============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 27 1.000 43.689 14.217 28.824 -99.200 -91.000 PHE 31 1.000 45.408 17.413 18.350 -99.200 -91.000 TYR 37 0.840 45.006 36.629 14.131 -99.200 -91.000 TYR 39 0.840 43.506 30.800 15.691 -99.200 -91.000 PHE 41 1.000 41.973 21.658 21.057 -99.200 -91.000 HIS 50 0.900 54.539 33.769 26.860 -99.200 -91.000 PHE 72 1.000 44.901 23.489 31.247 -99.200 -91.000 PHE 78 1.000 27.994 20.205 24.392 -99.200 -91.000 TRP 83 1.040 27.463 15.751 17.235 -99.200 -91.000 TRP6 83 1.020 27.226 17.174 19.103 -99.200 -91.000 TYR 88 0.840 40.141 23.883 26.282 -99.200 -91.000 TYR 94 0.840 36.843 39.357 21.920 -99.200 -91.000 HIS 97 0.900 36.251 43.933 18.394 -99.200 -91.000 HIS 114 0.900 39.190 6.099 7.049 -99.200 -91.000 PHE 120 1.000 43.069 23.365 16.019 -99.200 -91.000 PHE 134 1.000 30.587 31.337 18.589 -99.200 -91.000 TYR 135 0.840 38.920 33.962 18.988 -99.200 -91.000 PHE 137 1.000 39.631 27.623 17.267 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rl9A1 LYS 4 HA 0.03 -0.12 0.20 -0.75 4.32 3.68 2rl9A1 LYS 4 HB2 0.03 -0.04 0.04 -0.04 1.87 1.86 2rl9A1 LYS 4 HB3 0.01 -0.02 0.09 -0.04 1.79 1.82 2rl9A1 LYS 4 HG2 0.05 0.09 -0.43 -0.04 1.46 1.12 2rl9A1 LYS 4 HG3 0.10 -0.02 -0.08 -0.04 1.46 1.43 2rl9A1 LYS 4 HD2 0.06 -0.02 -0.03 -0.04 1.69 1.66 2rl9A1 LYS 4 HD3 0.05 -0.01 -0.03 -0.04 1.68 1.64 2rl9A1 LYS 4 HE2 0.37 -0.00 -0.13 -0.04 2.99 3.18 2rl9A1 LYS 4 HE3 0.20 0.01 -0.08 -0.04 2.99 3.08 2rl9A1 THR 5 H 0.02 0.07 -0.02 -0.55 8.28 7.81 2rl9A1 THR 5 HA -0.32 0.39 0.73 -0.75 4.39 4.44 2rl9A1 THR 5 HB -0.24 -0.13 0.25 -0.04 4.32 4.16 2rl9A1 THR 5 HG23 0.05 0.03 -0.21 -0.04 1.22 1.06 2rl9A1 CYS 6 H -0.08 0.11 0.14 -0.55 8.50 8.12 2rl9A1 CYS 6 HA 0.21 0.27 0.55 -0.75 4.58 4.86 2rl9A1 CYS 6 HB2 0.06 -0.02 0.10 -0.04 2.97 3.07 2rl9A1 CYS 6 HB3 0.13 -0.00 -0.06 -0.04 2.97 3.00 2rl9A1 ASP 7 H 0.16 0.49 0.35 -0.55 8.40 8.85 2rl9A1 ASP 7 HA 0.08 0.10 0.91 -0.75 4.63 4.96 2rl9A1 ASP 7 HB2 0.08 -0.17 0.31 -0.04 2.71 2.89 2rl9A1 ASP 7 HB3 0.06 0.16 0.05 -0.04 2.70 2.92 2rl9A1 LEU 8 H 0.06 0.13 0.09 -0.55 8.37 8.11 2rl9A1 LEU 8 HA 0.08 0.30 0.84 -0.75 4.35 4.81 2rl9A1 LEU 8 HB2 0.05 -0.02 -0.01 -0.04 1.64 1.62 2rl9A1 LEU 8 HB3 0.06 -0.04 0.08 -0.04 1.64 1.69 2rl9A1 LEU 8 HG 0.07 0.04 -0.20 -0.04 1.64 1.51 2rl9A1 LEU 8 HD13 0.06 -0.01 -0.15 -0.04 0.93 0.78 2rl9A1 LEU 8 HD23 0.09 0.02 -0.26 -0.04 0.89 0.70 2rl9A1 VAL 9 H 0.05 0.14 0.20 -0.55 8.24 8.08 2rl9A1 VAL 9 HA 0.03 0.05 0.40 -0.75 4.13 3.86 2rl9A1 VAL 9 HB 0.04 0.05 0.17 -0.04 2.12 2.33 2rl9A1 VAL 9 HG13 0.03 -0.02 0.07 -0.04 0.97 1.01 2rl9A1 VAL 9 HG23 0.02 0.00 -0.00 -0.04 0.95 0.93 2rl9A1 GLY 10 H 0.02 0.08 0.19 -0.55 8.43 8.19 2rl9A1 GLY 10 HA2 0.02 -0.03 0.32 -0.51 4.01 3.81 2rl9A1 GLY 10 HA3 0.02 0.21 0.80 -0.51 4.01 4.52 2rl9A1 GLU 11 H 0.02 0.11 0.09 -0.55 8.60 8.27 2rl9A1 GLU 11 HA 0.02 0.11 0.60 -0.75 4.29 4.26 2rl9A1 GLU 11 HB2 0.01 0.01 0.06 -0.04 2.09 2.13 2rl9A1 GLU 11 HB3 0.01 0.06 0.08 -0.04 1.99 2.10 2rl9A1 GLU 11 HG2 0.01 -0.07 0.06 -0.04 2.34 2.30 2rl9A1 GLU 11 HG3 0.01 0.03 0.04 -0.04 2.34 2.38 2rl9A1 LYS 12 H 0.02 0.12 0.17 -0.55 8.42 8.18 2rl9A1 LYS 12 HA 0.03 0.03 0.39 -0.75 4.32 4.02 2rl9A1 LYS 12 HB2 0.02 -0.01 0.17 -0.04 1.87 2.00 2rl9A1 LYS 12 HB3 0.02 0.04 -0.01 -0.04 1.79 1.80 2rl9A1 LYS 12 HG2 0.02 0.03 0.06 -0.04 1.46 1.53 2rl9A1 LYS 12 HG3 0.03 0.01 0.08 -0.04 1.46 1.54 2rl9A1 LYS 12 HD2 0.03 0.00 0.06 -0.04 1.69 1.74 2rl9A1 LYS 12 HD3 0.02 -0.02 0.10 -0.04 1.68 1.75 2rl9A1 LYS 12 HE2 0.03 0.04 0.04 -0.04 2.99 3.06 2rl9A1 LYS 12 HE3 0.03 0.01 0.03 -0.04 2.99 3.02 2rl9A1 GLY 13 H 0.02 0.13 0.18 -0.55 8.43 8.22 2rl9A1 GLY 13 HA2 0.02 0.01 0.38 -0.51 4.01 3.91 2rl9A1 GLY 13 HA3 0.01 0.12 0.49 -0.51 4.01 4.13 2rl9A1 LYS 14 H 0.02 0.59 -0.50 -0.55 8.42 7.97 2rl9A1 LYS 14 HA 0.01 0.18 0.87 -0.75 4.32 4.63 2rl9A1 LYS 14 HB2 0.01 0.10 -0.01 -0.04 1.87 1.94 2rl9A1 LYS 14 HB3 0.01 -0.10 0.15 -0.04 1.79 1.81 2rl9A1 LYS 14 HG2 0.01 -0.07 0.02 -0.04 1.46 1.38 2rl9A1 LYS 14 HG3 0.01 0.03 0.01 -0.04 1.46 1.47 2rl9A1 LYS 14 HD2 0.01 0.04 -0.29 -0.04 1.69 1.41 2rl9A1 LYS 14 HD3 0.01 0.01 -0.13 -0.04 1.68 1.53 2rl9A1 LYS 14 HE2 0.01 -0.05 -0.02 -0.04 2.99 2.89 2rl9A1 LYS 14 HE3 0.01 -0.00 -0.03 -0.04 2.99 2.92 2rl9A1 GLU 15 H 0.02 -0.05 -0.14 -0.55 8.60 7.89 2rl9A1 GLU 15 HA 0.02 0.19 0.53 -0.75 4.29 4.28 2rl9A1 GLU 15 HB2 0.03 -0.04 -0.05 -0.04 2.09 1.99 2rl9A1 GLU 15 HB3 0.04 -0.05 0.03 -0.04 1.99 1.96 2rl9A1 GLU 15 HG2 0.04 0.15 -0.24 -0.04 2.34 2.25 2rl9A1 GLU 15 HG3 0.03 0.07 -0.32 -0.04 2.34 2.07 2rl9A1 SER 16 H 0.03 0.16 0.16 -0.55 8.46 8.27 2rl9A1 SER 16 HA 0.02 0.10 0.43 -0.75 4.49 4.28 2rl9A1 SER 16 HB2 0.02 0.14 0.19 -0.04 3.95 4.25 2rl9A1 SER 16 HB3 0.03 -0.00 0.19 -0.04 3.93 4.11 2rl9A1 GLU 17 H 0.01 0.19 0.23 -0.55 8.60 8.49 2rl9A1 GLU 17 HA 0.02 0.14 0.54 -0.75 4.29 4.24 2rl9A1 GLU 17 HB2 0.01 0.10 0.14 -0.04 2.09 2.30 2rl9A1 GLU 17 HB3 0.01 -0.01 0.10 -0.04 1.99 2.05 2rl9A1 GLU 17 HG2 0.00 0.05 0.04 -0.04 2.34 2.38 2rl9A1 GLU 17 HG3 0.00 -0.01 -0.02 -0.04 2.34 2.28 2rl9A1 LYS 18 H 0.01 0.06 -0.08 -0.55 8.42 7.86 2rl9A1 LYS 18 HA 0.01 0.15 0.49 -0.75 4.32 4.21 2rl9A1 LYS 18 HB2 0.02 -0.04 0.10 -0.04 1.87 1.91 2rl9A1 LYS 18 HB3 0.02 0.07 0.05 -0.04 1.79 1.89 2rl9A1 LYS 18 HG2 0.00 0.06 0.05 -0.04 1.46 1.53 2rl9A1 LYS 18 HG3 0.00 -0.06 0.06 -0.04 1.46 1.42 2rl9A1 LYS 18 HD2 0.00 -0.01 0.05 -0.04 1.69 1.69 2rl9A1 LYS 18 HD3 0.00 0.04 0.05 -0.04 1.68 1.73 2rl9A1 LYS 18 HE2 -0.00 0.02 0.03 -0.04 2.99 3.00 2rl9A1 LYS 18 HE3 -0.01 0.02 0.02 -0.04 2.99 2.99 2rl9A1 GLU 19 H 0.03 0.06 -0.34 -0.55 