============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 25 0.840 73.264 11.051 51.378 -99.200 -91.000 PHE 30 1.000 76.845 29.067 45.822 -99.200 -91.000 HIS 53 0.900 65.075 15.962 37.102 -99.200 -91.000 HIS 57 0.900 61.960 12.755 37.824 -99.200 -91.000 TYR 66 0.840 69.380 23.396 37.259 -99.200 -91.000 TRP 71 1.040 80.938 24.880 46.011 -99.200 -91.000 TRP6 71 1.020 81.823 26.983 45.392 -99.200 -91.000 HIS 80 0.900 87.651 16.423 31.180 -99.200 -91.000 PHE 105 1.000 72.932 28.628 26.645 -99.200 -91.000 PHE 116 1.000 78.907 28.081 41.021 -99.200 -91.000 TYR 117 0.840 82.203 34.672 40.962 -99.200 -91.000 HIS 121 0.900 76.159 32.088 48.662 -99.200 -91.000 HIS 129 0.900 78.969 41.150 33.938 -99.200 -91.000 PHE 136 1.000 76.324 22.798 25.299 -99.200 -91.000 HIS 156 0.900 70.493 13.947 14.234 -99.200 -91.000 PHE 169 1.000 55.738 17.511 28.439 -99.200 -91.000 PHE 176 1.000 53.791 24.560 14.047 -99.200 -91.000 PHE 178 1.000 59.924 27.590 22.357 -99.200 -91.000 TRP 181 1.040 62.167 32.508 18.396 -99.200 -91.000 TRP6 181 1.020 61.936 32.526 20.752 -99.200 -91.000 TYR 204 0.840 77.264 20.928 30.946 -99.200 -91.000 TYR 213 0.840 59.514 13.518 15.245 -99.200 -91.000 TRP 216 1.040 57.721 19.847 15.669 -99.200 -91.000 TRP6 216 1.020 58.167 19.202 13.434 -99.200 -91.000 TRP 250 1.040 91.589 15.672 28.439 -99.200 -91.000 TRP6 250 1.020 89.831 16.481 27.079 -99.200 -91.000 HIS 255 0.900 96.932 28.205 31.592 -99.200 -91.000 PHE 263 1.000 92.969 36.385 33.399 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cg6A1 ALA 9 HA 0.04 -0.06 0.26 -0.75 4.34 3.82 1cg6A1 ALA 9 HB3 0.01 -0.00 0.04 -0.04 1.41 1.42 1cg6A1 VAL 10 H 0.01 0.12 0.17 -0.55 8.24 7.99 1cg6A1 VAL 10 HA 0.00 0.22 0.96 -0.75 4.13 4.57 1cg6A1 VAL 10 HB -0.21 -0.09 0.00 -0.04 2.12 1.78 1cg6A1 VAL 10 HG13 -0.06 0.02 -0.11 -0.04 0.97 0.77 1cg6A1 VAL 10 HG23 -0.11 0.00 -0.07 -0.04 0.95 0.73 1cg6A1 LYS 11 H -0.01 0.11 0.20 -0.55 8.42 8.16 1cg6A1 LYS 11 HA -0.05 0.30 0.72 -0.75 4.32 4.54 1cg6A1 LYS 11 HB2 -0.03 0.07 -0.15 -0.04 1.87 1.73 1cg6A1 LYS 11 HB3 -0.03 0.07 -0.04 -0.04 1.79 1.75 1cg6A1 LYS 11 HG2 -0.03 -0.10 -0.44 -0.04 1.46 0.85 1cg6A1 LYS 11 HG3 -0.03 0.01 -0.25 -0.04 1.46 1.15 1cg6A1 LYS 11 HD2 -0.03 -0.01 -0.49 -0.04 1.69 1.11 1cg6A1 LYS 11 HD3 -0.03 -0.05 -0.28 -0.04 1.68 1.28 1cg6A1 LYS 11 HE2 -0.02 -0.08 -0.08 -0.04 2.99 2.76 1cg6A1 LYS 11 HE3 -0.02 0.01 -0.08 -0.04 2.99 2.85 1cg6A1 ILE 12 H -0.07 0.60 0.22 -0.55 8.25 8.45 1cg6A1 ILE 12 HA -0.05 0.12 0.95 -0.75 4.18 4.45 1cg6A1 ILE 12 HB -0.07 -0.02 0.05 -0.04 1.89 1.80 1cg6A1 ILE 12 HG12 -0.13 0.07 -0.06 -0.04 1.49 1.33 1cg6A1 ILE 12 HG13 -0.15 -0.00 -0.07 -0.04 1.21 0.95 