 -0.20 -0.02 -0.04 -0.04 0.93 0.63 2rl5A1 LEU 886 HD23 -0.12 -0.01 -0.10 -0.04 0.89 0.62 2rl5A1 LYS 887 H -0.07 0.49 -0.24 -0.55 8.42 8.04 2rl5A1 LYS 887 HA -0.05 0.01 0.35 -0.75 4.32 3.88 2rl5A1 LYS 887 HB2 -0.04 -0.01 -0.02 -0.04 1.87 1.76 2rl5A1 LYS 887 HB3 -0.02 -0.02 0.01 -0.04 1.79 1.72 2rl5A1 LYS 887 HG2 -0.06 0.21 0.05 -0.04 1.46 1.62 2rl5A1 LYS 887 HG3 -0.03 0.14 -0.02 -0.04 1.46 1.52 2rl5A1 LYS 887 HD2 0.04 0.06 -0.12 -0.04 1.69 1.62 2rl5A1 LYS 887 HD3 0.02 -0.12 -0.09 -0.04 1.68 1.45 2rl5A1 LYS 887 HE2 0.08 -0.14 -0.17 -0.04 2.99 2.72 2rl5A1 LYS 887 HE3 -0.12 -0.08 -0.07 -0.04 2.99 2.69 2rl5A1 ILE 888 H -0.05 0.50 -0.28 -0.55 8.25 7.87 2rl5A1 ILE 888 HA 0.04 0.04 0.44 -0.75 4.18 3.94 2rl5A1 ILE 888 HB -0.04 0.08 0.15 -0.04 1.89 2.04 2rl5A1 ILE 888 HG12 -0.03 -0.00 0.01 -0.04 1.49 1.42 2rl5A1 ILE 888 HG13 -0.04 0.08 0.03 -0.04 1.21 1.23 2rl5A1 ILE 888 HG23 -0.01 -0.01 -0.15 -0.04 0.93 0.72 2rl5A1 ILE 888 HD13 -0.06 -0.03 -0.07 -0.04 0.88 0.68 2rl5A1 LEU 889 H -0.07 0.57 -0.14 -0.55 8.37 8.18 2rl5A1 LEU 889 HA -0.04 0.01 0.39 -0.75 4.35 3.96 2rl5A1 LEU 889 HB2 -0.15 0.10 0.16 -0.04 1.64 1.71 2rl5A1 LEU 889 HB3 -0.13 -0.04 -0.02 -0.04 1.64 1.41 2rl5A1 LEU 889 HG -0.07 0.07 0.03 -0.04 1.64 1.63 2rl5A1 LEU 889 HD13 -0.08 -0.03 -0.09 -0.04 0.93 0.68 2rl5A1 LEU 889 HD23 -0.04 -0.01 -0.03 -0.04 0.89 0.77 2rl5A1 ILE 890 H -0.18 0.55 -0.18 -0.55 8.25 7.89 2rl5A1 ILE 890 HA -0.32 -0.01 0.36 -0.75 4.18 3.45 2rl5A1 ILE 890 HB -0.12 0.11 0.13 -0.04 1.89 1.97 2rl5A1 ILE 890 HG12 -1.58 -0.05 -0.04 -0.04 1.49 -0.22 2rl5A1 ILE 890 HG13 -0.55 0.19 0.02 -0.04 1.21 0.82 2rl5A1 ILE 890 HG23 0.07 -0.03 -0.13 -0.04 0.93 0.80 2rl5A1 ILE 890 HD13 -0.25 -0.05 -0.12 -0.04 0.88 0.42 2rl5A1 HIS 891 H 0.08 0.57 -0.17 -0.55 8.41 8.34 2rl5A1 HIS 891 HA 0.03 -0.04 0.39 -0.75 4.63 4.25 2rl5A1 HIS 891 HB2 -0.01 -0.06 0.10 -0.04 3.26 3.26 2rl5A1 HIS 891 HB3 -0.03 0.08 0.21 -0.04 3.20 3.43 2rl5A1 HIS 891 HD2 -0.04 -0.03 -0.08 -0.04 6.97 6.78 2rl5A1 HIS 891 HE1 -0.01 -0.07 -0.00 -0.04 7.75 7.63 2rl5A1 ILE 892 H -0.01 0.57 -0.12 -0.55 8.25 8.15 2rl5A1 ILE 892 HA -0.28 -0.02 0.40 -0.75 4.18 3.51 2rl5A1 ILE 892 HB 0.02 0.11 0.14 -0.04 1.89 2.12 2rl5A1 ILE 892 HG12 -0.05 -0.07 -0.01 -0.04 1.49 1.32 2rl5A1 ILE 892 HG13 0.02 0.23 0.06 -0.04 1.21 1.48 2rl5A1 ILE 892 HG23 0.09 -0.02 -0.18 -0.04 0.93 0.78 2rl5A1 ILE 892 HD13 -0.01 -0.06 -0.11 -0.04 0.88 0.66 2rl5A1 GLY 893 H 0.06 0.39 -0.21 -0.55 8.43 8.12 2rl5A1 GLY 893 HA2 0.19 0.02 0.30 -0.51 4.01 4.01 2rl5A1 GLY 893 HA3 0.22 0.13 0.69 -0.51 4.01 4.54 2rl5A1 HIS 894 H 0.25 0.09 0.15 -0.55 8.41 8.35 2rl5A1 HIS 894 HA 0.04 0.17 0.76 -0.75 4.63 4.85 2rl5A1 HIS 894 HB2 0.08 0.04 0.06 -0.04 3.26 3.41 2rl5A1 HIS 894 HB3 0.02 -0.02 0.14 -0.04 3.20 3.30 2rl5A1 HIS 894 HD2 -0.10 -0.02 -0.14 -0.04 6.97 6.67 2rl5A1 HIS 894 HE1 -0.06 -0.01 -0.13 -0.04 7.75 7.51 2rl5A1 HIS 895 H -0.45 0.39 0.18 -0.55 8.41 7.98 2rl5A1 HIS 895 HA -0.81 0.08 0.53 -0.75 4.63 3.67 2rl5A1 HIS 895 HB2 -1.80 0.20 -0.19 -0.04 3.26 1.44 2rl5A1 HIS 895 HB3 -0.51 -0.01 -0.05 -0.04 3.20 2.59 2rl5A1 HIS 895 HD2 -0.77 0.09 0.04 -0.04 6.97 6.28 2rl5A1 HIS 895 HE1 -0.18 0.03 -0.10 -0.04 7.75 7.46 2rl5A1 LEU 896 H -0.91 0.17 0.11 -0.55 8.37 7.20 2rl5A1 LEU 896 HA -0.17 0.09 0.38 -0.75 4.35 3.90 2rl5A1 LEU 896 HB2 -0.24 0.01 0.12 -0.04 1.64 1.48 2rl5A1 LEU 896 HB3 -0.30 -0.02 0.09 -0.04 1.64 1.37 2rl5A1 LEU 896 HG -0.06 0.04 -0.16 -0.04 1.64 1.42 2rl5A1 LEU 896 HD13 -0.03 0.00 0.04 -0.04 0.93 0.90 2rl5A1 LEU 896 HD23 -0.07 0.00 -0.01 -0.04 0.89 0.76 2rl5A1 ASN 897 H 0.61 0.03 -0.30 -0.55 8.53 8.32 2rl5A1 ASN 897 HA 0.00 0.43 0.95 -0.75 4.76 5.38 2rl5A1 ASN 897 HB2 -0.00 -0.07 0.08 -0.04 2.88 2.84 2rl5A1 ASN 897 HB3 -0.02 -0.02 0.17 -0.04 2.79 2.87 2rl5A1 ASN 897 HD21 -0.01 -0.08 -0.01 -0.04 7.03 6.88 2rl5A1 ASN 897 HD22 -0.00 0.53 0.10 -0.04 7.74 8.32 2rl5A1 VAL 898 H -0.01 0.57 -0.42 -0.55 8.24 7.83 2rl5A1 VAL 898 HA -0.02 0.05 0.90 -0.75 4.13 4.31 2rl5A1 VAL 898 HB -0.01 0.03 0.06 -0.04 2.12 2.16 2rl5A1 VAL 898 HG13 0.03 0.06 -0.09 -0.04 0.97 0.93 2rl5A1 VAL 898 HG23 -0.01 -0.05 -0.19 -0.04 0.95 0.66 2rl5A1 VAL 899 H -0.03 0.43 0.02 -0.55 8.24 8.11 2rl5A1 VAL 899 HA -0.02 -0.08 0.26 -0.75 4.13 3.54 2rl5A1 VAL 899 HB -0.06 -0.01 -0.07 -0.04 2.12 1.93 2rl5A1 VAL 899 HG13 -0.05 0.01 -0.02 -0.04 0.97 0.87 2rl5A1 VAL 899 HG23 -0.04 -0.01 -0.15 -0.04 0.95 0.71 2rl5A1 ASN 900 H 0.02 -0.01 0.16 -0.55 8.53 8.16 2rl5A1 ASN 900 HA 0.09 0.18 0.61 -0.75 4.76 4.88 2rl5A1 ASN 900 HB2 0.07 -0.16 0.11 -0.04 2.88 2.86 2rl5A1 ASN 900 HB3 0.14 0.11 -0.04 -0.04 2.79 2.95 2rl5A1 ASN 900 HD21 0.15 -0.01 -0.03 -0.04 7.03 7.10 2rl5A1 ASN 900 HD22 0.11 -0.05 -0.01 -0.04 7.74 7.74 2rl5A1 LEU 901 H 0.10 0.21 0.18 -0.55 8.37 8.31 2rl5A1 LEU 901 HA 0.02 0.09 0.69 -0.75 4.35 4.41 2rl5A1 LEU 901 HB2 -0.10 0.01 0.04 -0.04 1.64 1.55 2rl5A1 LEU 901 HB3 -0.06 0.02 0.08 -0.04 1.64 1.64 2rl5A1 LEU 901 HG -0.08 0.01 -0.28 -0.04 1.64 1.25 2rl5A1 LEU 901 HD13 -0.10 0.04 0.04 -0.04 0.93 0.87 2rl5A1 LEU 901 HD23 -0.93 -0.01 -0.14 -0.04 0.89 -0.23 2rl5A1 LEU 902 H 0.08 0.72 0.42 -0.55 8.37 9.05 2rl5A1 LEU 902 HA 0.17 0.15 0.84 -0.75 4.35 4.75 2rl5A1 LEU 902 HB2 -0.02 0.01 -0.17 -0.04 1.64 1.41 2rl5A1 LEU 902 HB3 -0.05 -0.00 -0.12 -0.04 1.64 1.43 2rl5A1 LEU 902 HG 0.04 -0.01 -0.33 -0.04 1.64 1.29 2rl5A1 LEU 902 HD13 -0.02 -0.02 -0.28 -0.04 0.93 0.57 2rl5A1 LEU 902 HD23 0.03 0.01 -0.23 -0.04 0.89 0.66 2rl5A1 GLY 903 H 0.13 0.34 0.31 -0.55 8.43 8.67 2rl5A1 GLY 903 HA2 0.56 0.08 0.41 -0.51 4.01 4.55 2rl5A1 GLY 903 HA3 0.18 0.14 0.45 -0.51 4.01 4.26 2rl5A1 ALA 904 H 0.30 0.71 0.28 -0.55 8.40 9.14 2rl5A1 ALA 904 HA 0.11 0.21 0.77 -0.75 4.34 4.67 2rl5A1 ALA 904 HB3 0.13 -0.01 -0.08 -0.04 1.41 1.41 2rl5A1 CYS 905 H 0.09 0.57 0.28 -0.55 8.50 8.89 2rl5A1 CYS 905 HA 0.14 0.08 0.95 -0.75 4.58 4.99 2rl5A1 CYS 905 HB2 0.07 0.01 0.25 -0.04 2.97 3.26 2rl5A1 CYS 905 HB3 0.08 0.00 0.08 -0.04 2.97 3.09 2rl5A1 THR 906 H 0.10 0.05 0.09 -0.55 8.28 7.97 2rl5A1 THR 906 HA -0.00 0.22 1.01 -0.75 4.39 4.86 2rl5A1 THR 906 HB -0.14 0.02 0.02 -0.04 4.32 4.18 2rl5A1 THR 906 HG23 -0.24 -0.00 -0.22 -0.04 1.22 0.72 2rl5A1 LYS 907 H 0.08 -0.06 0.10 -0.55 8.42 7.98 2rl5A1 LYS 907 HA 0.05 0.10 0.49 -0.75 4.32 4.19 2rl5A1 LYS 907 HB2 0.06 -0.03 0.09 -0.04 1.87 1.95 2rl5A1 LYS 907 HB3 0.05 0.09 0.10 -0.04 1.79 1.98 2rl5A1 LYS 907 HG2 0.08 0.03 0.05 -0.04 1.46 1.58 2rl5A1 LYS 907 HG3 0.12 -0.11 0.07 -0.04 1.46 1.50 2rl5A1 LYS 907 HD2 0.08 0.00 0.01 -0.04 1.69 1.74 2rl5A1 LYS 907 HD3 0.06 0.03 0.02 -0.04 1.68 1.75 2rl5A1 LYS 907 HE2 0.09 0.01 0.02 -0.04 2.99 3.07 2rl5A1 LYS 907 HE3 0.14 -0.05 0.02 -0.04 2.99 3.06 2rl5A1 PRO 908 HA 0.03 0.06 0.44 -0.51 4.44 4.45 2rl5A1 PRO 908 HB2 0.02 0.00 0.04 -0.04 2.28 2.30 2rl5A1 PRO 908 HB3 0.02 0.00 0.11 -0.04 2.02 2.11 2rl5A1 PRO 908 HG2 0.03 0.02 0.09 -0.04 2.03 2.13 2rl5A1 PRO 908 HG3 0.03 0.07 0.11 -0.04 2.03 2.20 2rl5A1 PRO 908 HD2 0.03 0.07 0.20 -0.04 3.68 3.95 2rl5A1 PRO 908 HD3 0.04 0.14 0.24 -0.04 3.65 4.02 2rl5A1 GLY 909 H 0.02 0.12 0.13 -0.55 8.43 8.15 2rl5A1 GLY 909 HA2 0.01 -0.04 0.35 -0.51 4.01 3.82 2rl5A1 GLY 909 HA3 0.01 0.21 0.89 -0.51 4.01 4.61 2rl5A1 GLY 910 H 0.01 0.37 -0.02 -0.55 8.43 8.24 2rl5A1 GLY 910 HA2 0.00 0.07 0.54 -0.51 4.01 4.12 2rl5A1 GLY 910 HA3 0.01 0.06 0.29 -0.51 4.01 3.86 2rl5A1 PRO 911 HA -0.05 0.03 0.55 -0.51 4.44 4.46 2rl5A1 PRO 911 HB2 -0.04 0.11 0.04 -0.04 2.28 2.35 2rl5A1 PRO 911 HB3 -0.03 -0.01 0.09 -0.04 2.02 2.03 2rl5A1 PRO 911 HG2 -0.00 0.05 -0.04 -0.04 2.03 2.00 2rl5A1 PRO 911 HG3 -0.01 0.04 0.02 -0.04 2.03 2.04 2rl5A1 PRO 911 HD2 0.00 0.10 0.19 -0.04 3.68 3.93 2rl5A1 PRO 911 HD3 -0.01 0.10 0.14 -0.04 3.65 3.84 2rl5A1 LEU 912 H -0.12 0.01 0.21 -0.55 8.37 7.93 2rl5A1 LEU 912 HA -0.02 0.34 0.68 -0.75 4.35 4.60 2rl5A1 LEU 912 HB2 -0.09 0.02 0.18 -0.04 1.64 1.71 2rl5A1 LEU 912 HB3 -0.15 -0.13 0.22 -0.04 1.64 1.54 2rl5A1 LEU 912 HG -0.03 0.01 -0.27 -0.04 1.64 1.31 2rl5A1 LEU 912 HD13 -0.02 0.05 0.02 -0.04 0.93 0.93 2rl5A1 LEU 912 HD23 0.04 -0.02 -0.06 -0.04 0.89 0.81 2rl5A1 MET 913 H 0.01 0.42 0.33 -0.55 8.47 8.68 2rl5A1 MET 913 HA -0.00 0.31 1.04 -0.75 4.52 5.11 2rl5A1 MET 913 HB2 0.06 -0.08 0.07 -0.04 2.15 2.16 2rl5A1 MET 913 HB3 0.04 -0.01 -0.15 -0.04 2.03 1.87 2rl5A1 MET 913 HG2 0.01 0.02 -0.21 -0.04 2.63 2.40 2rl5A1 MET 913 HG3 0.01 0.13 -0.65 -0.04 2.56 2.01 2rl5A1 MET 913 HE3 0.06 0.01 -0.05 -0.04 2.10 2.08 2rl5A1 VAL 914 H -0.00 0.79 0.34 -0.55 8.24 8.83 2rl5A1 VAL 914 HA 0.00 0.17 1.01 -0.75 4.13 4.55 2rl5A1 VAL 914 HB -0.02 -0.06 0.19 -0.04 2.12 2.19 2rl5A1 VAL 914 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.79 2rl5A1 VAL 914 HG23 -0.04 0.01 -0.09 -0.04 0.95 0.79 2rl5A1 ILE 915 H 0.02 0.67 0.35 -0.55 8.25 8.74 2rl5A1 ILE 915 HA 0.01 0.30 1.14 -0.75 4.18 4.87 2rl5A1 ILE 915 HB -0.02 -0.07 0.02 -0.04 1.89 1.78 2rl5A1 ILE 915 HG12 0.02 0.00 -0.30 -0.04 1.49 1.17 2rl5A1 ILE 915 HG13 0.04 -0.07 -0.43 -0.04 1.21 0.71 2rl5A1 ILE 915 HG23 -0.08 0.01 -0.24 -0.04 0.93 0.58 2rl5A1 ILE 915 HD13 0.00 -0.00 -0.32 -0.04 0.88 0.52 2rl5A1 THR 916 H 0.02 0.66 0.37 -0.55 8.28 8.78 2rl5A1 THR 916 HA 0.03 0.16 1.16 -0.75 4.39 4.99 2rl5A1 THR 916 HB 0.00 0.04 0.01 -0.04 4.32 4.33 2rl5A1 THR 916 HG23 -0.02 -0.01 -0.26 -0.04 1.22 0.88 2rl5A1 GLU 917 H 0.03 0.44 0.22 -0.55 8.60 8.75 2rl5A1 GLU 917 HA 0.06 0.09 0.48 -0.75 4.29 4.16 2rl5A1 GLU 917 HB2 0.05 0.01 0.10 -0.04 2.09 2.21 2rl5A1 GLU 917 HB3 0.04 0.05 0.11 -0.04 1.99 2.15 2rl5A1 GLU 917 HG2 0.02 -0.05 0.02 -0.04 2.34 2.29 2rl5A1 GLU 917 HG3 0.01 0.01 -0.49 -0.04 2.34 1.84 2rl5A1 PHE 918 H 0.18 0.24 0.17 -0.55 8.34 8.37 2rl5A1 PHE 918 HA -0.00 0.14 0.66 -0.75 4.62 4.66 2rl5A1 PHE 918 HB2 -0.01 -0.04 -0.40 -0.04 3.15 2.66 2rl5A1 PHE 918 HB3 -0.01 0.03 -0.08 -0.04 3.06 2.95 2rl5A1 PHE 918 HD2 -0.01 -0.02 -0.19 -0.04 7.28 7.02 2rl5A1 PHE 918 HE2 -0.03 0.01 -0.09 -0.04 7.38 7.22 2rl5A1 PHE 918 HZ -0.03 0.06 -0.08 -0.04 7.32 7.23 2rl5A1 CYS 919 H -0.51 0.22 -0.05 -0.55 8.50 7.62 2rl5A1 CYS 919 HA -0.20 0.10 0.85 -0.75 4.58 4.58 2rl5A1 CYS 919 HB2 -0.19 -0.01 0.02 -0.04 2.97 2.75 2rl5A1 CYS 919 HB3 -0.13 0.08 -0.38 -0.04 2.97 2.50 2rl5A1 LYS 920 H -0.28 0.15 0.01 -0.55 8.42 7.75 2rl5A1 LYS 920 HA -0.49 0.03 0.26 -0.75 4.32 3.36 2rl5A1 LYS 920 HB2 -0.12 -0.03 0.10 -0.04 1.87 1.78 2rl5A1 LYS 920 HB3 -0.35 -0.00 0.01 -0.04 1.79 1.41 2rl5A1 LYS 920 HG2 -0.75 0.07 -0.19 -0.04 1.46 0.55 2rl5A1 LYS 920 HG3 -0.15 -0.01 0.02 -0.04 1.46 1.28 2rl5A1 LYS 920 HD2 -0.09 -0.03 -0.00 -0.04 1.69 1.52 2rl5A1 LYS 920 HD3 -0.42 -0.01 -0.06 -0.04 1.68 1.15 2rl5A1 LYS 920 HE2 -0.30 0.04 -0.04 -0.04 2.99 2.65 2rl5A1 LYS 920 HE3 -0.10 -0.00 -0.02 -0.04 2.99 2.83 2rl5A1 PHE 921 H 0.04 0.42 -0.10 -0.55 8.34 8.14 2rl5A1 PHE 921 HA -0.07 0.17 0.75 -0.75 4.62 4.72 2rl5A1 PHE 921 HB2 -0.33 0.09 0.01 -0.04 3.15 2.88 2rl5A1 PHE 921 HB3 -0.28 -0.03 0.08 -0.04 3.06 2.79 2rl5A1 PHE 921 HD2 -0.07 0.09 -0.15 -0.04 7.28 7.10 2rl5A1 PHE 921 HE2 0.01 -0.06 -0.11 -0.04 7.38 7.19 2rl5A1 PHE 921 HZ 0.01 -0.04 -0.04 -0.04 7.32 7.21 2rl5A1 GLY 922 H -0.11 0.41 -0.10 -0.55 8.43 8.08 2rl5A1 GLY 922 HA2 -0.01 0.01 0.31 -0.51 4.01 3.81 2rl5A1 GLY 922 HA3 0.02 0.09 0.47 -0.51 4.01 4.08 2rl5A1 ASN 923 H 0.05 0.09 0.18 -0.55 8.53 8.31 2rl5A1 ASN 923 HA 0.07 0.35 0.59 -0.75 4.76 5.02 2rl5A1 ASN 923 HB2 0.07 0.06 0.20 -0.04 2.88 3.17 2rl5A1 ASN 923 HB3 0.04 0.04 0.18 -0.04 2.79 3.01 2rl5A1 ASN 923 HD21 -0.02 0.01 0.07 -0.04 7.03 7.05 2rl5A1 ASN 923 HD22 -0.06 0.07 0.13 -0.04 7.74 7.84 2rl5A1 LEU 924 H 0.01 0.79 0.38 -0.55 8.37 9.01 2rl5A1 LEU 924 HA 0.01 0.07 0.33 -0.75 4.35 4.01 2rl5A1 LEU 924 HB2 -0.08 0.04 -0.01 -0.04 1.64 1.54 2rl5A1 LEU 924 HB3 -0.01 0.01 0.13 -0.04 1.64 1.74 2rl5A1 LEU 924 HG -0.04 -0.03 -0.13 -0.04 1.64 1.40 2rl5A1 LEU 924 HD13 -0.29 -0.00 -0.05 -0.04 0.93 0.54 2rl5A1 LEU 924 HD23 -0.12 -0.01 -0.08 -0.04 0.89 0.64 2rl5A1 SER 925 H 0.04 0.22 -0.27 -0.55 8.46 7.91 2rl5A1 SER 925 HA 0.05 0.05 0.33 -0.75 4.49 4.17 2rl5A1 SER 925 HB2 0.08 -0.17 -0.16 -0.04 3.95 3.66 2rl5A1 SER 925 HB3 0.04 -0.04 -0.03 -0.04 3.93 3.86 2rl5A1 THR 926 H 0.04 0.07 -0.17 -0.55 8.28 7.67 2rl5A1 THR 926 HA 0.02 0.07 0.35 -0.75 4.39 4.07 2rl5A1 THR 926 HB 0.04 0.09 0.08 -0.04 4.32 4.50 2rl5A1 THR 926 HG23 0.03 0.01 -0.10 -0.04 1.22 1.12 2rl5A1 TYR 927 H 0.14 0.37 -0.29 -0.55 8.29 7.96 2rl5A1 TYR 927 HA 0.00 0.04 0.34 -0.75 4.56 4.19 2rl5A1 TYR 927 HB2 0.01 0.16 -0.00 -0.04 3.06 3.19 2rl5A1 TYR 927 HB3 -0.06 -0.00 0.07 -0.04 2.98 2.95 2rl5A1 TYR 927 HD2 -0.01 0.01 -0.08 -0.04 7.15 7.03 2rl5A1 TYR 927 HE2 -0.03 -0.03 -0.07 -0.04 6.85 6.67 2rl5A1 LEU 928 H 0.04 0.67 -0.09 -0.55 8.37 8.44 2rl5A1 LEU 928 HA -0.27 -0.01 0.31 -0.75 4.35 3.63 2rl5A1 LEU 928 HB2 -0.05 0.09 -0.01 -0.04 1.64 1.63 2rl5A1 LEU 928 HB3 -0.14 -0.11 -0.14 -0.04 1.64 1.21 2rl5A1 LEU 928 HG 0.04 0.18 0.06 -0.04 1.64 1.87 2rl5A1 LEU 928 HD13 -0.04 -0.01 0.02 -0.04 0.93 0.85 2rl5A1 LEU 928 HD23 0.05 -0.02 -0.03 -0.04 0.89 0.86 2rl5A1 ARG 929 H -0.07 0.44 -0.24 -0.55 8.46 8.03 2rl5A1 ARG 929 HA -0.10 0.17 0.40 -0.75 4.34 4.05 2rl5A1 ARG 929 HB2 -0.03 0.08 0.11 -0.04 1.90 2.02 2rl5A1 ARG 929 HB3 -0.04 -0.10 0.05 -0.04 1.80 1.67 2rl5A1 ARG 929 HG2 -0.03 0.07 0.04 -0.04 1.67 1.72 2rl5A1 ARG 929 HG3 -0.01 0.05 0.13 -0.04 1.67 1.80 2rl5A1 ARG 929 HD2 0.00 -0.10 0.01 -0.04 3.22 3.10 2rl5A1 ARG 929 HD3 0.03 0.10 0.02 -0.04 3.22 3.33 2rl5A1 SER 930 H -0.18 0.48 -0.50 -0.55 8.46 7.71 2rl5A1 SER 930 HA -0.10 0.02 0.57 -0.75 4.49 4.22 2rl5A1 SER 930 HB2 -0.08 -0.11 0.15 -0.04 3.95 3.87 2rl5A1 SER 930 HB3 -0.08 0.04 0.12 -0.04 3.93 3.96 2rl5A1 LYS 931 H -0.26 0.72 -0.36 -0.55 8.42 7.96 2rl5A1 LYS 931 HA -0.26 0.15 0.91 -0.75 4.32 4.37 2rl5A1 LYS 931 HB2 -0.30 0.07 0.06 -0.04 1.87 1.65 2rl5A1 LYS 931 HB3 -0.28 -0.00 0.16 -0.04 1.79 1.63 2rl5A1 LYS 931 HG2 -0.74 0.22 -0.12 -0.04 1.46 0.78 2rl5A1 LYS 931 HG3 -0.57 -0.10 -0.05 -0.04 1.46 0.70 2rl5A1 LYS 931 HD2 -0.29 0.10 -0.18 -0.04 1.69 1.29 2rl5A1 LYS 931 HD3 -0.47 -0.05 -0.10 -0.04 1.68 1.02 2rl5A1 LYS 931 HE2 -0.16 -0.05 0.03 -0.04 2.99 2.77 2rl5A1 LYS 931 HE3 -0.26 -0.00 0.12 -0.04 2.99 2.81 2rl5A1 ARG 932 H -0.17 0.36 -0.20 -0.55 8.46 7.90 2rl5A1 ARG 932 HA -0.22 0.06 0.33 -0.75 4.34 3.75 2rl5A1 ARG 932 HB2 -0.08 -0.01 0.09 -0.04 1.90 1.86 2rl5A1 ARG 932 HB3 -0.05 -0.05 0.01 -0.04 1.80 1.67 2rl5A1 ARG 932 HG2 -0.12 0.17 0.19 -0.04 1.67 1.87 2rl5A1 ARG 932 HG3 -0.05 -0.06 0.10 -0.04 1.67 1.61 2rl5A1 ARG 932 HD2 -0.02 -0.10 0.04 -0.04 3.22 3.11 2rl5A1 ARG 932 HD3 -0.21 -0.05 0.03 -0.04 3.22 2.95 2rl5A1 ASN 933 H -0.14 0.13 -0.35 -0.55 8.53 7.63 2rl5A1 ASN 933 HA -0.04 0.19 0.79 -0.75 4.76 4.94 2rl5A1 ASN 933 HB2 -0.08 0.03 0.01 -0.04 2.88 2.79 2rl5A1 ASN 933 HB3 -0.03 -0.01 0.16 -0.04 2.79 2.87 2rl5A1 ASN 933 HD21 -0.00 -0.02 -0.08 -0.04 7.03 6.89 2rl5A1 ASN 933 HD22 0.00 0.09 -0.05 -0.04 7.74 7.74 2rl5A1 GLU 934 H -0.28 0.57 -0.53 -0.55 8.60 7.82 2rl5A1 GLU 934 HA -1.69 0.16 0.81 -0.75 4.29 2.81 2rl5A1 GLU 934 HB2 -0.42 0.01 0.17 -0.04 2.09 1.80 2rl5A1 GLU 934 HB3 -0.82 -0.02 0.16 -0.04 1.99 1.27 2rl5A1 GLU 934 HG2 -0.55 0.04 -0.06 -0.04 2.34 1.73 2rl5A1 GLU 934 HG3 -0.34 -0.10 -0.50 -0.04 2.34 1.37 2rl5A1 PHE 935 H -0.09 0.28 -0.14 -0.55 8.34 7.84 2rl5A1 PHE 935 HA -0.10 0.26 0.85 -0.75 4.62 4.88 2rl5A1 PHE 935 HB2 -0.32 0.06 -0.14 -0.04 3.15 2.71 2rl5A1 PHE 935 HB3 -0.28 0.06 -0.04 -0.04 3.06 2.76 2rl5A1 PHE 935 HD2 -0.15 -0.02 -0.31 -0.04 7.28 6.76 2rl5A1 PHE 935 HE2 -0.02 -0.04 -0.30 -0.04 7.38 6.97 2rl5A1 PHE 935 HZ -0.02 -0.02 -0.16 -0.04 7.32 7.08 2rl5A1 VAL 936 H -0.91 0.64 0.23 -0.55 8.24 7.64 2rl5A1 VAL 936 HA -0.25 0.16 0.61 -0.75 4.13 3.90 2rl5A1 VAL 936 HB -0.34 0.02 0.02 -0.04 2.12 1.78 2rl5A1 VAL 936 HG13 -0.09 -0.00 -0.22 -0.04 0.97 0.61 2rl5A1 VAL 936 HG23 -0.48 -0.04 -0.30 -0.04 0.95 0.09 2rl5A1 PRO 937 HA -0.41 -0.10 0.53 -0.51 4.44 3.95 2rl5A1 PRO 937 HB2 -0.06 0.03 0.12 -0.04 2.28 2.33 2rl5A1 PRO 937 HB3 -0.21 0.02 0.12 -0.04 2.02 1.91 2rl5A1 PRO 937 HG2 0.06 0.07 0.10 -0.04 2.03 2.22 2rl5A1 PRO 937 HG3 0.15 0.09 0.08 -0.04 2.03 2.31 2rl5A1 PRO 937 HD2 -0.08 0.12 0.21 -0.04 3.68 3.89 2rl5A1 PRO 937 HD3 0.00 0.19 0.16 -0.04 3.65 3.97 2rl5A1 TYR 938 H -0.14 0.27 -0.09 -0.55 8.29 7.78 2rl5A1 TYR 938 HA -0.13 0.08 0.82 -0.75 4.56 4.59 2rl5A1 TYR 938 HB2 -0.11 0.01 -0.04 -0.04 3.06 2.88 2rl5A1 TYR 938 HB3 -0.09 0.05 0.04 -0.04 2.98 2.95 2rl5A1 TYR 938 HD2 -0.05 -0.02 -0.03 -0.04 7.15 7.01 2rl5A1 TYR 938 HE2 -0.01 0.06 -0.02 -0.04 6.85 6.83 2rl5A1 LYS 939 H -0.02 0.08 0.10 -0.55 8.42 8.02 2rl5A1 LYS 939 HA -0.46 0.15 0.54 -0.75 4.32 3.80 2rl5A1 LYS 939 HB2 0.02 -0.06 0.02 -0.04 1.87 1.81 2rl5A1 LYS 939 HB3 0.08 0.00 0.00 -0.04 1.79 1.83 2rl5A1 LYS 939 HG2 -0.14 0.09 -0.07 -0.04 1.46 1.31 2rl5A1 LYS 939 HG3 -0.04 -0.06 -0.03 -0.04 1.46 1.29 2rl5A1 LYS 939 HD2 0.06 -0.08 -0.03 -0.04 1.69 1.60 2rl5A1 LYS 939 HD3 0.09 0.04 -0.02 -0.04 1.68 1.74 2rl5A1 LYS 939 HE2 0.08 0.18 -0.01 -0.04 2.99 3.20 2rl5A1 LYS 939 HE3 0.09 -0.05 -0.06 -0.04 2.99 2.93 2rl5A1 VAL 990 H 0.05 0.26 0.09 -0.55 8.24 8.09 2rl5A1 VAL 990 HA -0.12 0.12 0.81 -0.75 4.13 4.19 2rl5A1 VAL 990 HB 0.09 0.01 0.01 -0.04 2.12 2.19 2rl5A1 VAL 990 HG13 -0.07 0.05 -0.05 -0.04 0.97 0.86 2rl5A1 VAL 990 HG23 -0.08 0.02 -0.17 -0.04 0.95 0.68 2rl5A1 ALA 991 H -0.31 0.13 0.05 -0.55 8.40 7.73 2rl5A1 ALA 991 HA -0.03 -0.21 0.36 -0.75 4.34 3.71 2rl5A1 ALA 991 HB3 -0.19 0.02 0.08 -0.04 1.41 1.28 2rl5A1 PRO 992 HA -0.01 -0.03 0.44 -0.51 4.44 4.33 2rl5A1 PRO 992 HB2 -0.04 -0.07 0.06 -0.04 2.28 2.19 2rl5A1 PRO 992 HB3 -0.02 0.07 0.12 -0.04 2.02 2.15 2rl5A1 PRO 992 HG2 -0.10 0.00 0.20 -0.04 2.03 2.09 2rl5A1 PRO 992 HG3 -0.05 0.06 0.12 -0.04 2.03 2.12 2rl5A1 PRO 992 HD2 -0.05 0.18 0.40 -0.04 3.68 4.18 2rl5A1 PRO 992 HD3 -0.03 0.07 0.16 -0.04 3.65 3.81 2rl5A1 GLU 993 H 0.02 0.14 0.10 -0.55 8.60 8.32 2rl5A1 GLU 993 HA 0.08 0.24 0.32 -0.75 4.29 4.18 2rl5A1 GLU 993 HB2 0.05 0.01 0.00 -0.04 2.09 2.11 2rl5A1 GLU 993 HB3 0.07 0.05 0.01 -0.04 1.99 2.08 