8.60 7.81 2rl9A1 GLU 19 HA 0.05 0.19 0.58 -0.75 4.29 4.36 2rl9A1 GLU 19 HB2 0.05 0.05 0.08 -0.04 2.09 2.23 2rl9A1 GLU 19 HB3 0.07 0.00 -0.01 -0.04 1.99 2.01 2rl9A1 GLU 19 HG2 0.10 0.50 0.19 -0.04 2.34 3.10 2rl9A1 GLU 19 HG3 0.06 -0.13 0.06 -0.04 2.34 2.30 2rl9A1 LEU 20 H 0.03 0.41 -0.11 -0.55 8.37 8.16 2rl9A1 LEU 20 HA 0.05 0.05 0.35 -0.75 4.35 4.05 2rl9A1 LEU 20 HB2 0.02 0.03 0.11 -0.04 1.64 1.76 2rl9A1 LEU 20 HB3 0.03 0.01 -0.01 -0.04 1.64 1.63 2rl9A1 LEU 20 HG 0.03 0.11 -0.03 -0.04 1.64 1.71 2rl9A1 LEU 20 HD13 0.02 -0.02 -0.11 -0.04 0.93 0.78 2rl9A1 LEU 20 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 2rl9A1 ALA 21 H 0.02 0.41 -0.29 -0.55 8.40 7.98 2rl9A1 ALA 21 HA 0.00 0.02 0.35 -0.75 4.34 3.96 2rl9A1 ALA 21 HB3 -0.00 0.05 0.08 -0.04 1.41 1.50 2rl9A1 LEU 22 H 0.02 0.30 -0.34 -0.55 8.37 7.80 2rl9A1 LEU 22 HA -0.00 0.04 0.36 -0.75 4.35 3.99 2rl9A1 LEU 22 HB2 0.03 0.11 0.12 -0.04 1.64 1.86 2rl9A1 LEU 22 HB3 0.02 -0.05 -0.15 -0.04 1.64 1.42 2rl9A1 LEU 22 HG -0.01 0.09 0.03 -0.04 1.64 1.71 2rl9A1 LEU 22 HD13 0.00 -0.01 -0.25 -0.04 0.93 0.63 2rl9A1 LEU 22 HD23 -0.05 -0.00 -0.08 -0.04 0.89 0.72 2rl9A1 LEU 23 H 0.05 0.53 -0.20 -0.55 8.37 8.20 2rl9A1 LEU 23 HA 0.14 -0.00 0.39 -0.75 4.35 4.12 2rl9A1 LEU 23 HB2 0.09 0.13 0.13 -0.04 1.64 1.95 2rl9A1 LEU 23 HB3 0.18 -0.03 -0.03 -0.04 1.64 1.72 2rl9A1 LEU 23 HG 0.09 0.05 -0.06 -0.04 1.64 1.68 2rl9A1 LEU 23 HD13 0.09 -0.02 -0.11 -0.04 0.93 0.85 2rl9A1 LEU 23 HD23 0.14 -0.02 -0.05 -0.04 0.89 0.91 2rl9A1 LYS 24 H 0.02 0.48 -0.29 -0.55 8.42 8.07 2rl9A1 LYS 24 HA -0.07 0.03 0.47 -0.75 4.32 3.99 2rl9A1 LYS 24 HB2 -0.02 0.25 0.17 -0.04 1.87 2.23 2rl9A1 LYS 24 HB3 -0.04 -0.06 0.02 -0.04 1.79 1.66 2rl9A1 LYS 24 HG2 -0.02 -0.05 0.01 -0.04 1.46 1.36 2rl9A1 LYS 24 HG3 0.00 0.21 0.02 -0.04 1.46 1.65 2rl9A1 LYS 24 HD2 -0.01 -0.05 -0.04 -0.04 1.69 1.55 2rl9A1 LYS 24 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 2rl9A1 LYS 24 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.93 2rl9A1 LYS 24 HE3 -0.03 -0.01 -0.00 -0.04 2.99 2.91 2rl9A1 ARG 25 H -0.01 0.36 -0.15 -0.55 8.46 8.10 2rl9A1 ARG 25 HA -0.04 0.04 0.45 -0.75 4.34 4.03 2rl9A1 ARG 25 HB2 -0.02 -0.01 0.10 -0.04 1.90 1.93 2rl9A1 ARG 25 HB3 -0.01 0.10 0.05 -0.04 1.80 1.90 2rl9A1 ARG 25 HG2 -0.02 -0.05 0.11 -0.04 1.67 1.67 2rl9A1 ARG 25 HG3 -0.02 -0.05 0.08 -0.04 1.67 1.63 2rl9A1 ARG 25 HD2 -0.02 0.03 -0.01 -0.04 3.22 3.18 2rl9A1 ARG 25 HD3 -0.03 0.06 0.08 -0.04 3.22 3.29 2rl9A1 LEU 26 H 0.01 0.28 -0.53 -0.55 8.37 7.58 2rl9A1 LEU 26 HA 0.03 0.15 0.74 -0.75 4.35 4.50 2rl9A1 LEU 26 HB2 0.21 0.08 0.00 -0.04 1.64 1.89 2rl9A1 LEU 26 HB3 0.17 -0.10 0.06 -0.04 1.64 1.73 2rl9A1 LEU 26 HG 0.05 0.32 -0.06 -0.04 1.64 1.92 2rl9A1 LEU 26 HD13 0.07 -0.04 -0.13 -0.04 0.93 0.79 2rl9A1 LEU 26 HD23 0.03 0.00 -0.28 -0.04 0.89 0.60 2rl9A1 THR 27 H -0.23 0.37 -0.38 -0.55 8.28 7.49 2rl9A1 THR 27 HA -1.95 0.02 0.36 -0.75 4.39 2.07 2rl9A1 THR 27 HB -0.29 0.03 0.08 -0.04 4.32 4.10 2rl9A1 THR 27 HG23 -0.53 -0.03 -0.01 -0.04 1.22 0.61 2rl9A1 PRO 28 HA -0.07 0.04 0.39 -0.51 4.44 4.29 2rl9A1 PRO 28 HB2 -0.01 -0.00 0.01 -0.04 2.28 2.24 2rl9A1 PRO 28 HB3 -0.04 -0.00 0.09 -0.04 2.02 2.02 2rl9A1 PRO 28 HG2 -0.01 0.05 -0.09 -0.04 2.03 1.93 2rl9A1 PRO 28 HG3 -0.03 0.04 0.02 -0.04 2.03 2.02 2rl9A1 PRO 28 HD2 -0.12 0.10 -0.41 -0.04 3.68 3.21 2rl9A1 PRO 28 HD3 -0.12 0.10 0.04 -0.04 3.65 3.63 2rl9A1 LEU 29 H 0.06 0.57 -0.61 -0.55 8.37 7.84 2rl9A1 LEU 29 HA 0.13 0.09 0.72 -0.75 4.35 4.54 2rl9A1 LEU 29 HB2 0.20 0.22 0.06 -0.04 1.64 2.08 2rl9A1 LEU 29 HB3 0.26 -0.10 0.03 -0.04 1.64 1.79 2rl9A1 LEU 29 HG 0.09 -0.02 -0.11 -0.04 1.64 1.57 2rl9A1 LEU 29 HD13 0.07 -0.01 -0.03 -0.04 0.93 0.92 2rl9A1 LEU 29 HD23 0.23 0.05 -0.11 -0.04 0.89 1.02 2rl9A1 PHE 30 H 0.29 0.57 0.02 -0.55 8.34 8.67 2rl9A1 PHE 30 HA -0.09 0.11 0.44 -0.75 4.62 4.32 2rl9A1 PHE 30 HB2 -0.05 0.10 0.22 -0.04 3.15 3.38 2rl9A1 PHE 30 HB3 -0.09 -0.02 -0.01 -0.04 3.06 2.90 2rl9A1 PHE 30 HD2 -0.05 -0.04 0.01 -0.04 7.28 7.15 2rl9A1 PHE 30 HE2 -0.03 -0.06 -0.15 -0.04 7.38 7.10 2rl9A1 PHE 30 HZ -0.02 -0.05 -0.05 -0.04 7.32 7.16 2rl9A1 GLN 31 H 0.07 0.12 -0.19 -0.55 8.47 7.93 2rl9A1 GLN 31 HA -0.03 0.14 0.53 -0.75 4.36 4.24 2rl9A1 GLN 31 HB2 -0.03 -0.03 0.12 -0.04 2.15 2.17 2rl9A1 GLN 31 HB3 -0.00 -0.02 0.06 -0.04 2.02 2.01 2rl9A1 GLN 31 HG2 0.00 0.01 -0.03 -0.04 2.40 2.34 2rl9A1 GLN 31 HG3 -0.03 0.02 -0.16 -0.04 2.39 2.18 2rl9A1 GLN 31 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.86 2rl9A1 GLN 31 HE22 -0.02 0.00 -0.04 -0.04 7.69 7.59 2rl9A1 LYS 32 H -0.07 0.34 -0.57 -0.55 8.42 7.56 2rl9A1 LYS 32 HA -0.20 0.11 0.73 -0.75 4.32 4.21 2rl9A1 LYS 32 HB2 -0.33 0.10 0.03 -0.04 1.87 1.64 2rl9A1 LYS 32 HB3 -0.50 -0.11 0.11 -0.04 1.79 1.25 2rl9A1 LYS 32 HG2 -0.09 -0.02 -0.05 -0.04 1.46 1.26 2rl9A1 LYS 32 HG3 -0.04 0.01 -0.06 -0.04 1.46 1.34 2rl9A1 LYS 32 HD2 0.05 0.05 0.01 -0.04 1.69 1.76 2rl9A1 LYS 32 HD3 0.15 -0.02 0.00 -0.04 1.68 1.78 2rl9A1 LYS 32 HE2 0.14 -0.05 -0.02 -0.04 2.99 3.02 2rl9A1 LYS 32 HE3 -0.07 0.01 0.01 -0.04 2.99 2.89 2rl9A1 SER 33 H -0.54 0.19 0.15 -0.55 8.46 7.72 2rl9A1 SER 33 HA -0.41 0.23 0.79 -0.75 4.49 4.34 2rl9A1 SER 33 HB2 -0.19 0.10 -0.22 -0.04 3.95 3.59 2rl9A1 SER 33 HB3 -0.19 -0.08 0.04 -0.04 3.93 3.66 2rl9A1 PHE 34 H -0.22 0.70 0.32 -0.55 8.34 8.59 2rl9A1 PHE 34 HA -0.03 0.17 1.05 -0.75 4.62 5.05 2rl9A1 PHE 34 HB2 -0.44 -0.05 0.04 -0.04 3.15 2.66 2rl9A1 PHE 34 HB3 -0.10 -0.05 0.00 -0.04 3.06 2.87 2rl9A1 PHE 34 HD2 -0.16 0.02 -0.14 -0.04 7.28 6.96 2rl9A1 PHE 34 HE2 -0.08 0.05 -0.15 -0.04 7.38 7.17 2rl9A1 PHE 34 HZ -0.01 0.04 -0.08 -0.04 7.32 7.24 2rl9A1 