1cg6A1 ILE 12 HG23 -0.09 0.02 -0.18 -0.04 0.93 0.65 1cg6A1 ILE 12 HD13 -0.38 -0.02 -0.19 -0.04 0.88 0.25 1cg6A1 GLY 13 H -0.02 0.86 0.43 -0.55 8.43 9.15 1cg6A1 GLY 13 HA2 -0.02 0.18 0.86 -0.51 4.01 4.52 1cg6A1 GLY 13 HA3 -0.01 -0.00 0.40 -0.51 4.01 3.88 1cg6A1 ILE 14 H -0.02 0.79 0.40 -0.55 8.25 8.86 1cg6A1 ILE 14 HA -0.03 0.39 1.00 -0.75 4.18 4.79 1cg6A1 ILE 14 HB -0.02 -0.09 0.09 -0.04 1.89 1.83 1cg6A1 ILE 14 HG12 -0.04 0.05 -0.14 -0.04 1.49 1.32 1cg6A1 ILE 14 HG13 -0.04 0.02 -0.56 -0.04 1.21 0.60 1cg6A1 ILE 14 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.69 1cg6A1 ILE 14 HD13 -0.03 -0.01 -0.18 -0.04 0.88 0.62 1cg6A1 ILE 15 H -0.02 0.35 0.12 -0.55 8.25 8.16 1cg6A1 ILE 15 HA -0.01 0.31 1.05 -0.75 4.18 4.78 1cg6A1 ILE 15 HB 0.03 -0.06 0.09 -0.04 1.89 1.91 1cg6A1 ILE 15 HG12 0.01 0.05 -0.16 -0.04 1.49 1.35 1cg6A1 ILE 15 HG13 0.03 -0.01 -0.26 -0.04 1.21 0.92 1cg6A1 ILE 15 HG23 -0.00 -0.01 -0.16 -0.04 0.93 0.71 1cg6A1 ILE 15 HD13 0.09 0.00 -0.17 -0.04 0.88 0.77 1cg6A1 GLY 16 H -0.01 0.57 0.30 -0.55 8.43 8.75 1cg6A1 GLY 16 HA2 0.02 0.11 0.71 -0.51 4.01 4.34 1cg6A1 GLY 16 HA3 0.02 0.01 0.24 -0.51 4.01 3.77 1cg6A1 GLY 17 H 0.05 0.15 0.04 -0.55 8.43 8.12 1cg6A1 GLY 17 HA2 0.13 0.07 0.47 -0.51 4.01 4.17 1cg6A1 GLY 17 HA3 0.10 0.06 0.27 -0.51 4.01 3.94 1cg6A1 THR 18 H 0.17 0.08 0.11 -0.55 8.28 8.09 1cg6A1 THR 18 HA 0.22 0.06 0.39 -0.75 4.39 4.30 1cg6A1 THR 18 HB 0.07 -0.03 0.14 -0.04 4.32 4.46 1cg6A1 THR 18 HG23 -0.06 0.03 -0.09 -0.04 1.22 1.05 1cg6A1 GLY 19 H 0.10 0.17 0.18 -0.55 8.43 8.32 1cg6A1 GLY 19 HA2 0.03 0.03 0.30 -0.51 4.01 3.87 1cg6A1 GLY 19 HA3 0.02 0.08 0.33 -0.51 4.01 3.93 1cg6A1 LEU 20 H 0.06 0.38 -0.45 -0.55 8.37 7.82 1cg6A1 LEU 20 HA 0.02 0.20 0.62 -0.75 4.35 4.44 1cg6A1 LEU 20 HB2 0.04 -0.17 -0.24 -0.04 1.64 1.23 1cg6A1 LEU 20 HB3 0.02 -0.00 0.09 -0.04 1.64 1.71 1cg6A1 LEU 20 HG 0.03 0.20 -0.56 -0.04 1.64 1.27 1cg6A1 LEU 20 HD13 0.03 -0.04 -0.23 -0.04 0.93 0.65 1cg6A1 LEU 20 HD23 0.01 0.03 0.01 -0.04 0.89 0.90 1cg6A1 ASP 21 H 0.04 0.11 -0.17 -0.55 8.40 7.83 1cg6A1 ASP 21 HA 0.01 0.24 0.80 -0.75 4.63 4.93 1cg6A1 ASP 21 HB2 0.02 -0.00 0.07 -0.04 2.71 2.75 1cg6A1 ASP 21 HB3 0.03 -0.01 -0.13 -0.04 2.70 2.55 1cg6A1 ASP 22 H 0.01 0.20 -0.23 -0.55 8.40 7.83 1cg6A1 ASP 22 HA 0.01 0.18 0.60 -0.75 4.63 4.67 1cg6A1 ASP 22 HB2 0.01 0.02 -0.05 -0.04 2.71 2.65 1cg6A1 ASP 22 HB3 0.00 0.04 0.03 -0.04 2.70 2.73 1cg6A1 PRO 23 HA -0.01 0.10 0.34 -0.51 4.44 4.35 1cg6A1 PRO 23 HB2 -0.01 0.06 -0.03 -0.04 2.28 2.25 1cg6A1 PRO 23 HB3 -0.01 0.03 0.04 -0.04 2.02 2.04 1cg6A1 PRO 23 HG2 -0.00 0.02 0.03 -0.04 2.03 2.04 1cg6A1 PRO 23 HG3 -0.00 0.05 0.05 -0.04 2.03 2.09 1cg6A1 PRO 23 HD2 0.00 