2rl5A1 GLU 993 HG2 0.09 0.05 -0.11 -0.04 2.34 2.33 2rl5A1 GLU 993 HG3 0.06 0.02 -0.40 -0.04 2.34 1.98 2rl5A1 ASP 994 H -0.05 0.07 -0.41 -0.55 8.40 7.46 2rl5A1 ASP 994 HA -0.04 0.08 0.37 -0.75 4.63 4.28 2rl5A1 ASP 994 HB2 -0.04 0.05 0.08 -0.04 2.71 2.76 2rl5A1 ASP 994 HB3 -0.03 -0.01 0.06 -0.04 2.70 2.68 2rl5A1 LEU 995 H -0.28 0.34 -0.43 -0.55 8.37 7.46 2rl5A1 LEU 995 HA -0.31 0.08 0.49 -0.75 4.35 3.85 2rl5A1 LEU 995 HB2 -0.76 0.17 0.09 -0.04 1.64 1.10 2rl5A1 LEU 995 HB3 -0.95 0.01 0.04 -0.04 1.64 0.70 2rl5A1 LEU 995 HG -0.22 -0.07 0.03 -0.04 1.64 1.33 2rl5A1 LEU 995 HD13 -0.21 0.02 0.02 -0.04 0.93 0.72 2rl5A1 LEU 995 HD23 -0.19 -0.00 0.05 -0.04 0.89 0.70 2rl5A1 TYR 996 H -0.32 0.46 -0.43 -0.55 8.29 7.45 2rl5A1 TYR 996 HA -1.42 0.25 0.77 -0.75 4.56 3.40 2rl5A1 TYR 996 HB2 -0.28 -0.02 0.07 -0.04 3.06 2.79 2rl5A1 TYR 996 HB3 -0.67 -0.00 0.07 -0.04 2.98 2.34 2rl5A1 TYR 996 HD2 -0.70 0.01 -0.04 -0.04 7.15 6.39 2rl5A1 TYR 996 HE2 -0.15 0.08 -0.01 -0.04 6.85 6.73 2rl5A1 LYS 997 H -0.09 0.29 -0.29 -0.55 8.42 7.77 2rl5A1 LYS 997 HA 0.06 -0.05 0.43 -0.75 4.32 4.00 2rl5A1 LYS 997 HB2 0.01 0.06 0.16 -0.04 1.87 2.05 2rl5A1 LYS 997 HB3 0.06 0.04 0.10 -0.04 1.79 1.95 2rl5A1 LYS 997 HG2 0.08 0.04 -0.22 -0.04 1.46 1.31 2rl5A1 LYS 997 HG3 0.05 -0.07 0.03 -0.04 1.46 1.43 2rl5A1 LYS 997 HD2 0.02 -0.01 0.03 -0.04 1.69 1.69 2rl5A1 LYS 997 HD3 0.04 0.02 -0.01 -0.04 1.68 1.69 2rl5A1 LYS 997 HE2 0.04 -0.03 -0.01 -0.04 2.99 2.95 2rl5A1 LYS 997 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.96 2rl5A1 ASP 998 H 0.11 0.07 0.21 -0.55 8.40 8.23 2rl5A1 ASP 998 HA 0.10 -0.04 0.34 -0.75 4.63 4.29 2rl5A1 ASP 998 HB2 0.12 0.24 -0.12 -0.04 2.71 2.91 2rl5A1 ASP 998 HB3 0.09 -0.00 0.17 -0.04 2.70 2.91 2rl5A1 PHE 999 H 0.35 0.36 -0.54 -0.55 8.34 7.95 2rl5A1 PHE 999 HA -0.06 0.16 0.45 -0.75 4.62 4.41 2rl5A1 PHE 999 HB2 0.01 0.14 0.02 -0.04 3.15 3.27 2rl5A1 PHE 999 HB3 -0.14 0.06 -0.19 -0.04 3.06 2.76 2rl5A1 PHE 999 HD2 -0.02 0.06 -0.41 -0.04 7.28 6.87 2rl5A1 PHE 999 HE2 0.07 0.01 -0.05 -0.04 7.38 7.36 2rl5A1 PHE 999 HZ 0.07 0.01 0.08 -0.04 7.32 7.44 2rl5A1 LEU 1000 H -0.15 0.71 0.43 -0.55 8.37 8.81 2rl5A1 LEU 1000 HA -0.79 0.04 0.73 -0.75 4.35 3.57 2rl5A1 LEU 1000 HB2 0.04 0.10 0.17 -0.04 1.64 1.91 2rl5A1 LEU 1000 HB3 -0.00 -0.10 0.08 -0.04 1.64 1.58 2rl5A1 LEU 1000 HG -0.14 0.12 0.05 -0.04 1.64 1.63 2rl5A1 LEU 1000 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.84 2rl5A1 LEU 1000 HD23 -0.08 -0.02 -0.03 -0.04 0.89 0.73 2rl5A1 THR 1001 H -0.09 0.05 0.24 -0.55 8.28 7.94 2rl5A1 THR 1001 HA -0.63 0.52 0.81 -0.75 4.39 4.34 2rl5A1 THR 1001 HB -0.21 0.22 0.18 -0.04 4.32 4.47 2rl5A1 THR 1001 HG23 -0.10 0.05 -0.32 -0.04 1.22 0.80 2rl5A1 LEU 1002 H -0.31 0.55 0.35 -0.55 8.37 8.42 2rl5A1 LEU 1002 HA 0.16 0.08 0.42 -0.75 4.35 4.26 2rl5A1 LEU 1002 HB2 -0.36 0.13 0.25 -0.04 1.64 1.62 2rl5A1 LEU 1002 HB3 -0.01 -0.04 0.03 -0.04 1.64 1.58 2rl5A1 LEU 1002 HG 0.03 -0.01 0.13 -0.04 1.64 1.75 2rl5A1 LEU 1002 HD13 -0.12 0.01 0.04 -0.04 0.93 0.82 2rl5A1 LEU 1002 HD23 0.27 0.02 0.03 -0.04 0.89 1.18 2rl5A1 GLU 1003 H -0.08 0.18 -0.18 -0.55 8.60 7.98 2rl5A1 GLU 1003 HA -0.03 0.07 0.39 -0.75 4.29 3.97 2rl5A1 GLU 1003 HB2 -0.02 0.05 0.08 -0.04 2.09 2.16 2rl5A1 GLU 1003 HB3 -0.07 -0.01 0.05 -0.04 1.99 1.91 2rl5A1 GLU 1003 HG2 -0.17 0.01 -0.19 -0.04 2.34 1.95 2rl5A1 GLU 1003 HG3 -0.05 0.01 0.05 -0.04 2.34 2.31 2rl5A1 HIS 1004 H 0.09 0.16 -0.23 -0.55 8.41 7.87 2rl5A1 HIS 1004 HA -0.35 0.09 0.45 -0.75 4.63 4.07 2rl5A1 HIS 1004 HB2 -0.15 0.06 0.28 -0.04 3.26 3.41 2rl5A1 HIS 1004 HB3 -0.44 0.05 0.02 -0.04 3.20 2.78 2rl5A1 HIS 1004 HD2 -0.05 0.00 0.00 -0.04 6.97 6.88 2rl5A1 HIS 1004 HE1 -0.02 0.03 -0.00 -0.04 7.75 7.71 2rl5A1 LEU 1005 H -0.06 0.44 -0.00 -0.55 8.37 8.20 2rl5A1 LEU 1005 HA -0.18 0.02 0.37 -0.75 4.35 3.80 2rl5A1 LEU 1005 HB2 -0.24 0.07 0.09 -0.04 1.64 1.52 2rl5A1 LEU 1005 HB3 -1.10 -0.03 -0.06 -0.04 1.64 0.41 2rl5A1 LEU 1005 HG 0.04 0.10 -0.01 -0.04 1.64 1.73 2rl5A1 LEU 1005 HD13 -0.40 0.02 -0.10 -0.04 0.93 0.41 2rl5A1 LEU 1005 HD23 -0.12 0.00 -0.04 -0.04 0.89 0.70 2rl5A1 ILE 1006 H 0.04 0.67 -0.13 -0.55 8.25 8.29 2rl5A1 ILE 1006 HA 0.29 -0.01 0.46 -0.75 4.18 4.17 2rl5A1 ILE 1006 HB 0.04 0.09 0.09 -0.04 1.89 2.06 2rl5A1 ILE 1006 HG12 0.29 -0.09 0.00 -0.04 1.49 1.64 2rl5A1 ILE 1006 HG13 0.22 0.32 0.11 -0.04 1.21 1.81 2rl5A1 ILE 1006 HG23 0.03 -0.03 -0.12 -0.04 0.93 0.78 2rl5A1 ILE 1006 HD13 0.05 -0.03 -0.10 -0.04 0.88 0.76 2rl5A1 CYS 1007 H -0.07 0.54 -0.20 -0.55 8.50 8.22 2rl5A1 CYS 1007 HA 0.17 -0.02 0.45 -0.75 4.58 4.42 2rl5A1 CYS 1007 HB2 -0.08 0.08 0.20 -0.04 2.97 3.13 2rl5A1 CYS 1007 HB3 -0.24 0.14 0.27 -0.04 2.97 3.10 2rl5A1 TYR 1008 H -0.13 0.61 -0.08 -0.55 8.29 8.14 2rl5A1 TYR 1008 HA 0.05 0.03 0.43 -0.75 4.56 4.32 2rl5A1 TYR 1008 HB2 0.00 0.12 0.11 -0.04 3.06 3.25 2rl5A1 TYR 1008 HB3 0.03 -0.08 -0.04 -0.04 2.98 2.85 2rl5A1 TYR 1008 HD2 -0.01 -0.02 -0.07 -0.04 7.15 7.01 2rl5A1 TYR 1008 HE2 0.03 0.02 -0.10 -0.04 6.85 6.76 2rl5A1 SER 1009 H 0.22 0.53 -0.15 -0.55 8.46 8.52 2rl5A1 SER 1009 HA 0.26 -0.01 0.39 -0.75 4.49 4.37 2rl5A1 SER 1009 HB2 0.28 0.12 0.16 -0.04 3.95 4.47 2rl5A1 SER 1009 HB3 0.27 -0.07 0.03 -0.04 3.93 4.13 2rl5A1 PHE 1010 H 0.35 0.64 -0.20 -0.55 8.34 8.57 2rl5A1 PHE 1010 HA 0.15 -0.03 0.42 -0.75 4.62 4.40 2rl5A1 PHE 1010 HB2 0.08 0.04 0.04 -0.04 3.15 3.26 2rl5A1 PHE 1010 HB3 0.07 0.18 0.19 -0.04 3.06 3.46 2rl5A1 PHE 1010 HD2 0.06 -0.00 0.04 -0.04 7.28 7.33 2rl5A1 PHE 1010 HE2 0.04 0.04 0.03 -0.04 7.38 7.44 2rl5A1 PHE 1010 HZ 0.03 -0.01 0.00 -0.04 7.32 7.30 2rl5A1 GLN 1011 H 0.16 0.56 -0.15 -0.55 8.47 8.50 2rl5A1 GLN 1011 HA -0.22 0.01 0.48 -0.75 4.36 3.88 2rl5A1 GLN 1011 HB2 0.10 0.09 0.20 -0.04 2.15 2.49 2rl5A1 GLN 1011 HB3 0.00 -0.01 0.06 -0.04 2.02 2.04 2rl5A1 GLN 1011 HG2 -0.04 -0.07 0.06 -0.04 2.40 2.30 2rl5A1 GLN 1011 HG3 0.08 0.25 0.12 -0.04 2.39 2.80 2rl5A1 GLN 1011 HE21 0.16 0.56 0.22 -0.04 6.97 7.87 2rl5A1 GLN 1011 HE22 0.15 -0.02 -0.14 -0.04 7.69 7.64 2rl5A1 VAL 1012 H 0.15 0.57 -0.12 -0.55 8.24 8.29 2rl5A1 VAL 1012 HA 0.01 0.07 0.46 -0.75 4.13 3.92 2rl5A1 VAL 1012 HB 0.39 0.12 0.11 -0.04 2.12 2.69 2rl5A1 VAL 1012 HG13 0.21 -0.03 -0.11 -0.04 0.97 1.00 2rl5A1 VAL 1012 HG23 0.10 0.04 -0.04 -0.04 0.95 1.01 2rl5A1 ALA 1013 H 0.17 0.53 -0.20 -0.55 8.40 8.36 2rl5A1 ALA 1013 HA -0.37 -0.03 0.39 -0.75 4.34 3.57 2rl5A1 ALA 1013 HB3 0.10 0.05 0.03 -0.04 1.41 1.54 2rl5A1 LYS 1014 H -0.13 0.50 -0.24 -0.55 8.42 7.99 2rl5A1 LYS 1014 HA -0.09 -0.01 0.45 -0.75 4.32 3.92 2rl5A1 LYS 1014 HB2 -0.22 0.15 0.18 -0.04 1.87 1.94 2rl5A1 LYS 1014 HB3 -0.05 -0.05 0.02 -0.04 1.79 1.67 2rl5A1 LYS 1014 HG2 -0.09 -0.07 0.05 -0.04 1.46 1.31 2rl5A1 LYS 1014 HG3 -0.39 0.09 0.08 -0.04 1.46 1.19 2rl5A1 LYS 1014 HD2 -0.17 -0.03 0.01 -0.04 1.69 1.45 2rl5A1 LYS 1014 HD3 -0.37 -0.02 -0.00 -0.04 1.68 1.25 2rl5A1 LYS 1014 HE2 -1.74 0.07 -0.14 -0.04 2.99 1.13 2rl5A1 LYS 1014 HE3 -0.42 0.01 0.01 -0.04 2.99 2.55 2rl5A1 GLY 1015 H -0.17 0.44 -0.26 -0.55 8.43 7.90 2rl5A1 GLY 1015 HA2 -0.62 -0.00 0.45 -0.51 4.01 3.33 2rl5A1 GLY 1015 HA3 -0.22 0.17 0.32 -0.51 4.01 3.77 2rl5A1 MET 1016 H -0.34 0.70 -0.02 -0.55 8.47 8.27 2rl5A1 MET 1016 HA -0.38 0.02 0.47 -0.75 4.52 3.87 2rl5A1 MET 1016 HB2 -1.18 0.11 0.17 -0.04 2.15 1.21 2rl5A1 MET 1016 HB3 -2.20 -0.10 0.03 -0.04 2.03 -0.29 2rl5A1 MET 1016 HG2 -0.32 0.17 0.05 -0.04 2.63 2.49 2rl5A1 MET 1016 HG3 -0.48 -0.03 -0.02 -0.04 2.56 1.99 2rl5A1 MET 1016 HE3 -0.13 -0.05 0.04 -0.04 2.10 1.93 2rl5A1 GLU 1017 H -0.28 0.65 -0.17 -0.55 8.60 8.27 2rl5A1 GLU 1017 HA -0.01 -0.12 0.39 -0.75 4.29 3.80 2rl5A1 GLU 1017 HB2 0.03 -0.02 -0.05 -0.04 2.09 2.01 2rl5A1 GLU 1017 HB3 -0.04 0.16 0.11 -0.04 1.99 2.18 2rl5A1 GLU 1017 HG2 0.04 0.08 -0.26 -0.04 2.34 2.15 2rl5A1 GLU 1017 HG3 0.06 -0.15 -0.01 -0.04 2.34 2.19 2rl5A1 PHE 1018 H -0.10 0.36 -0.48 -0.55 8.34 7.57 2rl5A1 PHE 1018 HA -0.09 0.02 0.42 -0.75 4.62 4.21 2rl5A1 PHE 1018 HB2 -0.40 -0.01 0.12 -0.04 3.15 2.82 2rl5A1 PHE 1018 HB3 -0.46 0.18 0.17 -0.04 3.06 2.90 2rl5A1 PHE 1018 HD2 -0.06 -0.06 -0.09 -0.04 7.28 7.04 2rl5A1 PHE 1018 HE2 0.00 0.02 -0.21 -0.04 7.38 7.15 2rl5A1 PHE 1018 HZ 0.01 0.08 -0.12 -0.04 7.32 7.26 2rl5A1 LEU 1019 H -0.12 0.48 -0.02 -0.55 8.37 8.17 2rl5A1 LEU 1019 HA -0.27 0.11 0.37 -0.75 4.35 3.80 2rl5A1 LEU 1019 HB2 -0.14 -0.02 0.18 -0.04 1.64 1.62 2rl5A1 LEU 1019 HB3 -0.07 0.02 -0.07 -0.04 1.64 1.48 2rl5A1 LEU 1019 HG -0.01 0.11 -0.01 -0.04 1.64 1.69 2rl5A1 LEU 1019 HD13 0.03 -0.04 -0.11 -0.04 0.93 0.77 2rl5A1 LEU 1019 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.76 2rl5A1 ALA 1020 H -0.13 0.62 -0.15 -0.55 8.40 8.19 2rl5A1 ALA 1020 HA -0.01 0.03 0.43 -0.75 4.34 4.04 2rl5A1 ALA 1020 HB3 0.06 0.00 0.15 -0.04 1.41 1.57 2rl5A1 SER 1021 H -0.14 0.47 -0.23 -0.55 8.46 8.01 2rl5A1 SER 1021 HA -0.06 -0.04 0.44 -0.75 4.49 4.08 2rl5A1 SER 1021 HB2 -0.05 -0.09 0.17 -0.04 3.95 3.93 2rl5A1 SER 1021 HB3 -0.05 -0.01 0.17 -0.04 3.93 4.00 2rl5A1 ARG 1022 H -0.24 0.45 -0.62 -0.55 8.46 7.50 2rl5A1 ARG 