GLU 35 H 0.22 0.22 0.23 -0.55 8.60 8.71 2rl9A1 GLU 35 HA 0.24 0.30 1.13 -0.75 4.29 5.21 2rl9A1 GLU 35 HB2 0.08 -0.03 -0.15 -0.04 2.09 1.95 2rl9A1 GLU 35 HB3 0.14 -0.01 0.03 -0.04 1.99 2.11 2rl9A1 GLU 35 HG2 0.16 0.08 0.03 -0.04 2.34 2.57 2rl9A1 GLU 35 HG3 0.15 0.09 0.08 -0.04 2.34 2.62 2rl9A1 SER 36 H 0.46 0.41 0.33 -0.55 8.46 9.11 2rl9A1 SER 36 HA 0.29 0.25 0.57 -0.75 4.49 4.85 2rl9A1 SER 36 HB2 0.20 0.04 0.14 -0.04 3.95 4.29 2rl9A1 SER 36 HB3 0.40 -0.02 0.15 -0.04 3.93 4.42 2rl9A1 THR 37 H 0.12 0.22 0.21 -0.55 8.28 8.28 2rl9A1 THR 37 HA 0.11 0.22 0.61 -0.75 4.39 4.58 2rl9A1 THR 37 HB 0.07 0.01 0.12 -0.04 4.32 4.48 2rl9A1 THR 37 HG23 0.10 0.02 0.05 -0.04 1.22 1.36 2rl9A1 ASP 43 HA 0.02 -0.02 0.19 -0.75 4.63 4.07 2rl9A1 ASP 43 HB2 0.04 0.06 0.59 -0.04 2.71 3.36 2rl9A1 ASP 43 HB3 0.05 -0.61 0.35 -0.04 2.70 2.45 2rl9A1 MET 44 H -0.01 0.10 0.18 -0.55 8.47 8.19 2rl9A1 MET 44 HA -0.14 0.03 0.42 -0.75 4.52 4.07 2rl9A1 MET 44 HB2 -0.20 0.45 0.21 -0.04 2.15 2.57 2rl9A1 MET 44 HB3 -0.55 -0.08 -0.15 -0.04 2.03 1.21 2rl9A1 MET 44 HG2 -0.59 -0.11 -0.01 -0.04 2.63 1.88 2rl9A1 MET 44 HG3 -0.24 0.01 0.12 -0.04 2.56 2.42 2rl9A1 MET 44 HE3 -0.09 0.02 0.02 -0.04 2.10 2.02 2rl9A1 TYR 45 H 0.04 0.12 0.20 -0.55 8.29 8.10 2rl9A1 TYR 45 HA -0.04 0.30 1.25 -0.75 4.56 5.32 2rl9A1 TYR 45 HB2 -0.03 -0.03 -0.06 -0.04 3.06 2.89 2rl9A1 TYR 45 HB3 -0.34 0.02 0.03 -0.04 2.98 2.64 2rl9A1 TYR 45 HD2 0.04 0.05 -0.14 -0.04 7.15 7.05 2rl9A1 TYR 45 HE2 0.05 0.01 -0.09 -0.04 6.85 6.77 2rl9A1 SER 46 H 0.02 0.49 0.37 -0.55 8.46 8.79 2rl9A1 SER 46 HA 0.17 0.18 0.91 -0.75 4.49 4.99 2rl9A1 SER 46 HB2 0.08 0.05 -0.02 -0.04 3.95 4.01 2rl9A1 SER 46 HB3 0.05 -0.06 0.12 -0.04 3.93 4.00 2rl9A1 TYR 47 H 0.42 0.17 0.24 -0.55 8.29 8.57 2rl9A1 TYR 47 HA 0.16 0.41 1.26 -0.75 4.56 5.63 2rl9A1 TYR 47 HB2 0.42 -0.07 0.09 -0.04 3.06 3.46 2rl9A1 TYR 47 HB3 0.33 0.04 -0.06 -0.04 2.98 3.26 2rl9A1 TYR 47 HD2 0.21 0.02 -0.15 -0.04 7.15 7.19 2rl9A1 TYR 47 HE2 0.12 0.01 -0.12 -0.04 6.85 6.82 2rl9A1 VAL 48 H 0.18 0.48 0.33 -0.55 8.24 8.68 2rl9A1 VAL 48 HA 0.11 0.33 1.10 -0.75 4.13 4.92 2rl9A1 VAL 48 HB 0.04 -0.09 0.10 -0.04 2.12 2.14 2rl9A1 VAL 48 HG13 -0.01 0.04 -0.06 -0.04 0.97 0.90 2rl9A1 VAL 48 HG23 0.06 -0.00 -0.19 -0.04 0.95 0.79 2rl9A1 PHE 49 H -0.07 0.80 0.35 -0.55 8.34 8.87 2rl9A1 PHE 49 HA -0.08 0.19 1.10 -0.75 4.62 5.07 2rl9A1 PHE 49 HB2 -0.51 -0.08 -0.16 -0.04 3.15 2.37 2rl9A1 PHE 49 HB3 -1.04 -0.02 -0.01 -0.04 3.06 1.95 2rl9A1 PHE 49 HD2 -0.21 0.01 -0.10 -0.04 7.28 6.95 2rl9A1 PHE 49 HE2 -0.03 -0.01 -0.20 -0.04 7.38 7.10 2rl9A1 PHE 49 HZ -0.09 -0.02 -0.20 -0.04 7.32 6.97 2rl9A1 ARG 50 H -0.21 0.64 0.33 -0.55 8.46 8.67 2rl9A1 ARG 50 HA -0.42 0.12 0.65 -0.75 4.34 3.94 2rl9A1 ARG 50 HB2 -0.15 0.07 -0.11 -0.04 1.90 1.66 2rl9A1 ARG 50 HB3 -0.24 0.07 -0.10 -0.04 1.80 1.50 2rl9A1 ARG 50 HG2 -0.23 0.09 0.18 -0.04 1.67 1.67 2rl9A1 ARG 50 HG3 -0.13 -0.18 -0.42 -0.04 1.67 0.90 2rl9A1 ARG 50 HD2 -0.12 -0.10 -0.07 -0.04 3.22 2.89 2rl9A1 ARG 50 HD3 -0.12 0.11 -0.42 -0.04 3.22 2.75 2rl9A1 VAL 51 H -0.29 0.34 0.04 -0.55 8.24 7.79 2rl9A1 VAL 51 HA -0.11 0.02 0.67 -0.75 4.13 3.96 2rl9A1 VAL 51 HB -0.06 0.08 -0.05 -0.04 2.12 2.05 2rl9A1 VAL 51 HG13 -0.00 -0.00 -0.15 -0.04 0.97 0.77 2rl9A1 VAL 51 HG23 -0.06 0.00 -0.12 -0.04 0.95 0.73 2rl9A1 CYS 52 H -0.01 0.13 0.14 -0.55 8.50 8.22 2rl9A1 CYS 52 HA -0.48 -0.05 0.21 -0.75 4.58 3.51 2rl9A1 CYS 52 HB2 -1.26 0.26 0.03 -0.04 2.97 1.96 2rl9A1 CYS 52 HB3 -0.52 -0.21 0.23 -0.04 2.97 2.42 2rl9A1 ARG 53 H -0.49 0.18 -0.50 -0.55 8.46 7.09 2rl9A1 ARG 53 HA -0.68 0.14 0.69 -0.75 4.34 3.74 2rl9A1 ARG 53 HB2 -0.28 0.01 -0.16 -0.04 1.90 1.42 2rl9A1 ARG 53 HB3 -0.21 -0.01 -0.04 -0.04 1.80 1.50 2rl9A1 ARG 53 HG2 -0.46 0.05 -0.45 -0.04 1.67 0.78 2rl9A1 ARG 53 HG3 -0.19 0.17 -0.08 -0.04 1.67 1.54 2rl9A1 ARG 53 HD2 -0.16 -0.10 0.04 -0.04 3.22 2.95 2rl9A1 ARG 53 HD3 -0.34 0.11 0.20 -0.04 3.22 3.14 2rl9A1 GLU 54 H -0.08 0.14 0.05 -0.55 8.60 8.17 2rl9A1 GLU 54 HA 0.25 0.08 0.41 -0.75 4.29 4.28 2rl9A1 GLU 54 HB2 0.13 -0.01 0.07 -0.04 2.09 2.24 2rl9A1 GLU 54 HB3 0.01 0.10 0.12 -0.04 1.99 2.18 2rl9A1 GLU 54 HG2 0.01 0.02 -0.03 -0.04 2.34 2.30 2rl9A1 GLU 54 HG3 0.00 0.22 -0.25 -0.04 2.34 2.27 2rl9A1 ALA 55 H 0.03 0.20 0.17 -0.55 8.40 8.26 2rl9A1 ALA 55 HA -0.04 0.25 0.64 -0.75 4.34 4.43 2rl9A1 ALA 55 HB3 -0.01 -0.02 -0.28 -0.04 1.41 1.07 2rl9A1 GLY 56 H -0.00 -0.11 -0.01 -0.55 8.43 7.76 2rl9A1 GLY 56 HA2 -0.00 0.27 0.68 -0.51 4.01 4.45 2rl9A1 GLY 56 HA3 0.01 -0.12 0.25 -0.51 4.01 3.64 2rl9A1 GLN 57 H -0.07 0.16 0.06 -0.55 8.47 8.08 2rl9A1 GLN 57 HA -0.13 0.27 0.84 -0.75 4.36 4.59 2rl9A1 GLN 57 HB2 -0.39 0.01 0.07 -0.04 2.15 1.80 2rl9A1 GLN 57 HB3 -0.23 0.05 0.16 -0.04 2.02 1.96 2rl9A1 GLN 57 HG2 -0.08 -0.07 -0.14 -0.04 2.40 2.07 2rl9A1 GLN 57 HG3 -0.09 0.04 -0.05 -0.04 2.39 2.25 2rl9A1 GLN 57 HE21 -0.05 0.06 -0.18 -0.04 6.97 6.75 2rl9A1 GLN 57 HE22 -0.04 0.01 -0.20 -0.04 7.69 7.42 2rl9A1 HIS 58 H -0.01 -0.07 -0.19 -0.55 8.41 7.59 2rl9A1 HIS 58 HA -0.01 0.33 0.84 -0.75 4.63 5.03 2rl9A1 HIS 58 HB2 -0.02 -0.11 0.03 -0.04 3.26 3.12 2rl9A1 HIS 58 HB3 -0.02 0.09 0.16 -0.04 3.20 3.39 2rl9A1 HIS 58 HD2 -0.01 0.03 0.04 -0.04 6.97 6.99 2rl9A1 HIS 58 HE1 -0.01 0.07 -0.01 -0.04 7.75 7.76 2rl9A1 SER 59 H -0.01 0.16 -0.13 -0.55 8.46 7.93 2rl9A1 SER 59 HA 0.00 0.01 0.26 -0.75 4.49 4.01 2rl9A1 SER 59 HB2 0.01 0.17 -0.19 -0.04 3.95 3.90 2rl9A1 SER 59 HB3 0.00 0.03 0.16 -0.04 3.93 4.08 2rl9A1 SER 60 H 0.01 -0.13 -0.44 -0.55 8.46 7.36 2rl9A1 SER 60 HA -0.04 0.26 0.48 -0.75 4.49 4.44 2rl9A1 SER 60 HB2 -0.03 -0.19 -0.07 -0.04 3.95 3.62 2rl9A1 SER 60 HB3 -0.05 