0.05 0.25 -0.04 3.68 3.94 1cg6A1 PRO 23 HD3 0.00 0.31 0.26 -0.04 3.65 4.18 1cg6A1 GLU 24 H -0.00 0.08 -0.33 -0.55 8.60 7.80 1cg6A1 GLU 24 HA -0.00 0.15 0.35 -0.75 4.29 4.03 1cg6A1 GLU 24 HB2 -0.00 -0.01 -0.07 -0.04 2.09 1.97 1cg6A1 GLU 24 HB3 -0.00 0.05 0.09 -0.04 1.99 2.08 1cg6A1 GLU 24 HG2 -0.00 -0.07 -0.00 -0.04 2.34 2.23 1cg6A1 GLU 24 HG3 0.00 0.02 -0.01 -0.04 2.34 2.31 1cg6A1 ILE 25 H -0.01 0.15 -0.89 -0.55 8.25 6.96 1cg6A1 ILE 25 HA -0.01 0.06 0.45 -0.75 4.18 3.93 1cg6A1 ILE 25 HB -0.01 -0.02 0.00 -0.04 1.89 1.82 1cg6A1 ILE 25 HG12 -0.01 0.02 -0.07 -0.04 1.49 1.39 1cg6A1 ILE 25 HG13 -0.01 -0.01 0.04 -0.04 1.21 1.19 1cg6A1 ILE 25 HG23 -0.01 -0.00 -0.15 -0.04 0.93 0.73 1cg6A1 ILE 25 HD13 -0.01 -0.03 -0.05 -0.04 0.88 0.75 1cg6A1 LEU 26 H -0.01 0.38 -0.15 -0.55 8.37 8.05 1cg6A1 LEU 26 HA -0.01 0.28 0.79 -0.75 4.35 4.65 1cg6A1 LEU 26 HB2 -0.01 0.00 -0.10 -0.04 1.64 1.48 1cg6A1 LEU 26 HB3 -0.02 -0.05 -0.11 -0.04 1.64 1.43 1cg6A1 LEU 26 HG -0.02 -0.08 -0.19 -0.04 1.64 1.31 1cg6A1 LEU 26 HD13 -0.02 -0.03 -0.27 -0.04 0.93 0.56 1cg6A1 LEU 26 HD23 -0.02 0.02 -0.38 -0.04 0.89 0.47 1cg6A1 GLU 27 H -0.01 0.69 0.35 -0.55 8.60 9.09 1cg6A1 GLU 27 HA -0.01 0.12 0.84 -0.75 4.29 4.49 1cg6A1 GLU 27 HB2 -0.01 0.07 0.10 -0.04 2.09 2.21 1cg6A1 GLU 27 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.95 1cg6A1 GLU 27 HG2 -0.01 0.03 -0.05 -0.04 2.34 2.27 1cg6A1 GLU 27 HG3 -0.01 0.07 -0.03 -0.04 2.34 2.33 1cg6A1 GLY 28 H -0.01 0.11 0.16 -0.55 8.43 8.15 1cg6A1 GLY 28 HA2 -0.00 0.01 0.33 -0.51 4.01 3.83 1cg6A1 GLY 28 HA3 -0.01 0.06 0.42 -0.51 4.01 3.98 1cg6A1 ARG 29 H -0.01 -0.02 -0.11 -0.55 8.46 7.76 1cg6A1 ARG 29 HA -0.01 0.47 0.45 -0.75 4.34 4.49 1cg6A1 ARG 29 HB2 -0.01 -0.08 -0.03 -0.04 1.90 1.74 1cg6A1 ARG 29 HB3 -0.01 -0.06 -0.16 -0.04 1.80 1.53 1cg6A1 ARG 29 HG2 -0.01 0.01 -0.28 -0.04 1.67 1.35 1cg6A1 ARG 29 HG3 -0.01 0.02 -0.25 -0.04 1.67 1.39 1cg6A1 ARG 29 HD2 -0.01 -0.11 -0.12 -0.04 3.22 2.93 1cg6A1 ARG 29 HD3 -0.01 0.35 -0.04 -0.04 3.22 3.48 1cg6A1 THR 30 H -0.02 0.42 0.25 -0.55 8.28 8.38 1cg6A1 THR 30 HA -0.01 0.04 0.82 -0.75 4.39 4.48 1cg6A1 THR 30 HB -0.01 -0.01 0.11 -0.04 4.32 4.37 1cg6A1 THR 30 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.16 1cg6A1 GLU 31 H -0.01 0.11 0.16 -0.55 8.60 8.31 1cg6A1 GLU 31 HA -0.08 0.20 0.71 -0.75 4.29 4.37 1cg6A1 GLU 31 HB2 -0.03 -0.01 0.08 -0.04 2.09 2.08 1cg6A1 GLU 31 HB3 -0.00 -0.01 0.12 -0.04 1.99 2.06 1cg6A1 GLU 31 HG2 -0.17 -0.02 -0.17 -0.04 2.34 1.95 1cg6A1 GLU 31 HG3 -0.20 0.00 -0.01 -0.04 2.34 2.09 1cg6A1 LYS 32 H -0.15 0.41 0.21 -0.55 8.42 8.34 1cg6A1 LYS 32 HA 0.02 0.05 0.72 -0.75 4.32 4.36 1cg6A1 LYS 32 HB2 -0.01 0.10 -0.25 -0.04 