============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. HIS 12 0.900 -0.684 -0.621 -17.535 -99.200 -91.000 PHE 15 1.000 3.514 -0.046 -13.267 -99.200 -91.000 TRP 22 1.040 -1.514 2.493 -11.972 -99.200 -91.000 TRP6 22 1.020 -1.383 1.461 -9.813 -99.200 -91.000 TYR 25 0.840 5.274 10.998 -8.187 -99.200 -91.000 PHE 32 1.000 10.100 1.753 -19.664 -99.200 -91.000 TRP 49 1.040 7.145 12.029 3.557 -99.200 -91.000 TRP6 49 1.020 8.688 13.704 2.816 -99.200 -91.000 TYR 55 0.840 -4.980 3.827 -11.191 -99.200 -91.000 TYR 66 0.840 -13.092 -2.897 -3.102 -99.200 -91.000 PHE 70 1.000 2.317 -5.556 -3.742 -99.200 -91.000 TYR 91 0.840 -14.568 12.931 2.706 -99.200 -91.000 PHE 95 1.000 -4.780 -2.460 1.877 -99.200 -91.000 TYR 111 0.840 0.337 -7.453 0.625 -99.200 -91.000 PHE 113 1.000 -9.190 -2.859 1.359 -99.200 -91.000 PHE 119 1.000 -13.862 5.280 2.649 -99.200 -91.000 PHE 131 1.000 2.089 -0.199 -4.449 -99.200 -91.000 HIS 132 0.900 3.829 6.953 1.221 -99.200 -91.000 TYR 139 0.840 13.369 -2.777 -0.237 -99.200 -91.000 PHE 141 1.000 8.391 -2.181 -4.536 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cx1A9 ALA 1 HA -0.01 -0.08 0.20 -0.75 4.34 3.70 1cx1A9 ALA 1 HB3 -0.01 -0.01 0.00 -0.04 1.41 1.36 1cx1A9 SER 2 H -0.01 0.12 0.03 -0.55 8.46 8.05 1cx1A9 SER 2 HA -0.02 0.06 0.32 -0.75 4.49 4.09 1cx1A9 SER 2 HB2 -0.03 0.03 0.10 -0.04 3.95 4.01 1cx1A9 SER 2 HB3 -0.03 0.04 0.19 -0.04 3.93 4.09 1cx1A9 LEU 3 H -0.03 0.08 0.03 -0.55 8.37 7.90 1cx1A9 LEU 3 HA -0.02 0.10 0.40 -0.75 4.35 4.08 1cx1A9 LEU 3 HB2 -0.03 -0.13 0.14 -0.04 1.64 1.58 1cx1A9 LEU 3 HB3 -0.02 0.06 0.14 -0.04 1.64 1.78 1cx1A9 LEU 3 HG -0.03 -0.06 0.06 -0.04 1.64 1.57 1cx1A9 LEU 3 HD13 -0.01 0.02 0.04 -0.04 0.93 0.93 1cx1A9 LEU 3 HD23 -0.03 -0.02 -0.06 -0.04 0.89 0.74 1cx1A9 ASP 4 H -0.01 0.02 -1.79 -0.55 8.40 6.07 1cx1A9 ASP 4 HA -0.01 -0.01 0.15 -0.75 4.63 4.00 1cx1A9 ASP 4 HB2 -0.01 0.06 -0.61 -0.04 2.71 2.11 1cx1A9 ASP 4 HB3 -0.00 -0.06 0.02 -0.04 2.70 2.62 1cx1A9 SER 5 H -0.00 0.04 0.06 -0.55 8.46 8.01 1cx1A9 SER 5 HA -0.00 -0.01 0.28 -0.75 4.49 4.01 1cx1A9 SER 5 HB2 0.00 -0.05 0.14 -0.04 3.95 4.00 1cx1A9 SER 5 HB3 0.00 -0.02 -0.06 -0.04 3.93 3.82 1cx1A9 GLU 6 H 0.01 0.14 0.14 -0.55 8.60 8.34 1cx1A9 GLU 6 HA 0.00 0.22 0.81 -0.75 4.29 4.56 1cx1A9 GLU 6 HB2 0.02 -0.04 -0.16 -0.04 2.09 1.87 1cx1A9 GLU 6 HB3 0.01 0.08 -0.11 -0.04 1.99 1.93 1cx1A9 GLU 6 HG2 0.01 -0.03 0.14 -0.04 2.34 2.43 1cx1A9 GLU 6 HG3 0.01 0.03 -0.05 -0.04 2.34 2.29 1cx1A9 VAL 7 H 0.00 0.16 -0.04 -0.55 8.24 7.81 1cx1A9 VAL 7 HA 0.02 0.19 0.50 -0.75 4.13 4.09 1cx1A9 VAL 7 HB -0.00 -0.16 0.31 -0.04 2.12 2.23 1cx1A9 VAL 7 HG13 0.01 0.03 0.02 -0.04 0.97 0.99 1cx1A9 VAL 7 HG23 -0.04 0.02 -0.04 -0.04 0.95 0.85 1cx1A9 GLU 8 H 0.05 0.55 -0.13 -0.55 8.60 8.52 1cx1A9 GLU 8 HA 0.11 0.35 0.67 -0.75 4.29 4.67 1cx1A9 GLU 8 HB2 0.05 -0.00 -0.00 -0.04 2.09 2.10 1cx1A9 GLU 8 HB3 0.07 -0.00 -0.05 -0.04 1.99 1.97 1cx1A9 GLU 8 HG2 0.06 0.01 -0.09 -0.04 2.34 2.28 1cx1A9 GLU 8 HG3 0.11 0.02 0.03 -0.04 2.34 2.46 1cx1A9 LEU 9 H 0.15 0.41 0.33 -0.55 8.37 8.71 1cx1A9 LEU 9 HA 0.10 0.06 0.53 -0.75 4.35 4.29 1cx1A9 LEU 9 HB2 0.18 0.07 0.21 -0.04 1.64 2.06 1cx1A9 LEU 9 HB3 0.14 -0.00 0.04 -0.04 1.64 1.78 1cx1A9 LEU 9 HG 0.10 -0.02 -0.05 -0.04 1.64 1.64 1cx1A9 LEU 9 HD13 0.16 0.01 0.02 -0.04 0.93 1.08 1cx1A9 LEU 9 HD23 0.08 -0.02 0.03 -0.04 0.89 0.95 1cx1A9 LEU 10 H 0.19 0.08 -0.02 -0.55 8.37 8.08 1cx1A9 LEU 10 HA 0.18 0.25 0.95 -0.75 4.35 4.97 1cx1A9 LEU 10 HB2 0.38 0.05 0.07 -0.04 1.64 2.10 1cx1A9 LEU 10 HB3 0.27 -0.01 0.29 -0.04 1.64 2.15 1cx1A9 LEU 10 HG 0.32 0.02 0.04 -0.04 1.64 1.98 1cx1A9 LEU 10 HD13 -0.01 0.01 0.05 -0.04 0.93 0.93 1cx1A9 LEU 10 HD23 0.19 -0.03 -0.22 -0.04 0.89 0.79 1cx1A9 PRO 11 HA 0.07 0.03 0.25 -0.51 4.44 4.28 1cx1A9 PRO 11 HB2 0.07 -0.00 0.18 -0.04 2.28 2.49 1cx1A9 PRO 11 HB3 0.06 0.00 0.14 -0.04 2.02 2.18 1cx1A9 PRO 11 HG2 0.06 0.00 0.07 -0.04 2.03 2.13 1cx1A9 PRO 11 HG3 0.07 0.08 0.03 -0.04 2.03 2.16 1cx1A9 PRO 11 HD2 0.11 0.07 0.14 -0.04 3.68 3.96 1cx1A9 PRO 11 HD3 0.10 0.43 -0.14 -0.04 3.65 4.01 1cx1A9 HIS 12 H 0.14 1.29 0.10 -0.55 8.41 9.39 1cx1A9 HIS 12 HA -0.01 0.10 0.88 -0.75 4.63 4.84 1cx1A9 HIS 12 HB2 0.04 -0.01 -0.20 -0.04 3.26 3.05 1cx1A9 HIS 12 HB3 -0.01 0.05 0.13 -0.04 3.20 3.33 1cx1A9 HIS 12 HD2 -0.10 0.07 -0.09 -0.04 6.97 6.81 1cx1A9 HIS 12 HE1 -0.09 -0.00 -0.01 -0.04 7.75 7.61 1cx1A9 THR 13 H -0.22 0.19 -0.05 -0.55 8.28 7.65 1cx1A9 THR 13 HA -0.34 0.18 0.67 -0.75 4.39 4.15 1cx1A9 THR 13 HB -0.10 0.16 -0.29 -0.04 4.32 4.05 1cx1A9 THR 13 HG23 -0.06 0.02 -0.08 -0.04 1.22 1.06 1cx1A9 SER 14 H -0.46 0.20 -0.15 -0.55 8.46 7.51 1cx1A9 SER 14 HA -0.11 0.31 0.76 -0.75 4.49 4.70 1cx1A9 SER 14 HB2 -0.11 0.11 -0.09 -0.04 3.95 3.83 1cx1A9 SER 14 HB3 -0.14 -0.05 0.13 -0.04 3.93 3.83 1cx1A9 PHE 15 H 0.04 0.07 -0.63 -0.55 8.34 7.26 1cx1A9 PHE 15 HA -0.12 0.12 0.08 -0.75 4.62 3.94 1cx1A9 PHE 15 HB2 -0.12 -0.21 -0.40 -0.04 3.15 2.38 1cx1A9 PHE 15 HB3 -0.03 0.07 0.02 -0.04 3.06 3.08 1cx1A9 PHE 15 HD2 -0.21 -0.10 -0.22 -0.04 7.28 6.70 1cx1A9 PHE 15 HE2 -0.31 0.00 -0.10 -0.04 7.38 6.92 1cx1A9 PHE 15 HZ -0.44 -0.00 0.01 -0.04 7.32 6.85 1cx1A9 ALA 16 H -0.01 0.96 -0.76 -0.55 8.40 8.04 1cx1A9 ALA 16 HA 