1022 HA -0.19 0.13 0.81 -0.75 4.34 4.33 2rl5A1 ARG 1022 HB2 -0.28 -0.01 0.12 -0.04 1.90 1.70 2rl5A1 ARG 1022 HB3 -0.32 -0.01 0.16 -0.04 1.80 1.59 2rl5A1 ARG 1022 HG2 -0.96 0.22 -0.03 -0.04 1.67 0.85 2rl5A1 ARG 1022 HG3 -0.71 0.04 0.03 -0.04 1.67 0.99 2rl5A1 ARG 1022 HD2 -0.33 -0.02 -0.15 -0.04 3.22 2.69 2rl5A1 ARG 1022 HD3 -0.50 -0.05 -0.00 -0.04 3.22 2.62 2rl5A1 LYS 1023 H -0.07 0.50 -0.21 -0.55 8.42 8.08 2rl5A1 LYS 1023 HA -0.00 -0.01 0.35 -0.75 4.32 3.91 2rl5A1 LYS 1023 HB2 0.04 0.25 -0.05 -0.04 1.87 2.07 2rl5A1 LYS 1023 HB3 0.02 -0.11 0.23 -0.04 1.79 1.89 2rl5A1 LYS 1023 HG2 0.01 -0.06 0.03 -0.04 1.46 1.40 2rl5A1 LYS 1023 HG3 -0.00 0.06 -0.21 -0.04 1.46 1.27 2rl5A1 LYS 1023 HD2 0.03 0.05 -0.04 -0.04 1.69 1.68 2rl5A1 LYS 1023 HD3 0.02 -0.06 0.02 -0.04 1.68 1.61 2rl5A1 LYS 1023 HE2 0.01 -0.05 0.00 -0.04 2.99 2.91 2rl5A1 LYS 1023 HE3 0.01 0.04 -0.02 -0.04 2.99 2.98 2rl5A1 CYS 1024 H -0.05 0.45 -0.15 -0.55 8.50 8.21 2rl5A1 CYS 1024 HA 0.01 0.17 0.91 -0.75 4.58 4.92 2rl5A1 CYS 1024 HB2 -0.05 0.01 -0.04 -0.04 2.97 2.85 2rl5A1 CYS 1024 HB3 -0.01 -0.05 -0.14 -0.04 2.97 2.73 2rl5A1 ILE 1025 H 0.01 0.28 0.06 -0.55 8.25 8.05 2rl5A1 ILE 1025 HA 0.08 0.06 0.75 -0.75 4.18 4.33 2rl5A1 ILE 1025 HB 0.03 0.10 -0.00 -0.04 1.89 1.99 2rl5A1 ILE 1025 HG12 0.10 -0.13 -0.22 -0.04 1.49 1.20 2rl5A1 ILE 1025 HG13 0.05 0.09 -0.35 -0.04 1.21 0.96 2rl5A1 ILE 1025 HG23 0.14 -0.03 -0.34 -0.04 0.93 0.67 2rl5A1 ILE 1025 HD13 0.09 0.00 -0.15 -0.04 0.88 0.77 2rl5A1 HIS 1026 H 0.17 0.10 0.05 -0.55 8.41 8.19 2rl5A1 HIS 1026 HA -0.01 0.19 0.35 -0.75 4.63 4.41 2rl5A1 HIS 1026 HB2 0.00 0.08 0.05 -0.04 3.26 3.35 2rl5A1 HIS 1026 HB3 0.07 -0.13 0.08 -0.04 3.20 3.17 2rl5A1 HIS 1026 HD2 -0.03 0.04 -0.10 -0.04 6.97 6.83 2rl5A1 HIS 1026 HE1 -0.01 0.11 -0.07 -0.04 7.75 7.73 2rl5A1 ARG 1027 H 0.22 0.01 -0.10 -0.55 8.46 8.04 2rl5A1 ARG 1027 HA 0.23 -0.04 0.23 -0.75 4.34 4.01 2rl5A1 ARG 1027 HB2 -0.15 0.48 0.12 -0.04 1.90 2.30 2rl5A1 ARG 1027 HB3 -0.27 -0.01 0.02 -0.04 1.80 1.50 2rl5A1 ARG 1027 HG2 -0.45 -0.09 -0.08 -0.04 1.67 1.01 2rl5A1 ARG 1027 HG3 -0.11 -0.00 -0.38 -0.04 1.67 1.14 2rl5A1 ARG 1027 HD2 -0.25 0.08 -0.09 -0.04 3.22 2.92 2rl5A1 ARG 1027 HD3 -0.59 -0.00 -0.06 -0.04 3.22 2.53 2rl5A1 ASP 1028 H 0.56 0.09 -0.69 -0.55 8.40 7.81 2rl5A1 ASP 1028 HA 0.19 0.22 0.54 -0.75 4.63 4.83 2rl5A1 ASP 1028 HB2 0.06 0.11 -0.26 -0.04 2.71 2.58 2rl5A1 ASP 1028 HB3 0.11 -0.02 0.03 -0.04 2.70 2.79 2rl5A1 LEU 1029 H 0.24 0.10 -0.10 -0.55 8.37 8.07 2rl5A1 LEU 1029 HA -0.27 0.09 0.49 -0.75 4.35 3.91 2rl5A1 LEU 1029 HB2 0.07 -0.11 0.08 -0.04 1.64 1.63 2rl5A1 LEU 1029 HB3 0.26 0.03 0.07 -0.04 1.64 1.96 2rl5A1 LEU 1029 HG 0.21 0.02 -0.26 -0.04 1.64 1.56 2rl5A1 LEU 1029 HD13 -0.17 0.01 -0.01 -0.04 0.93 0.71 2rl5A1 LEU 1029 HD23 0.33 0.01 -0.05 -0.04 0.89 1.14 2rl5A1 ALA 1030 H -0.10 0.31 0.27 -0.55 8.40 8.34 2rl5A1 ALA 1030 HA 0.04 0.20 0.57 -0.75 4.34 4.40 2rl5A1 ALA 1030 HB3 -0.88 0.03 -0.09 -0.04 1.41 0.43 2rl5A1 ALA 1031 H 0.21 0.28 0.12 -0.55 8.40 8.45 2rl5A1 ALA 1031 HA 0.07 0.13 0.44 -0.75 4.34 4.22 2rl5A1 ALA 1031 HB3 0.14 0.04 0.04 -0.04 1.41 1.60 2rl5A1 ARG 1032 H -0.05 0.15 -0.21 -0.55 8.46 7.79 2rl5A1 ARG 1032 HA 0.01 -0.00 0.48 -0.75 4.34 4.08 2rl5A1 ARG 1032 HB2 -0.08 0.04 0.06 -0.04 1.90 1.88 2rl5A1 ARG 1032 HB3 -0.05 0.05 0.07 -0.04 1.80 1.82 2rl5A1 ARG 1032 HG2 -0.30 -0.10 -0.03 -0.04 1.67 1.20 2rl5A1 ARG 1032 HG3 -0.12 0.04 -0.21 -0.04 1.67 1.34 2rl5A1 ARG 1032 HD2 -0.14 -0.01 -0.05 -0.04 3.22 2.98 2rl5A1 ARG 1032 HD3 -0.25 0.08 -0.02 -0.04 3.22 2.99 2rl5A1 ASN 1033 H -0.00 0.32 -0.54 -0.55 8.53 7.76 2rl5A1 ASN 1033 HA 0.25 0.13 0.75 -0.75 4.76 5.13 2rl5A1 ASN 1033 HB2 -0.01 -0.03 0.20 -0.04 2.88 2.99 2rl5A1 ASN 1033 HB3 0.06 0.26 0.29 -0.04 2.79 3.36 2rl5A1 ASN 1033 HD21 0.08 -0.15 0.05 -0.04 7.03 6.96 2rl5A1 ASN 1033 HD22 0.07 0.52 0.20 -0.04 7.74 8.48 2rl5A1 ILE 1034 H 0.05 0.33 -0.31 -0.55 8.25 7.77 2rl5A1 ILE 1034 HA -0.02 0.25 0.97 -0.75 4.18 4.63 2rl5A1 ILE 1034 HB -0.01 -0.05 0.19 -0.04 1.89 1.98 2rl5A1 ILE 1034 HG12 0.01 0.10 -0.09 -0.04 1.49 1.47 2rl5A1 ILE 1034 HG13 0.03 -0.04 -0.09 -0.04 1.21 1.08 2rl5A1 ILE 1034 HG23 -0.05 0.02 -0.17 -0.04 0.93 0.69 2rl5A1 ILE 1034 HD13 -0.01 0.04 -0.08 -0.04 0.88 0.79 2rl5A1 LEU 1035 H -0.04 0.81 0.26 -0.55 8.37 8.86 2rl5A1 LEU 1035 HA -0.01 0.29 0.79 -0.75 4.35 4.67 2rl5A1 LEU 1035 HB2 -0.06 -0.02 -0.02 -0.04 1.64 1.51 2rl5A1 LEU 1035 HB3 -0.06 0.01 -0.13 -0.04 1.64 1.42 2rl5A1 LEU 1035 HG -0.05 -0.02 -0.33 -0.04 1.64 1.21 2rl5A1 LEU 1035 HD13 -0.11 -0.01 -0.16 -0.04 0.93 0.62 2rl5A1 LEU 1035 HD23 0.17 0.02 -0.30 -0.04 0.89 0.73 2rl5A1 LEU 1036 H -0.07 0.70 0.10 -0.55 8.37 8.55 2rl5A1 LEU 1036 HA -0.15 0.17 0.90 -0.75 4.35 4.51 2rl5A1 LEU 1036 HB2 -0.35 -0.05 -0.13 -0.04 1.64 1.06 2rl5A1 LEU 1036 HB3 -0.25 0.06 -0.02 -0.04 1.64 1.39 2rl5A1 LEU 1036 HG -0.40 0.13 -0.25 -0.04 1.64 1.07 2rl5A1 LEU 1036 HD13 -0.34 -0.01 -0.19 -0.04 0.93 0.34 2rl5A1 LEU 1036 HD23 -1.28 -0.01 -0.10 -0.04 0.89 -0.54 2rl5A1 SER 1037 H -0.05 0.77 0.21 -0.55 8.46 8.85 2rl5A1 SER 1037 HA 0.02 -0.08 0.73 -0.75 4.49 4.41 2rl5A1 SER 1037 HB2 -0.00 0.24 0.10 -0.04 3.95 4.24 2rl5A1 SER 1037 HB3 0.02 -0.21 0.25 -0.04 3.93 3.95 2rl5A1 GLU 1038 H 0.07 0.12 0.16 -0.55 8.60 8.41 2rl5A1 GLU 1038 HA 0.24 0.13 0.59 -0.75 4.29 4.50 2rl5A1 GLU 1038 HB2 0.08 0.02 0.14 -0.04 2.09 2.29 2rl5A1 GLU 1038 HB3 0.10 0.03 0.07 -0.04 1.99 2.14 2rl5A1 GLU 1038 HG2 0.20 0.02 0.06 -0.04 2.34 2.58 2rl5A1 GLU 1038 HG3 0.17 -0.05 -0.01 -0.04 2.34 2.42 2rl5A1 LYS 1039 H 0.08 0.15 0.15 -0.55 8.42 8.24 2rl5A1 LYS 1039 HA 0.04 0.03 0.32 -0.75 4.32 3.96 2rl5A1 LYS 1039 HB2 0.03 0.15 -0.19 -0.04 1.87 1.83 2rl5A1 LYS 1039 HB3 0.03 0.03 0.18 -0.04 1.79 1.98 2rl5A1 LYS 1039 HG2 0.04 0.01 0.05 -0.04 1.46 1.52 2rl5A1 LYS 1039 HG3 0.05 -0.06 -0.11 -0.04 1.46 1.29 2rl5A1 LYS 1039 HD2 0.02 0.02 -0.03 -0.04 1.69 1.66 2rl5A1 LYS 1039 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 2rl5A1 LYS 1039 HE2 0.03 -0.00 0.01 -0.04 2.99 2.98 2rl5A1 LYS 1039 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 2rl5A1 ASN 1040 H -0.01 0.07 -0.30 -0.55 8.53 7.73 2rl5A1 ASN 1040 HA 0.05 0.04 0.15 -0.75 4.76 4.25 2rl5A1 ASN 1040 HB2 0.04 0.14 -0.25 -0.04 2.88 2.76 2rl5A1 ASN 1040 HB3 0.17 -0.02 0.15 -0.04 2.79 3.05 2rl5A1 ASN 1040 HD21 0.17 0.04 -0.07 -0.04 7.03 7.12 2rl5A1 ASN 1040 HD22 0.03 0.01 -0.22 -0.04 7.74 7.53 2rl5A1 VAL 1041 H 0.02 0.28 -0.47 -0.55 8.24 7.51 2rl5A1 VAL 1041 HA 0.05 0.15 0.84 -0.75 4.13 4.41 2rl5A1 VAL 1041 HB 0.01 -0.05 0.02 -0.04 2.12 2.06 2rl5A1 VAL 1041 HG13 -0.00 -0.01 -0.18 -0.04 0.97 0.74 2rl5A1 VAL 1041 HG23 0.02 0.03 -0.10 -0.04 0.95 0.86 2rl5A1 VAL 1042 H 0.03 0.16 0.11 -0.55 8.24 7.99 2rl5A1 VAL 1042 HA -0.08 0.26 1.06 -0.75 4.13 4.61 2rl5A1 VAL 1042 HB -0.07 -0.00 -0.07 -0.04 2.12 1.93 2rl5A1 VAL 1042 HG13 -0.31 -0.00 -0.19 -0.04 0.97 0.42 2rl5A1 VAL 1042 HG23 0.06 0.01 0.02 -0.04 0.95 0.99 2rl5A1 LYS 1043 H -0.06 0.72 0.29 -0.55 8.42 8.82 2rl5A1 LYS 1043 HA -0.03 0.21 0.72 -0.75 4.32 4.47 2rl5A1 LYS 1043 HB2 -0.04 -0.05 -0.07 -0.04 1.87 1.66 2rl5A1 LYS 1043 HB3 -0.04 -0.06 -0.22 -0.04 1.79 1.43 2rl5A1 LYS 1043 HG2 -0.02 -0.10 -0.28 -0.04 1.46 1.02 2rl5A1 LYS 1043 HG3 -0.02 0.18 -0.29 -0.04 1.46 1.29 2rl5A1 LYS 1043 HD2 -0.03 -0.13 -0.75 -0.04 1.69 0.74 2rl5A1 LYS 1043 HD3 -0.03 -0.10 -0.25 -0.04 1.68 1.27 2rl5A1 LYS 1043 HE2 -0.02 0.33 -0.10 -0.04 2.99 3.17 2rl5A1 LYS 1043 HE3 -0.01 -0.10 -0.16 -0.04 2.99 2.68 2rl5A1 ILE 1044 H -0.03 0.67 0.17 -0.55 8.25 8.50 2rl5A1 ILE 1044 HA -0.04 0.09 0.74 -0.75 4.18 4.21 2rl5A1 ILE 1044 HB -0.03 0.02 0.25 -0.04 1.89 2.09 2rl5A1 ILE 1044 HG12 -0.07 -0.05 0.06 -0.04 1.49 1.39 2rl5A1 ILE 1044 HG13 -0.05 0.07 0.11 -0.04 1.21 1.30 2rl5A1 ILE 1044 HG23 -0.04 -0.01 -0.09 -0.04 0.93 0.75 2rl5A1 ILE 1044 HD13 -0.12 0.01 -0.01 -0.04 0.88 0.71 2rl5A1 CYS 1045 H -0.02 0.72 0.41 -0.55 8.50 9.06 2rl5A1 CYS 1045 HA -0.05 0.18 0.69 -0.75 4.58 4.64 2rl5A1 CYS 1045 HB2 -0.25 -0.03 0.03 -0.04 2.97 2.68 2rl5A1 CYS 1045 HB3 -0.14 -0.01 -0.33 -0.04 2.97 2.45 2rl5A1 ASP 1046 H -0.20 0.27 0.02 -0.55 8.40 7.94 2rl5A1 ASP 1046 HA 0.03 0.08 0.74 -0.75 4.63 4.74 2rl5A1 ASP 1046 HB2 -0.15 0.08 -0.19 -0.04 2.71 2.41 2rl5A1 ASP 1046 HB3 -0.12 0.05 0.06 -0.04 2.70 2.65 2rl5A1 PHE 1047 H 0.16 0.16 0.06 -0.55 8.34 8.16 2rl5A1 PHE 1047 HA -0.01 0.16 0.53 -0.75 4.62 4.54 2rl5A1 PHE 1047 HB2 -0.02 -0.05 -0.01 -0.04 3.15 3.02 2rl5A1 PHE 1047 HB3 -0.02 0.04 -0.01 -0.04 3.06 3.04 2rl5A1 PHE 1047 HD2 -0.01 -0.01 -0.05 -0.04 7.28 7.17 2rl5A1 PHE 1047 HE2 -0.01 0.09 -0.04 -0.04 7.38 7.38 2rl5A1 PHE 1047 HZ -0.02 -0.04 -0.09 -0.04 7.32 7.14 2rl5A1 GLY 1048 H 0.04 -0.06 -0.29 -0.55 8.43 7.58 2rl5A1 GLY 1048 HA2 -0.02 0.02 0.19 -0.51 4.01 3.70 2rl5A1 GLY 1048 HA3 0.00 0.14 0.31 -0.51 4.01 3.95 2rl5A1 LEU 1049 H 0.03 -0.03 -0.11 -0.55 8.37 7.71 2rl5A1 LEU 1049 HA 0.01 0.32 0.69 -0.75 4.35 4.61 2rl5A1 LEU 1049 HB2 -0.00 -0.02 -0.00 -0.04 1.64 1.57 2rl5A1 LEU 1049 HB3 -0.00 0.02 