1.87 1.67 1cg6A1 LYS 32 HB3 -0.04 0.00 0.05 -0.04 1.79 1.76 1cg6A1 LYS 32 HG2 0.01 -0.02 -0.33 -0.04 1.46 1.08 1cg6A1 LYS 32 HG3 0.02 0.01 -0.01 -0.04 1.46 1.44 1cg6A1 LYS 32 HD2 -0.00 0.01 -0.06 -0.04 1.69 1.61 1cg6A1 LYS 32 HD3 -0.01 -0.02 -0.07 -0.04 1.68 1.54 1cg6A1 LYS 32 HE2 0.02 -0.02 -0.08 -0.04 2.99 2.87 1cg6A1 LYS 32 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 1cg6A1 TYR 33 H 0.19 0.16 0.14 -0.55 8.29 8.23 1cg6A1 TYR 33 HA 0.01 0.03 0.75 -0.75 4.56 4.60 1cg6A1 TYR 33 HB2 0.01 0.00 0.15 -0.04 3.06 3.17 1cg6A1 TYR 33 HB3 0.01 0.08 0.01 -0.04 2.98 3.04 1cg6A1 TYR 33 HD2 0.00 0.06 -0.02 -0.04 7.15 7.16 1cg6A1 TYR 33 HE2 0.00 0.01 -0.01 -0.04 6.85 6.81 1cg6A1 VAL 34 H 0.10 0.18 0.22 -0.55 8.24 8.20 1cg6A1 VAL 34 HA 0.08 0.20 0.86 -0.75 4.13 4.52 1cg6A1 VAL 34 HB 0.07 0.05 0.13 -0.04 2.12 2.33 1cg6A1 VAL 34 HG13 0.04 0.02 -0.22 -0.04 0.97 0.76 1cg6A1 VAL 34 HG23 0.06 -0.01 -0.09 -0.04 0.95 0.87 1cg6A1 ASP 35 H 0.07 0.25 0.19 -0.55 8.40 8.36 1cg6A1 ASP 35 HA 0.06 0.18 0.83 -0.75 4.63 4.94 1cg6A1 ASP 35 HB2 0.04 -0.04 -0.10 -0.04 2.71 2.57 1cg6A1 ASP 35 HB3 0.03 0.02 -0.08 -0.04 2.70 2.63 1cg6A1 THR 36 H 0.03 0.34 0.15 -0.55 8.28 8.24 1cg6A1 THR 36 HA 0.07 0.25 0.80 -0.75 4.39 4.77 1cg6A1 THR 36 HB -0.04 0.02 0.09 -0.04 4.32 4.35 1cg6A1 THR 36 HG23 0.24 0.06 -0.23 -0.04 1.22 1.24 1cg6A1 PRO 37 HA -0.26 0.10 0.46 -0.51 4.44 4.23 1cg6A1 PRO 37 HB2 -1.30 0.03 -0.01 -0.04 2.28 0.97 1cg6A1 PRO 37 HB3 -0.47 -0.01 0.12 -0.04 2.02 1.62 1cg6A1 PRO 37 HG2 -0.56 0.06 0.06 -0.04 2.03 1.55 1cg6A1 PRO 37 HG3 -0.21 0.06 0.06 -0.04 2.03 1.89 1cg6A1 PRO 37 HD2 -1.30 0.12 0.16 -0.04 3.68 2.62 1cg6A1 PRO 37 HD3 -0.12 0.20 0.18 -0.04 3.65 3.87 1cg6A1 PHE 38 H -0.20 0.05 -0.50 -0.55 8.34 7.14 1cg6A1 PHE 38 HA -0.18 0.22 0.73 -0.75 4.62 4.63 1cg6A1 PHE 38 HB2 -0.16 -0.02 -0.19 -0.04 3.15 2.74 1cg6A1 PHE 38 HB3 -0.13 -0.04 0.04 -0.04 3.06 2.89 1cg6A1 PHE 38 HD2 -0.59 0.01 -0.07 -0.04 7.28 6.58 1cg6A1 PHE 38 HE2 -1.05 0.04 -0.02 -0.04 7.38 6.31 1cg6A1 PHE 38 HZ -0.36 0.13 0.03 -0.04 7.32 7.08 1cg6A1 GLY 39 H -0.05 0.47 -0.28 -0.55 8.43 8.03 1cg6A1 GLY 39 HA2 -0.00 0.04 0.30 -0.51 4.01 3.83 1cg6A1 GLY 39 HA3 0.03 0.20 0.86 -0.51 4.01 4.58 1cg6A1 LYS 40 H 0.02 0.12 0.15 -0.55 8.42 8.16 1cg6A1 LYS 40 HA 0.05 0.15 0.70 -0.75 4.32 4.46 1cg6A1 LYS 40 HB2 0.02 -0.04 0.11 -0.04 1.87 1.93 1cg6A1 LYS 40 HB3 0.05 0.14 0.06 -0.04 1.79 2.00 1cg6A1 LYS 40 HG2 0.04 0.07 0.04 -0.04 1.46 1.57 1cg6A1 LYS 40 HG3 0.02 -0.10 0.05 -0.04 1.46 1.38 1cg6A1 LYS 40 HD2 0.01 -0.01 0.02 -0.04 1.69 1.67 1cg6A1 LYS 40 HD3 0.02 0.02 -0.00 -0.04 1.68 1.69 1cg6A1 LYS 40 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 1cg6A1 