0.05 0.01 -0.15 -0.75 4.34 3.50 1cx1A9 ALA 16 HB3 -0.01 0.06 0.04 -0.04 1.41 1.46 1cx1A9 GLU 17 H -0.10 0.13 -0.04 -0.55 8.60 8.04 1cx1A9 GLU 17 HA -0.27 0.33 0.87 -0.75 4.29 4.47 1cx1A9 GLU 17 HB2 -0.14 -0.04 0.20 -0.04 2.09 2.07 1cx1A9 GLU 17 HB3 -0.27 -0.03 0.11 -0.04 1.99 1.76 1cx1A9 GLU 17 HG2 -0.07 0.03 -0.13 -0.04 2.34 2.12 1cx1A9 GLU 17 HG3 -0.09 -0.06 0.03 -0.04 2.34 2.18 1cx1A9 SER 18 H -0.26 0.09 0.14 -0.55 8.46 7.88 1cx1A9 SER 18 HA -0.65 0.23 0.82 -0.75 4.49 4.14 1cx1A9 SER 18 HB2 -0.21 0.02 0.04 -0.04 3.95 3.75 1cx1A9 SER 18 HB3 -0.31 0.07 0.04 -0.04 3.93 3.69 1cx1A9 LEU 19 H -0.22 0.22 0.05 -0.55 8.37 7.87 1cx1A9 LEU 19 HA -1.59 0.03 0.22 -0.75 4.35 2.25 1cx1A9 LEU 19 HB2 -0.75 -0.00 -0.01 -0.04 1.64 0.84 1cx1A9 LEU 19 HB3 -0.30 0.00 -0.01 -0.04 1.64 1.30 1cx1A9 LEU 19 HG -0.09 -0.02 -0.17 -0.04 1.64 1.31 1cx1A9 LEU 19 HD13 -0.11 -0.02 -0.10 -0.04 0.93 0.66 1cx1A9 LEU 19 HD23 -0.03 0.07 -0.65 -0.04 0.89 0.24 1cx1A9 GLY 20 H -0.23 -0.18 -1.40 -0.55 8.43 6.09 1cx1A9 GLY 20 HA2 -0.43 -0.02 0.20 -0.51 4.01 3.24 1cx1A9 GLY 20 HA3 -0.58 0.07 0.45 -0.51 4.01 3.43 1cx1A9 PRO 21 HA 0.02 0.11 0.56 -0.51 4.44 4.62 1cx1A9 PRO 21 HB2 0.14 0.02 0.05 -0.04 2.28 2.45 1cx1A9 PRO 21 HB3 0.03 -0.02 0.07 -0.04 2.02 2.06 1cx1A9 PRO 21 HG2 0.25 0.05 0.02 -0.04 2.03 2.31 1cx1A9 PRO 21 HG3 0.03 0.01 0.05 -0.04 2.03 2.08 1cx1A9 PRO 21 HD2 0.09 0.14 0.24 -0.04 3.68 4.12 1cx1A9 PRO 21 HD3 -0.44 0.06 0.18 -0.04 3.65 3.41 1cx1A9 TRP 22 H 0.45 0.10 -0.12 -0.55 7.97 7.86 1cx1A9 TRP 22 HA 0.18 -0.02 0.41 -0.75 4.62 4.44 1cx1A9 TRP 22 HB2 0.18 0.16 0.08 -0.04 3.23 3.61 1cx1A9 TRP 22 HB3 0.09 -0.02 0.29 -0.04 3.23 3.54 1cx1A9 TRP 22 HD1 -0.23 -0.14 0.09 -0.04 7.22 6.90 1cx1A9 TRP 22 HE1 -0.94 -0.01 0.06 -0.04 10.20 9.27 1cx1A9 TRP 22 HE3 -0.13 0.00 -0.01 -0.04 7.59 7.41 1cx1A9 TRP 22 HZ2 -0.19 0.00 -0.04 -0.04 7.44 7.17 1cx1A9 TRP 22 HZ3 -0.56 -0.06 -0.16 -0.04 7.13 6.31 1cx1A9 TRP 22 HH2 -0.05 -0.04 -0.14 -0.04 7.19 6.92 1cx1A9 SER 23 H 0.24 0.34 0.34 -0.55 8.46 8.83 1cx1A9 SER 23 HA -0.07 0.24 0.87 -0.75 4.49 4.78 1cx1A9 SER 23 HB2 -0.03 -0.04 -0.00 -0.04 3.95 3.83 1cx1A9 SER 23 HB3 -0.32 -0.02 0.01 -0.04 3.93 3.55 1cx1A9 LEU 24 H -0.69 0.26 0.19 -0.55 8.37 7.58 1cx1A9 LEU 24 HA -0.32 0.20 0.66 -0.75 4.35 4.13 1cx1A9 LEU 24 HB2 0.00 -0.00 0.15 -0.04 1.64 1.75 1cx1A9 LEU 24 HB3 0.01 0.15 -0.12 -0.04 1.64 1.63 1cx1A9 LEU 24 HG -0.01 0.00 -0.14 -0.04 1.64 1.45 1cx1A9 LEU 24 HD13 -0.13 -0.02 -0.11 -0.04 0.93 0.63 1cx1A9 LEU 24 HD23 -0.01 -0.01 -0.29 -0.04 0.89 0.54 1cx1A9 TYR 25 H 0.14 0.42 0.31 -0.55 8.29 8.61 1cx1A9 TYR 25 HA 0.05 0.05 0.28 -0.75 4.56 4.18 1cx1A9 TYR 25 HB2 0.05 -0.09 0.09 -0.04 3.06 3.08 1cx1A9 TYR 25 HB3 0.05 0.13 0.42 -0.04 2.98 3.53 1cx1A9 TYR 25 HD2 0.06 -0.01 -0.15 -0.04 7.15 7.01 1cx1A9 TYR 25 HE2 0.05 0.02 -0.21 -0.04 6.85 6.66 1cx1A9 GLY 26 H 0.18 0.19 0.06 -0.55 8.43 8.31 1cx1A9 GLY 26 HA2 0.07 -0.01 0.32 -0.51 4.01 3.87 1cx1A9 GLY 26 HA3 0.11 -0.02 -0.06 -0.51 4.01 3.54 1cx1A9 THR 27 H 0.11 -0.04 -0.75 -0.55 8.28 7.05 1cx1A9 THR 27 HA 0.02 0.28 0.91 -0.75 4.39 4.85 1cx1A9 THR 27 HB 0.01 0.00 0.02 -0.04 4.32 4.32 1cx1A9 THR 27 HG23 0.08 0.02 -0.04 -0.04 1.22 1.24 1cx1A9 SER 28 H 0.03 0.11 0.11 -0.55 8.46 8.15 1cx1A9 SER 28 HA 0.02 0.13 0.73 -0.75 4.49 4.61 1cx1A9 SER 28 HB2 0.00 0.09 0.03 -0.04 3.95 4.03 1cx1A9 SER 28 HB3 0.01 0.10 0.14 -0.04 3.93 4.14 1cx1A9 GLU 29 H 0.01 0.10 0.13 -0.55 8.60 8.30 1cx1A9 GLU 29 HA 0.02 0.01 0.32 -0.75 4.29 3.88 1cx1A9 GLU 29 HB2 -0.01 -0.08 0.19 -0.04 2.09 2.15 1cx1A9 GLU 29 HB3 -0.04 0.10 0.08 -0.04 1.99 2.09 1cx1A9 GLU 29 HG2 0.00 -0.03 0.07 -0.04 2.34 2.34 1cx1A9 GLU 29 HG3 0.01 0.04 0.05 -0.04 2.34 2.40 1cx1A9 PRO 30 HA 0.00 0.18 0.44 -0.51 4.44 4.55 1cx1A9 PRO 30 HB2 0.01 -0.03 -0.07 -0.04 2.28 2.16 1cx1A9 PRO 30 HB3 0.07 0.01 -0.04 -0.04 2.02 2.01 1cx1A9 PRO 30 HG2 0.04 -0.00 -0.01 -0.04 2.03 2.01 1cx1A9 PRO 30 HG3 0.07 -0.00 0.03 -0.04 2.03 2.08 1cx1A9 PRO 30 HD2 0.02 0.02 0.11 -0.04 3.68 3.79 1cx1A9 PRO 30 HD3 0.04 0.11 -0.06 -0.04 3.65 3.71 1cx1A9 VAL 31 H -0.06 0.25 0.28 -0.55 8.24 8.16 1cx1A9 VAL 31 HA -0.55 0.15 0.90 -0.75 4.13 3.88 1cx1A9 VAL 31 HB -0.11 -0.05 0.17 -0.04 2.12 2.09 1cx1A9 VAL 31 HG13 -0.20 -0.01 -0.17 -0.04 0.97 0.55 1cx1A9 VAL 31 HG23 -0.16 0.07 -0.14 -0.04 0.95 0.68 1cx1A9 PHE 32 H -1.58 0.16 0.05 -0.55 8.34 6.41 1cx1A9 PHE 32 HA 0.00 0.17 0.50 -0.75 4.62 4.53 1cx1A9 PHE 32 HB2 -0.02 0.36 0.03 -0.04 3.15 3.48 1cx1A9 PHE 32 HB3 -0.03 -0.07 -0.29 -0.04 3.06 2.62 1cx1A9 PHE 32 HD2 -0.05 -0.05 0.07 -0.04 7.28 7.22 1cx1A9 PHE 32 HE2 -0.04 -0.09 0.04 -0.04 7.38 7.24 1cx1A9 PHE 32 HZ -0.03 -0.07 0.02 -0.04 7.32 7.20 1cx1A9 ALA 33 H 0.04 0.43 0.34 -0.55 8.40 8.66 1cx1A9 ALA 33 HA 0.03 0.03 0.33 -0.75 4.34 3.97 1cx1A9 ALA 33 HB3 0.01 -0.03 0.18 -0.04 1.41 1.54 1cx1A9 ASP 34 H 0.03 0.04 0.12 -0.55 8.40 8.04 1cx1A9 ASP 34 HA 0.03 0.04 0.38 -0.75 4.63 4.32 1cx1A9 ASP 34 HB2 0.01 0.05 0.05 -0.04 2.71 2.77 1cx1A9 ASP 34 HB3 0.01 0.01 0.14 -0.04 2.70 2.82 1cx1A9 GLY 35 H 0.02 -0.00 -0.10 -0.55 8.43 7.81 1cx1A9 GLY 35 HA2 0.03 0.35 0.75 -0.51 4.01 4.63 1cx1A9 GLY 35 HA3 0.01 -0.08 0.30 -0.51 4.01 3.73 1cx1A9 ARG 36 H 0.06 0.23 -0.25 -0.55 8.46 7.95 