0.08 0.01 -0.04 3.93 3.93 2rl9A1 GLY 61 H -0.06 -0.07 -0.28 -0.55 8.43 7.48 2rl9A1 GLY 61 HA2 -0.19 0.06 0.16 -0.51 4.01 3.53 2rl9A1 GLY 61 HA3 -0.34 0.21 0.53 -0.51 4.01 3.90 2rl9A1 ALA 62 H -0.09 -0.14 -0.07 -0.55 8.40 7.55 2rl9A1 ALA 62 HA -0.20 0.18 0.44 -0.75 4.34 4.00 2rl9A1 ALA 62 HB3 -0.05 -0.03 -0.08 -0.04 1.41 1.21 2rl9A1 GLY 63 H -0.23 0.75 0.54 -0.55 8.43 8.94 2rl9A1 GLY 63 HA2 -0.02 0.31 0.82 -0.51 4.01 4.61 2rl9A1 GLY 63 HA3 -0.89 -0.02 0.28 -0.51 4.01 2.87 2rl9A1 LEU 64 H -0.01 0.28 0.25 -0.55 8.37 8.34 2rl9A1 LEU 64 HA 0.15 0.42 0.87 -0.75 4.35 5.04 2rl9A1 LEU 64 HB2 0.35 0.05 -0.19 -0.04 1.64 1.81 2rl9A1 LEU 64 HB3 0.09 -0.12 0.02 -0.04 1.64 1.59 2rl9A1 LEU 64 HG 0.07 0.15 -0.14 -0.04 1.64 1.68 2rl9A1 LEU 64 HD13 -0.84 -0.01 -0.18 -0.04 0.93 -0.14 2rl9A1 LEU 64 HD23 0.02 -0.02 -0.33 -0.04 0.89 0.52 2rl9A1 VAL 65 H 0.08 0.63 0.29 -0.55 8.24 8.69 2rl9A1 VAL 65 HA -0.02 0.07 1.24 -0.75 4.13 4.67 2rl9A1 VAL 65 HB -0.01 0.04 -0.11 -0.04 2.12 2.01 2rl9A1 VAL 65 HG13 -0.00 -0.05 -0.29 -0.04 0.97 0.59 2rl9A1 VAL 65 HG23 0.03 0.03 -0.11 -0.04 0.95 0.85 2rl9A1 GLN 66 H -0.09 0.81 0.37 -0.55 8.47 9.01 2rl9A1 GLN 66 HA -0.40 0.25 1.04 -0.75 4.36 4.49 2rl9A1 GLN 66 HB2 -0.32 -0.02 -0.02 -0.04 2.15 1.74 2rl9A1 GLN 66 HB3 -0.23 -0.01 0.16 -0.04 2.02 1.90 2rl9A1 GLN 66 HG2 -0.28 0.03 -0.46 -0.04 2.40 1.65 2rl9A1 GLN 66 HG3 -0.94 -0.01 -0.09 -0.04 2.39 1.30 2rl9A1 GLN 66 HE21 -0.21 0.01 -0.09 -0.04 6.97 6.63 2rl9A1 GLN 66 HE22 -0.17 -0.04 -0.10 -0.04 7.69 7.35 2rl9A1 ILE 67 H -0.13 0.87 0.40 -0.55 8.25 8.84 2rl9A1 ILE 67 HA 0.01 0.35 1.03 -0.75 4.18 4.81 2rl9A1 ILE 67 HB 0.02 -0.03 0.10 -0.04 1.89 1.94 2rl9A1 ILE 67 HG12 0.02 -0.00 -0.19 -0.04 1.49 1.28 2rl9A1 ILE 67 HG13 -0.00 -0.06 -0.25 -0.04 1.21 0.86 2rl9A1 ILE 67 HG23 0.03 0.00 -0.37 -0.04 0.93 0.55 2rl9A1 ILE 67 HD13 0.03 0.01 -0.11 -0.04 0.88 0.76 2rl9A1 GLN 68 H 0.05 0.69 0.19 -0.55 8.47 8.85 2rl9A1 GLN 68 HA 0.11 0.15 0.67 -0.75 4.36 4.53 2rl9A1 GLN 68 HB2 0.09 0.13 0.13 -0.04 2.15 2.46 2rl9A1 GLN 68 HB3 0.04 -0.31 0.25 -0.04 2.02 1.97 2rl9A1 GLN 68 HG2 0.04 0.02 0.02 -0.04 2.40 2.44 2rl9A1 GLN 68 HG3 0.01 -0.11 -0.01 -0.04 2.39 2.24 2rl9A1 GLN 68 HE21 0.18 0.02 -0.04 -0.04 6.97 7.09 2rl9A1 GLN 68 HE22 0.09 -0.01 -0.02 -0.04 7.69 7.71 2rl9A1 LYS 69 H -0.00 0.50 0.30 -0.55 8.42 8.66 2rl9A1 LYS 69 HA 0.01 0.04 0.28 -0.75 4.32 3.90 2rl9A1 LYS 69 HB2 -0.03 0.07 0.16 -0.04 1.87 2.02 2rl9A1 LYS 69 HB3 -0.00 0.02 -0.05 -0.04 1.79 1.72 2rl9A1 LYS 69 HG2 0.02 -0.01 -0.06 -0.04 1.46 1.37 2rl9A1 LYS 69 HG3 0.02 -0.01 -0.11 -0.04 1.46 1.32 2rl9A1 LYS 69 HD2 -0.02 -0.08 -0.23 -0.04 1.69 1.33 2rl9A1 LYS 69 HD3 -0.00 0.01 -0.08 -0.04 1.68 1.57 2rl9A1 LYS 69 HE2 0.04 -0.00 -0.09 -0.04 2.99 2.89 2rl9A1 LYS 69 HE3 0.05 0.06 -0.19 -0.04 2.99 2.87 2rl9A1 SER 70 H -0.03 0.10 -0.13 -0.55 8.46 7.86 2rl9A1 SER 70 HA -0.01 0.13 0.41 -0.75 4.49 4.27 2rl9A1 SER 70 HB2 -0.01 0.04 0.06 -0.04 3.95 3.99 2rl9A1 SER 70 HB3 -0.03 0.02 0.10 -0.04 3.93 3.98 2rl9A1 ASN 71 H 0.01 0.07 -0.18 -0.55 8.53 7.88 2rl9A1 ASN 71 HA 0.01 0.28 0.94 -0.75 4.76 5.24 2rl9A1 ASN 71 HB2 0.01 0.03 0.14 -0.04 2.88 3.02 2rl9A1 ASN 71 HB3 0.01 0.03 -0.08 -0.04 2.79 2.70 2rl9A1 ASN 71 HD21 0.03 -0.01 -0.01 -0.04 7.03 7.00 2rl9A1 ASN 71 HD22 0.01 0.05 -0.02 -0.04 7.74 7.74 2rl9A1 GLY 72 H 0.02 0.46 -0.02 -0.55 8.43 8.34 2rl9A1 GLY 72 HA2 0.03 0.03 0.24 -0.51 4.01 3.79 2rl9A1 GLY 72 HA3 0.03 0.06 0.34 -0.51 4.01 3.94 2rl9A1 LYS 73 H 0.03 -0.00 -0.30 -0.55 8.42 7.58 2rl9A1 LYS 73 HA 0.01 0.12 0.48 -0.75 4.32 4.17 2rl9A1 LYS 73 HB2 0.01 0.07 0.03 -0.04 1.87 1.94 2rl9A1 LYS 73 HB3 0.03 -0.10 0.09 -0.04 1.79 1.76 2rl9A1 LYS 73 HG2 -0.00 -0.00 -0.55 -0.04 1.46 0.86 2rl9A1 LYS 73 HG3 -0.02 0.04 -0.03 -0.04 1.46 1.40 2rl9A1 LYS 73 HD2 0.01 0.02 -0.05 -0.04 1.69 1.64 2rl9A1 LYS 73 HD3 0.03 -0.05 -0.10 -0.04 1.68 1.52 2rl9A1 LYS 73 HE2 -0.00 -0.03 -0.16 -0.04 2.99 2.76 2rl9A1 LYS 73 HE3 -0.01 0.04 -0.06 -0.04 2.99 2.91 2rl9A1 GLU 74 H -0.01 0.18 0.19 -0.55 8.60 8.41 2rl9A1 GLU 74 HA 0.01 0.20 0.86 -0.75 4.29 4.61 2rl9A1 GLU 74 HB2 0.13 0.10 0.08 -0.04 2.09 2.36 2rl9A1 GLU 74 HB3 0.06 -0.05 0.08 -0.04 1.99 2.05 2rl9A1 GLU 74 HG2 0.04 -0.06 -0.19 -0.04 2.34 2.09 2rl9A1 GLU 74 HG3 0.04 0.08 -0.12 -0.04 2.34 2.30 2rl9A1 THR 75 H -0.04 0.84 0.31 -0.55 8.28 8.84 2rl9A1 THR 75 HA -0.05 0.18 0.98 -0.75 4.39 4.75 2rl9A1 THR 75 HB -0.10 0.01 0.15 -0.04 4.32 4.34 2rl9A1 THR 75 HG23 -0.09 -0.00 -0.20 -0.04 1.22 0.88 2rl9A1 VAL 76 H -0.06 0.22 0.13 -0.55 8.24 7.97 2rl9A1 VAL 76 HA -0.06 0.06 0.68 -0.75 4.13 4.06 2rl9A1 VAL 76 HB -0.07 -0.02 0.11 -0.04 2.12 2.11 2rl9A1 VAL 76 HG13 -0.08 0.01 -0.27 -0.04 0.97 0.58 2rl9A1 VAL 76 HG23 -0.05 0.02 -0.06 -0.04 0.95 0.82 2rl9A1 VAL 77 H -0.08 0.45 0.40 -0.55 8.24 8.47 2rl9A1 VAL 77 HA -0.24 0.05 0.49 -0.75 4.13 3.68 2rl9A1 VAL 77 HB -0.05 0.09 -0.03 -0.04 2.12 2.09 2rl9A1 VAL 77 HG13 -0.26 -0.02 -0.24 -0.04 0.97 0.41 2rl9A1 VAL 77 HG23 -0.23 -0.00 -0.11 -0.04 0.95 0.57 2rl9A1 GLY 78 H -0.02 0.29 0.11 -0.55 8.43 8.27 2rl9A1 GLY 78 HA2 0.02 0.20 0.01 -0.51 4.01 3.73 2rl9A1 GLY 78 HA3 0.13 0.08 0.06 -0.51 4.01 3.77 2rl9A1 ARG 79 H -0.06 0.78 0.03 -0.55 8.46 8.66 2rl9A1 ARG 79 HA -0.35 -0.10 1.01 -0.75 4.34 4.16 2rl9A1 ARG 79 HB2 -0.17 0.11 0.12 -0.04 1.90 1.92 2rl9A1 ARG 79 HB3 -0.38 0.02 0.06 -0.04 1.80 1.46 2rl9A1 ARG 79 HG2 -0.22 -0.14 -0.45 -0.04 1.67 0.81 2rl9A1 ARG 79 HG3 -0.13 -0.00 -0.24 -0.04 1.67 1.25 2rl9A1 ARG 79 HD2 -0.11 0.11 0.02 -0.04 3.22 3.19 2rl9A1 ARG 79 HD3 -0.19 -0.00 -0.01 -0.04 3.22 2.97 2rl9A1 PHE 80 H -0.79 0.35 0.02 -0.55 8.34 7.37 2rl9A1 PHE 