LYS 40 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 1cg6A1 PRO 41 HA 0.01 0.01 0.34 -0.51 4.44 4.28 1cg6A1 PRO 41 HB2 0.02 0.17 -0.00 -0.04 2.28 2.42 1cg6A1 PRO 41 HB3 0.02 -0.02 -0.02 -0.04 2.02 1.96 1cg6A1 PRO 41 HG2 0.06 0.03 -0.04 -0.04 2.03 2.03 1cg6A1 PRO 41 HG3 0.08 0.09 -0.16 -0.04 2.03 2.00 1cg6A1 PRO 41 HD2 0.07 0.15 0.19 -0.04 3.68 4.05 1cg6A1 PRO 41 HD3 0.07 0.13 0.19 -0.04 3.65 4.00 1cg6A1 SER 42 H -0.05 0.09 0.08 -0.55 8.46 8.03 1cg6A1 SER 42 HA -0.04 0.06 0.32 -0.75 4.49 4.07 1cg6A1 SER 42 HB2 -0.08 0.00 0.03 -0.04 3.95 3.87 1cg6A1 SER 42 HB3 -0.09 -0.10 -0.08 -0.04 3.93 3.62 1cg6A1 ASP 43 H -0.02 0.22 -0.26 -0.55 8.40 7.79 1cg6A1 ASP 43 HA 0.06 0.13 0.45 -0.75 4.63 4.51 1cg6A1 ASP 43 HB2 -0.02 -0.05 -0.27 -0.04 2.71 2.33 1cg6A1 ASP 43 HB3 -0.05 0.10 0.01 -0.04 2.70 2.72 1cg6A1 ALA 44 H -0.24 0.04 0.12 -0.55 8.40 7.78 1cg6A1 ALA 44 HA -0.39 0.09 0.49 -0.75 4.34 3.78 1cg6A1 ALA 44 HB3 -1.06 -0.02 -0.01 -0.04 1.41 0.28 1cg6A1 LEU 45 H -0.15 0.57 0.34 -0.55 8.37 8.58 1cg6A1 LEU 45 HA -0.07 0.18 0.70 -0.75 4.35 4.41 1cg6A1 LEU 45 HB2 -0.05 0.04 0.15 -0.04 1.64 1.74 1cg6A1 LEU 45 HB3 -0.04 0.01 0.01 -0.04 1.64 1.57 1cg6A1 LEU 45 HG -0.03 -0.03 0.09 -0.04 1.64 1.63 1cg6A1 LEU 45 HD13 -0.00 0.01 -0.09 -0.04 0.93 0.80 1cg6A1 LEU 45 HD23 -0.02 -0.01 -0.13 -0.04 0.89 0.69 1cg6A1 ILE 46 H -0.05 0.57 0.30 -0.55 8.25 8.51 1cg6A1 ILE 46 HA -0.06 0.22 0.97 -0.75 4.18 4.56 1cg6A1 ILE 46 HB -0.04 -0.09 0.16 -0.04 1.89 1.89 1cg6A1 ILE 46 HG12 -0.06 0.12 -0.16 -0.04 1.49 1.35 1cg6A1 ILE 46 HG13 -0.04 -0.07 -0.08 -0.04 1.21 0.98 1cg6A1 ILE 46 HG23 -0.03 0.00 -0.19 -0.04 0.93 0.67 1cg6A1 ILE 46 HD13 -0.08 0.02 -0.18 -0.04 0.88 0.60 1cg6A1 LEU 47 H -0.03 0.66 0.26 -0.55 8.37 8.71 1cg6A1 LEU 47 HA -0.03 0.23 0.91 -0.75 4.35 4.71 1cg6A1 LEU 47 HB2 -0.02 0.03 0.19 -0.04 1.64 1.80 1cg6A1 LEU 47 HB3 -0.02 0.05 0.03 -0.04 1.64 1.66 1cg6A1 LEU 47 HG -0.02 0.07 0.02 -0.04 1.64 1.66 1cg6A1 LEU 47 HD13 -0.03 -0.01 -0.19 -0.04 0.93 0.67 1cg6A1 LEU 47 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.80 1cg6A1 GLY 48 H -0.02 0.57 0.34 -0.55 8.43 8.77 1cg6A1 GLY 48 HA2 -0.01 0.23 0.38 -0.51 4.01 4.10 1cg6A1 GLY 48 HA3 -0.02 -0.06 0.18 -0.51 4.01 3.60 1cg6A1 LYS 49 H -0.01 0.42 0.28 -0.55 8.42 8.55 1cg6A1 LYS 49 HA -0.02 0.29 0.91 -0.75 4.32 4.74 1cg6A1 LYS 49 HB2 -0.01 -0.07 -0.10 -0.04 1.87 1.65 1cg6A1 LYS 49 HB3 -0.01 0.07 -0.26 -0.04 1.79 1.54 1cg6A1 LYS 49 HG2 -0.01 0.06 -0.29 -0.04 1.46 1.17 1cg6A1 LYS 49 HG3 -0.01 -0.06 -0.42 -0.04 1.46 0.93 1cg6A1 LYS 49 HD2 -0.01 -0.05 -0.13 -0.04 1.69 1.46 1cg6A1 LYS 49 HD3 -0.01 0.04 -0.26 -0.04 1.68 1.41 1cg6A1 LYS 49 HE2 -0.01 0.01 -0.13 -0.04 2.99 2.82 1cg6A1 LYS 49 HE3 -0.01 -0.02 -0.10 -0.04 2.99 2.81 1cg6A1 ILE 50 H -0.02 0.57 0.03 -0.55 8.25 8.28 1cg6A1 ILE 50 HA -0.01 0.12 0.75 -0.75 4.18 4.28 1cg6A1 ILE 50 HB -0.02 -0.03 0.09 -0.04 1.89 1.88 1cg6A1 ILE 50 HG12 -0.02 0.23 0.03 -0.04 1.49 1.69 1cg6A1 ILE 50 HG13 -0.02 -0.10 -0.44 -0.04 1.21 0.61 1cg6A1 ILE 50 HG23 -0.01 -0.01 -0.00 -0.04 0.93 0.87 1cg6A1 ILE 50 HD13 -0.02 -0.02 -0.17 -0.04 0.88 0.62 1cg6A1 LYS 51 H -0.01 0.15 0.04 -0.55 8.42 8.05 1cg6A1 LYS 51 HA -0.00 0.03 0.33 -0.75 4.32 3.92 1cg6A1 LYS 51 HB2 -0.01 0.19 0.07 -0.04 1.87 2.08 1cg6A1 LYS 51 HB3 -0.00 -0.04 0.23 -0.04 1.79 1.94 1cg6A1 LYS 51 HG2 -0.01 -0.00 -0.09 -0.04 1.46 1.32 1cg6A1 LYS 51 HG3 -0.00 0.05 -0.01 -0.04 1.46 1.46 1cg6A1 LYS 51 HD2 -0.00 0.00 0.03 -0.04 1.69 1.68 1cg6A1 LYS 51 HD3 -0.00 -0.02 0.06 -0.04 1.68 1.68 1cg6A1 LYS 51 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.93 1cg6A1 LYS 51 HE3 -0.00 0.01 0.01 -0.04 2.99 2.96 1cg6A1 ASN 52 H -0.00 0.14 0.23 -0.55 8.53 8.35 1cg6A1 ASN 52 HA -0.01 0.22 0.84 -0.75 4.76 5.06 1cg6A1 ASN 52 HB2 0.00 0.01 0.11 -0.04 2.88 2.96 1cg6A1 ASN 52 HB3 -0.00 0.03 0.17 -0.04 2.79 2.94 1cg6A1 ASN 52 HD21 0.00 -0.02 -0.03 -0.04 7.03 6.94 1cg6A1 ASN 52 HD22 0.00 0.03 0.01 -0.04 7.74 7.73 1cg6A1 VAL 53 H -0.02 0.44 -0.08 -0.55 8.24 8.04 1cg6A1 VAL 53 HA -0.02 0.17 0.81 -0.75 4.13 4.33 1cg6A1 VAL 53 HB -0.04 -0.00 0.05 -0.04 2.12 2.09 1cg6A1 VAL 53 HG13 -0.07 0.05 -0.12 -0.04 0.97 0.79 1cg6A1 VAL 53 HG23 -0.02 0.00 -0.03 -0.04 0.95 0.87 1cg6A1 ASP 54 H -0.03 0.21 0.25 -0.55 8.40 8.28 1cg6A1 ASP 54 HA -0.02 0.18 0.65 -0.75 4.63 4.68 1cg6A1 ASP 54 HB2 -0.03 0.03 0.23 -0.04 2.71 2.91 1cg6A1 ASP 54 HB3 -0.02 0.04 0.05 -0.04 2.70 2.72 1cg6A1 CYS 55 H -0.03 0.71 0.42 -0.55 8.50 9.06 1cg6A1 CYS 55 HA -0.04 0.21 0.94 -0.75 4.58 4.94 1cg6A1 CYS 55 HB2 -0.03 -0.06 -0.19 -0.04 2.97 2.65 1cg6A1 CYS 55 HB3 -0.03 -0.01 -0.06 -0.04 2.97 2.83 1cg6A1 VAL 56 H -0.03 0.60 0.26 -0.55 8.24 8.52 1cg6A1 VAL 56 HA -0.03 0.26 0.87 -0.75 4.13 4.48 1cg6A1 VAL 56 HB -0.02 -0.09 0.08 -0.04 2.12 2.04 1cg6A1 VAL 56 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.74 1cg6A1 VAL 56 HG23 -0.03 0.02 -0.30 -0.04 0.95 0.61 1cg6A1 LEU 57 H -0.03 0.65 0.29 -0.55 8.37 8.74 1cg6A1 LEU 57 HA -0.02 0.27 1.03 -0.75 4.35 4.88 1cg6A1 LEU 57 HB2 -0.02 0.02 -0.04 -0.04 1.64 1.56 1cg6A1 LEU 57 HB3 -0.03 0.00 0.11 -0.04 1.64 1.69 1cg6A1 LEU 57 HG -0.02 -0.06 -0.35 -0.04 1.64 1.16 1cg6A1 LEU 57 HD13 -0.01 0.04 -0.10 -0.04 0.93 0.82 1cg6A1 LEU 57 HD23 -0.02 -0.00 -0.26 -0.04 0.89 0.57 1cg6A1 LEU 58 H -0.02 0.64 0.38 -0.55 8.37 8.82 1cg6A1 LEU 58 HA -0.04 0.17 0.77 -0.75 4.35 4.50 1cg6A1 LEU 58 