1cx1A9 ARG 36 HA 0.05 0.14 0.52 -0.75 4.34 4.30 1cx1A9 ARG 36 HB2 0.01 0.04 -0.25 -0.04 1.90 1.67 1cx1A9 ARG 36 HB3 0.00 0.04 -0.17 -0.04 1.80 1.64 1cx1A9 ARG 36 HG2 0.01 -0.13 -0.34 -0.04 1.67 1.17 1cx1A9 ARG 36 HG3 0.03 -0.05 -0.06 -0.04 1.67 1.55 1cx1A9 ARG 36 HD2 0.01 -0.02 -0.09 -0.04 3.22 3.07 1cx1A9 ARG 36 HD3 -0.00 0.06 -0.15 -0.04 3.22 3.08 1cx1A9 MET 37 H 0.09 0.44 0.11 -0.55 8.47 8.56 1cx1A9 MET 37 HA 0.07 0.37 0.99 -0.75 4.52 5.20 1cx1A9 MET 37 HB2 0.20 0.04 -0.21 -0.04 2.15 2.14 1cx1A9 MET 37 HB3 0.22 0.11 0.11 -0.04 2.03 2.44 1cx1A9 MET 37 HG2 0.06 -0.09 -0.13 -0.04 2.63 2.42 1cx1A9 MET 37 HG3 0.11 -0.04 -0.23 -0.04 2.56 2.36 1cx1A9 MET 37 HE3 0.25 -0.01 -0.10 -0.04 2.10 2.21 1cx1A9 CYS 38 H 0.02 0.31 0.30 -0.55 8.50 8.58 1cx1A9 CYS 38 HA 0.07 0.42 1.21 -0.75 4.58 5.53 1cx1A9 CYS 38 HB2 0.02 -0.04 -0.11 -0.04 2.97 2.81 1cx1A9 CYS 38 HB3 0.03 -0.03 -0.11 -0.04 2.97 2.82 1cx1A9 VAL 39 H 0.11 0.42 0.31 -0.55 8.24 8.53 1cx1A9 VAL 39 HA 0.04 0.24 0.96 -0.75 4.13 4.61 1cx1A9 VAL 39 HB 0.06 -0.08 -0.01 -0.04 2.12 2.05 1cx1A9 VAL 39 HG13 0.09 0.06 -0.06 -0.04 0.97 1.02 1cx1A9 VAL 39 HG23 0.17 0.02 0.14 -0.04 0.95 1.23 1cx1A9 ASP 40 H 0.02 0.18 0.13 -0.55 8.40 8.18 1cx1A9 ASP 40 HA 0.02 0.08 0.55 -0.75 4.63 4.53 1cx1A9 ASP 40 HB2 0.00 -0.02 0.21 -0.04 2.71 2.86 1cx1A9 ASP 40 HB3 0.01 0.04 0.06 -0.04 2.70 2.77 1cx1A9 LEU 41 H -0.01 0.39 0.34 -0.55 8.37 8.54 1cx1A9 LEU 41 HA -0.05 0.11 0.92 -0.75 4.35 4.58 1cx1A9 LEU 41 HB2 -0.17 0.15 0.15 -0.04 1.64 1.72 1cx1A9 LEU 41 HB3 -0.19 -0.20 0.16 -0.04 1.64 1.37 1cx1A9 LEU 41 HG -0.15 -0.06 -0.04 -0.04 1.64 1.35 1cx1A9 LEU 41 HD13 -0.07 -0.04 0.05 -0.04 0.93 0.83 1cx1A9 LEU 41 HD23 -0.01 0.13 -0.49 -0.04 0.89 0.48 1cx1A9 PRO 42 HA 0.02 0.15 0.35 -0.51 4.44 4.45 1cx1A9 PRO 42 HB2 -0.00 0.02 -0.08 -0.04 2.28 2.18 1cx1A9 PRO 42 HB3 0.01 0.00 -0.01 -0.04 2.02 1.98 1cx1A9 PRO 42 HG2 -0.01 0.00 0.07 -0.04 2.03 2.05 1cx1A9 PRO 42 HG3 -0.00 0.02 -0.02 -0.04 2.03 1.99 1cx1A9 PRO 42 HD2 -0.02 0.15 0.11 -0.04 3.68 3.87 1cx1A9 PRO 42 HD3 -0.01 0.02 -0.56 -0.04 3.65 3.06 1cx1A9 GLY 43 H -0.02 0.22 0.01 -0.55 8.43 8.09 1cx1A9 GLY 43 HA2 -0.04 0.08 -0.14 -0.51 4.01 3.40 1cx1A9 GLY 43 HA3 -0.02 0.36 0.54 -0.51 4.01 4.38 1cx1A9 GLY 44 H -0.03 0.21 0.14 -0.55 8.43 8.20 1cx1A9 GLY 44 HA2 -0.03 0.02 0.34 -0.51 4.01 3.83 1cx1A9 GLY 44 HA3 -0.03 0.13 0.39 -0.51 4.01 4.00 1cx1A9 GLN 45 H -0.07 -0.08 -1.20 -0.55 8.47 6.56 1cx1A9 GLN 45 HA -0.10 0.24 0.67 -0.75 4.36 4.41 1cx1A9 GLN 45 HB2 -0.15 -0.13 -0.11 -0.04 2.15 1.72 1cx1A9 GLN 45 HB3 -0.13 0.16 0.00 -0.04 2.02 2.01 1cx1A9 GLN 45 HG2 -0.06 0.15 -0.22 -0.04 2.40 2.23 1cx1A9 GLN 45 HG3 -0.07 -0.17 -0.23 -0.04 2.39 1.88 1cx1A9 GLN 45 HE21 -0.04 -0.04 0.06 -0.04 6.97 6.92 1cx1A9 GLN 45 HE22 -0.03 0.03 0.11 -0.04 7.69 7.76 1cx1A9 GLY 46 H -0.11 0.36 -0.26 -0.55 8.43 7.87 1cx1A9 GLY 46 HA2 -0.15 -0.01 0.29 -0.51 4.01 3.63 1cx1A9 GLY 46 HA3 -0.12 0.03 0.33 -0.51 4.01 3.74 1cx1A9 ASN 47 H -0.38 1.29 -0.23 -0.55 8.53 8.67 1cx1A9 ASN 47 HA -1.18 0.10 0.53 -0.75 4.76 3.46 1cx1A9 ASN 47 HB2 -2.48 -0.08 -0.05 -0.04 2.88 0.23 1cx1A9 ASN 47 HB3 -1.40 0.11 -0.07 -0.04 2.79 1.39 1cx1A9 ASN 47 HD21 -0.11 0.04 -0.17 -0.04 7.03 6.75 1cx1A9 ASN 47 HD22 -0.12 0.02 -0.12 -0.04 7.74 7.48 1cx1A9 PRO 48 HA -0.29 0.65 0.50 -0.51 4.44 4.79 1cx1A9 PRO 48 HB2 -0.29 -0.04 -0.05 -0.04 2.28 1.87 1cx1A9 PRO 48 HB3 -0.18 0.10 0.13 -0.04 2.02 2.03 1cx1A9 PRO 48 HG2 -0.18 -0.00 0.04 -0.04 2.03 1.85 1cx1A9 PRO 48 HG3 -0.20 0.04 0.11 -0.04 2.03 1.94 1cx1A9 PRO 48 HD2 -0.65 0.08 0.10 -0.04 3.68 3.18 1cx1A9 PRO 48 HD3 -0.40 0.07 0.01 -0.04 3.65 3.29 1cx1A9 TRP 49 H -1.61 -0.02 -1.12 -0.55 7.97 4.67 1cx1A9 TRP 49 HA -0.11 0.20 0.78 -0.75 4.62 4.74 1cx1A9 TRP 49 HB2 -0.06 -0.01 0.12 -0.04 3.23 3.23 1cx1A9 TRP 49 HB3 -0.40 0.03 -0.06 -0.04 3.23 2.75 1cx1A9 TRP 49 HD1 -0.20 0.03 -0.13 -0.04 7.22 6.88 1cx1A9 TRP 49 HE1 -0.08 0.01 -0.04 -0.04 10.20 10.05 1cx1A9 TRP 49 HE3 -0.05 0.03 -0.45 -0.04 7.59 7.07 1cx1A9 TRP 49 HZ2 -0.04 0.01 0.00 -0.04 7.44 7.37 1cx1A9 TRP 49 HZ3 -0.04 -0.01 -0.09 -0.04 7.13 6.94 1cx1A9 TRP 49 HH2 -0.04 -0.01 -0.04 -0.04 7.19 7.07 1cx1A9 ASP 50 H -0.17 0.45 -0.27 -0.55 8.40 7.86 1cx1A9 ASP 50 HA 0.18 0.15 0.84 -0.75 4.63 5.05 1cx1A9 ASP 50 HB2 -0.26 0.17 0.11 -0.04 2.71 2.69 1cx1A9 ASP 50 HB3 -0.02 0.03 0.26 -0.04 2.70 2.93 1cx1A9 ALA 51 H 0.14 0.17 -0.36 -0.55 8.40 7.80 1cx1A9 ALA 51 HA 0.12 0.14 0.48 -0.75 4.34 4.32 1cx1A9 ALA 51 HB3 -0.01 0.02 -0.21 -0.04 1.41 1.17 1cx1A9 GLY 52 H 0.18 0.40 0.29 -0.55 8.43 8.75 1cx1A9 GLY 52 HA2 0.06 -0.05 0.32 -0.51 4.01 3.83 1cx1A9 GLY 52 HA3 0.10 0.48 0.75 -0.51 4.01 4.83 1cx1A9 LEU 53 H 0.06 0.31 0.35 -0.55 8.37 8.53 1cx1A9 LEU 53 HA 0.01 0.15 0.78 -0.75 4.35 4.54 1cx1A9 LEU 53 HB2 0.16 0.28 0.31 -0.04 1.64 2.35 1cx1A9 LEU 53 HB3 0.07 -0.10 -0.11 -0.04 1.64 1.46 1cx1A9 LEU 53 HG 0.16 0.10 -0.18 -0.04 1.64 1.67 1cx1A9 LEU 53 HD13 -0.04 0.00 -0.02 -0.04 0.93 0.83 1cx1A9 LEU 53 HD23 -0.94 -0.08 -0.01 -0.04 0.89 -0.18 1cx1A9 VAL 54 H 0.06 0.35 0.27 -0.55 8.24 8.38 1cx1A9 VAL 54 HA -0.13 0.33 0.88 -0.75 4.13 4.46 1cx1A9 VAL 54 HB -0.02 -0.05 -0.08 -0.04 2.12 1.93 1cx1A9 VAL 54 HG13 -0.08 -0.04 0.10 -0.04 0.97 