0.01 -0.04 1.64 1.63 2rl5A1 LEU 1049 HG 0.06 -0.11 -0.36 -0.04 1.64 1.19 2rl5A1 LEU 1049 HD13 -0.05 -0.00 -0.08 -0.04 0.93 0.76 2rl5A1 LEU 1049 HD23 0.02 0.07 -0.26 -0.04 0.89 0.68 2rl5A1 ASP 1064 HA 0.01 0.02 0.22 -0.75 4.63 4.13 2rl5A1 ASP 1064 HB2 0.01 -0.05 0.09 -0.04 2.71 2.72 2rl5A1 ASP 1064 HB3 0.01 0.08 0.03 -0.04 2.70 2.78 2rl5A1 ALA 1065 H 0.02 0.15 0.11 -0.55 8.40 8.13 2rl5A1 ALA 1065 HA 0.02 0.09 0.34 -0.75 4.34 4.04 2rl5A1 ALA 1065 HB3 0.01 0.01 0.10 -0.04 1.41 1.50 2rl5A1 ARG 1066 H 0.04 0.01 -0.70 -0.55 8.46 7.26 2rl5A1 ARG 1066 HA 0.07 0.15 0.61 -0.75 4.34 4.41 2rl5A1 ARG 1066 HB2 0.03 0.00 0.00 -0.04 1.90 1.89 2rl5A1 ARG 1066 HB3 -0.01 -0.02 0.00 -0.04 1.80 1.73 2rl5A1 ARG 1066 HG2 0.00 -0.05 -0.08 -0.04 1.67 1.49 2rl5A1 ARG 1066 HG3 -0.02 -0.05 -0.02 -0.04 1.67 1.55 2rl5A1 ARG 1066 HD2 -0.06 -0.04 -0.02 -0.04 3.22 3.05 2rl5A1 ARG 1066 HD3 -0.00 0.09 -0.04 -0.04 3.22 3.22 2rl5A1 LEU 1067 H 0.08 0.77 0.02 -0.55 8.37 8.70 2rl5A1 LEU 1067 HA 0.08 0.06 0.35 -0.75 4.35 4.10 2rl5A1 LEU 1067 HB2 0.20 0.13 -0.17 -0.04 1.64 1.76 2rl5A1 LEU 1067 HB3 0.06 -0.09 0.18 -0.04 1.64 1.74 2rl5A1 LEU 1067 HG 0.05 0.05 -0.14 -0.04 1.64 1.56 2rl5A1 LEU 1067 HD13 0.01 0.01 -0.05 -0.04 0.93 0.85 2rl5A1 LEU 1067 HD23 -0.03 -0.01 0.03 -0.04 0.89 0.85 2rl5A1 PRO 1068 HA 0.40 0.08 0.27 -0.51 4.44 4.68 2rl5A1 PRO 1068 HB2 0.15 0.06 -0.10 -0.04 2.28 2.35 2rl5A1 PRO 1068 HB3 0.08 -0.02 -0.06 -0.04 2.02 1.99 2rl5A1 PRO 1068 HG2 0.10 0.03 -0.09 -0.04 2.03 2.03 2rl5A1 PRO 1068 HG3 0.07 0.07 -0.27 -0.04 2.03 1.86 2rl5A1 PRO 1068 HD2 0.09 0.21 0.12 -0.04 3.68 4.06 2rl5A1 PRO 1068 HD3 0.09 -0.00 -0.16 -0.04 3.65 3.54 2rl5A1 LEU 1069 H 0.14 0.11 -0.51 -0.55 8.37 7.56 2rl5A1 LEU 1069 HA 0.10 0.05 0.35 -0.75 4.35 4.11 2rl5A1 LEU 1069 HB2 0.03 -0.01 0.02 -0.04 1.64 1.63 2rl5A1 LEU 1069 HB3 -0.02 0.06 -0.11 -0.04 1.64 1.53 2rl5A1 LEU 1069 HG -0.01 0.02 0.01 -0.04 1.64 1.62 2rl5A1 LEU 1069 HD13 -0.03 0.00 -0.02 -0.04 0.93 0.84 2rl5A1 LEU 1069 HD23 -0.03 -0.00 -0.07 -0.04 0.89 0.75 2rl5A1 LYS 1070 H 0.18 0.54 -0.28 -0.55 8.42 8.30 2rl5A1 LYS 1070 HA -0.01 0.09 0.40 -0.75 4.32 4.04 2rl5A1 LYS 1070 HB2 -0.64 0.07 0.03 -0.04 1.87 1.28 2rl5A1 LYS 1070 HB3 -0.32 -0.06 0.01 -0.04 1.79 1.38 2rl5A1 LYS 1070 HG2 -0.36 -0.07 -0.07 -0.04 1.46 0.92 2rl5A1 LYS 1070 HG3 -0.10 0.05 0.06 -0.04 1.46 1.43 2rl5A1 LYS 1070 HD2 -0.11 0.10 -0.14 -0.04 1.69 1.50 2rl5A1 LYS 1070 HD3 -0.18 -0.04 -0.03 -0.04 1.68 1.40 2rl5A1 LYS 1070 HE2 0.03 0.00 0.00 -0.04 2.99 2.99 2rl5A1 LYS 1070 HE3 -0.43 -0.08 -0.01 -0.04 2.99 2.42 2rl5A1 TRP 1071 H 0.53 0.36 -0.39 -0.55 7.97 7.93 2rl5A1 TRP 1071 HA 0.33 0.16 0.81 -0.75 4.62 5.15 2rl5A1 TRP 1071 HB2 0.18 0.09 0.01 -0.04 3.23 3.47 2rl5A1 TRP 1071 HB3 0.25 -0.03 0.07 -0.04 3.23 3.47 2rl5A1 TRP 1071 HD1 0.22 0.13 0.13 -0.04 7.22 7.66 2rl5A1 TRP 1071 HE1 0.16 -0.15 -0.04 -0.04 10.20 10.14 2rl5A1 TRP 1071 HE3 0.11 0.01 -0.05 -0.04 7.59 7.62 2rl5A1 TRP 1071 HZ2 0.12 -0.06 -0.00 -0.04 7.44 7.46 2rl5A1 TRP 1071 HZ3 0.06 0.33 -0.09 -0.04 7.13 7.39 2rl5A1 TRP 1071 HH2 0.07 0.03 -0.01 -0.04 7.19 7.24 2rl5A1 MET 1072 H 0.26 0.21 -0.26 -0.55 8.47 8.13 2rl5A1 MET 1072 HA 0.15 -0.00 0.59 -0.75 4.52 4.51 2rl5A1 MET 1072 HB2 0.02 0.11 0.11 -0.04 2.15 2.35 2rl5A1 MET 1072 HB3 -0.10 -0.02 -0.08 -0.04 2.03 1.79 2rl5A1 MET 1072 HG2 0.14 -0.02 -0.07 -0.04 2.63 2.63 2rl5A1 MET 1072 HG3 0.21 0.15 -0.09 -0.04 2.56 2.80 2rl5A1 MET 1072 HE3 -0.10 -0.00 -0.23 -0.04 2.10 1.74 2rl5A1 ALA 1073 H -0.19 0.03 0.19 -0.55 8.40 7.89 2rl5A1 ALA 1073 HA -2.22 0.26 0.47 -0.75 4.34 2.10 2rl5A1 ALA 1073 HB3 -0.32 0.01 0.19 -0.04 1.41 1.24 2rl5A1 PRO 1074 HA -0.34 0.09 0.43 -0.51 4.44 4.11 2rl5A1 PRO 1074 HB2 -0.16 0.00 0.14 -0.04 2.28 2.22 2rl5A1 PRO 1074 HB3 -0.05 0.04 0.08 -0.04 2.02 2.05 2rl5A1 PRO 1074 HG2 -0.37 0.17 0.06 -0.04 2.03 1.85 2rl5A1 PRO 1074 HG3 -0.52 0.09 0.01 -0.04 2.03 1.56 2rl5A1 PRO 1074 HD2 -0.86 0.11 0.20 -0.04 3.68 3.09 2rl5A1 PRO 1074 HD3 -2.61 0.22 0.22 -0.04 3.65 1.43 2rl5A1 GLU 1075 H -0.19 0.23 -0.06 -0.55 8.60 8.03 2rl5A1 GLU 1075 HA -0.00 0.08 0.37 -0.75 4.29 3.98 2rl5A1 GLU 1075 HB2 -0.04 0.00 0.06 -0.04 2.09 2.07 2rl5A1 GLU 1075 HB3 -0.05 0.08 0.12 -0.04 1.99 2.10 2rl5A1 GLU 1075 HG2 -0.13 0.07 -0.18 -0.04 2.34 2.05 2rl5A1 GLU 1075 HG3 -0.05 -0.02 -0.09 -0.04 2.34 2.14 2rl5A1 THR 1076 H -0.25 0.19 -0.54 -0.55 8.28 7.14 2rl5A1 THR 1076 HA -0.28 -0.03 0.52 -0.75 4.39 3.84 2rl5A1 THR 1076 HB -0.29 0.15 0.06 -0.04 4.32 4.20 2rl5A1 THR 1076 HG23 -0.78 0.00 -0.18 -0.04 1.22 0.22 2rl5A1 ILE 1077 H -0.29 0.47 -0.07 -0.55 8.25 7.81 2rl5A1 ILE 1077 HA -0.23 0.03 0.39 -0.75 4.18 3.62 2rl5A1 ILE 1077 HB -0.69 0.06 0.20 -0.04 1.89 1.42 2rl5A1 ILE 1077 HG12 -0.20 -0.07 -0.03 -0.04 1.49 1.15 2rl5A1 ILE 1077 HG13 -0.30 0.17 -0.15 -0.04 1.21 0.88 2rl5A1 ILE 1077 HG23 -0.60 -0.02 -0.12 -0.04 0.93 0.15 2rl5A1 ILE 1077 HD13 -0.27 0.03 -0.07 -0.04 0.88 0.52 2rl5A1 PHE 1078 H -0.21 0.58 0.04 -0.55 8.34 8.20 2rl5A1 PHE 1078 HA -0.06 0.10 0.52 -0.75 4.62 4.43 2rl5A1 PHE 1078 HB2 -0.09 0.02 0.04 -0.04 3.15 3.08 2rl5A1 PHE 1078 HB3 -0.07 -0.03 0.02 -0.04 3.06 2.94 2rl5A1 PHE 1078 HD2 -0.10 0.02 -0.02 -0.04 7.28 7.15 2rl5A1 PHE 1078 HE2 -0.11 -0.00 -0.01 -0.04 7.38 7.22 2rl5A1 PHE 1078 HZ -0.11 -0.02 -0.34 -0.04 7.32 6.81 2rl5A1 ASP 1079 H -0.01 0.35 -0.19 -0.55 8.40 8.00 2rl5A1 ASP 1079 HA 0.02 0.22 0.99 -0.75 4.63 5.11 2rl5A1 ASP 1079 HB2 -0.02 0.08 0.10 -0.04 2.71 2.83 2rl5A1 ASP 1079 HB3 -0.00 -0.05 0.13 -0.04 2.70 2.74 2rl5A1 ARG 1080 H -0.09 0.29 -0.20 -0.55 8.46 7.91 2rl5A1 ARG 1080 HA -0.13 0.23 0.37 -0.75 4.34 4.06 2rl5A1 ARG 1080 HB2 0.01 0.17 -0.05 -0.04 1.90 1.99 2rl5A1 ARG 1080 HB3 0.05 -0.09 0.20 -0.04 1.80 1.92 2rl5A1 ARG 1080 HG2 -0.01 0.05 -0.00 -0.04 1.67 1.67 2rl5A1 ARG 1080 HG3 -0.01 0.01 -0.32 -0.04 1.67 1.31 2rl5A1 ARG 1080 HD2 0.02 -0.01 -0.08 -0.04 3.22 3.11 2rl5A1 ARG 1080 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 2rl5A1 VAL 1081 H -0.13 0.17 -0.23 -0.55 8.24 7.51 2rl5A1 VAL 1081 HA 0.02 0.19 0.81 -0.75 4.13 4.40 2rl5A1 VAL 1081 HB 0.00 -0.01 -0.07 -0.04 2.12 2.01 2rl5A1 VAL 1081 HG13 -0.01 0.02 -0.15 -0.04 0.97 0.79 2rl5A1 VAL 1081 HG23 -0.05 -0.02 -0.23 -0.04 0.95 0.61 2rl5A1 TYR 1082 H 0.19 0.27 0.15 -0.55 8.29 8.35 2rl5A1 TYR 1082 HA 0.04 0.10 0.95 -0.75 4.56 4.91 2rl5A1 TYR 1082 HB2 0.03 0.05 0.11 -0.04 3.06 3.21 2rl5A1 TYR 1082 HB3 0.05 -0.07 -0.05 -0.04 2.98 2.87 2rl5A1 TYR 1082 HD2 0.05 -0.02 -0.04 -0.04 7.15 7.09 2rl5A1 TYR 1082 HE2 0.04 0.09 -0.04 -0.04 6.85 6.90 2rl5A1 THR 1083 H 0.14 0.16 0.21 -0.55 8.28 8.24 2rl5A1 THR 1083 HA 0.11 0.32 0.76 -0.75 4.39 4.82 2rl5A1 THR 1083 HB 0.07 0.01 0.13 -0.04 4.32 4.50 2rl5A1 THR 1083 HG23 0.05 0.05 -0.34 -0.04 1.22 0.95 2rl5A1 ILE 1084 H 0.10 0.31 0.15 -0.55 8.25 8.27 2rl5A1 ILE 1084 HA 0.20 0.06 0.43 -0.75 4.18 4.12 2rl5A1 ILE 1084 HB 0.11 0.11 0.14 -0.04 1.89 2.21 2rl5A1 ILE 1084 HG12 0.19 0.05 0.08 -0.04 1.49 1.77 2rl5A1 ILE 1084 HG13 0.33 -0.06 0.09 -0.04 1.21 1.53 2rl5A1 ILE 1084 HG23 0.07 0.01 -0.06 -0.04 0.93 0.91 2rl5A1 ILE 1084 HD13 0.20 0.03 0.11 -0.04 0.88 1.18 2rl5A1 GLN 1085 H 0.09 0.06 -0.37 -0.55 8.47 7.70 2rl5A1 GLN 1085 HA 0.03 0.19 0.56 -0.75 4.36 4.38 2rl5A1 GLN 1085 HB2 0.06 -0.07 -0.03 -0.04 2.15 2.08 2rl5A1 GLN 1085 HB3 0.07 0.21 0.08 -0.04 2.02 2.33 2rl5A1 GLN 1085 HG2 0.02 0.13 -0.13 -0.04 2.40 2.38 2rl5A1 GLN 1085 HG3 0.01 0.04 -0.06 -0.04 2.39 2.34 2rl5A1 GLN 1085 HE21 0.04 0.02 0.00 -0.04 6.97 6.99 2rl5A1 GLN 1085 HE22 0.03 0.07 -0.03 -0.04 7.69 7.71 2rl5A1 SER 1086 H 0.14 0.26 -0.14 -0.55 8.46 8.17 2rl5A1 SER 1086 HA 0.19 0.19 0.71 -0.75 4.49 4.82 2rl5A1 SER 1086 HB2 0.03 -0.00 0.19 -0.04 3.95 4.13 2rl5A1 SER 1086 HB3 0.03 0.03 0.15 -0.04 3.93 4.10 2rl5A1 ASP 1087 H 0.24 0.35 -0.13 -0.55 8.40 8.31 2rl5A1 ASP 1087 HA 0.36 0.02 0.46 -0.75 4.63 4.71 2rl5A1 ASP 1087 HB2 0.34 0.16 0.24 -0.04 2.71 3.41 2rl5A1 ASP 1087 HB3 0.48 0.03 0.02 -0.04 2.70 3.19 2rl5A1 VAL 1088 H 0.16 0.27 -0.26 -0.55 8.24 7.85 2rl5A1 VAL 1088 HA -0.05 -0.03 0.43 -0.75 4.13 3.73 2rl5A1 VAL 1088 HB -0.01 0.18 0.17 -0.04 2.12 2.42 2rl5A1 VAL 1088 HG13 -0.11 0.06 -0.06 -0.04 0.97 0.82 2rl5A1 VAL 1088 HG23 -0.85 0.07 0.09 -0.04 0.95 0.21 2rl5A1 TRP 1089 H 0.42 0.18 -0.39 -0.55 7.97 7.64 2rl5A1 TRP 1089 HA 0.32 0.30 0.41 -0.75 4.62 4.90 2rl5A1 TRP 1089 HB2 0.19 0.07 0.21 -0.04 3.23 3.67 2rl5A1 TRP 1089 HB3 0.20 0.12 0.25 -0.04 3.23 3.76 2rl5A1 TRP 1089 HD1 0.24 0.17 -0.54 -0.04 7.22 7.05 2rl5A1 TRP 1089 HE1 -0.04 0.08 -0.34 -0.04 10.20 9.86 2rl5A1 TRP 1089 HE3 0.21 0.13 0.01 -0.04 7.59 7.90 2rl5A1 TRP 1089 HZ2 -0.30 0.00 -0.03 -0.04 7.44 7.07 2rl5A1 TRP 1089 HZ3 0.13 0.24 -0.33 -0.04 7.13 7.12 2rl5A1 TRP 1089 HH2 -0.10 0.09 0.00 -0.04 7.19 7.14 2rl5A1 SER 1090 H 0.56 0.33 -0.13 -0.55 8.46 8.68 2rl5A1 SER 1090 HA 0.63 0.13 0.46 -0.75 4.49 4.95 2rl5A1 SER 1090 HB2 0.43 -0.02 0.21 -0.04 3.95 4.53 2rl5A1 SER 1090 HB3 0.47 0.18 0.15 -0.04 3.93 4.69 2rl5A1 PHE 1091 H 0.51 0.48 -0.29 -0.55 8.34 8.49 2rl5A1 