80 HA -0.25 0.12 0.42 -0.75 4.62 4.15 2rl9A1 PHE 80 HB2 -0.09 -0.06 0.05 -0.04 3.15 3.00 2rl9A1 PHE 80 HB3 -0.56 0.01 0.02 -0.04 3.06 2.48 2rl9A1 PHE 80 HD2 -0.19 0.09 -0.50 -0.04 7.28 6.64 2rl9A1 PHE 80 HE2 -0.10 -0.00 -0.45 -0.04 7.38 6.78 2rl9A1 PHE 80 HZ -0.09 -0.04 -0.20 -0.04 7.32 6.96 2rl9A1 ASN 81 H -0.38 0.17 -0.32 -0.55 8.53 7.45 2rl9A1 ASN 81 HA 0.08 0.12 0.65 -0.75 4.76 4.85 2rl9A1 ASN 81 HB2 -0.04 0.01 0.14 -0.04 2.88 2.96 2rl9A1 ASN 81 HB3 -0.20 0.01 0.06 -0.04 2.79 2.62 2rl9A1 ASN 81 HD21 -0.07 0.01 -0.05 -0.04 7.03 6.87 2rl9A1 ASN 81 HD22 -0.06 -0.01 -0.01 -0.04 7.74 7.62 2rl9A1 GLU 82 H 0.02 0.21 -0.56 -0.55 8.60 7.72 2rl9A1 GLU 82 HA 0.06 0.23 0.81 -0.75 4.29 4.64 2rl9A1 GLU 82 HB2 0.03 0.16 0.11 -0.04 2.09 2.35 2rl9A1 GLU 82 HB3 0.06 -0.10 0.15 -0.04 1.99 2.06 2rl9A1 GLU 82 HG2 0.02 0.14 -0.07 -0.04 2.34 2.39 2rl9A1 GLU 82 HG3 -0.02 -0.04 -0.28 -0.04 2.34 1.96 2rl9A1 THR 83 H 0.14 0.56 0.06 -0.55 8.28 8.49 2rl9A1 THR 83 HA 0.25 0.34 1.06 -0.75 4.39 5.29 2rl9A1 THR 83 HB 0.17 -0.01 -0.08 -0.04 4.32 4.36 2rl9A1 THR 83 HG23 0.11 -0.02 -0.13 -0.04 1.22 1.13 2rl9A1 GLN 84 H 0.10 0.49 0.38 -0.55 8.47 8.90 2rl9A1 GLN 84 HA 0.12 0.06 0.74 -0.75 4.36 4.52 2rl9A1 GLN 84 HB2 0.11 0.05 -0.07 -0.04 2.15 2.20 2rl9A1 GLN 84 HB3 0.16 -0.03 0.10 -0.04 2.02 2.21 2rl9A1 GLN 84 HG2 0.16 -0.03 0.04 -0.04 2.40 2.53 2rl9A1 GLN 84 HG3 0.08 -0.01 0.08 -0.04 2.39 2.50 2rl9A1 GLN 84 HE21 -0.19 -0.00 -0.08 -0.04 6.97 6.66 2rl9A1 GLN 84 HE22 -0.04 -0.01 -0.10 -0.04 7.69 7.50 2rl9A1 ILE 85 H 0.17 0.19 0.16 -0.55 8.25 8.22 2rl9A1 ILE 85 HA 0.08 0.35 0.96 -0.75 4.18 4.82 2rl9A1 ILE 85 HB 0.04 -0.01 -0.17 -0.04 1.89 1.71 2rl9A1 ILE 85 HG12 0.00 -0.02 -0.28 -0.04 1.49 1.15 2rl9A1 ILE 85 HG13 -0.06 0.16 -0.01 -0.04 1.21 1.26 2rl9A1 ILE 85 HG23 0.08 -0.02 -0.06 -0.04 0.93 0.88 2rl9A1 ILE 85 HD13 0.02 -0.01 -0.19 -0.04 0.88 0.66 2rl9A1 PHE 86 H -0.29 0.62 0.37 -0.55 8.34 8.49 2rl9A1 PHE 86 HA -0.03 0.12 0.66 -0.75 4.62 4.61 2rl9A1 PHE 86 HB2 -0.02 0.03 0.10 -0.04 3.15 3.22 2rl9A1 PHE 86 HB3 0.01 0.03 -0.05 -0.04 3.06 3.01 2rl9A1 PHE 86 HD2 0.11 -0.05 -0.29 -0.04 7.28 7.01 2rl9A1 PHE 86 HE2 0.19 0.00 -0.14 -0.04 7.38 7.39 2rl9A1 PHE 86 HZ 0.08 0.00 -0.10 -0.04 7.32 7.26 2rl9A1 GLN 87 H -0.02 0.22 0.23 -0.55 8.47 8.35 2rl9A1 GLN 87 HA -0.67 0.09 1.13 -0.75 4.36 4.16 2rl9A1 GLN 87 HB2 -0.40 0.21 0.09 -0.04 2.15 2.01 2rl9A1 GLN 87 HB3 -0.21 -0.06 -0.11 -0.04 2.02 1.60 2rl9A1 GLN 87 HG2 -0.11 -0.12 0.03 -0.04 2.40 2.16 2rl9A1 GLN 87 HG3 -0.22 0.02 -0.11 -0.04 2.39 2.04 2rl9A1 GLN 87 HE21 -0.08 0.02 -0.05 -0.04 6.97 6.82 2rl9A1 GLN 87 HE22 -0.08 -0.08 -0.03 -0.04 7.69 7.45 2rl9A1 GLY 88 H -1.86 0.75 0.27 -0.55 8.43 7.04 2rl9A1 GLY 88 HA2 -0.46 0.18 0.85 -0.51 4.01 4.07 2rl9A1 GLY 88 HA3 -1.31 -0.08 0.39 -0.51 4.01 2.50 2rl9A1 SER 89 H -0.12 0.08 0.15 -0.55 8.46 8.03 2rl9A1 SER 89 HA -0.13 0.15 0.48 -0.75 4.49 4.24 2rl9A1 SER 89 HB2 0.09 -0.07 0.18 -0.04 3.95 4.12 2rl9A1 SER 89 HB3 0.01 0.05 0.01 -0.04 3.93 3.97 2rl9A1 ASN 90 H 0.05 0.01 0.03 -0.55 8.53 8.06 2rl9A1 ASN 90 HA -0.04 0.40 0.91 -0.75 4.76 5.28 2rl9A1 ASN 90 HB2 0.05 -0.03 0.27 -0.04 2.88 3.12 2rl9A1 ASN 90 HB3 0.03 0.03 -0.01 -0.04 2.79 2.80 2rl9A1 ASN 90 HD21 0.10 -0.00 0.02 -0.04 7.03 7.11 2rl9A1 ASN 90 HD22 0.07 0.02 0.08 -0.04 7.74 7.86 2rl9A1 TRP 91 H -0.47 0.18 -0.15 -0.55 7.97 6.98 2rl9A1 TRP 91 HA -0.04 0.35 0.79 -0.75 4.62 4.97 2rl9A1 TRP 91 HB2 -0.05 0.06 -0.05 -0.04 3.23 3.15 2rl9A1 TRP 91 HB3 -0.03 0.03 -0.09 -0.04 3.23 3.10 2rl9A1 TRP 91 HD1 -0.01 -0.03 -0.11 -0.04 7.22 7.03 2rl9A1 TRP 91 HE1 0.01 -0.01 0.05 -0.04 10.20 10.21 2rl9A1 TRP 91 HE3 -0.13 0.10 -0.57 -0.04 7.59 6.96 2rl9A1 TRP 91 HZ2 0.06 0.02 -0.05 -0.04 7.44 7.44 2rl9A1 TRP 91 HZ3 -0.29 0.04 -0.17 -0.04 7.13 6.67 2rl9A1 TRP 91 HH2 0.25 0.04 -0.17 -0.04 7.19 7.27 2rl9A1 ILE 92 H 0.17 0.74 0.37 -0.55 8.25 8.98 2rl9A1 ILE 92 HA -0.24 0.11 1.07 -0.75 4.18 4.37 2rl9A1 ILE 92 HB -0.02 -0.02 0.03 -0.04 1.89 1.84 2rl9A1 ILE 92 HG12 -0.17 0.01 -0.16 -0.04 1.49 1.13 2rl9A1 ILE 92 HG13 -0.09 -0.08 -0.41 -0.04 1.21 0.59 2rl9A1 ILE 92 HG23 -0.09 0.00 -0.20 -0.04 0.93 0.60 2rl9A1 ILE 92 HD13 -0.05 0.03 -0.17 -0.04 0.88 0.65 2rl9A1 MET 93 H -0.29 0.78 0.39 -0.55 8.47 8.81 2rl9A1 MET 93 HA -0.06 0.29 1.22 -0.75 4.52 5.21 2rl9A1 MET 93 HB2 -0.01 -0.05 -0.05 -0.04 2.15 2.00 2rl9A1 MET 93 HB3 -0.97 -0.04 0.11 -0.04 2.03 1.09 2rl9A1 MET 93 HG2 -0.21 -0.02 -0.35 -0.04 2.63 2.01 2rl9A1 MET 93 HG3 -0.09 0.10 -0.08 -0.04 2.56 2.44 2rl9A1 MET 93 HE3 -0.09 0.00 -0.12 -0.04 2.10 1.85 2rl9A1 LEU 94 H -0.09 0.61 0.35 -0.55 8.37 8.69 2rl9A1 LEU 94 HA -0.08 0.23 1.10 -0.75 4.35 4.84 2rl9A1 LEU 94 HB2 -0.05 0.01 -0.05 -0.04 1.64 1.51 2rl9A1 LEU 94 HB3 -0.10 -0.02 0.09 -0.04 1.64 1.57 2rl9A1 LEU 94 HG -0.16 0.02 -0.02 -0.04 1.64 1.44 2rl9A1 LEU 94 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.80 2rl9A1 LEU 94 HD23 -0.83 0.01 -0.47 -0.04 0.89 -0.44 2rl9A1 ILE 95 H -0.03 0.62 0.39 -0.55 8.25 8.69 2rl9A1 ILE 95 HA -0.02 0.37 1.21 -0.75 4.18 4.98 2rl9A1 ILE 95 HB 0.11 -0.06 0.13 -0.04 1.89 2.02 2rl9A1 ILE 95 HG12 0.05 0.04 -0.18 -0.04 1.49 1.36 2rl9A1 ILE 95 HG13 0.08 -0.04 -0.44 -0.04 1.21 0.77 2rl9A1 ILE 95 HG23 0.09 0.01 -0.13 -0.04 0.93 0.87 2rl9A1 ILE 95 HD13 0.18 -0.01 -0.12 -0.04 0.88 0.89 2rl9A1 TYR 96 H 0.10 0.45 0.28 -0.55 8.29 8.57 2rl9A1 TYR 96 HA 0.08 0.27 0.92 -0.75 4.56 5.08 2rl9A1 TYR 96 HB2 0.07 -0.10 0.07 -0.04 3.06 3.07 2rl9A1 TYR 96 HB3 0.06 -0.03 -0.31 -0.04 2.98 2.65 2rl9A1 TYR 96 HD2 0.13 0.05 -0.18 -0.04 7.15 7.11 2rl9A1 TYR 96 HE2 0.30 0.09 -0.06 -0.04 6.85 7.14 2rl9A1 LYS 97 H 