0.91 1cx1A9 VAL 54 HG23 0.12 0.03 -0.46 -0.04 0.95 0.60 1cx1A9 TYR 55 H -0.26 0.40 0.30 -0.55 8.29 8.17 1cx1A9 TYR 55 HA -0.56 0.00 0.45 -0.75 4.56 3.70 1cx1A9 TYR 55 HB2 -2.52 0.16 0.04 -0.04 3.06 0.70 1cx1A9 TYR 55 HB3 -1.80 -0.04 -0.12 -0.04 2.98 0.97 1cx1A9 TYR 55 HD2 -0.67 -0.04 -0.02 -0.04 7.15 6.37 1cx1A9 TYR 55 HE2 -0.04 -0.04 0.01 -0.04 6.85 6.74 1cx1A9 ASN 56 H -1.25 0.12 0.07 -0.55 8.53 6.92 1cx1A9 ASN 56 HA -0.40 0.24 0.56 -0.75 4.76 4.41 1cx1A9 ASN 56 HB2 -0.41 -0.00 0.04 -0.04 2.88 2.46 1cx1A9 ASN 56 HB3 -0.30 -0.19 0.13 -0.04 2.79 2.39 1cx1A9 ASN 56 HD21 -0.29 -0.16 -0.85 -0.04 7.03 5.69 1cx1A9 ASN 56 HD22 -0.16 0.03 -0.12 -0.04 7.74 7.46 1cx1A9 GLY 57 H -0.25 0.11 0.08 -0.55 8.43 7.83 1cx1A9 GLY 57 HA2 -0.10 -0.03 0.38 -0.51 4.01 3.75 1cx1A9 GLY 57 HA3 -0.17 0.15 0.57 -0.51 4.01 4.04 1cx1A9 VAL 58 H -0.07 -0.06 0.06 -0.55 8.24 7.63 1cx1A9 VAL 58 HA 0.07 0.22 0.71 -0.75 4.13 4.38 1cx1A9 VAL 58 HB -0.05 -0.15 0.19 -0.04 2.12 2.06 1cx1A9 VAL 58 HG13 0.05 0.02 -0.05 -0.04 0.97 0.95 1cx1A9 VAL 58 HG23 -0.03 0.05 -0.56 -0.04 0.95 0.38 1cx1A9 PRO 59 HA 0.05 0.22 0.50 -0.51 4.44 4.70 1cx1A9 PRO 59 HB2 0.14 0.03 -0.03 -0.04 2.28 2.38 1cx1A9 PRO 59 HB3 0.07 -0.04 0.08 -0.04 2.02 2.09 1cx1A9 PRO 59 HG2 0.24 0.02 0.02 -0.04 2.03 2.26 1cx1A9 PRO 59 HG3 0.11 0.03 0.03 -0.04 2.03 2.16 1cx1A9 PRO 59 HD2 0.19 0.14 0.13 -0.04 3.68 4.11 1cx1A9 PRO 59 HD3 0.09 0.09 -0.09 -0.04 3.65 3.69 1cx1A9 VAL 60 H 0.11 0.60 0.30 -0.55 8.24 8.70 1cx1A9 VAL 60 HA 0.16 0.09 0.62 -0.75 4.13 4.25 1cx1A9 VAL 60 HB 0.30 -0.03 -0.06 -0.04 2.12 2.29 1cx1A9 VAL 60 HG13 0.06 -0.05 -0.06 -0.04 0.97 0.87 1cx1A9 VAL 60 HG23 -0.19 0.07 -0.44 -0.04 0.95 0.35 1cx1A9 GLY 61 H 0.26 0.19 0.02 -0.55 8.43 8.36 1cx1A9 GLY 61 HA2 0.03 0.08 0.82 -0.51 4.01 4.43 1cx1A9 GLY 61 HA3 0.07 0.04 0.27 -0.51 4.01 3.88 1cx1A9 GLU 62 H -0.01 0.21 -0.15 -0.55 8.60 8.10 1cx1A9 GLU 62 HA 0.04 -0.11 -0.28 -0.75 4.29 3.19 1cx1A9 GLU 62 HB2 -0.01 -0.02 -0.16 -0.04 2.09 1.86 1cx1A9 GLU 62 HB3 0.00 0.13 -0.09 -0.04 1.99 2.00 1cx1A9 GLU 62 HG2 -0.05 0.16 -0.13 -0.04 2.34 2.27 1cx1A9 GLU 62 HG3 -0.06 -0.02 -0.85 -0.04 2.34 1.38 1cx1A9 GLY 63 H 0.03 0.40 0.08 -0.55 8.43 8.39 1cx1A9 GLY 63 HA2 0.01 -0.01 0.37 -0.51 4.01 3.86 1cx1A9 GLY 63 HA3 0.01 0.13 0.66 -0.51 4.01 4.29 1cx1A9 GLU 64 H 0.04 0.32 -0.31 -0.55 8.60 8.11 1cx1A9 GLU 64 HA -0.03 0.16 0.93 -0.75 4.29 4.59 1cx1A9 GLU 64 HB2 0.07 0.21 0.11 -0.04 2.09 2.43 1cx1A9 GLU 64 HB3 -0.07 -0.03 0.01 -0.04 1.99 1.87 1cx1A9 GLU 64 HG2 -0.06 -0.09 0.08 -0.04 2.34 2.23 1cx1A9 GLU 64 HG3 -0.01 0.07 -0.19 -0.04 2.34 2.16 1cx1A9 SER 65 H -0.12 0.16 0.15 -0.55 8.46 8.10 1cx1A9 SER 65 HA -0.18 0.11 1.12 -0.75 4.49 4.79 1cx1A9 SER 65 HB2 -0.10 -0.02 -0.11 -0.04 3.95 3.68 1cx1A9 SER 65 HB3 -0.13 0.16 0.05 -0.04 3.93 3.96 1cx1A9 TYR 66 H -0.67 0.14 0.23 -0.55 8.29 7.44 1cx1A9 TYR 66 HA -0.11 0.12 1.01 -0.75 4.56 4.82 1cx1A9 TYR 66 HB2 -0.78 -0.09 0.08 -0.04 3.06 2.22 1cx1A9 TYR 66 HB3 0.08 0.13 0.20 -0.04 2.98 3.35 1cx1A9 TYR 66 HD2 -0.11 -0.02 -0.16 -0.04 7.15 6.82 1cx1A9 TYR 66 HE2 0.04 -0.15 -0.03 -0.04 6.85 6.67 1cx1A9 VAL 67 H 0.22 0.67 0.49 -0.55 8.24 9.07 1cx1A9 VAL 67 HA 0.26 0.24 0.78 -0.75 4.13 4.66 1cx1A9 VAL 67 HB 0.10 -0.08 -0.16 -0.04 2.12 1.93 1cx1A9 VAL 67 HG13 0.11 -0.03 -0.15 -0.04 0.97 0.85 1cx1A9 VAL 67 HG23 0.01 0.07 -0.41 -0.04 0.95 0.58 1cx1A9 LEU 68 H 0.23 0.20 0.14 -0.55 8.37 8.40 1cx1A9 LEU 68 HA 0.23 0.16 0.87 -0.75 4.35 4.85 1cx1A9 LEU 68 HB2 0.41 0.03 -0.17 -0.04 1.64 1.87 1cx1A9 LEU 68 HB3 0.34 -0.07 0.17 -0.04 1.64 2.04 1cx1A9 LEU 68 HG 0.34 -0.00 -0.02 -0.04 1.64 1.91 1cx1A9 LEU 68 HD13 0.34 0.06 0.11 -0.04 0.93 1.39 1cx1A9 LEU 68 HD23 0.35 -0.02 -0.06 -0.04 0.89 1.11 1cx1A9 SER 69 H 0.10 0.31 0.09 -0.55 8.46 8.41 1cx1A9 SER 69 HA -0.17 0.55 0.91 -0.75 4.49 5.03 1cx1A9 SER 69 HB2 -0.06 0.04 -0.09 -0.04 3.95 3.80 1cx1A9 SER 69 HB3 -0.01 -0.05 0.09 -0.04 3.93 3.92 1cx1A9 PHE 70 H -0.26 0.45 0.07 -0.55 8.34 8.04 1cx1A9 PHE 70 HA -0.11 0.01 0.71 -0.75 4.62 4.48 1cx1A9 PHE 70 HB2 0.10 0.11 0.07 -0.04 3.15 3.40 1cx1A9 PHE 70 HB3 0.13 -0.01 0.02 -0.04 3.06 3.16 1cx1A9 PHE 70 HD2 -0.06 0.07 -0.27 -0.04 7.28 6.97 1cx1A9 PHE 70 HE2 -0.39 0.01 -0.10 -0.04 7.38 6.86 1cx1A9 PHE 70 HZ 0.04 0.01 -0.10 -0.04 7.32 7.24 1cx1A9 THR 71 H -0.03 0.23 0.09 -0.55 8.28 8.02 1cx1A9 THR 71 HA -0.19 0.39 0.74 -0.75 4.39 4.58 1cx1A9 THR 71 HB -0.10 0.05 -0.00 -0.04 4.32 4.22 1cx1A9 THR 71 HG23 -0.11 0.03 -0.25 -0.04 1.22 0.85 1cx1A9 ALA 72 H -0.12 0.37 0.22 -0.55 8.40 8.32 1cx1A9 ALA 72 HA -0.36 0.22 0.28 -0.75 4.34 3.73 1cx1A9 ALA 72 HB3 -0.27 -0.00 -0.20 -0.04 1.41 0.90 1cx1A9 SER 73 H -0.21 0.26 0.15 -0.55 8.46 8.12 1cx1A9 SER 73 HA -0.02 0.28 0.97 -0.75 4.49 4.96 1cx1A9 SER 73 HB2 -0.01 0.01 -0.15 -0.04 3.95 3.75 1cx1A9 SER 73 HB3 -0.04 -0.05 -0.35 -0.04 3.93 3.45 1cx1A9 ALA 74 H 0.04 0.15 -0.14 -0.55 8.40 7.91 1cx1A9 ALA 74 HA 0.39 0.30 0.76 -0.75 4.34 5.03 1cx1A9 ALA 74 HB3 -0.30 0.02 -0.11 -0.04 1.41 0.97 1cx1A9 THR 75 H 0.33 0.18 0.25 -0.55 8.28 8.49 1cx1A9 THR 75 HA 0.00 0.03 0.95 -0.75 4.39 4.62 1cx1A9 THR 75 HB 0.06 -0.03 0.02 -0.04 4.32 4.33 1cx1A9 THR 75 HG23 0.02 0.02 -0.10 -0.04 1.22 1.13 1cx1A9 PRO 76 HA -0.01 