HB2 -0.03 0.09 -0.25 -0.04 1.64 1.41 1cg6A1 LEU 58 HB3 -0.02 0.01 -0.00 -0.04 1.64 1.59 1cg6A1 LEU 58 HG -0.04 -0.08 -0.38 -0.04 1.64 1.10 1cg6A1 LEU 58 HD13 -0.04 -0.05 -0.12 -0.04 0.93 0.68 1cg6A1 LEU 58 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 1cg6A1 ALA 59 H -0.04 0.21 0.04 -0.55 8.40 8.07 1cg6A1 ALA 59 HA -0.01 0.16 0.77 -0.75 4.34 4.50 1cg6A1 ALA 59 HB3 -0.00 0.02 -0.08 -0.04 1.41 1.31 1cg6A1 ARG 60 H -0.05 0.56 0.20 -0.55 8.46 8.62 1cg6A1 ARG 60 HA -0.18 0.03 0.25 -0.75 4.34 3.69 1cg6A1 ARG 60 HB2 -0.11 0.04 -0.04 -0.04 1.90 1.75 1cg6A1 ARG 60 HB3 -0.26 -0.02 0.05 -0.04 1.80 1.53 1cg6A1 ARG 60 HG2 -0.66 0.02 -0.20 -0.04 1.67 0.79 1cg6A1 ARG 60 HG3 -0.27 -0.01 -0.04 -0.04 1.67 1.31 1cg6A1 ARG 60 HD2 -0.12 -0.08 -0.07 -0.04 3.22 2.91 1cg6A1 ARG 60 HD3 -0.04 0.03 -0.07 -0.04 3.22 3.10 1cg6A1 HIS 61 H -0.08 0.12 -0.20 -0.55 8.41 7.70 1cg6A1 HIS 61 HA -0.19 0.25 0.77 -0.75 4.63 4.70 1cg6A1 HIS 61 HB2 -0.45 0.02 0.04 -0.04 3.26 2.82 1cg6A1 HIS 61 HB3 -0.69 -0.07 0.18 -0.04 3.20 2.58 1cg6A1 HIS 61 HD2 -0.04 -0.04 -0.11 -0.04 6.97 6.74 1cg6A1 HIS 61 HE1 -0.02 -0.02 -0.06 -0.04 7.75 7.60 1cg6A1 GLY 62 H -0.06 0.36 -0.50 -0.55 8.43 7.70 1cg6A1 GLY 62 HA2 -0.01 0.14 0.23 -0.51 4.01 3.86 1cg6A1 GLY 62 HA3 -0.00 0.13 0.64 -0.51 4.01 4.27 1cg6A1 ARG 63 H 0.02 0.19 0.13 -0.55 8.46 8.26 1cg6A1 ARG 63 HA 0.03 0.09 0.39 -0.75 4.34 4.10 1cg6A1 ARG 63 HB2 0.03 -0.02 0.15 -0.04 1.90 2.02 1cg6A1 ARG 63 HB3 0.03 0.06 0.00 -0.04 1.80 1.85 1cg6A1 ARG 63 HG2 0.01 0.05 0.07 -0.04 1.67 1.76 1cg6A1 ARG 63 HG3 -0.00 -0.06 0.08 -0.04 1.67 1.65 1cg6A1 ARG 63 HD2 0.01 0.03 0.02 -0.04 3.22 3.23 1cg6A1 ARG 63 HD3 -0.01 0.03 0.01 -0.04 3.22 3.22 1cg6A1 GLN 64 H 0.04 0.05 -0.25 -0.55 8.47 7.77 1cg6A1 GLN 64 HA 0.06 0.22 0.75 -0.75 4.36 4.63 1cg6A1 GLN 64 HB2 0.04 -0.02 -0.02 -0.04 2.15 2.11 1cg6A1 GLN 64 HB3 0.04 0.05 0.09 -0.04 2.02 2.17 1cg6A1 GLN 64 HG2 0.03 0.06 -0.06 -0.04 2.40 2.39 1cg6A1 GLN 64 HG3 0.04 -0.11 -0.13 -0.04 2.39 2.15 1cg6A1 GLN 64 HE21 0.03 0.02 -0.01 -0.04 6.97 6.97 1cg6A1 GLN 64 HE22 0.04 -0.05 -0.02 -0.04 7.69 7.62 1cg6A1 HIS 65 H 0.09 0.35 -0.59 -0.55 8.41 7.71 1cg6A1 HIS 65 HA 0.07 0.12 0.25 -0.75 4.63 4.32 1cg6A1 HIS 65 HB2 0.01 -0.03 -0.12 -0.04 3.26 3.09 1cg6A1 HIS 65 HB3 -0.01 0.11 0.10 -0.04 3.20 3.36 1cg6A1 HIS 65 HD2 -0.04 -0.08 -0.01 -0.04 6.97 6.80 1cg6A1 HIS 65 HE1 -0.29 -0.02 -0.05 -0.04 7.75 7.35 1cg6A1 THR 66 H 0.01 0.35 0.12 -0.55 8.28 8.21 1cg6A1 THR 66 HA 0.07 0.22 0.85 -0.75 4.39 4.77 1cg6A1 THR 66 HB 0.03 -0.01 0.10 -0.04 4.32 4.40 1cg6A1 THR 66 HG23 0.04 -0.01 -0.26 -0.04 1.22 0.94 1cg6A1 ILE 67 H -0.05 0.21 0.08 -0.55 8.25 7.94 1cg6A1 ILE 67 HA 0.00 