0.17 0.75 0.35 -0.55 8.42 9.13 2rl9A1 LYS 97 HA 0.11 0.15 0.98 -0.75 4.32 4.81 2rl9A1 LYS 97 HB2 0.08 0.10 0.16 -0.04 1.87 2.17 2rl9A1 LYS 97 HB3 0.06 -0.09 0.20 -0.04 1.79 1.93 2rl9A1 LYS 97 HG2 0.09 0.01 0.02 -0.04 1.46 1.54 2rl9A1 LYS 97 HG3 0.10 0.00 -0.13 -0.04 1.46 1.39 2rl9A1 LYS 97 HD2 0.06 -0.02 -0.03 -0.04 1.69 1.66 2rl9A1 LYS 97 HD3 0.06 0.03 -0.02 -0.04 1.68 1.71 2rl9A1 LYS 97 HE2 0.05 -0.01 0.05 -0.04 2.99 3.05 2rl9A1 LYS 97 HE3 0.06 0.00 0.03 -0.04 2.99 3.04 2rl9A1 GLY 98 H 0.05 0.16 0.20 -0.55 8.43 8.29 2rl9A1 GLY 98 HA2 0.01 0.02 0.37 -0.51 4.01 3.90 2rl9A1 GLY 98 HA3 -0.01 0.02 0.41 -0.51 4.01 3.92 2rl9A1 GLY 99 H 0.00 0.57 -0.10 -0.55 8.43 8.35 2rl9A1 GLY 99 HA2 -0.06 -0.05 0.18 -0.51 4.01 3.57 2rl9A1 GLY 99 HA3 -0.05 0.19 -0.08 -0.51 4.01 3.56 2rl9A1 ASP 100 H -0.09 0.58 0.24 -0.55 8.40 8.58 2rl9A1 ASP 100 HA -0.05 0.07 0.52 -0.75 4.63 4.42 2rl9A1 ASP 100 HB2 -0.08 -0.02 0.10 -0.04 2.71 2.66 2rl9A1 ASP 100 HB3 -0.05 0.08 0.08 -0.04 2.70 2.78 2rl9A1 GLU 101 H -0.03 0.08 0.14 -0.55 8.60 8.25 2rl9A1 GLU 101 HA -0.03 0.11 0.29 -0.75 4.29 3.90 2rl9A1 GLU 101 HB2 0.01 -0.10 0.07 -0.04 2.09 2.03 2rl9A1 GLU 101 HB3 0.05 0.27 -0.11 -0.04 1.99 2.16 2rl9A1 GLU 101 HG2 0.03 -0.03 -0.20 -0.04 2.34 2.10 2rl9A1 GLU 101 HG3 0.00 -0.06 0.02 -0.04 2.34 2.26 2rl9A1 TYR 102 H 0.13 0.62 0.06 -0.55 8.29 8.55 2rl9A1 TYR 102 HA 0.06 0.01 0.49 -0.75 4.56 4.38 2rl9A1 TYR 102 HB2 0.08 0.10 0.06 -0.04 3.06 3.26 2rl9A1 TYR 102 HB3 0.12 -0.27 -0.01 -0.04 2.98 2.78 2rl9A1 TYR 102 HD2 0.04 0.02 -0.07 -0.04 7.15 7.10 2rl9A1 TYR 102 HE2 0.00 -0.02 -0.11 -0.04 6.85 6.68 2rl9A1 ASP 103 H 0.25 0.01 0.16 -0.55 8.40 8.27 2rl9A1 ASP 103 HA 0.10 0.30 0.91 -0.75 4.63 5.19 2rl9A1 ASP 103 HB2 0.12 -0.06 0.09 -0.04 2.71 2.81 2rl9A1 ASP 103 HB3 0.07 0.03 0.02 -0.04 2.70 2.78 2rl9A1 ASN 104 H 0.24 -0.02 0.09 -0.55 8.53 8.30 2rl9A1 ASN 104 HA 0.01 0.27 0.85 -0.75 4.76 5.14 2rl9A1 ASN 104 HB2 0.09 -0.02 0.06 -0.04 2.88 2.96 2rl9A1 ASN 104 HB3 -0.09 0.03 0.18 -0.04 2.79 2.88 2rl9A1 ASN 104 HD21 0.06 0.05 -0.08 -0.04 7.03 7.02 2rl9A1 ASN 104 HD22 0.12 -0.03 -0.03 -0.04 7.74 7.76 2rl9A1 HIS 105 H 0.14 0.18 -0.10 -0.55 8.41 8.10 2rl9A1 HIS 105 HA -0.12 0.23 0.71 -0.75 4.63 4.69 2rl9A1 HIS 105 HB2 -0.73 -0.08 -0.03 -0.04 3.26 2.38 2rl9A1 HIS 105 HB3 -0.49 0.11 0.15 -0.04 3.20 2.93 2rl9A1 HIS 105 HD2 -0.18 0.19 0.07 -0.04 6.97 7.01 2rl9A1 HIS 105 HE1 -0.01 -0.01 -0.06 -0.04 7.75 7.63 2rl9A1 CYS 106 H -0.08 0.27 0.09 -0.55 8.50 8.24 2rl9A1 CYS 106 HA -0.01 0.35 0.27 -0.75 4.58 4.44 2rl9A1 CYS 106 HB2 0.12 0.02 -0.09 -0.04 2.97 2.98 2rl9A1 CYS 106 HB3 0.08 -0.08 0.01 -0.04 2.97 2.94 2rl9A1 GLY 107 H 0.00 0.05 -0.18 -0.55 8.43 7.76 2rl9A1 GLY 107 HA2 0.02 -0.02 0.24 -0.51 4.01 3.75 2rl9A1 GLY 107 HA3 0.04 0.09 0.38 -0.51 4.01 4.01 2rl9A1 ARG 108 H 0.09 0.39 -0.54 -0.55 8.46 7.85 2rl9A1 ARG 108 HA 0.19 -0.02 0.18 -0.75 4.34 3.93 2rl9A1 ARG 108 HB2 0.06 0.05 -0.23 -0.04 1.90 1.74 2rl9A1 ARG 108 HB3 0.08 0.00 0.22 -0.04 1.80 2.06 2rl9A1 ARG 108 HG2 0.09 0.05 -0.09 -0.04 1.67 1.69 2rl9A1 ARG 108 HG3 0.06 -0.17 -0.28 -0.04 1.67 1.25 2rl9A1 ARG 108 HD2 0.04 0.11 0.02 -0.04 3.22 3.35 2rl9A1 ARG 108 HD3 0.03 -0.08 -0.10 -0.04 3.22 3.03 2rl9A1 GLU 109 H 0.20 0.36 -0.09 -0.55 8.60 8.52 2rl9A1 GLU 109 HA 0.09 0.13 0.69 -0.75 4.29 4.45 2rl9A1 GLU 109 HB2 0.10 -0.09 0.16 -0.04 2.09 2.22 2rl9A1 GLU 109 HB3 0.10 0.06 0.08 -0.04 1.99 2.19 2rl9A1 GLU 109 HG2 0.21 0.36 0.14 -0.04 2.34 3.00 2rl9A1 GLU 109 HG3 0.27 0.02 -0.25 -0.04 2.34 2.34 2rl9A1 GLN 110 H 0.06 0.08 0.16 -0.55 8.47 8.22 2rl9A1 GLN 110 HA -0.02 0.06 0.20 -0.75 4.36 3.86 2rl9A1 GLN 110 HB2 0.03 -0.10 0.14 -0.04 2.15 2.18 2rl9A1 GLN 110 HB3 -0.00 0.24 -0.00 -0.04 2.02 2.21 2rl9A1 GLN 110 HG2 0.01 0.04 0.02 -0.04 2.40 2.43 2rl9A1 GLN 110 HG3 0.03 -0.06 0.14 -0.04 2.39 2.46 2rl9A1 GLN 110 HE21 0.01 0.01 0.05 -0.04 6.97 7.00 2rl9A1 GLN 110 HE22 0.03 -0.03 0.08 -0.04 7.69 7.73 2rl9A1 ARG 111 H -0.12 0.41 -0.21 -0.55 8.46 7.98 2rl9A1 ARG 111 HA -0.04 -0.00 0.33 -0.75 4.34 3.87 2rl9A1 ARG 111 HB2 -0.12 -0.02 0.17 -0.04 1.90 1.90 2rl9A1 ARG 111 HB3 -0.02 -0.08 0.19 -0.04 1.80 1.85 2rl9A1 ARG 111 HG2 -0.70 -0.10 -0.01 -0.04 1.67 0.81 2rl9A1 ARG 111 HG3 -0.46 0.41 0.05 -0.04 1.67 1.62 2rl9A1 ARG 111 HD2 -0.18 0.03 -0.07 -0.04 3.22 2.96 2rl9A1 ARG 111 HD3 -0.22 -0.08 -0.05 -0.04 3.22 2.82 2rl9A1 ARG 112 H 0.29 0.08 0.22 -0.55 8.46 8.50 2rl9A1 ARG 112 HA 0.15 0.21 0.82 -0.75 4.34 4.77 2rl9A1 ARG 112 HB2 0.17 0.10 -0.22 -0.04 1.90 1.90 2rl9A1 ARG 112 HB3 0.28 -0.03 0.06 -0.04 1.80 2.06 2rl9A1 ARG 112 HG2 0.20 -0.03 -0.20 -0.04 1.67 1.60 2rl9A1 ARG 112 HG3 0.14 0.01 0.02 -0.04 1.67 1.81 2rl9A1 ARG 112 HD2 0.16 0.04 -0.06 -0.04 3.22 3.32 2rl9A1 ARG 112 HD3 0.09 -0.05 -0.07 -0.04 3.22 3.14 2rl9A1 ALA 113 H 0.20 0.72 0.31 -0.55 8.40 9.08 2rl9A1 ALA 113 HA 0.39 0.18 1.12 -0.75 4.34 5.28 2rl9A1 ALA 113 HB3 0.14 -0.03 -0.08 -0.04 1.41 1.40 2rl9A1 VAL 114 H 0.38 0.68 0.34 -0.55 8.24 9.09 2rl9A1 VAL 114 HA 0.07 0.25 1.10 -0.75 4.13 4.80 2rl9A1 VAL 114 HB 0.26 0.01 0.21 -0.04 2.12 2.56 2rl9A1 VAL 114 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.78 2rl9A1 VAL 114 HG23 0.04 -0.01 -0.18 -0.04 0.95 0.76 2rl9A1 VAL 115 H -0.05 0.81 0.31 -0.55 8.24 8.76 2rl9A1 VAL 115 HA 0.04 0.23 1.09 -0.75 4.13 4.74 2rl9A1 VAL 115 HB -0.20 -0.03 0.08 -0.04 2.12 1.94 2rl9A1 VAL 115 HG13 -0.21 -0.00 -0.34 -0.04 0.97 0.38 2rl9A1 VAL 115 HG23 -0.55 -0.01 -0.28 -0.04 0.95 0.07 2rl9A1 MET 116 H -0.01 0.90 0.44 -0.55 8.47 9.26 2rl9A1 MET 116 HA -0.01 0.11 0.89 -0.75 4.52 4.76 2rl9A1 MET 116 HB2 -0.07 -0.02 0.06 -0.04 