PHE 1091 HA 0.26 -0.07 0.35 -0.75 4.62 4.40 2rl5A1 PHE 1091 HB2 0.45 -0.02 0.10 -0.04 3.15 3.64 2rl5A1 PHE 1091 HB3 0.17 0.28 0.13 -0.04 3.06 3.61 2rl5A1 PHE 1091 HD2 0.14 0.04 -0.09 -0.04 7.28 7.33 2rl5A1 PHE 1091 HE2 0.13 -0.03 -0.07 -0.04 7.38 7.37 2rl5A1 PHE 1091 HZ 0.18 0.14 0.00 -0.04 7.32 7.61 2rl5A1 GLY 1092 H 0.19 0.55 -0.40 -0.55 8.43 8.22 2rl5A1 GLY 1092 HA2 -0.34 -0.05 0.44 -0.51 4.01 3.55 2rl5A1 GLY 1092 HA3 -0.52 0.19 0.31 -0.51 4.01 3.48 2rl5A1 VAL 1093 H 0.40 0.44 -0.11 -0.55 8.24 8.41 2rl5A1 VAL 1093 HA 0.45 0.02 0.47 -0.75 4.13 4.32 2rl5A1 VAL 1093 HB 0.35 0.12 0.16 -0.04 2.12 2.71 2rl5A1 VAL 1093 HG13 -0.54 -0.03 -0.04 -0.04 0.97 0.32 2rl5A1 VAL 1093 HG23 0.07 0.08 0.09 -0.04 0.95 1.15 2rl5A1 LEU 1094 H 0.28 0.56 -0.25 -0.55 8.37 8.41 2rl5A1 LEU 1094 HA 0.33 -0.10 0.36 -0.75 4.35 4.18 2rl5A1 LEU 1094 HB2 0.25 0.14 -0.01 -0.04 1.64 1.98 2rl5A1 LEU 1094 HB3 -0.08 0.19 0.04 -0.04 1.64 1.75 2rl5A1 LEU 1094 HG 0.16 -0.14 -0.30 -0.04 1.64 1.32 2rl5A1 LEU 1094 HD13 0.17 0.01 -0.14 -0.04 0.93 0.93 2rl5A1 LEU 1094 HD23 0.09 -0.02 -0.12 -0.04 0.89 0.80 2rl5A1 LEU 1095 H -0.10 0.56 -0.22 -0.55 8.37 8.06 2rl5A1 LEU 1095 HA 0.06 -0.03 0.41 -0.75 4.35 4.04 2rl5A1 LEU 1095 HB2 -0.14 0.22 0.16 -0.04 1.64 1.83 2rl5A1 LEU 1095 HB3 -0.01 -0.08 -0.01 -0.04 1.64 1.51 2rl5A1 LEU 1095 HG -0.79 0.25 0.04 -0.04 1.64 1.11 2rl5A1 LEU 1095 HD13 -0.15 -0.01 -0.06 -0.04 0.93 0.67 2rl5A1 LEU 1095 HD23 -0.11 -0.03 -0.01 -0.04 0.89 0.70 2rl5A1 TRP 1096 H 0.34 0.50 -0.24 -0.55 7.97 8.01 2rl5A1 TRP 1096 HA 0.14 -0.01 0.31 -0.75 4.62 4.30 2rl5A1 TRP 1096 HB2 0.31 0.07 0.11 -0.04 3.23 3.67 2rl5A1 TRP 1096 HB3 0.13 0.16 0.13 -0.04 3.23 3.60 2rl5A1 TRP 1096 HD1 0.29 0.02 -0.03 -0.04 7.22 7.45 2rl5A1 TRP 1096 HE1 0.02 0.31 -0.07 -0.04 10.20 10.42 2rl5A1 TRP 1096 HE3 -0.01 0.09 -0.40 -0.04 7.59 7.23 2rl5A1 TRP 1096 HZ2 -0.05 0.01 -0.06 -0.04 7.44 7.30 2rl5A1 TRP 1096 HZ3 -0.04 0.04 -0.89 -0.04 7.13 6.20 2rl5A1 TRP 1096 HH2 -0.05 0.07 -0.20 -0.04 7.19 6.98 2rl5A1 GLU 1097 H 0.39 0.55 -0.22 -0.55 8.60 8.78 2rl5A1 GLU 1097 HA 0.17 0.07 0.32 -0.75 4.29 4.09 2rl5A1 GLU 1097 HB2 0.27 0.10 0.18 -0.04 2.09 2.60 2rl5A1 GLU 1097 HB3 0.21 -0.12 -0.02 -0.04 1.99 2.01 2rl5A1 GLU 1097 HG2 0.45 0.20 0.01 -0.04 2.34 2.96 2rl5A1 GLU 1097 HG3 0.48 0.19 0.01 -0.04 2.34 2.97 2rl5A1 ILE 1098 H 0.09 0.68 -0.13 -0.55 8.25 8.34 2rl5A1 ILE 1098 HA -0.07 -0.02 0.40 -0.75 4.18 3.73 2rl5A1 ILE 1098 HB 0.02 0.11 0.18 -0.04 1.89 2.15 2rl5A1 ILE 1098 HG12 0.02 -0.06 -0.01 -0.04 1.49 1.39 2rl5A1 ILE 1098 HG13 0.05 0.17 0.04 -0.04 1.21 1.43 2rl5A1 ILE 1098 HG23 -0.37 0.00 -0.11 -0.04 0.93 0.41 2rl5A1 ILE 1098 HD13 0.08 -0.02 -0.12 -0.04 0.88 0.78 2rl5A1 PHE 1099 H 0.11 0.76 -0.15 -0.55 8.34 8.50 2rl5A1 PHE 1099 HA -0.12 0.13 0.53 -0.75 4.62 4.41 2rl5A1 PHE 1099 HB2 -0.13 0.16 0.01 -0.04 3.15 3.15 2rl5A1 PHE 1099 HB3 -0.11 -0.11 -0.07 -0.04 3.06 2.73 2rl5A1 PHE 1099 HD2 -0.03 0.26 -0.12 -0.04 7.28 7.35 2rl5A1 PHE 1099 HE2 0.01 0.01 -0.05 -0.04 7.38 7.31 2rl5A1 PHE 1099 HZ 0.01 -0.04 -0.22 -0.04 7.32 7.03 2rl5A1 SER 1100 H -0.23 0.31 -0.67 -0.55 8.46 7.33 2rl5A1 SER 1100 HA -0.19 -0.04 0.74 -0.75 4.49 4.25 2rl5A1 SER 1100 HB2 -0.70 -0.07 0.10 -0.04 3.95 3.23 2rl5A1 SER 1100 HB3 -1.34 0.13 -0.03 -0.04 3.93 2.65 2rl5A1 LEU 1101 H -0.22 0.21 -0.21 -0.55 8.37 7.61 2rl5A1 LEU 1101 HA -0.23 0.07 0.34 -0.75 4.35 3.78 2rl5A1 LEU 1101 HB2 -0.31 0.11 -0.18 -0.04 1.64 1.23 2rl5A1 LEU 1101 HB3 -0.30 0.07 0.00 -0.04 1.64 1.38 2rl5A1 LEU 1101 HG -1.08 -0.08 -0.23 -0.04 1.64 0.22 2rl5A1 LEU 1101 HD13 -0.87 0.01 -0.18 -0.04 0.93 -0.16 2rl5A1 LEU 1101 HD23 -0.40 0.04 0.00 -0.04 0.89 0.48 2rl5A1 GLY 1102 H -0.07 0.49 0.06 -0.55 8.43 8.36 2rl5A1 GLY 1102 HA2 0.04 -0.11 0.28 -0.51 4.01 3.72 2rl5A1 GLY 1102 HA3 -0.01 0.09 0.39 -0.51 4.01 3.97 2rl5A1 ALA 1103 H -0.08 0.04 -0.41 -0.55 8.40 7.41 2rl5A1 ALA 1103 HA 0.07 0.09 0.42 -0.75 4.34 4.17 2rl5A1 ALA 1103 HB3 -0.05 0.02 -0.01 -0.04 1.41 1.33 2rl5A1 SER 1104 H 0.19 0.10 0.09 -0.55 8.46 8.30 2rl5A1 SER 1104 HA 0.23 0.15 0.64 -0.75 4.49 4.76 2rl5A1 SER 1104 HB2 0.12 -0.00 0.05 -0.04 3.95 4.08 2rl5A1 SER 1104 HB3 0.10 -0.08 0.09 -0.04 3.93 4.00 2rl5A1 PRO 1105 HA -1.12 -0.04 0.32 -0.51 4.44 3.09 2rl5A1 PRO 1105 HB2 -0.65 0.03 -0.01 -0.04 2.28 1.61 2rl5A1 PRO 1105 HB3 -0.84 0.06 0.04 -0.04 2.02 1.23 2rl5A1 PRO 1105 HG2 -0.84 -0.01 0.00 -0.04 2.03 1.14 2rl5A1 PRO 1105 HG3 -0.01 0.04 0.01 -0.04 2.03 2.02 2rl5A1 PRO 1105 HD2 -0.00 0.09 0.14 -0.04 3.68 3.87 2rl5A1 PRO 1105 HD3 0.28 0.27 0.26 -0.04 3.65 4.42 2rl5A1 TYR 1106 H -1.30 0.06 0.12 -0.55 8.29 6.63 2rl5A1 TYR 1106 HA -0.31 -0.01 0.32 -0.75 4.56 3.80 2rl5A1 TYR 1106 HB2 -0.35 0.20 -0.01 -0.04 3.06 2.86 2rl5A1 TYR 1106 HB3 -0.22 -0.06 0.07 -0.04 2.98 2.74 2rl5A1 TYR 1106 HD2 -0.26 0.00 -0.15 -0.04 7.15 6.70 2rl5A1 TYR 1106 HE2 -0.26 0.16 -0.02 -0.04 6.85 6.69 2rl5A1 PRO 1107 HA 0.03 0.04 0.34 -0.51 4.44 4.33 2rl5A1 PRO 1107 HB2 0.06 -0.02 0.07 -0.04 2.28 2.35 2rl5A1 PRO 1107 HB3 0.10 0.01 0.06 -0.04 2.02 2.15 2rl5A1 PRO 1107 HG2 0.26 0.00 0.04 -0.04 2.03 2.30 2rl5A1 PRO 1107 HG3 0.32 0.18 0.05 -0.04 2.03 2.54 2rl5A1 PRO 1107 HD2 -0.09 0.05 0.13 -0.04 3.68 3.73 2rl5A1 PRO 1107 HD3 -0.47 -0.06 0.18 -0.04 3.65 3.26 2rl5A1 GLY 1108 H 0.01 0.13 0.15 -0.55 8.43 8.18 2rl5A1 GLY 1108 HA2 -0.00 -0.02 0.33 -0.51 4.01 3.80 2rl5A1 GLY 1108 HA3 0.01 0.00 0.30 -0.51 4.01 3.81 2rl5A1 VAL 1109 H -0.02 0.48 -0.66 -0.55 8.24 7.49 2rl5A1 VAL 1109 HA -0.02 0.00 0.56 -0.75 4.13 3.92 2rl5A1 VAL 1109 HB -0.05 0.09 -0.02 -0.04 2.12 2.10 2rl5A1 VAL 1109 HG13 0.02 0.01 -0.15 -0.04 0.97 0.80 2rl5A1 VAL 1109 HG23 0.05 0.05 -0.14 -0.04 0.95 0.86 2rl5A1 LYS 1110 H -0.04 0.08 0.15 -0.55 8.42 8.06 2rl5A1 LYS 1110 HA -0.09 0.11 0.48 -0.75 4.32 4.07 2rl5A1 LYS 1110 HB2 -0.03 -0.09 0.12 -0.04 1.87 1.84 2rl5A1 LYS 1110 HB3 -0.04 -0.02 -0.02 -0.04 1.79 1.67 2rl5A1 LYS 1110 HG2 -0.03 0.08 -0.01 -0.04 1.46 1.46 2rl5A1 LYS 1110 HG3 -0.02 0.04 0.09 -0.04 1.46 1.53 2rl5A1 LYS 1110 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.62 2rl5A1 LYS 1110 HD3 -0.01 0.03 0.01 -0.04 1.68 1.67 2rl5A1 LYS 1110 HE2 -0.01 0.03 0.03 -0.04 2.99 2.99 2rl5A1 LYS 1110 HE3 -0.01 -0.09 0.01 -0.04 2.99 2.86 2rl5A1 ILE 1111 H -0.17 0.20 0.08 -0.55 8.25 7.81 2rl5A1 ILE 1111 HA -0.55 0.14 0.68 -0.75 4.18 3.70 2rl5A1 ILE 1111 HB -0.20 -0.03 0.20 -0.04 1.89 1.83 2rl5A1 ILE 1111 HG12 -0.29 0.06 0.04 -0.04 1.49 1.26 2rl5A1 ILE 1111 HG13 -0.34 -0.00 -0.01 -0.04 1.21 0.82 2rl5A1 ILE 1111 HG23 -0.40 -0.01 -0.06 -0.04 0.93 0.41 2rl5A1 ILE 1111 HD13 -1.09 0.02 -0.27 -0.04 0.88 -0.49 2rl5A1 ASP 1112 H -0.02 0.27 -0.20 -0.55 8.40 7.91 2rl5A1 ASP 1112 HA -0.01 0.27 0.76 -0.75 4.63 4.89 2rl5A1 ASP 1112 HB2 0.00 -0.10 0.18 -0.04 2.71 2.75 2rl5A1 ASP 1112 HB3 -0.02 0.09 -0.07 -0.04 2.70 2.66 2rl5A1 GLU 1113 H 0.02 0.19 0.14 -0.55 8.60 8.40 2rl5A1 GLU 1113 HA 0.04 0.16 0.45 -0.75 4.29 4.19 2rl5A1 GLU 1113 HB2 0.02 -0.02 0.14 -0.04 2.09 2.19 2rl5A1 GLU 1113 HB3 0.04 0.05 0.01 -0.04 1.99 2.04 2rl5A1 GLU 1113 HG2 0.01 -0.01 0.06 -0.04 2.34 2.36 2rl5A1 GLU 1113 HG3 0.02 0.05 0.03 -0.04 2.34 2.40 2rl5A1 GLU 1114 H 0.03 0.10 -0.08 -0.55 8.60 8.10 2rl5A1 GLU 1114 HA 0.01 0.10 0.40 -0.75 4.29 4.05 2rl5A1 GLU 1114 HB2 0.01 -0.00 0.10 -0.04 2.09 2.16 2rl5A1 GLU 1114 HB3 0.03 0.04 0.00 -0.04 1.99 2.02 2rl5A1 GLU 1114 HG2 -0.00 -0.01 0.01 -0.04 2.34 2.30 2rl5A1 GLU 1114 HG3 0.00 0.02 0.04 -0.04 2.34 2.36 2rl5A1 PHE 1115 H 0.13 0.07 -0.45 -0.55 8.34 7.54 2rl5A1 PHE 1115 HA -0.11 0.07 0.36 -0.75 4.62 4.19 2rl5A1 PHE 1115 HB2 -0.13 0.16 0.16 -0.04 3.15 3.29 2rl5A1 PHE 1115 HB3 -0.13 0.20 0.12 -0.04 3.06 3.21 2rl5A1 PHE 1115 HD2 -0.25 -0.02 -0.13 -0.04 7.28 6.84 2rl5A1 PHE 1115 HE2 -0.85 0.04 -0.14 -0.04 7.38 6.40 2rl5A1 PHE 1115 HZ -1.29 0.07 -0.09 -0.04 7.32 5.97 2rl5A1 CYS 1116 H 0.06 0.31 -0.12 -0.55 8.50 8.20 2rl5A1 CYS 1116 HA -0.34 0.09 0.39 -0.75 4.58 3.96 2rl5A1 CYS 1116 HB2 0.04 0.07 0.09 -0.04 2.97 3.13 2rl5A1 CYS 1116 HB3 -0.32 -0.01 0.02 -0.04 2.97 2.61 2rl5A1 ARG 1117 H 0.01 0.41 -0.30 -0.55 8.46 8.02 2rl5A1 ARG 1117 HA 0.04 0.05 0.44 -0.75 4.34 4.11 2rl5A1 ARG 1117 HB2 0.02 0.02 0.09 -0.04 1.90 1.99 2rl5A1 ARG 1117 HB3 -0.01 0.07 0.19 -0.04 1.80 2.01 2rl5A1 ARG 1117 HG2 -0.04 0.01 -0.17 -0.04 1.67 1.43 2rl5A1 ARG 1117 HG3 -0.04 -0.01 0.02 -0.04 1.67 1.60 2rl5A1 ARG 1117 HD2 -0.03 -0.00 -0.03 -0.04 3.22 3.12 2rl5A1 ARG 1117 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2rl5A1 ARG 1118 H -0.09 0.69 0.02 -0.55 8.46 8.52 2rl5A1 ARG 1118 HA -0.07 0.03 0.47 -0.75 4.34 4.01 2rl5A1 ARG 1118 HB2 -0.13 0.11 0.11 -0.04 1.90 1.95 2rl5A1 ARG 1118 HB3 -0.07 -0.05 0.06 -0.04 1.80 1.70 2rl5A1 ARG 1118 HG2 -0.04 -0.03 0.02 -0.04 1.67 1.58 2rl5A1 ARG 1118 HG3 -0.04 0.04 0.09 -0.04 1.67 1.72 2rl5A1 ARG 1118 HD2 -0.01 -0.06 -0.02 -0.04 3.22 3.08 2rl5A1 ARG 1118 HD3 -0.01 -0.00 -0.10 -0.04 3.22 3.07 2rl5A1 LEU 1119 H -0.29 0.41 -0.38 -0.55 8.37 7.57 2rl5A1 LEU 1119 HA -0.21 0.19 0.50 -0.75 4.35 