0.03 0.32 -0.51 4.44 4.27 1cx1A9 PRO 76 HB2 -0.04 0.15 0.20 -0.04 2.28 2.55 1cx1A9 PRO 76 HB3 -0.01 -0.02 0.19 -0.04 2.02 2.14 1cx1A9 PRO 76 HG2 0.02 0.09 0.12 -0.04 2.03 2.22 1cx1A9 PRO 76 HG3 0.02 -0.02 0.11 -0.04 2.03 2.09 1cx1A9 PRO 76 HD2 0.09 0.20 0.17 -0.04 3.68 4.09 1cx1A9 PRO 76 HD3 0.08 0.11 0.41 -0.04 3.65 4.21 1cx1A9 ASP 77 H -0.07 0.09 0.16 -0.55 8.40 8.03 1cx1A9 ASP 77 HA -0.18 0.34 0.93 -0.75 4.63 4.97 1cx1A9 ASP 77 HB2 -0.06 -0.02 0.04 -0.04 2.71 2.63 1cx1A9 ASP 77 HB3 -0.06 0.07 0.17 -0.04 2.70 2.84 1cx1A9 MET 78 H -0.17 0.41 0.26 -0.55 8.47 8.43 1cx1A9 MET 78 HA -0.07 -0.00 0.37 -0.75 4.52 4.07 1cx1A9 MET 78 HB2 -0.04 0.06 -0.04 -0.04 2.15 2.09 1cx1A9 MET 78 HB3 -0.09 0.14 0.25 -0.04 2.03 2.30 1cx1A9 MET 78 HG2 -0.74 -0.12 -0.41 -0.04 2.63 1.32 1cx1A9 MET 78 HG3 -0.36 0.02 -0.34 -0.04 2.56 1.83 1cx1A9 MET 78 HE3 0.03 0.02 -0.03 -0.04 2.10 2.08 1cx1A9 PRO 79 HA 0.03 0.02 0.42 -0.51 4.44 4.40 1cx1A9 PRO 79 HB2 0.02 0.16 0.00 -0.04 2.28 2.42 1cx1A9 PRO 79 HB3 0.01 -0.05 0.03 -0.04 2.02 1.97 1cx1A9 PRO 79 HG2 0.01 0.05 0.12 -0.04 2.03 2.18 1cx1A9 PRO 79 HG3 0.00 -0.00 0.08 -0.04 2.03 2.07 1cx1A9 PRO 79 HD2 -0.01 0.14 0.21 -0.04 3.68 3.98 1cx1A9 PRO 79 HD3 -0.01 0.08 0.17 -0.04 3.65 3.84 1cx1A9 VAL 80 H 0.08 0.69 0.33 -0.55 8.24 8.79 1cx1A9 VAL 80 HA 0.09 0.18 0.83 -0.75 4.13 4.47 1cx1A9 VAL 80 HB 0.06 0.00 0.12 -0.04 2.12 2.26 1cx1A9 VAL 80 HG13 0.27 0.08 0.00 -0.04 0.97 1.28 1cx1A9 VAL 80 HG23 -0.01 -0.00 -0.16 -0.04 0.95 0.74 1cx1A9 ARG 81 H -0.02 0.32 0.25 -0.55 8.46 8.46 1cx1A9 ARG 81 HA -0.01 0.06 0.95 -0.75 4.34 4.59 1cx1A9 ARG 81 HB2 0.02 0.04 0.14 -0.04 1.90 2.06 1cx1A9 ARG 81 HB3 0.01 0.01 -0.06 -0.04 1.80 1.72 1cx1A9 ARG 81 HG2 0.03 0.17 0.23 -0.04 1.67 2.06 1cx1A9 ARG 81 HG3 0.11 -0.05 -0.14 -0.04 1.67 1.55 1cx1A9 ARG 81 HD2 -0.00 0.06 -0.02 -0.04 3.22 3.22 1cx1A9 ARG 81 HD3 0.01 -0.02 -0.05 -0.04 3.22 3.12 1cx1A9 VAL 82 H -0.04 0.34 0.18 -0.55 8.24 8.17 1cx1A9 VAL 82 HA -0.10 0.09 0.87 -0.75 4.13 4.24 1cx1A9 VAL 82 HB -0.42 0.04 -0.10 -0.04 2.12 1.60 1cx1A9 VAL 82 HG13 -0.14 -0.02 -0.18 -0.04 0.97 0.59 1cx1A9 VAL 82 HG23 -0.34 0.00 -0.13 -0.04 0.95 0.44 1cx1A9 LEU 83 H -0.10 0.40 0.31 -0.55 8.37 8.42 1cx1A9 LEU 83 HA -0.09 0.37 0.98 -0.75 4.35 4.86 1cx1A9 LEU 83 HB2 -0.01 -0.03 -0.03 -0.04 1.64 1.52 1cx1A9 LEU 83 HB3 0.03 0.05 -0.11 -0.04 1.64 1.57 1cx1A9 LEU 83 HG -0.09 -0.05 0.16 -0.04 1.64 1.63 1cx1A9 LEU 83 HD13 0.01 -0.00 -0.18 -0.04 0.93 0.71 1cx1A9 LEU 83 HD23 0.01 -0.02 -0.11 -0.04 0.89 0.73 1cx1A9 VAL 84 H -0.06 0.22 0.10 -0.55 8.24 7.94 1cx1A9 VAL 84 HA -0.10 0.32 0.82 -0.75 4.13 4.41 1cx1A9 VAL 84 HB 0.00 -0.12 -0.02 -0.04 2.12 1.95 1cx1A9 VAL 84 HG13 0.01 -0.03 0.17 -0.04 0.97 1.08 1cx1A9 VAL 84 HG23 -0.76 0.04 -0.33 -0.04 0.95 -0.14 1cx1A9 GLY 85 H -0.10 0.71 0.38 -0.55 8.43 8.89 1cx1A9 GLY 85 HA2 -0.23 -0.04 0.31 -0.51 4.01 3.54 1cx1A9 GLY 85 HA3 -0.23 -0.02 0.91 -0.51 4.01 4.15 1cx1A9 GLU 86 H -0.48 0.10 0.07 -0.55 8.60 7.75 1cx1A9 GLU 86 HA -0.17 0.42 0.48 -0.75 4.29 4.26 1cx1A9 GLU 86 HB2 -0.01 -0.05 -0.02 -0.04 2.09 1.97 1cx1A9 GLU 86 HB3 -0.22 -0.02 0.01 -0.04 1.99 1.73 1cx1A9 GLU 86 HG2 -0.25 0.03 -0.06 -0.04 2.34 2.03 1cx1A9 GLU 86 HG3 -0.04 -0.07 -0.01 -0.04 2.34 2.18 1cx1A9 GLY 87 H -0.04 0.31 -0.17 -0.55 8.43 7.98 1cx1A9 GLY 87 HA2 -0.04 0.18 0.78 -0.51 4.01 4.42 1cx1A9 GLY 87 HA3 -0.04 -0.02 0.32 -0.51 4.01 3.76 1cx1A9 GLY 88 H 0.03 0.32 -0.35 -0.55 8.43 7.88 1cx1A9 GLY 88 HA2 0.03 0.22 0.74 -0.51 4.01 4.50 1cx1A9 GLY 88 HA3 0.19 -0.10 0.21 -0.51 4.01 3.81 1cx1A9 GLY 89 H -0.23 0.03 0.00 -0.55 8.43 7.69 1cx1A9 GLY 89 HA2 -0.10 0.27 0.70 -0.51 4.01 4.37 1cx1A9 GLY 89 HA3 -0.16 -0.06 0.33 -0.51 4.01 3.61 1cx1A9 ALA 90 H -0.32 0.10 0.09 -0.55 8.40 7.72 1cx1A9 ALA 90 HA -0.11 0.05 0.34 -0.75 4.34 3.87 1cx1A9 ALA 90 HB3 -0.24 0.01 0.08 -0.04 1.41 1.21 1cx1A9 TYR 91 H -1.10 -0.08 -0.46 -0.55 8.29 6.09 1cx1A9 TYR 91 HA 0.21 0.00 0.34 -0.75 4.56 4.36 1cx1A9 TYR 91 HB2 0.07 -0.02 0.03 -0.04 3.06 3.10 1cx1A9 TYR 91 HB3 0.33 0.07 0.07 -0.04 2.98 3.40 1cx1A9 TYR 91 HD2 0.06 0.06 -0.09 -0.04 7.15 7.14 1cx1A9 TYR 91 HE2 0.02 0.01 -0.04 -0.04 6.85 6.80 1cx1A9 ARG 92 H 0.13 0.64 0.56 -0.55 8.46 9.24 1cx1A9 ARG 92 HA 0.02 0.07 0.29 -0.75 4.34 3.97 1cx1A9 ARG 92 HB2 0.04 -0.06 0.17 -0.04 1.90 2.00 1cx1A9 ARG 92 HB3 0.04 0.03 0.17 -0.04 1.80 2.00 1cx1A9 ARG 92 HG2 0.18 -0.09 0.07 -0.04 1.67 1.78 1cx1A9 ARG 92 HG3 0.12 0.11 -0.20 -0.04 1.67 1.65 1cx1A9 ARG 92 HD2 0.05 -0.01 0.06 -0.04 3.22 3.28 1cx1A9 ARG 92 HD3 0.08 -0.03 0.06 -0.04 3.22 3.28 1cx1A9 THR 93 H -0.01 0.08 0.16 -0.55 8.28 7.97 1cx1A9 THR 93 HA -0.23 0.09 0.87 -0.75 4.39 4.37 1cx1A9 THR 93 HB -0.13 0.07 0.04 -0.04 4.32 4.27 1cx1A9 THR 93 HG23 -0.02 0.01 0.00 -0.04 1.22 1.17 1cx1A9 ALA 94 H -0.09 0.10 0.28 -0.55 8.40 8.14 1cx1A9 ALA 94 HA 0.03 0.24 0.91 -0.75 4.34 4.77 1cx1A9 ALA 94 HB3 0.09 0.01 -0.02 -0.04 1.41 1.45 1cx1A9 PHE 95 H -0.06 0.15 0.19 -0.55 8.34 8.07 1cx1A9 PHE 95 HA -0.27 0.18 0.60 -0.75 4.62 4.37 1cx1A9 PHE 95 HB2 -0.66 -0.03 -0.02 -0.04 3.15 2.41 1cx1A9 PHE 95 HB3 -0.25 -0.15 0.26 -0.04 3.06 2.88 1cx1A9 PHE 95 HD2 -0.42 -0.02 -0.07 -0.04 7.28 6.73 1cx1A9 PHE 95 HE2 0.22 0.03 -0.16 -0.04 7.38 