2.15 2.08 2rl9A1 MET 116 HB3 -0.04 0.03 0.29 -0.04 2.03 2.26 2rl9A1 MET 116 HG2 -0.09 -0.02 -0.04 -0.04 2.63 2.43 2rl9A1 MET 116 HG3 -0.01 -0.01 -0.32 -0.04 2.56 2.17 2rl9A1 MET 116 HE3 0.32 0.01 -0.21 -0.04 2.10 2.19 2rl9A1 ILE 117 H 0.07 0.80 0.37 -0.55 8.25 8.94 2rl9A1 ILE 117 HA 0.03 0.34 1.11 -0.75 4.18 4.90 2rl9A1 ILE 117 HB 0.04 -0.04 0.18 -0.04 1.89 2.02 2rl9A1 ILE 117 HG12 0.02 -0.00 -0.24 -0.04 1.49 1.23 2rl9A1 ILE 117 HG13 0.01 -0.04 -0.33 -0.04 1.21 0.81 2rl9A1 ILE 117 HG23 0.02 0.01 -0.30 -0.04 0.93 0.62 2rl9A1 ILE 117 HD13 0.05 -0.01 -0.17 -0.04 0.88 0.71 2rl9A1 SER 118 H 0.04 0.42 0.29 -0.55 8.46 8.66 2rl9A1 SER 118 HA 0.14 0.13 0.90 -0.75 4.49 4.90 2rl9A1 SER 118 HB2 0.02 -0.01 0.08 -0.04 3.95 4.00 2rl9A1 SER 118 HB3 0.05 0.06 0.11 -0.04 3.93 4.10 2rl9A1 CYS 119 H 0.07 0.46 0.32 -0.55 8.50 8.80 2rl9A1 CYS 119 HA 0.01 0.24 0.42 -0.75 4.58 4.50 2rl9A1 CYS 119 HB2 0.01 0.26 -0.49 -0.04 2.97 2.71 2rl9A1 CYS 119 HB3 0.03 0.01 0.18 -0.04 2.97 3.14 2rl9A1 ASN 120 H -0.02 0.33 -0.11 -0.55 8.53 8.19 2rl9A1 ASN 120 HA -0.10 0.05 0.50 -0.75 4.76 4.46 2rl9A1 ASN 120 HB2 -0.02 0.18 -0.31 -0.04 2.88 2.69 2rl9A1 ASN 120 HB3 -0.01 -0.06 -0.12 -0.04 2.79 2.56 2rl9A1 ASN 120 HD21 -0.01 -0.00 -0.05 -0.04 7.03 6.93 2rl9A1 ASN 120 HD22 -0.01 0.08 -0.05 -0.04 7.74 7.71 2rl9A1 ARG 121 H -0.19 0.17 0.09 -0.55 8.46 7.98 2rl9A1 ARG 121 HA -0.02 0.12 0.43 -0.75 4.34 4.12 2rl9A1 ARG 121 HB2 -0.13 -0.02 0.06 -0.04 1.90 1.78 2rl9A1 ARG 121 HB3 0.04 0.06 0.05 -0.04 1.80 1.90 2rl9A1 ARG 121 HG2 -0.10 -0.07 0.09 -0.04 1.67 1.55 2rl9A1 ARG 121 HG3 -0.04 0.03 0.04 -0.04 1.67 1.66 2rl9A1 ARG 121 HD2 0.00 0.03 0.02 -0.04 3.22 3.23 2rl9A1 ARG 121 HD3 -0.02 0.01 0.01 -0.04 3.22 3.19 2rl9A1 HIS 122 H -0.31 0.02 -0.17 -0.55 8.41 7.40 2rl9A1 HIS 122 HA 0.02 0.14 0.39 -0.75 4.63 4.42 2rl9A1 HIS 122 HB2 0.02 -0.00 -0.04 -0.04 3.26 3.20 2rl9A1 HIS 122 HB3 0.02 0.04 0.07 -0.04 3.20 3.28 2rl9A1 HIS 122 HD2 0.02 0.03 -0.01 -0.04 6.97 6.96 2rl9A1 HIS 122 HE1 0.01 0.03 -0.01 -0.04 7.75 7.73 2rl9A1 THR 123 H 0.06 0.29 -0.39 -0.55 8.28 7.68 2rl9A1 THR 123 HA 0.07 0.24 0.89 -0.75 4.39 4.84 2rl9A1 THR 123 HB 0.08 0.07 -0.27 -0.04 4.32 4.17 2rl9A1 THR 123 HG23 0.05 -0.02 -0.32 -0.04 1.22 0.89 2rl9A1 LEU 124 H 0.07 0.21 0.14 -0.55 8.37 8.24 2rl9A1 LEU 124 HA 0.04 0.03 0.63 -0.75 4.35 4.30 2rl9A1 LEU 124 HB2 0.05 0.02 0.10 -0.04 1.64 1.77 2rl9A1 LEU 124 HB3 0.07 0.04 0.11 -0.04 1.64 1.82 2rl9A1 LEU 124 HG 0.08 0.02 -0.10 -0.04 1.64 1.60 2rl9A1 LEU 124 HD13 0.03 -0.02 0.05 -0.04 0.93 0.95 2rl9A1 LEU 124 HD23 0.04 0.02 -0.02 -0.04 0.89 0.89 2rl9A1 ALA 125 H 0.10 0.05 -0.12 -0.55 8.40 7.88 2rl9A1 ALA 125 HA 0.03 0.38 0.51 -0.75 4.34 4.50 2rl9A1 ALA 125 HB3 0.14 0.05 -0.00 -0.04 1.41 1.56 2rl9A1 ASP 126 H 0.03 0.62 0.23 -0.55 8.40 8.74 2rl9A1 ASP 126 HA 0.18 0.07 0.45 -0.75 4.63 4.57 2rl9A1 ASP 126 HB2 0.11 0.21 -0.17 -0.04 2.71 2.82 2rl9A1 ASP 126 HB3 0.08 -0.04 -0.17 -0.04 2.70 2.53 2rl9A1 ASN 127 H 0.14 0.18 0.19 -0.55 8.53 8.49 2rl9A1 ASN 127 HA 0.09 0.08 0.33 -0.75 4.76 4.51 2rl9A1 ASN 127 HB2 0.04 0.12 0.20 -0.04 2.88 3.20 2rl9A1 ASN 127 HB3 0.04 0.03 0.17 -0.04 2.79 2.99 2rl9A1 ASN 127 HD21 0.05 0.01 -0.14 -0.04 7.03 6.91 2rl9A1 ASN 127 HD22 0.04 0.03 -0.19 -0.04 7.74 7.58 2rl9A1 PHE 128 H 0.28 0.00 -0.04 -0.55 8.34 8.03 2rl9A1 PHE 128 HA 0.01 0.30 0.64 -0.75 4.62 4.81 2rl9A1 PHE 128 HB2 0.02 -0.01 -0.03 -0.04 3.15 3.08 2rl9A1 PHE 128 HB3 0.17 -0.02 0.03 -0.04 3.06 3.20 2rl9A1 PHE 128 HD2 0.05 0.01 -0.41 -0.04 7.28 6.89 2rl9A1 PHE 128 HE2 -0.24 -0.02 -0.25 -0.04 7.38 6.83 2rl9A1 PHE 128 HZ -0.36 -0.04 -0.28 -0.04 7.32 6.59 2rl9A1 ASN 129 H -0.37 0.56 0.41 -0.55 8.53 8.58 2rl9A1 ASN 129 HA -0.26 0.05 0.77 -0.75 4.76 4.56 2rl9A1 ASN 129 HB2 -0.11 0.03 0.02 -0.04 2.88 2.78 2rl9A1 ASN 129 HB3 -0.12 0.15 0.05 -0.04 2.79 2.83 2rl9A1 ASN 129 HD21 0.02 -0.06 -0.08 -0.04 7.03 6.87 2rl9A1 ASN 129 HD22 -0.01 0.06 -0.13 -0.04 7.74 7.61 2rl9A1 PRO 130 HA -0.63 0.09 0.68 -0.51 4.44 4.06 2rl9A1 PRO 130 HB2 -0.23 0.06 -0.01 -0.04 2.28 2.06 2rl9A1 PRO 130 HB3 -0.67 -0.00 0.05 -0.04 2.02 1.36 2rl9A1 PRO 130 HG2 -0.02 0.03 0.03 -0.04 2.03 2.03 2rl9A1 PRO 130 HG3 -0.34 0.01 -0.02 -0.04 2.03 1.64 2rl9A1 PRO 130 HD2 -0.07 0.14 0.24 -0.04 3.68 3.95 2rl9A1 PRO 130 HD3 -0.14 0.08 0.19 -0.04 3.65 3.73 2rl9A1 VAL 131 H -0.52 0.63 0.49 -0.55 8.24 8.29 2rl9A1 VAL 131 HA -0.17 0.19 0.91 -0.75 4.13 4.30 2rl9A1 VAL 131 HB -0.22 -0.01 0.05 -0.04 2.12 1.90 2rl9A1 VAL 131 HG13 -0.11 -0.01 -0.12 -0.04 0.97 0.68 2rl9A1 VAL 131 HG23 -0.15 0.00 -0.15 -0.04 0.95 0.61 2rl9A1 SER 132 H -0.38 0.32 0.41 -0.55 8.46 8.26 2rl9A1 SER 132 HA -0.20 0.11 0.38 -0.75 4.49 4.02 2rl9A1 SER 132 HB2 -0.19 -0.04 0.15 -0.04 3.95 3.83 2rl9A1 SER 132 HB3 -0.16 0.27 -0.10 -0.04 3.93 3.90 2rl9A1 GLU 133 H -0.25 0.30 0.18 -0.55 8.60 8.29 2rl9A1 GLU 133 HA -0.54 0.23 1.08 -0.75 4.29 4.31 2rl9A1 GLU 133 HB2 -0.36 -0.01 -0.05 -0.04 2.09 1.64 2rl9A1 GLU 133 HB3 -0.31 -0.01 0.11 -0.04 1.99 1.74 2rl9A1 GLU 133 HG2 -0.70 0.03 -0.22 -0.04 2.34 1.41 2rl9A1 GLU 133 HG3 -2.06 0.00 -0.03 -0.04 2.34 0.20 2rl9A1 GLU 134 H -0.68 0.80 0.27 -0.55 8.60 8.45 2rl9A1 GLU 134 HA -0.29 0.12 0.86 -0.75 4.29 4.23 2rl9A1 GLU 134 HB2 -0.56 0.04 0.05 -0.04 2.09 1.58 2rl9A1 GLU 134 HB3 -1.13 0.06 0.26 -0.04 1.99 1.15 2rl9A1 GLU 134 HG2 0.03 0.12 0.01 -0.04 2.34 2.45 2rl9A1 GLU 134 HG3 -0.10 -0.10 -0.04 -0.04 2.34 2.06 2rl9A1 ARG 135 H -0.20 0.30 0.04 -0.55 8.46 8.04 2rl9A1 ARG 135 HA -0.23 0.20 0.94 -0.75 4.34 4.49 2rl9A1 ARG 135 HB2 -0.51 -0.03 0.14 -0.04 1.90 1.46 2rl9A1 ARG 135 HB3 -0.33 0.00 -0.10 -0.04 1.80 1.34 