4.07 2rl5A1 LEU 1119 HB2 -0.88 0.10 0.09 -0.04 1.64 0.91 2rl5A1 LEU 1119 HB3 -0.35 0.03 0.13 -0.04 1.64 1.42 2rl5A1 LEU 1119 HG -0.16 -0.04 -0.08 -0.04 1.64 1.32 2rl5A1 LEU 1119 HD13 -0.15 0.05 0.05 -0.04 0.93 0.84 2rl5A1 LEU 1119 HD23 -0.36 -0.01 -0.05 -0.04 0.89 0.42 2rl5A1 LYS 1120 H -0.04 0.44 -0.13 -0.55 8.42 8.14 2rl5A1 LYS 1120 HA -0.03 0.05 0.54 -0.75 4.32 4.13 2rl5A1 LYS 1120 HB2 0.18 0.04 0.16 -0.04 1.87 2.22 2rl5A1 LYS 1120 HB3 -0.09 0.09 0.10 -0.04 1.79 1.86 2rl5A1 LYS 1120 HG2 -0.12 -0.01 0.01 -0.04 1.46 1.30 2rl5A1 LYS 1120 HG3 -0.05 -0.04 0.10 -0.04 1.46 1.43 2rl5A1 LYS 1120 HD2 -0.74 -0.01 0.00 -0.04 1.69 0.90 2rl5A1 LYS 1120 HD3 -0.54 -0.00 -0.00 -0.04 1.68 1.09 2rl5A1 LYS 1120 HE2 -0.19 -0.00 -0.01 -0.04 2.99 2.75 2rl5A1 LYS 1120 HE3 -0.14 -0.03 -0.02 -0.04 2.99 2.76 2rl5A1 GLU 1121 H -0.06 0.19 -0.44 -0.55 8.60 7.74 2rl5A1 GLU 1121 HA -0.04 0.07 0.60 -0.75 4.29 4.16 2rl5A1 GLU 1121 HB2 -0.05 0.02 0.15 -0.04 2.09 2.17 2rl5A1 GLU 1121 HB3 -0.03 -0.06 0.08 -0.04 1.99 1.94 2rl5A1 GLU 1121 HG2 -0.05 -0.05 0.03 -0.04 2.34 2.24 2rl5A1 GLU 1121 HG3 -0.06 0.11 0.01 -0.04 2.34 2.36 2rl5A1 GLY 1122 H -0.03 0.29 -0.45 -0.55 8.43 7.70 2rl5A1 GLY 1122 HA2 0.02 0.03 0.22 -0.51 4.01 3.77 2rl5A1 GLY 1122 HA3 -0.01 0.13 0.90 -0.51 4.01 4.52 2rl5A1 THR 1123 H -0.05 0.59 0.16 -0.55 8.28 8.44 2rl5A1 THR 1123 HA -0.01 -0.00 0.48 -0.75 4.39 4.10 2rl5A1 THR 1123 HB -0.11 -0.03 -0.18 -0.04 4.32 3.96 2rl5A1 THR 1123 HG23 -0.01 -0.02 -0.17 -0.04 1.22 0.98 2rl5A1 ARG 1124 H 0.02 0.15 0.21 -0.55 8.46 8.30 2rl5A1 ARG 1124 HA -0.13 0.16 0.85 -0.75 4.34 4.46 2rl5A1 ARG 1124 HB2 0.11 -0.04 0.02 -0.04 1.90 1.95 2rl5A1 ARG 1124 HB3 0.12 -0.01 0.05 -0.04 1.80 1.92 2rl5A1 ARG 1124 HG2 0.05 0.19 -0.43 -0.04 1.67 1.44 2rl5A1 ARG 1124 HG3 0.13 -0.04 -0.06 -0.04 1.67 1.66 2rl5A1 ARG 1124 HD2 0.02 -0.08 0.00 -0.04 3.22 3.11 2rl5A1 ARG 1124 HD3 -0.11 0.09 -0.01 -0.04 3.22 3.15 2rl5A1 MET 1125 H -0.47 0.12 0.10 -0.55 8.47 7.68 2rl5A1 MET 1125 HA -0.12 0.02 0.45 -0.75 4.52 4.12 2rl5A1 MET 1125 HB2 -0.52 -0.00 0.08 -0.04 2.15 1.66 2rl5A1 MET 1125 HB3 -0.41 0.15 0.03 -0.04 2.03 1.76 2rl5A1 MET 1125 HG2 -0.80 -0.02 0.08 -0.04 2.63 1.85 2rl5A1 MET 1125 HG3 -1.37 0.05 0.05 -0.04 2.56 1.25 2rl5A1 MET 1125 HE3 -1.24 0.04 0.02 -0.04 2.10 0.88 2rl5A1 ARG 1126 H 0.07 0.04 0.14 -0.55 8.46 8.16 2rl5A1 ARG 1126 HA 0.16 0.11 0.55 -0.75 4.34 4.40 2rl5A1 ARG 1126 HB2 0.09 0.00 0.02 -0.04 1.90 1.97 2rl5A1 ARG 1126 HB3 0.00 -0.01 0.11 -0.04 1.80 1.86 2rl5A1 ARG 1126 HG2 0.07 0.05 -0.00 -0.04 1.67 1.74 2rl5A1 ARG 1126 HG3 0.05 -0.03 0.06 -0.04 1.67 1.72 2rl5A1 ARG 1126 HD2 0.03 0.00 0.01 -0.04 3.22 3.22 2rl5A1 ARG 1126 HD3 0.02 -0.00 0.02 -0.04 3.22 3.21 2rl5A1 ALA 1127 H -0.39 0.06 0.10 -0.55 8.40 7.63 2rl5A1 ALA 1127 HA -0.38 0.08 0.43 -0.75 4.34 3.71 2rl5A1 ALA 1127 HB3 -0.84 -0.01 0.05 -0.04 1.41 0.58 2rl5A1 PRO 1128 HA -0.19 0.06 0.45 -0.51 4.44 4.26 2rl5A1 PRO 1128 HB2 -0.57 0.08 -0.12 -0.04 2.28 1.63 2rl5A1 PRO 1128 HB3 -1.52 0.05 0.02 -0.04 2.02 0.53 2rl5A1 PRO 1128 HG2 -0.17 -0.07 -0.05 -0.04 2.03 1.70 2rl5A1 PRO 1128 HG3 -0.36 0.03 -0.04 -0.04 2.03 1.62 2rl5A1 PRO 1128 HD2 0.01 -0.02 0.18 -0.04 3.68 3.81 2rl5A1 PRO 1128 HD3 0.29 0.23 0.16 -0.04 3.65 4.30 2rl5A1 ASP 1129 H -0.34 0.11 0.17 -0.55 8.40 7.80 2rl5A1 ASP 1129 HA -0.31 0.09 0.32 -0.75 4.63 3.97 2rl5A1 ASP 1129 HB2 -1.03 0.02 0.12 -0.04 2.71 1.77 2rl5A1 ASP 1129 HB3 -0.87 0.02 0.01 -0.04 2.70 1.82 2rl5A1 TYR 1130 H -0.24 0.40 -0.02 -0.55 8.29 7.87 2rl5A1 TYR 1130 HA -0.06 0.21 0.85 -0.75 4.56 4.80 2rl5A1 TYR 1130 HB2 -0.30 0.00 -0.07 -0.04 3.06 2.65 2rl5A1 TYR 1130 HB3 -0.46 -0.07 0.06 -0.04 2.98 2.46 2rl5A1 TYR 1130 HD2 -0.31 -0.00 -0.25 -0.04 7.15 6.54 2rl5A1 TYR 1130 HE2 -0.16 0.09 -0.12 -0.04 6.85 6.61 2rl5A1 THR 1131 H -0.07 0.29 -0.35 -0.55 8.28 7.61 2rl5A1 THR 1131 HA -0.09 -0.01 0.39 -0.75 4.39 3.93 2rl5A1 THR 1131 HB -0.09 0.05 0.02 -0.04 4.32 4.26 2rl5A1 THR 1131 HG23 -0.12 0.03 -0.27 -0.04 1.22 0.81 2rl5A1 THR 1132 H -0.28 0.02 0.20 -0.55 8.28 7.67 2rl5A1 THR 1132 HA -0.02 0.31 0.80 -0.75 4.39 4.73 2rl5A1 THR 1132 HB -0.02 0.04 0.16 -0.04 4.32 4.46 2rl5A1 THR 1132 HG23 0.01 0.05 -0.02 -0.04 1.22 1.21 2rl5A1 PRO 1133 HA 0.04 0.13 0.43 -0.51 4.44 4.52 2rl5A1 PRO 1133 HB2 0.01 -0.01 0.09 -0.04 2.28 2.33 2rl5A1 PRO 1133 HB3 0.02 0.07 0.08 -0.04 2.02 2.16 2rl5A1 PRO 1133 HG2 0.01 0.07 0.09 -0.04 2.03 2.16 2rl5A1 PRO 1133 HG3 0.00 0.10 0.06 -0.04 2.03 2.16 2rl5A1 PRO 1133 HD2 0.00 0.08 0.22 -0.04 3.68 3.93 2rl5A1 PRO 1133 HD3 0.00 0.24 0.21 -0.04 3.65 4.06 2rl5A1 GLU 1134 H -0.02 0.15 -0.14 -0.55 8.60 8.05 2rl5A1 GLU 1134 HA 0.02 0.13 0.43 -0.75 4.29 4.11 2rl5A1 GLU 1134 HB2 -0.04 -0.02 0.04 -0.04 2.09 2.03 2rl5A1 GLU 1134 HB3 0.05 0.04 -0.01 -0.04 1.99 2.03 2rl5A1 GLU 1134 HG2 0.02 0.06 0.01 -0.04 2.34 2.38 2rl5A1 GLU 1134 HG3 0.03 0.03 0.00 -0.04 2.34 2.37 2rl5A1 MET 1135 H -0.14 0.08 -0.19 -0.55 8.47 7.68 2rl5A1 MET 1135 HA -0.15 0.08 0.43 -0.75 4.52 4.12 2rl5A1 MET 1135 HB2 -0.51 -0.13 0.16 -0.04 2.15 1.63 2rl5A1 MET 1135 HB3 -0.66 0.08 -0.00 -0.04 2.03 1.41 2rl5A1 MET 1135 HG2 -0.26 -0.06 0.03 -0.04 2.63 2.29 2rl5A1 MET 1135 HG3 -0.89 0.06 0.02 -0.04 2.56 1.70 2rl5A1 MET 1135 HE3 -0.17 0.01 0.03 -0.04 2.10 1.93 2rl5A1 TYR 1136 H 0.00 0.43 -0.26 -0.55 8.29 7.91 2rl5A1 TYR 1136 HA -0.15 0.09 0.47 -0.75 4.56 4.22 2rl5A1 TYR 1136 HB2 -0.08 0.02 0.05 -0.04 3.06 3.01 2rl5A1 TYR 1136 HB3 -0.06 0.11 0.08 -0.04 2.98 3.07 2rl5A1 TYR 1136 HD2 0.02 0.00 -0.03 -0.04 7.15 7.10 2rl5A1 TYR 1136 HE2 0.17 0.08 -0.19 -0.04 6.85 6.87 2rl5A1 GLN 1137 H -0.05 0.37 -0.16 -0.55 8.47 8.09 2rl5A1 GLN 1137 HA -0.26 0.07 0.46 -0.75 4.36 3.87 2rl5A1 GLN 1137 HB2 -0.03 0.05 0.12 -0.04 2.15 2.25 2rl5A1 GLN 1137 HB3 -0.04 0.08 0.16 -0.04 2.02 2.17 2rl5A1 GLN 1137 HG2 -0.04 -0.02 -0.01 -0.04 2.40 2.29 2rl5A1 GLN 1137 HG3 -0.08 -0.01 -0.14 -0.04 2.39 2.12 2rl5A1 GLN 1137 HE21 -0.07 0.04 -0.02 -0.04 6.97 6.87 2rl5A1 GLN 1137 HE22 -0.09 -0.02 -0.02 -0.04 7.69 7.53 2rl5A1 THR 1138 H -0.11 0.44 -0.23 -0.55 8.28 7.83 2rl5A1 THR 1138 HA -0.12 0.03 0.41 -0.75 4.39 3.96 2rl5A1 THR 1138 HB -0.07 0.12 0.13 -0.04 4.32 4.45 2rl5A1 THR 1138 HG23 0.05 -0.01 -0.10 -0.04 1.22 1.12 2rl5A1 MET 1139 H -0.36 0.38 -0.30 -0.55 8.47 7.65 2rl5A1 MET 1139 HA -0.82 -0.01 0.44 -0.75 4.52 3.38 2rl5A1 MET 1139 HB2 -0.60 0.20 0.19 -0.04 2.15 1.90 2rl5A1 MET 1139 HB3 -1.63 -0.00 -0.03 -0.04 2.03 0.32 2rl5A1 MET 1139 HG2 -0.37 0.06 0.08 -0.04 2.63 2.36 2rl5A1 MET 1139 HG3 -0.27 0.12 0.07 -0.04 2.56 2.44 2rl5A1 MET 1139 HE3 -0.05 -0.03 -0.32 -0.04 2.10 1.65 2rl5A1 LEU 1140 H -0.58 0.43 -0.22 -0.55 8.37 7.46 2rl5A1 LEU 1140 HA -0.18 0.05 0.34 -0.75 4.35 3.82 2rl5A1 LEU 1140 HB2 -0.28 0.11 0.15 -0.04 1.64 1.57 2rl5A1 LEU 1140 HB3 -0.14 -0.04 0.00 -0.04 1.64 1.42 2rl5A1 LEU 1140 HG -0.93 0.22 0.07 -0.04 1.64 0.96 2rl5A1 LEU 1140 HD13 -0.25 -0.04 -0.03 -0.04 0.93 0.58 2rl5A1 LEU 1140 HD23 0.02 0.00 -0.04 -0.04 0.89 0.83 2rl5A1 ASP 1141 H -0.26 0.36 -0.34 -0.55 8.40 7.61 2rl5A1 ASP 1141 HA -0.02 0.03 0.43 -0.75 4.63 4.31 2rl5A1 ASP 1141 HB2 -0.13 0.10 0.18 -0.04 2.71 2.82 2rl5A1 ASP 1141 HB3 -0.07 -0.05 0.06 -0.04 2.70 2.59 2rl5A1 CYS 1142 H -0.35 0.49 -0.14 -0.55 8.50 7.95 2rl5A1 CYS 1142 HA -0.05 -0.01 0.43 -0.75 4.58 4.20 2rl5A1 CYS 1142 HB2 -0.64 0.10 0.18 -0.04 2.97 2.56 2rl5A1 CYS 1142 HB3 -0.12 0.09 0.07 -0.04 2.97 2.97 2rl5A1 TRP 1143 H -0.28 0.29 -0.56 -0.55 7.97 6.88 2rl5A1 TRP 1143 HA -0.86 0.10 0.71 -0.75 4.62 3.82 2rl5A1 TRP 1143 HB2 -0.38 0.04 0.07 -0.04 3.23 2.93 2rl5A1 TRP 1143 HB3 -0.83 -0.04 0.14 -0.04 3.23 2.46 2rl5A1 TRP 1143 HD1 -1.87 0.05 -0.15 -0.04 7.22 5.21 2rl5A1 TRP 1143 HE1 -0.54 -0.08 -0.10 -0.04 10.20 9.44 2rl5A1 TRP 1143 HE3 -0.25 0.02 -0.11 -0.04 7.59 7.21 2rl5A1 TRP 1143 HZ2 -0.18 -0.03 -0.33 -0.04 7.44 6.87 2rl5A1 TRP 1143 HZ3 -0.04 0.11 -0.10 -0.04 7.13 7.06 2rl5A1 TRP 1143 HH2 -0.04 -0.02 -0.07 -0.04 7.19 7.02 2rl5A1 HIS 1144 H 0.27 0.28 -0.59 -0.55 8.41 7.83 2rl5A1 HIS 1144 HA 0.16 0.01 0.40 -0.75 4.63 4.45 2rl5A1 HIS 1144 HB2 0.06 0.23 0.05 -0.04 3.26 3.56 2rl5A1 HIS 1144 HB3 0.12 0.01 -0.16 -0.04 3.20 3.13 2rl5A1 HIS 1144 HD2 0.02 0.05 0.02 -0.04 6.97 7.01 2rl5A1 HIS 1144 HE1 0.04 -0.02 0.03 -0.04 7.75 7.75 2rl5A1 GLY 1145 H -0.16 0.11 0.16 -0.55 8.43 8.00 2rl5A1 GLY 1145 HA2 0.19 0.10 0.38 -0.51 4.01 4.17 2rl5A1 GLY 1145 HA3 0.08 0.01 0.33 -0.51 4.01 3.93 2rl5A1 GLU 1146 H 0.90 0.06 -0.24 -0.55 8.60 8.77 2rl5A1 GLU 1146 HA 0.12 0.20 0.76 -0.75 4.29 4.61 2rl5A1 GLU 1146 HB2 0.09 0.02 0.10 -0.04 2.09 2.25 2rl5A1 GLU 1146 HB3 0.03 -0.11 -0.02 -0.04 1.99 1.85 2rl5A1 GLU 1146 HG2 0.18 0.01 -0.04 -0.04 2.34 2.45 2rl5A1 GLU 1146 HG3 0.08 0.00 -0.01 -0.04 2.34 2.38 2rl5A1 PRO 1147 HA 0.12 0.18 0.34 -0.51 4.44 4.57 2rl5A1 PRO 1147 HB2 0.03 -0.04 0.07 -0.04 2.28 2.30 2rl5A1 PRO 1147 HB3 0.05 -0.06 0.02 -0.04 2.02 1.98 2rl5A1 PRO 1147 HG2 0.02 0.00 0.08 -0.04 2.03 2.10 2rl5A1 PRO 1147 HG3 0.04 0.06 0.08 -0.04 2.03 2.17 2rl5A1 PRO 1147 HD2 