7.43 1cx1A9 PHE 95 HZ 0.35 -0.02 -0.27 -0.04 7.32 7.34 1cx1A9 GLU 96 H 0.05 0.20 -0.87 -0.55 8.60 7.43 1cx1A9 GLU 96 HA 0.05 0.13 0.67 -0.75 4.29 4.39 1cx1A9 GLU 96 HB2 0.02 -0.05 -0.02 -0.04 2.09 2.00 1cx1A9 GLU 96 HB3 0.03 0.01 0.12 -0.04 1.99 2.11 1cx1A9 GLU 96 HG2 0.03 0.01 0.01 -0.04 2.34 2.35 1cx1A9 GLU 96 HG3 0.04 0.04 0.00 -0.04 2.34 2.38 1cx1A9 GLN 97 H 0.13 0.48 0.04 -0.55 8.47 8.58 1cx1A9 GLN 97 HA 0.05 0.16 0.78 -0.75 4.36 4.60 1cx1A9 GLN 97 HB2 0.06 -0.08 0.12 -0.04 2.15 2.21 1cx1A9 GLN 97 HB3 0.23 0.01 -0.06 -0.04 2.02 2.16 1cx1A9 GLN 97 HG2 0.19 0.02 -0.09 -0.04 2.40 2.47 1cx1A9 GLN 97 HG3 0.03 0.20 -0.13 -0.04 2.39 2.45 1cx1A9 GLN 97 HE21 -0.06 0.14 -0.03 -0.04 6.97 6.99 1cx1A9 GLN 97 HE22 -0.08 0.03 -0.14 -0.04 7.69 7.46 1cx1A9 GLY 98 H 0.01 0.01 0.19 -0.55 8.43 8.10 1cx1A9 GLY 98 HA2 -0.00 0.03 0.70 -0.51 4.01 4.23 1cx1A9 GLY 98 HA3 0.01 0.05 0.35 -0.51 4.01 3.91 1cx1A9 SER 99 H -0.02 -0.04 0.10 -0.55 8.46 7.95 1cx1A9 SER 99 HA -0.01 0.25 0.89 -0.75 4.49 4.86 1cx1A9 SER 99 HB2 -0.03 -0.07 0.19 -0.04 3.95 4.00 1cx1A9 SER 99 HB3 -0.04 0.03 0.24 -0.04 3.93 4.12 1cx1A9 ALA 100 H -0.00 0.53 -0.27 -0.55 8.40 8.12 1cx1A9 ALA 100 HA -0.07 0.22 0.86 -0.75 4.34 4.60 1cx1A9 ALA 100 HB3 0.12 0.01 -0.11 -0.04 1.41 1.39 1cx1A9 PRO 101 HA 0.04 0.05 0.46 -0.51 4.44 4.49 1cx1A9 PRO 101 HB2 0.03 0.01 -0.04 -0.04 2.28 2.24 1cx1A9 PRO 101 HB3 0.02 0.00 0.00 -0.04 2.02 2.00 1cx1A9 PRO 101 HG2 0.07 0.02 0.13 -0.04 2.03 2.20 1cx1A9 PRO 101 HG3 0.02 0.03 0.05 -0.04 2.03 2.09 1cx1A9 PRO 101 HD2 0.07 0.08 0.22 -0.04 3.68 4.00 1cx1A9 PRO 101 HD3 -0.01 0.34 -0.05 -0.04 3.65 3.89 1cx1A9 LEU 102 H 0.04 0.40 0.28 -0.55 8.37 8.55 1cx1A9 LEU 102 HA 0.09 0.20 0.98 -0.75 4.35 4.87 1cx1A9 LEU 102 HB2 0.18 0.07 0.12 -0.04 1.64 1.97 1cx1A9 LEU 102 HB3 0.16 -0.11 -0.00 -0.04 1.64 1.65 1cx1A9 LEU 102 HG 0.52 -0.05 -0.14 -0.04 1.64 1.92 1cx1A9 LEU 102 HD13 0.18 -0.01 0.07 -0.04 0.93 1.13 1cx1A9 LEU 102 HD23 0.30 0.10 -0.57 -0.04 0.89 0.68 1cx1A9 THR 103 H 0.01 0.27 0.30 -0.55 8.28 8.32 1cx1A9 THR 103 HA -0.04 0.26 1.01 -0.75 4.39 4.87 1cx1A9 THR 103 HB -0.02 0.04 -0.00 -0.04 4.32 4.30 1cx1A9 THR 103 HG23 -0.00 0.03 0.03 -0.04 1.22 1.24 1cx1A9 GLY 104 H -0.02 0.10 0.11 -0.55 8.43 8.08 1cx1A9 GLY 104 HA2 0.00 0.07 0.14 -0.51 4.01 3.71 1cx1A9 GLY 104 HA3 -0.00 -0.04 0.33 -0.51 4.01 3.78 1cx1A9 GLU 105 H -0.02 0.17 -1.45 -0.55 8.60 6.75 1cx1A9 GLU 105 HA -0.02 0.20 0.85 -0.75 4.29 4.56 1cx1A9 GLU 105 HB2 -0.02 -0.06 -0.09 -0.04 2.09 1.88 1cx1A9 GLU 105 HB3 -0.02 -0.03 0.08 -0.04 1.99 1.98 1cx1A9 GLU 105 HG2 -0.03 0.15 -0.29 -0.04 2.34 2.13 1cx1A9 GLU 105 HG3 -0.02 -0.02 -0.04 -0.04 2.34 2.22 1cx1A9 PRO 106 HA -0.06 -0.03 0.26 -0.51 4.44 4.11 1cx1A9 PRO 106 HB2 -0.04 -0.00 0.08 -0.04 2.28 2.27 1cx1A9 PRO 106 HB3 -0.05 0.00 0.02 -0.04 2.02 1.95 1cx1A9 PRO 106 HG2 -0.02 0.00 0.05 -0.04 2.03 2.02 1cx1A9 PRO 106 HG3 -0.03 0.03 0.02 -0.04 2.03 2.01 1cx1A9 PRO 106 HD2 -0.02 0.06 0.20 -0.04 3.68 3.87 1cx1A9 PRO 106 HD3 -0.02 0.37 -0.09 -0.04 3.65 3.87 1cx1A9 ALA 107 H -0.09 0.15 0.24 -0.55 8.40 8.16 1cx1A9 ALA 107 HA -0.08 0.02 0.46 -0.75 4.34 3.98 1cx1A9 ALA 107 HB3 -0.07 0.07 -0.05 -0.04 1.41 1.32 1cx1A9 THR 108 H -0.13 0.11 0.11 -0.55 8.28 7.83 1cx1A9 THR 108 HA -0.32 0.30 0.54 -0.75 4.39 4.15 1cx1A9 THR 108 HB -0.20 0.00 -0.24 -0.04 4.32 3.84 1cx1A9 THR 108 HG23 -0.14 -0.02 -0.31 -0.04 1.22 0.72 1cx1A9 ARG 109 H -0.94 0.59 0.30 -0.55 8.46 7.86 1cx1A9 ARG 109 HA -0.33 0.14 0.91 -0.75 4.34 4.31 1cx1A9 ARG 109 HB2 -2.04 -0.04 0.15 -0.04 1.90 -0.08 1cx1A9 ARG 109 HB3 -0.80 -0.01 0.01 -0.04 1.80 0.97 1cx1A9 ARG 109 HG2 -0.04 0.03 -0.03 -0.04 1.67 1.59 1cx1A9 ARG 109 HG3 -0.23 0.03 -0.14 -0.04 1.67 1.29 1cx1A9 ARG 109 HD2 -1.26 0.18 0.22 -0.04 3.22 2.31 1cx1A9 ARG 109 HD3 -0.24 -0.03 0.01 -0.04 3.22 2.92 1cx1A9 GLU 110 H -0.14 0.17 0.13 -0.55 8.60 8.21 1cx1A9 GLU 110 HA -0.09 0.40 0.94 -0.75 4.29 4.77 1cx1A9 GLU 110 HB2 0.05 -0.01 0.19 -0.04 2.09 2.28 1cx1A9 GLU 110 HB3 0.03 -0.01 -0.03 -0.04 1.99 1.93 1cx1A9 GLU 110 HG2 -0.04 -0.01 -0.10 -0.04 2.34 2.16 1cx1A9 GLU 110 HG3 -0.12 -0.04 -0.45 -0.04 2.34 1.68 1cx1A9 TYR 111 H 0.08 0.45 0.24 -0.55 8.29 8.52 1cx1A9 TYR 111 HA 0.21 0.17 0.96 -0.75 4.56 5.14 1cx1A9 TYR 111 HB2 0.50 -0.02 0.08 -0.04 3.06 3.58 1cx1A9 TYR 111 HB3 0.49 0.02 0.00 -0.04 2.98 3.45 1cx1A9 TYR 111 HD2 0.17 0.11 -0.36 -0.04 7.15 7.04 1cx1A9 TYR 111 HE2 0.19 0.00 -0.09 -0.04 6.85 6.91 1cx1A9 ALA 112 H 0.28 0.21 0.21 -0.55 8.40 8.56 1cx1A9 ALA 112 HA 0.36 0.16 0.87 -0.75 4.34 4.97 1cx1A9 ALA 112 HB3 0.08 -0.04 0.08 -0.04 1.41 1.49 1cx1A9 PHE 113 H -0.39 0.28 0.24 -0.55 8.34 7.92 1cx1A9 PHE 113 HA -0.11 0.19 0.75 -0.75 4.62 4.69 1cx1A9 PHE 113 HB2 -0.19 0.00 0.00 -0.04 3.15 2.93 1cx1A9 PHE 113 HB3 -0.55 0.09 -0.15 -0.04 3.06 2.41 1cx1A9 PHE 113 HD2 -0.25 0.00 -0.36 -0.04 7.28 6.64 1cx1A9 PHE 113 HE2 0.21 0.04 -0.17 -0.04 7.38 7.42 1cx1A9 PHE 113 HZ 0.03 0.06 -0.10 -0.04 7.32 7.27 1cx1A9 THR 114 H 0.12 0.18 0.10 -0.55 8.28 8.13 1cx1A9 THR 114 HA -0.04 0.15 0.85 -0.75 4.39 4.59 1cx1A9 THR 114 HB 0.03 0.09 -0.04 -0.04 4.32 4.36 1cx1A9 THR 114 HG23 0.00 -0.00 -0.12 -0.04 1.22 1.06 1cx1A9 SER 115 H 0.02 1.25 0.47 -0.55 8.46 9.66 