2rl9A1 ARG 135 HG2 -0.17 0.05 -0.01 -0.04 1.67 1.49 2rl9A1 ARG 135 HG3 -0.05 0.03 -0.14 -0.04 1.67 1.46 2rl9A1 ARG 135 HD2 -0.78 -0.02 -0.02 -0.04 3.22 2.35 2rl9A1 ARG 135 HD3 -0.27 -0.01 -0.05 -0.04 3.22 2.85 2rl9A1 GLY 136 H -0.10 0.09 -0.16 -0.55 8.43 7.71 2rl9A1 GLY 136 HA2 -0.03 0.21 0.72 -0.51 4.01 4.41 2rl9A1 GLY 136 HA3 -0.04 0.03 0.35 -0.51 4.01 3.84 2rl9A1 LYS 137 H -0.04 0.16 -0.35 -0.55 8.42 7.64 2rl9A1 LYS 137 HA -0.01 0.23 0.96 -0.75 4.32 4.75 2rl9A1 LYS 137 HB2 0.03 0.08 -0.13 -0.04 1.87 1.80 2rl9A1 LYS 137 HB3 0.03 0.00 0.06 -0.04 1.79 1.84 2rl9A1 LYS 137 HG2 0.02 0.06 -0.15 -0.04 1.46 1.35 2rl9A1 LYS 137 HG3 -0.00 -0.24 -0.44 -0.04 1.46 0.74 2rl9A1 LYS 137 HD2 0.09 -0.05 -0.09 -0.04 1.69 1.60 2rl9A1 LYS 137 HD3 0.11 0.08 -0.18 -0.04 1.68 1.66 2rl9A1 LYS 137 HE2 0.06 0.10 -0.01 -0.04 2.99 3.10 2rl9A1 LYS 137 HE3 0.05 -0.06 -0.04 -0.04 2.99 2.91 2rl9A1 VAL 138 H 0.00 0.21 0.13 -0.55 8.24 8.03 2rl9A1 VAL 138 HA -0.01 0.01 0.36 -0.75 4.13 3.74 2rl9A1 VAL 138 HB 0.01 0.03 0.06 -0.04 2.12 2.17 2rl9A1 VAL 138 HG13 -0.01 0.01 0.05 -0.04 0.97 0.99 2rl9A1 VAL 138 HG23 0.01 0.01 -0.09 -0.04 0.95 0.84 2rl9A1 GLN 139 H 0.03 0.19 -0.37 -0.55 8.47 7.78 2rl9A1 GLN 139 HA 0.06 0.14 0.29 -0.75 4.36 4.09 2rl9A1 GLN 139 HB2 0.05 -0.03 0.10 -0.04 2.15 2.23 2rl9A1 GLN 139 HB3 0.04 0.17 -0.27 -0.04 2.02 1.91 2rl9A1 GLN 139 HG2 0.03 -0.10 -0.21 -0.04 2.40 2.08 2rl9A1 GLN 139 HG3 0.04 0.05 -0.38 -0.04 2.39 2.06 2rl9A1 GLN 139 HE21 0.02 0.01 -0.05 -0.04 6.97 6.91 2rl9A1 GLN 139 HE22 0.03 0.00 -0.08 -0.04 7.69 7.59 2rl9A1 ASP 140 H 0.09 0.18 0.09 -0.55 8.40 8.21 2rl9A1 ASP 140 HA 0.10 0.08 0.33 -0.75 4.63 4.39 2rl9A1 ASP 140 HB2 0.06 0.09 -0.20 -0.04 2.71 2.62 2rl9A1 ASP 140 HB3 0.06 0.02 0.20 -0.04 2.70 2.94 2rl9A1 CYS 141 H 0.17 -0.02 -0.19 -0.55 8.50 7.92 2rl9A1 CYS 141 HA 0.20 0.11 0.54 -0.75 4.58 4.68 2rl9A1 CYS 141 HB2 0.25 -0.03 -0.01 -0.04 2.97 3.13 2rl9A1 CYS 141 HB3 0.05 0.15 0.25 -0.04 2.97 3.38 2rl9A1 PHE 142 H -0.13 0.33 0.27 -0.55 8.34 8.26 2rl9A1 PHE 142 HA 0.19 0.05 0.40 -0.75 4.62 4.51 2rl9A1 PHE 142 HB2 0.11 0.03 -0.04 -0.04 3.15 3.21 2rl9A1 PHE 142 HB3 0.09 0.27 -0.08 -0.04 3.06 3.30 2rl9A1 PHE 142 HD2 0.02 0.10 -0.39 -0.04 7.28 6.97 2rl9A1 PHE 142 HE2 -0.03 0.01 -0.09 -0.04 7.38 7.23 2rl9A1 PHE 142 HZ -0.04 -0.01 -0.08 -0.04 7.32 7.16 2rl9A1 TYR 143 H 0.49 0.65 0.36 -0.55 8.29 9.24 2rl9A1 TYR 143 HA -0.22 0.12 1.06 -0.75 4.56 4.76 2rl9A1 TYR 143 HB2 0.34 0.06 0.24 -0.04 3.06 3.66 2rl9A1 TYR 143 HB3 -0.18 0.00 0.07 -0.04 2.98 2.83 2rl9A1 TYR 143 HD2 0.07 0.06 0.03 -0.04 7.15 7.27 2rl9A1 TYR 143 HE2 -0.02 -0.00 -0.05 -0.04 6.85 6.74 2rl9A1 LEU 144 H -0.41 0.71 0.44 -0.55 8.37 8.56 2rl9A1 LEU 144 HA 0.09 0.34 1.22 -0.75 4.35 5.24 2rl9A1 LEU 144 HB2 0.12 0.00 -0.09 -0.04 1.64 1.63 2rl9A1 LEU 144 HB3 -0.18 -0.11 0.16 -0.04 1.64 1.46 2rl9A1 LEU 144 HG -0.08 0.02 -0.23 -0.04 1.64 1.31 2rl9A1 LEU 144 HD13 0.09 0.05 0.01 -0.04 0.93 1.04 2rl9A1 LEU 144 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 2rl9A1 PHE 145 H 0.17 0.91 0.54 -0.55 8.34 9.41 2rl9A1 PHE 145 HA -0.25 0.18 1.11 -0.75 4.62 4.91 2rl9A1 PHE 145 HB2 -0.20 -0.05 -0.04 -0.04 3.15 2.82 2rl9A1 PHE 145 HB3 -0.53 0.07 0.00 -0.04 3.06 2.57 2rl9A1 PHE 145 HD2 -0.37 0.11 -0.25 -0.04 7.28 6.73 2rl9A1 PHE 145 HE2 -0.49 -0.00 -0.15 -0.04 7.38 6.69 2rl9A1 PHE 145 HZ -0.10 -0.02 -0.14 -0.04 7.32 7.02 2rl9A1 GLU 146 H -0.14 0.56 0.38 -0.55 8.60 8.85 2rl9A1 GLU 146 HA -0.02 0.27 1.10 -0.75 4.29 4.89 2rl9A1 GLU 146 HB2 -0.07 0.02 0.10 -0.04 2.09 2.10 2rl9A1 GLU 146 HB3 -0.04 0.02 0.13 -0.04 1.99 2.06 2rl9A1 GLU 146 HG2 -0.05 0.02 0.02 -0.04 2.34 2.28 2rl9A1 GLU 146 HG3 -0.08 -0.10 -0.33 -0.04 2.34 1.79 2rl9A1 MET 147 H 0.00 0.65 0.42 -0.55 8.47 8.99 2rl9A1 MET 147 HA 0.03 0.22 0.39 -0.75 4.52 4.41 2rl9A1 MET 147 HB2 0.19 -0.02 -0.21 -0.04 2.15 2.06 2rl9A1 MET 147 HB3 0.03 -0.03 -0.16 -0.04 2.03 1.83 2rl9A1 MET 147 HG2 -0.05 0.27 -0.12 -0.04 2.63 2.69 2rl9A1 MET 147 HG3 -0.00 -0.12 -0.19 -0.04 2.56 2.21 2rl9A1 MET 147 HE3 -0.01 -0.00 -0.22 -0.04 2.10 1.83 2rl9A1 ASP 148 H 0.02 0.68 0.28 -0.55 8.40 8.84 2rl9A1 ASP 148 HA 0.01 0.29 0.86 -0.75 4.63 5.04 2rl9A1 ASP 148 HB2 0.03 0.02 0.03 -0.04 2.71 2.75 2rl9A1 ASP 148 HB3 0.02 -0.05 -0.10 -0.04 2.70 2.53 2rl9A1 SER 149 H 0.01 0.52 0.14 -0.55 8.46 8.58 2rl9A1 SER 149 HA 0.02 0.05 0.14 -0.75 4.49 3.95 2rl9A1 SER 149 HB2 -0.01 0.12 -0.22 -0.04 3.95 3.81 2rl9A1 SER 149 HB3 0.01 -0.04 -0.20 -0.04 3.93 3.67 2rl9A1 SER 150 H 0.02 0.43 0.30 -0.55 8.46 8.67 2rl9A1 SER 150 HA -0.00 -0.10 0.44 -0.75 4.49 4.07 2rl9A1 SER 150 HB2 0.01 -0.08 0.11 -0.04 3.95 3.95 2rl9A1 SER 150 HB3 0.02 0.22 0.14 -0.04 3.93 4.27 2rl9A1 LEU 151 H 0.01 0.14 -0.22 -0.55 8.37 7.76 2rl9A1 LEU 151 HA -0.01 0.13 0.44 -0.75 4.35 4.16 2rl9A1 LEU 151 HB2 0.01 -0.02 -0.08 -0.04 1.64 1.51 2rl9A1 LEU 151 HB3 -0.00 0.08 0.06 -0.04 1.64 1.73 2rl9A1 LEU 151 HG 0.02 -0.04 0.09 -0.04 1.64 1.67 2rl9A1 LEU 151 HD13 0.02 0.10 0.05 -0.04 0.93 1.06 2rl9A1 LEU 151 HD23 -0.00 0.00 0.00 -0.04 0.89 0.85 2rl9A1 ALA 152 H -0.00 0.27 -0.80 -0.55 8.40 7.33 2rl9A1 ALA 152 HA -0.04 0.15 0.47 -0.75 4.34 4.17 2rl9A1 ALA 152 HB3 0.02 0.01 -0.32 -0.04 1.41 1.07 2rl9A1 CYS 153 H -0.02 0.36 -0.44 -0.55 8.50 7.86 2rl9A1 CYS 153 HA -0.02 0.08 0.80 -0.75 4.58 4.68 2rl9A1 CYS 153 HB2 -0.01 0.13 0.05 -0.04 2.97 3.10 2rl9A1 CYS 153 HB3 -0.01 -0.02 0.05 -0.04 2.97 2.94 2rl9A1 SER 154 H -0.02 0.22 0.09 -0.55 8.46 8.20 2rl9A1 SER 154 HA -0.03 0.18 0.46 -0.75 4.49 4.35 2rl9A1 SER 154 HB2 -0.05 0.19 0.07 -0.04 3.95 4.12 2rl9A1 SER 154 HB3 -0.04 -0.06 0.07 -0.04 3.93 3.85