0.04 0.01 0.23 -0.04 3.68 3.93 2rl5A1 PRO 1147 HD3 0.07 0.51 0.41 -0.04 3.65 4.60 2rl5A1 SER 1148 H 0.01 0.08 -0.22 -0.55 8.46 7.79 2rl5A1 SER 1148 HA -0.01 0.07 0.39 -0.75 4.49 4.19 2rl5A1 SER 1148 HB2 -0.02 0.02 0.07 -0.04 3.95 3.98 2rl5A1 SER 1148 HB3 -0.00 -0.04 0.06 -0.04 3.93 3.91 2rl5A1 GLN 1149 H -0.11 0.43 -0.44 -0.55 8.47 7.80 2rl5A1 GLN 1149 HA -0.17 0.10 0.71 -0.75 4.36 4.25 2rl5A1 GLN 1149 HB2 -1.19 0.07 0.04 -0.04 2.15 1.03 2rl5A1 GLN 1149 HB3 -0.76 -0.02 0.13 -0.04 2.02 1.33 2rl5A1 GLN 1149 HG2 -0.18 -0.10 -0.06 -0.04 2.40 2.02 2rl5A1 GLN 1149 HG3 -0.26 -0.02 0.00 -0.04 2.39 2.07 2rl5A1 GLN 1149 HE21 -0.05 0.02 -0.15 -0.04 6.97 6.74 2rl5A1 GLN 1149 HE22 -0.07 -0.14 -0.31 -0.04 7.69 7.14 2rl5A1 ARG 1150 H -0.04 0.32 -0.29 -0.55 8.46 7.89 2rl5A1 ARG 1150 HA 0.00 0.23 0.65 -0.75 4.34 4.47 2rl5A1 ARG 1150 HB2 0.04 0.04 0.17 -0.04 1.90 2.11 2rl5A1 ARG 1150 HB3 0.02 -0.01 0.10 -0.04 1.80 1.87 2rl5A1 ARG 1150 HG2 0.20 0.03 0.00 -0.04 1.67 1.86 2rl5A1 ARG 1150 HG3 0.18 -0.02 -0.09 -0.04 1.67 1.70 2rl5A1 ARG 1150 HD2 0.18 -0.11 0.13 -0.04 3.22 3.39 2rl5A1 ARG 1150 HD3 0.33 0.09 0.11 -0.04 3.22 3.70 2rl5A1 PRO 1151 HA -0.06 0.05 0.47 -0.51 4.44 4.39 2rl5A1 PRO 1151 HB2 -0.06 -0.04 -0.03 -0.04 2.28 2.10 2rl5A1 PRO 1151 HB3 -0.07 0.03 0.05 -0.04 2.02 1.99 2rl5A1 PRO 1151 HG2 -0.08 -0.02 -0.08 -0.04 2.03 1.81 2rl5A1 PRO 1151 HG3 -0.06 0.02 -0.05 -0.04 2.03 1.90 2rl5A1 PRO 1151 HD2 -0.04 0.16 -0.00 -0.04 3.68 3.76 2rl5A1 PRO 1151 HD3 -0.05 0.18 0.05 -0.04 3.65 3.78 2rl5A1 THR 1152 H -0.06 0.05 0.19 -0.55 8.28 7.92 2rl5A1 THR 1152 HA -0.15 0.25 0.72 -0.75 4.39 4.46 2rl5A1 THR 1152 HB -0.00 0.00 0.15 -0.04 4.32 4.43 2rl5A1 THR 1152 HG23 -0.02 0.06 0.03 -0.04 1.22 1.25 2rl5A1 PHE 1153 H -0.08 0.24 0.13 -0.55 8.34 8.09 2rl5A1 PHE 1153 HA -0.12 0.10 0.37 -0.75 4.62 4.22 2rl5A1 PHE 1153 HB2 -0.06 0.02 0.08 -0.04 3.15 3.15 2rl5A1 PHE 1153 HB3 -0.11 0.11 0.02 -0.04 3.06 3.04 2rl5A1 PHE 1153 HD2 -0.26 -0.01 0.03 -0.04 7.28 7.00 2rl5A1 PHE 1153 HE2 -0.34 0.02 -0.00 -0.04 7.38 7.01 2rl5A1 PHE 1153 HZ 0.06 0.04 -0.32 -0.04 7.32 7.05 2rl5A1 SER 1154 H 0.09 0.09 -0.25 -0.55 8.46 7.84 2rl5A1 SER 1154 HA 0.08 0.12 0.43 -0.75 4.49 4.37 2rl5A1 SER 1154 HB2 0.04 -0.05 0.07 -0.04 3.95 3.98 2rl5A1 SER 1154 HB3 0.05 0.06 -0.01 -0.04 3.93 3.98 2rl5A1 GLU 1155 H 0.02 0.12 -0.19 -0.55 8.60 8.01 2rl5A1 GLU 1155 HA 0.05 0.07 0.46 -0.75 4.29 4.11 2rl5A1 GLU 1155 HB2 -0.02 0.08 0.16 -0.04 2.09 2.26 2rl5A1 GLU 1155 HB3 -0.01 0.04 0.08 -0.04 1.99 2.06 2rl5A1 GLU 1155 HG2 0.00 0.05 0.04 -0.04 2.34 2.40 2rl5A1 GLU 1155 HG3 0.01 -0.10 0.08 -0.04 2.34 2.28 2rl5A1 LEU 1156 H 0.04 0.40 -0.27 -0.55 8.37 7.99 2rl5A1 LEU 1156 HA 0.15 0.03 0.44 -0.75 4.35 4.21 2rl5A1 LEU 1156 HB2 0.04 0.06 0.12 -0.04 1.64 1.83 2rl5A1 LEU 1156 HB3 0.12 -0.02 -0.02 -0.04 1.64 1.68 2rl5A1 LEU 1156 HG -0.05 0.04 -0.20 -0.04 1.64 1.40 2rl5A1 LEU 1156 HD13 -0.28 -0.00 -0.16 -0.04 0.93 0.45 2rl5A1 LEU 1156 HD23 0.16 0.01 -0.06 -0.04 0.89 0.95 2rl5A1 VAL 1157 H 0.13 0.60 -0.12 -0.55 8.24 8.30 2rl5A1 VAL 1157 HA 0.30 0.03 0.40 -0.75 4.13 4.11 2rl5A1 VAL 1157 HB 0.13 0.09 0.17 -0.04 2.12 2.47 2rl5A1 VAL 1157 HG13 0.21 -0.00 -0.11 -0.04 0.97 1.03 2rl5A1 VAL 1157 HG23 0.06 0.07 -0.12 -0.04 0.95 0.91 2rl5A1 GLU 1158 H 0.13 0.47 -0.15 -0.55 8.60 8.50 2rl5A1 GLU 1158 HA 0.10 0.04 0.41 -0.75 4.29 4.09 2rl5A1 GLU 1158 HB2 0.08 0.09 0.15 -0.04 2.09 2.37 2rl5A1 GLU 1158 HB3 0.09 0.06 0.12 -0.04 1.99 2.22 2rl5A1 GLU 1158 HG2 0.06 -0.03 -0.04 -0.04 2.34 2.29 2rl5A1 GLU 1158 HG3 0.06 -0.01 0.04 -0.04 2.34 2.39 2rl5A1 HIS 1159 H 0.18 0.61 -0.10 -0.55 8.41 8.56 2rl5A1 HIS 1159 HA 0.01 0.02 0.41 -0.75 4.63 4.31 2rl5A1 HIS 1159 HB2 0.02 0.06 0.13 -0.04 3.26 3.42 2rl5A1 HIS 1159 HB3 0.04 0.04 0.16 -0.04 3.20 3.40 2rl5A1 HIS 1159 HD2 0.01 0.02 -0.08 -0.04 6.97 6.87 2rl5A1 HIS 1159 HE1 -0.02 -0.01 -0.03 -0.04 7.75 7.65 2rl5A1 LEU 1160 H 0.13 0.81 -0.05 -0.55 8.37 8.71 2rl5A1 LEU 1160 HA -0.15 -0.04 0.48 -0.75 4.35 3.89 2rl5A1 LEU 1160 HB2 0.30 0.16 0.14 -0.04 1.64 2.19 2rl5A1 LEU 1160 HB3 0.18 -0.05 0.02 -0.04 1.64 1.75 2rl5A1 LEU 1160 HG 0.21 0.05 0.08 -0.04 1.64 1.93 2rl5A1 LEU 1160 HD13 0.45 -0.02 -0.19 -0.04 0.93 1.12 2rl5A1 LEU 1160 HD23 0.09 -0.02 -0.03 -0.04 0.89 0.89 2rl5A1 GLY 1161 H -0.09 0.54 -0.33 -0.55 8.43 8.00 2rl5A1 GLY 1161 HA2 -1.09 -0.00 0.43 -0.51 4.01 2.84 2rl5A1 GLY 1161 HA3 -0.39 0.12 0.33 -0.51 4.01 3.56 2rl5A1 ASN 1162 H -0.13 0.42 -0.30 -0.55 8.53 7.97 2rl5A1 ASN 1162 HA -0.08 0.04 0.53 -0.75 4.76 4.49 2rl5A1 ASN 1162 HB2 -0.07 0.18 0.20 -0.04 2.88 3.15 2rl5A1 ASN 1162 HB3 -0.03 -0.07 0.03 -0.04 2.79 2.67 2rl5A1 ASN 1162 HD21 0.04 -0.04 -0.04 -0.04 7.03 6.94 2rl5A1 ASN 1162 HD22 0.07 -0.04 -0.01 -0.04 7.74 7.73 2rl5A1 LEU 1163 H -0.23 0.51 -0.03 -0.55 8.37 8.08 2rl5A1 LEU 1163 HA -0.10 0.01 0.40 -0.75 4.35 3.90 2rl5A1 LEU 1163 HB2 -0.17 0.13 0.14 -0.04 1.64 1.70 2rl5A1 LEU 1163 HB3 -0.11 -0.08 0.04 -0.04 1.64 1.45 2rl5A1 LEU 1163 HG -0.57 0.27 0.07 -0.04 1.64 1.37 2rl5A1 LEU 1163 HD13 -0.27 -0.03 -0.10 -0.04 0.93 0.48 2rl5A1 LEU 1163 HD23 -0.12 -0.03 -0.02 -0.04 0.89 0.68 2rl5A1 LEU 1164 H -0.19 0.49 -0.36 -0.55 8.37 7.76 2rl5A1 LEU 1164 HA -0.05 -0.00 0.44 -0.75 4.35 3.98 2rl5A1 LEU 1164 HB2 -0.20 0.06 0.05 -0.04 1.64 1.51 2rl5A1 LEU 1164 HB3 -0.30 0.15 0.15 -0.04 1.64 1.60 2rl5A1 LEU 1164 HG -0.08 -0.01 -0.16 -0.04 1.64 1.34 2rl5A1 LEU 1164 HD13 -0.03 -0.03 0.02 -0.04 0.93 0.85 2rl5A1 LEU 1164 HD23 -0.11 0.01 -0.02 -0.04 0.89 0.73 2rl5A1 GLN 1165 H -0.12 0.48 -0.11 -0.55 8.47 8.17 2rl5A1 GLN 1165 HA -0.03 0.02 0.43 -0.75 4.36 4.02 2rl5A1 GLN 1165 HB2 -0.07 0.10 0.19 -0.04 2.15 2.32 2rl5A1 GLN 1165 HB3 -0.05 0.09 0.19 -0.04 2.02 2.21 2rl5A1 GLN 1165 HG2 -0.02 -0.02 -0.11 -0.04 2.40 2.21 2rl5A1 GLN 1165 HG3 -0.02 -0.03 0.06 -0.04 2.39 2.35 2rl5A1 GLN 1165 HE21 -0.01 -0.02 -0.00 -0.04 6.97 6.90 2rl5A1 GLN 1165 HE22 -0.02 -0.01 0.01 -0.04 7.69 7.63 2rl5A1 ALA 1166 H -0.04 0.60 -0.19 -0.55 8.40 8.22 2rl5A1 ALA 1166 HA 0.00 0.03 0.44 -0.75 4.34 4.06 2rl5A1 ALA 1166 HB3 -0.01 0.00 0.07 -0.04 1.41 1.43 2rl5A1 ASN 1167 H 0.00 0.50 -0.23 -0.55 8.53 8.26 2rl5A1 ASN 1167 HA 0.10 0.01 0.44 -0.75 4.76 4.57 2rl5A1 ASN 1167 HB2 0.04 0.07 0.14 -0.04 2.88 3.10 2rl5A1 ASN 1167 HB3 0.04 0.13 0.17 -0.04 2.79 3.08 2rl5A1 ASN 1167 HD21 -0.02 -0.12 -0.05 -0.04 7.03 6.80 2rl5A1 ASN 1167 HD22 0.04 0.07 -0.09 -0.04 7.74 7.72 2rl5A1 ALA 1168 H 0.04 0.48 -0.22 -0.55 8.40 8.15 2rl5A1 ALA 1168 HA 0.09 -0.02 0.41 -0.75 4.34 4.06 2rl5A1 ALA 1168 HB3 0.05 0.06 0.10 -0.04 1.41 1.58 2rl5A1 GLN 1169 H 0.04 0.29 -0.51 -0.55 8.47 7.74 2rl5A1 GLN 1169 HA 0.09 0.02 0.33 -0.75 4.36 4.05 2rl5A1 GLN 1169 HB2 0.03 0.03 0.12 -0.04 2.15 2.29 2rl5A1 GLN 1169 HB3 0.02 0.19 0.07 -0.04 2.02 2.26 2rl5A1 GLN 1169 HG2 0.02 -0.05 0.02 -0.04 2.40 2.35 2rl5A1 GLN 1169 HG3 0.01 -0.02 0.02 -0.04 2.39 2.36 2rl5A1 GLN 1169 HE21 0.05 -0.02 0.01 -0.04 6.97 6.97 2rl5A1 GLN 1169 HE22 0.03 -0.02 0.02 -0.04 7.69 7.68 2rl5A1 GLN 1170 H 0.01 0.45 -0.50 -0.55 8.47 7.89 2rl5A1 GLN 1170 HA -0.12 0.07 0.64 -0.75 4.36 4.19 2rl5A1 GLN 1170 HB2 -0.06 0.22 0.15 -0.04 2.15 2.42 2rl5A1 GLN 1170 HB3 -0.41 -0.09 0.07 -0.04 2.02 1.55 2rl5A1 GLN 1170 HG2 0.02 0.14 0.04 -0.04 2.40 2.56 2rl5A1 GLN 1170 HG3 0.06 -0.07 0.04 -0.04 2.39 2.38 2rl5A1 GLN 1170 HE21 -0.02 -0.03 -0.04 -0.04 6.97 6.83 2rl5A1 GLN 1170 HE22 -0.01 0.05 -0.12 -0.04 7.69 7.57 2rl5A1 ASP 1171 H -0.06 0.35 -0.22 -0.55 8.40 7.92 2rl5A1 ASP 1171 HA -0.23 0.08 0.72 -0.75 4.63 4.45 2rl5A1 ASP 1171 HB2 0.13 0.01 0.12 -0.04 2.71 2.93 2rl5A1 ASP 1171 HB3 0.04 0.07 0.29 -0.04 2.70 3.06 2rl5A1 ARG 1172 H -0.21 0.33 -0.18 -0.55 8.46 7.85 2rl5A1 ARG 1172 HA -0.94 0.22 0.74 -0.75 4.34 3.61 2rl5A1 ARG 1172 HB2 -0.17 0.03 0.02 -0.04 1.90 1.75 2rl5A1 ARG 1172 HB3 -0.24 -0.06 0.15 -0.04 1.80 1.60 2rl5A1 ARG 1172 HG2 -0.23 -0.02 -0.10 -0.04 1.67 1.28 2rl5A1 ARG 1172 HG3 -0.12 0.22 -0.24 -0.04 1.67 1.49 2rl5A1 ARG 1172 HD2 0.09 -0.09 0.02 -0.04 3.22 3.20 2rl5A1 ARG 1172 HD3 0.07 0.01 0.03 -0.04 3.22 3.30 2rl5A1 HIS 1173 H -0.08 0.12 -0.26 -0.55 8.41 7.64 2rl5A1 HIS 1173 HA -0.18 0.08 0.35 -0.75 4.63 4.12 2rl5A1 HIS 1173 HB2 -0.18 0.02 0.11 -0.04 3.26 3.17 2rl5A1 HIS 1173 HB3 -0.27 -0.02 0.05 -0.04 3.20 2.92 2rl5A1 HIS 1173 HD2 -1.17 -0.01 -0.13 -0.04 6.97 5.62 2rl5A1 HIS 1173 HE1 -0.10 0.02 0.02 -0.04 7.75 7.65 2rl5A1 HIS 1174 H 0.00 0.10 -0.26 -0.55 8.41 7.71 2rl5A1 HIS 1174 HA -0.08 0.24 0.76 -0.75 4.63 4.79 2rl5A1 HIS 1174 HB2 0.07 0.01 0.06 -0.04 3.26 3.36 2rl5A1 HIS 1174 HB3 0.05 0.01 0.18 -0.04 3.20 3.40 2rl5A1 HIS 1174 HD2 0.10 0.01 -0.03 -0.04 6.97 7.01 2rl5A1 HIS 1174 HE1 0.11 -0.02 -0.03 -0.04 7.75 7.78 2rl5A1 HIS 1175 H -0.00 0.44 -0.49 -0.55 8.41 7.81 2rl5A1 HIS 1175 HA 0.02 0.17 0.56 -0.75 4.63 4.62 2rl5A1 HIS 1175 HB2 -0.02 0.14 0.08 -0.04 3.26 3.42 2rl5A1 HIS 1175 HB3 -0.01 -0.03 0.05 -0.04 3.20 3.18 2rl5A1 HIS 1175 HD2 0.04 -0.01 -0.40 -0.04 6.97 6.56 2rl5A1 HIS 1175 HE1 -0.00 0.03 -0.11 -0.04 7.75 7.62