1cx1A9 SER 115 HA 0.20 -0.07 0.28 -0.75 4.49 4.15 1cx1A9 SER 115 HB2 0.12 -0.13 -0.72 -0.04 3.95 3.19 1cx1A9 SER 115 HB3 0.16 0.03 -0.02 -0.04 3.93 4.06 1cx1A9 ASN 116 H 0.16 0.01 0.17 -0.55 8.53 8.32 1cx1A9 ASN 116 HA 0.05 0.16 0.91 -0.75 4.76 5.12 1cx1A9 ASN 116 HB2 0.06 -0.01 0.01 -0.04 2.88 2.91 1cx1A9 ASN 116 HB3 0.08 0.12 -0.03 -0.04 2.79 2.93 1cx1A9 ASN 116 HD21 0.10 0.03 -0.02 -0.04 7.03 7.10 1cx1A9 ASN 116 HD22 0.18 0.00 -0.05 -0.04 7.74 7.83 1cx1A9 LEU 117 H 0.08 0.01 0.15 -0.55 8.37 8.06 1cx1A9 LEU 117 HA -0.15 0.23 0.89 -0.75 4.35 4.57 1cx1A9 LEU 117 HB2 -0.04 0.02 -0.02 -0.04 1.64 1.56 1cx1A9 LEU 117 HB3 -0.67 0.05 -0.06 -0.04 1.64 0.92 1cx1A9 LEU 117 HG -0.25 -0.12 0.20 -0.04 1.64 1.43 1cx1A9 LEU 117 HD13 0.01 0.01 0.01 -0.04 0.93 0.92 1cx1A9 LEU 117 HD23 -0.87 0.02 -0.06 -0.04 0.89 -0.06 1cx1A9 THR 118 H -0.41 0.16 0.14 -0.55 8.28 7.63 1cx1A9 THR 118 HA -0.22 0.08 0.77 -0.75 4.39 4.26 1cx1A9 THR 118 HB -0.15 0.04 0.01 -0.04 4.32 4.18 1cx1A9 THR 118 HG23 -0.09 0.01 0.01 -0.04 1.22 1.11 1cx1A9 PHE 119 H -0.06 0.46 0.15 -0.55 8.34 8.33 1cx1A9 PHE 119 HA -0.06 0.21 0.87 -0.75 4.62 4.88 1cx1A9 PHE 119 HB2 -0.02 -0.09 0.11 -0.04 3.15 3.11 1cx1A9 PHE 119 HB3 -0.03 0.10 -0.02 -0.04 3.06 3.07 1cx1A9 PHE 119 HD2 -0.00 -0.00 -0.07 -0.04 7.28 7.17 1cx1A9 PHE 119 HE2 0.08 -0.10 -0.08 -0.04 7.38 7.24 1cx1A9 PHE 119 HZ 0.06 0.07 -0.12 -0.04 7.32 7.29 1cx1A9 PRO 120 HA 0.03 0.09 0.54 -0.51 4.44 4.60 1cx1A9 PRO 120 HB2 -0.01 -0.09 0.08 -0.04 2.28 2.22 1cx1A9 PRO 120 HB3 -0.01 0.01 0.10 -0.04 2.02 2.08 1cx1A9 PRO 120 HG2 -0.05 0.14 -0.01 -0.04 2.03 2.07 1cx1A9 PRO 120 HG3 -0.05 0.02 0.04 -0.04 2.03 1.99 1cx1A9 PRO 120 HD2 -0.01 0.15 0.12 -0.04 3.68 3.90 1cx1A9 PRO 120 HD3 -0.06 0.12 -0.15 -0.04 3.65 3.52 1cx1A9 PRO 121 HA -0.01 0.00 0.48 -0.51 4.44 4.41 1cx1A9 PRO 121 HB2 -0.00 0.05 0.05 -0.04 2.28 2.33 1cx1A9 PRO 121 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 1cx1A9 PRO 121 HG2 0.01 0.05 0.04 -0.04 2.03 2.09 1cx1A9 PRO 121 HG3 0.03 0.06 0.08 -0.04 2.03 2.16 1cx1A9 PRO 121 HD2 0.01 0.10 0.23 -0.04 3.68 3.98 1cx1A9 PRO 121 HD3 0.03 0.15 0.24 -0.04 3.65 4.03 1cx1A9 ASP 122 H -0.01 0.09 -0.23 -0.55 8.40 7.70 1cx1A9 ASP 122 HA -0.02 0.18 0.92 -0.75 4.63 4.96 1cx1A9 ASP 122 HB2 -0.01 0.02 0.03 -0.04 2.71 2.71 1cx1A9 ASP 122 HB3 -0.01 -0.02 0.00 -0.04 2.70 2.64 1cx1A9 GLY 123 H -0.02 0.32 0.14 -0.55 8.43 8.32 1cx1A9 GLY 123 HA2 -0.03 0.04 0.29 -0.51 4.01 3.79 1cx1A9 GLY 123 HA3 -0.07 0.15 0.34 -0.51 4.01 3.92 1cx1A9 ASP 124 H 0.01 0.16 0.07 -0.55 8.40 8.09 1cx1A9 ASP 124 HA 0.02 0.12 0.49 -0.75 4.63 4.50 1cx1A9 ASP 124 HB2 0.10 -0.06 0.15 -0.04 2.71 2.87 1cx1A9 ASP 124 HB3 0.09 0.03 0.22 -0.04 2.70 3.01 1cx1A9 ALA 125 H -0.00 0.08 -1.36 -0.55 8.40 6.57 1cx1A9 ALA 125 HA 0.01 0.18 0.31 -0.75 4.34 4.08 1cx1A9 ALA 125 HB3 0.15 0.01 -0.37 -0.04 1.41 1.16 1cx1A9 PRO 126 HA -0.03 0.23 0.36 -0.51 4.44 4.49 1cx1A9 PRO 126 HB2 -0.08 -0.29 0.28 -0.04 2.28 2.15 1cx1A9 PRO 126 HB3 -0.05 0.23 0.14 -0.04 2.02 2.30 1cx1A9 PRO 126 HG2 -0.10 0.03 0.06 -0.04 2.03 1.99 1cx1A9 PRO 126 HG3 -0.06 0.05 0.13 -0.04 2.03 2.10 1cx1A9 PRO 126 HD2 -0.05 0.15 0.10 -0.04 3.68 3.85 1cx1A9 PRO 126 HD3 -0.03 0.22 0.12 -0.04 3.65 3.91 1cx1A9 GLY 127 H -0.07 -0.08 0.13 -0.55 8.43 7.86 1cx1A9 GLY 127 HA2 -0.09 0.30 0.37 -0.51 4.01 4.08 1cx1A9 GLY 127 HA3 -0.11 -0.26 0.34 -0.51 4.01 3.47 1cx1A9 GLN 128 H -0.11 0.05 0.20 -0.55 8.47 8.06 1cx1A9 GLN 128 HA -0.15 0.03 0.56 -0.75 4.36 4.04 1cx1A9 GLN 128 HB2 -0.12 0.04 -0.65 -0.04 2.15 1.38 1cx1A9 GLN 128 HB3 -0.12 -0.20 -0.44 -0.04 2.02 1.22 1cx1A9 GLN 128 HG2 -0.10 -0.07 -0.11 -0.04 2.40 2.07 1cx1A9 GLN 128 HG3 -0.08 -0.02 -0.17 -0.04 2.39 2.07 1cx1A9 GLN 128 HE21 -0.03 -0.03 -0.16 -0.04 6.97 6.71 1cx1A9 GLN 128 HE22 -0.05 -0.03 -0.16 -0.04 7.69 7.41 1cx1A9 VAL 129 H -0.16 0.32 0.20 -0.55 8.24 8.05 1cx1A9 VAL 129 HA -0.07 0.22 0.94 -0.75 4.13 4.46 1cx1A9 VAL 129 HB -0.03 -0.03 -0.18 -0.04 2.12 1.84 1cx1A9 VAL 129 HG13 -0.26 0.01 -0.01 -0.04 0.97 0.67 1cx1A9 VAL 129 HG23 0.14 0.01 -0.03 -0.04 0.95 1.03 1cx1A9 ALA 130 H -0.03 0.57 0.26 -0.55 8.40 8.65 1cx1A9 ALA 130 HA -0.10 0.28 1.00 -0.75 4.34 4.77 1cx1A9 ALA 130 HB3 -0.20 -0.02 -0.09 -0.04 1.41 1.06 1cx1A9 PHE 131 H -0.01 0.41 0.24 -0.55 8.34 8.43 1cx1A9 PHE 131 HA -0.20 0.09 0.83 -0.75 4.62 4.59 1cx1A9 PHE 131 HB2 -0.09 -0.18 0.25 -0.04 3.15 3.10 1cx1A9 PHE 131 HB3 -0.27 0.08 0.04 -0.04 3.06 2.87 1cx1A9 PHE 131 HD2 -0.04 -0.05 -0.28 -0.04 7.28 6.87 1cx1A9 PHE 131 HE2 -0.13 0.01 -0.09 -0.04 7.38 7.13 1cx1A9 PHE 131 HZ -0.13 -0.02 -0.07 -0.04 7.32 7.05 1cx1A9 HIS 132 H -0.01 0.30 0.34 -0.55 8.41 8.50 1cx1A9 HIS 132 HA 0.03 0.12 0.89 -0.75 4.63 4.91 1cx1A9 HIS 132 HB2 -0.00 -0.05 0.08 -0.04 3.26 3.26 1cx1A9 HIS 132 HB3 -0.01 0.13 0.02 -0.04 3.20 3.30 1cx1A9 HIS 132 HD2 0.12 0.00 0.01 -0.04 6.97 7.05 1cx1A9 HIS 132 HE1 0.07 -0.03 -0.12 -0.04 7.75 7.63 1cx1A9 LEU 133 H 0.06 0.38 0.20 -0.55 8.37 8.46 1cx1A9 LEU 133 HA -0.11 0.14 0.83 -0.75 4.35 4.44 1cx1A9 LEU 133 HB2 -0.13 0.01 0.08 -0.04 1.64 1.57 1cx1A9 LEU 133 HB3 -0.26 -0.07 0.05 -0.04 1.64 1.32 1cx1A9 LEU 133 HG -0.32 0.23 -0.44 -0.04 1.64 1.07 1cx1A9 LEU 133 HD13 -0.17 0.06 -0.17 -0.04 0.93 0.61 1cx1A9 LEU 133 HD23 -0.88 -0.02 -0.11 -0.04 0.89 -0.16 1cx1A9 GLY 134 H -0.11 0.08 0.03 -0.55 8.43 7.89 1cx1A9 GLY 134 HA2 -0.11 -0.05 0.29 -0.51 4.01 3.63 1cx1A9 GLY 134 HA3 -0.14 0.07 0.18 -0.51 4.01 3.61 1cx1A9 LYS 135 H -0.10 0.14 -0.09 -0.55 8.42 7.81 1cx1A9 LYS 135 HA -0.11 0.20 0.73 -0.75 4.32 4.39 1cx1A9 LYS 135 HB2 -0.02 -0.03 -0.05 -0.04 1.87 1.73 1cx1A9 LYS 135 HB3 -0.04 0.04 -0.01 -0.04 1.79 1.73 1cx1A9 LYS 135 HG2 -0.09 0.45 -0.44 -0.04 1.46 1.35 1cx1A9 LYS 135 HG3 -0.10 -0.29 -0.92 -0.04 1.46 0.11 1cx1A9 LYS 135 HD2 -0.02 0.02 -0.11 -0.04 1.69 1.55 1cx1A9 LYS 135 HD3 0.06 -0.02 -0.17 -0.04 1.68 1.50 1cx1A9 LYS 135 HE2 0.03 -0.02 -0.10 -0.04 2.99 2.86 1cx1A9 LYS 135 HE3 -0.03 0.00 -0.05 -0.04 2.99 2.87 1cx1A9 ALA 136 H -0.08 0.30 -0.01 -0.55 8.40 8.06 1cx1A9 ALA 136 HA -0.04 -0.42 0.44 -0.75 4.34 3.56 1cx1A9 ALA 136 HB3 -0.04 0.04 0.04 -0.04 1.41 1.41 1cx1A9 GLY 137 H -0.02 -0.18 -1.16 -0.55 8.43 6.52 1cx1A9 GLY 137 HA2 0.02 0.22 0.94 -0.51 4.01 4.68 1cx1A9 GLY 137 HA3 0.02 -0.10 0.27 -0.51 4.01 3.70 1cx1A9 ALA 138 H -0.01 1.22 0.06 -0.55 8.40 9.13 1cx1A9 ALA 138 HA 0.11 -0.03 0.21 -0.75 4.34 3.88 1cx1A9 ALA 138 HB3 -0.16 -0.06 0.01 -0.04 1.41 1.16 1cx1A9 TYR 139 H -0.47 -0.08 0.07 -0.55 8.29 7.26 1cx1A9 TYR 139 HA 0.03 0.09 0.49 -0.75 4.56 4.42 1cx1A9 TYR 139 HB2 0.05 0.09 -0.15 -0.04 3.06 3.02 1cx1A9 TYR 139 HB3 0.03 0.20 -0.19 -0.04 2.98 2.98 1cx1A9 TYR 139 HD2 0.07 0.02 -0.22 -0.04 7.15 6.99 1cx1A9 TYR 139 HE2 0.19 0.02 -0.20 -0.04 6.85 6.82 1cx1A9 GLU 140 H 0.57 0.24 0.17 -0.55 8.60 9.04 1cx1A9 GLU 140 HA 0.06 0.14 1.11 -0.75 4.29 4.84 1cx1A9 GLU 140 HB2 0.16 0.14 0.24 -0.04 2.09 2.59 1cx1A9 GLU 140 HB3 0.11 -0.03 -0.02 -0.04 1.99 2.00 1cx1A9 GLU 140 HG2 0.06 -0.03 0.00 -0.04 2.34 2.33 1cx1A9 GLU 140 HG3 0.08 0.03 -0.23 -0.04 2.34 2.18 1cx1A9 PHE 141 H 0.15 0.35 0.25 -0.55 8.34 8.53 1cx1A9 PHE 141 HA 0.15 0.23 0.85 -0.75 4.62 5.10 1cx1A9 PHE 141 HB2 -0.09 -0.00 -0.01 -0.04 3.15 3.01 1cx1A9 PHE 141 HB3 0.03 -0.06 0.18 -0.04 3.06 3.17 1cx1A9 PHE 141 HD2 0.18 0.01 -0.12 -0.04 7.28 7.31 1cx1A9 PHE 141 HE2 0.22 0.02 -0.12 -0.04 7.38 7.46 1cx1A9 PHE 141 HZ -0.03 0.02 -0.13 -0.04 7.32 7.14 1cx1A9 CYS 142 H -0.19 0.40 0.11 -0.55 8.50 8.27 1cx1A9 CYS 142 HA -0.02 0.29 0.98 -0.75 4.58 5.07 1cx1A9 CYS 142 HB2 -0.05 0.08 0.19 -0.04 2.97 3.15 1cx1A9 CYS 142 HB3 -0.05 -0.04 0.03 -0.04 2.97 2.88 1cx1A9 ILE 143 H -0.05 0.40 0.17 -0.55 8.25 8.22 1cx1A9 ILE 143 HA -0.16 0.20 0.75 -0.75 4.18 4.21 1cx1A9 ILE 143 HB -0.04 0.24 0.22 -0.04 1.89 2.27 1cx1A9 ILE 143 HG12 0.12 -0.01 -0.08 -0.04 1.49 1.48 1cx1A9 ILE 143 HG13 -0.33 -0.08 -0.20 -0.04 1.21 0.55 1cx1A9 ILE 143 HG23 0.07 -0.03 -0.04 -0.04 0.93 0.90 1cx1A9 ILE 143 HD13 -0.27 -0.01 -0.03 -0.04 0.88 0.53 1cx1A9 SER 144 H -0.09 0.10 0.16 -0.55 8.46 8.08 1cx1A9 SER 144 HA 0.09 0.28 0.73 -0.75 4.49 4.83 1cx1A9 SER 144 HB2 0.00 0.28 0.09 -0.04 3.95 4.28 1cx1A9 SER 144 HB3 -0.01 -0.04 -0.13 -0.04 3.93 3.70 1cx1A9 GLN 145 H -0.19 0.16 0.22 -0.55 8.47 8.11 1cx1A9 GLN 145 HA -0.25 -0.08 0.32 -0.75 4.36 3.60 1cx1A9 GLN 145 HB2 -0.14 -0.04 -0.04 -0.04 2.15 1.89 1cx1A9 GLN 145 HB3 -0.15 0.23 0.01 -0.04 2.02 2.07 1cx1A9 GLN 145 HG2 -0.09 0.26 -0.33 -0.04 2.40 2.20 1cx1A9 GLN 145 HG3 -0.10 -0.24 -0.58 -0.04 2.39 1.44 1cx1A9 GLN 145 HE21 -0.06 -0.01 -0.12 -0.04 6.97 6.74 1cx1A9 GLN 145 HE22 -0.06 0.01 -0.08 -0.04 7.69 7.51 1cx1A9 VAL 146 H -0.30 0.11 0.02 -0.55 8.24 7.52 1cx1A9 VAL 146 HA -0.14 -0.00 0.48 -0.75 4.13 3.71 1cx1A9 VAL 146 HB -1.01 0.17 -0.12 -0.04 2.12 1.11 1cx1A9 VAL 146 HG13 -1.33 -0.01 0.06 -0.04 0.97 -0.34 1cx1A9 VAL 146 HG23 -0.65 -0.00 -0.06 -0.04 0.95 0.20 1cx1A9 SER 147 H -0.02 0.31 0.06 -0.55 8.46 8.27 1cx1A9 SER 147 HA 0.03 0.28 0.93 -0.75 4.49 4.97 1cx1A9 SER 147 HB2 0.01 0.03 0.03 -0.04 3.95 3.97 1cx1A9 SER 147 HB3 -0.02 0.05 0.12 -0.04 3.93 4.04 1cx1A9 LEU 148 H 0.16 0.20 0.17 -0.55 8.37 8.36 1cx1A9 LEU 148 HA 0.25 0.22 1.04 -0.75 4.35 5.11 1cx1A9 LEU 148 HB2 0.37 0.04 -0.03 -0.04 1.64 1.98 1cx1A9 LEU 148 HB3 0.33 -0.05 0.19 -0.04 1.64 2.07 1cx1A9 LEU 148 HG 0.27 -0.08 -0.17 -0.04 1.64 1.62 1cx1A9 LEU 148 HD13 0.34 0.00 0.12 -0.04 0.93 1.35 1cx1A9 LEU 148 HD23 0.26 0.04 0.01 -0.04 0.89 1.16 1cx1A9 THR 149 H 0.21 0.49 0.25 -0.55 8.28 8.68 1cx1A9 THR 149 HA 0.14 0.31 0.68 -0.75 4.39 4.77 1cx1A9 THR 149 HB 0.08 0.03 -0.73 -0.04 4.32 3.67 1cx1A9 THR 149 HG23 0.07 0.03 -0.27 -0.04 1.22 1.00 1cx1A9 THR 150 H -0.03 0.03 0.09 -0.55 8.28 7.82 1cx1A9 THR 150 HA -0.15 0.14 0.92 -0.75 4.39 4.54 1cx1A9 THR 150 HB -1.16 0.06 0.03 -0.04 4.32 3.21 1cx1A9 THR 150 HG23 -0.24 0.04 0.14 -0.04 1.22 1.11 1cx1A9 SER 151 H -0.20 0.07 0.22 -0.55 8.46 8.00 1cx1A9 SER 151 HA -0.07 -0.04 0.42 -0.75 4.49 4.05 1cx1A9 SER 151 HB2 -0.04 -0.12 0.15 -0.04 3.95 3.90 1cx1A9 SER 151 HB3 -0.04 -0.16 -0.33 -0.04 3.93 3.35 1cx1A9 ALA 152 H -0.12 -0.01 0.18 -0.55 8.40 7.90 1cx1A9 ALA 152 HA -0.08 -0.00 0.39 -0.75 4.34 3.89 1cx1A9 ALA 152 HB3 -0.04 0.02 0.06 -0.04 1.41 1.41 1cx1A9 THR 153 H -0.04 0.06 0.11 -0.55 8.28 7.86 1cx1A9 THR 153 HA -0.04 0.29 0.64 -0.75 4.39 4.53 1cx1A9 THR 153 HB -0.03 -0.02 -0.07 -0.04 4.32 4.16 1cx1A9 THR 153 HG23 -0.02 -0.00 0.06 -0.04 1.22 1.22