0.18 0.99 -0.75 4.18 4.60 1cg6A1 ILE 67 HB -0.05 -0.05 0.08 -0.04 1.89 1.84 1cg6A1 ILE 67 HG12 -0.02 0.07 -0.16 -0.04 1.49 1.34 1cg6A1 ILE 67 HG13 -0.02 -0.14 -0.20 -0.04 1.21 0.81 1cg6A1 ILE 67 HG23 -0.05 0.04 -0.25 -0.04 0.93 0.63 1cg6A1 ILE 67 HD13 -0.05 0.01 -0.08 -0.04 0.88 0.72 1cg6A1 MET 68 H 0.02 0.16 0.10 -0.55 8.47 8.20 1cg6A1 MET 68 HA 0.05 0.14 0.49 -0.75 4.52 4.44 1cg6A1 MET 68 HB2 0.02 0.02 0.12 -0.04 2.15 2.27 1cg6A1 MET 68 HB3 0.02 0.06 0.10 -0.04 2.03 2.17 1cg6A1 MET 68 HG2 0.02 0.05 0.05 -0.04 2.63 2.70 1cg6A1 MET 68 HG3 0.03 -0.27 -0.26 -0.04 2.56 2.02 1cg6A1 MET 68 HE3 0.01 0.02 0.02 -0.04 2.10 2.11 1cg6A1 PRO 69 HA 0.15 0.04 0.36 -0.51 4.44 4.48 1cg6A1 PRO 69 HB2 0.07 0.13 0.14 -0.04 2.28 2.58 1cg6A1 PRO 69 HB3 0.14 0.21 0.07 -0.04 2.02 2.39 1cg6A1 PRO 69 HG2 0.05 0.01 0.09 -0.04 2.03 2.13 1cg6A1 PRO 69 HG3 0.20 -0.01 0.07 -0.04 2.03 2.26 1cg6A1 PRO 69 HD2 0.03 0.08 0.22 -0.04 3.68 3.97 1cg6A1 PRO 69 HD3 0.05 0.14 0.25 -0.04 3.65 4.05 1cg6A1 SER 70 H 0.05 0.05 -0.21 -0.55 8.46 7.81 1cg6A1 SER 70 HA 0.09 0.09 0.42 -0.75 4.49 4.34 1cg6A1 SER 70 HB2 0.03 -0.06 -0.03 -0.04 3.95 3.85 1cg6A1 SER 70 HB3 0.03 0.01 0.03 -0.04 3.93 3.97 1cg6A1 LYS 71 H 0.03 0.31 -0.30 -0.55 8.42 7.90 1cg6A1 LYS 71 HA 0.01 0.21 0.82 -0.75 4.32 4.61 1cg6A1 LYS 71 HB2 -0.00 -0.02 0.03 -0.04 1.87 1.84 1cg6A1 LYS 71 HB3 -0.01 -0.00 0.12 -0.04 1.79 1.86 1cg6A1 LYS 71 HG2 0.02 -0.11 -0.11 -0.04 1.46 1.22 1cg6A1 LYS 71 HG3 0.01 -0.05 0.03 -0.04 1.46 1.41 1cg6A1 LYS 71 HD2 0.01 0.01 0.03 -0.04 1.69 1.69 1cg6A1 LYS 71 HD3 0.01 0.10 -0.07 -0.04 1.68 1.68 1cg6A1 LYS 71 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.90 1cg6A1 LYS 71 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 1cg6A1 VAL 72 H -0.07 0.28 -0.25 -0.55 8.24 7.65 1cg6A1 VAL 72 HA -0.23 0.02 0.45 -0.75 4.13 3.62 1cg6A1 VAL 72 HB -0.88 0.10 0.08 -0.04 2.12 1.38 1cg6A1 VAL 72 HG13 -0.74 -0.03 -0.18 -0.04 0.97 -0.03 1cg6A1 VAL 72 HG23 -0.28 0.02 -0.14 -0.04 0.95 0.50 1cg6A1 ASN 73 H -0.19 0.16 0.10 -0.55 8.53 8.06 1cg6A1 ASN 73 HA -0.06 0.18 0.68 -0.75 4.76 4.82 1cg6A1 ASN 73 HB2 -0.04 0.14 0.12 -0.04 2.88 3.06 1cg6A1 ASN 73 HB3 -0.05 -0.05 0.19 -0.04 2.79 2.83 1cg6A1 ASN 73 HD21 0.05 0.40 0.05 -0.04 7.03 7.48 1cg6A1 ASN 73 HD22 0.01 0.06 0.03 -0.04 7.74 7.79 1cg6A1 TYR 74 H -0.07 0.53 -0.14 -0.55 8.29 8.07 1cg6A1 TYR 74 HA -0.06 0.02 0.26 -0.75 4.56 4.02 1cg6A1 TYR 74 HB2 -0.13 0.09 -0.02 -0.04 3.06 2.95 1cg6A1 TYR 74 HB3 -0.13 -0.03 -0.15 -0.04 2.98 2.63 1cg6A1 TYR 74 HD2 -0.08 0.01 -0.01 -0.04 7.15 7.03 1cg6A1 TYR 74 HE2 -0.06 0.09 0.03 -0.04 6.85 6.87 1cg6A1 GLN 75 H -0.02 0.17 -0.24 -0.55 8.47 7.83 1cg6A1 GLN 75 HA -0.22 0.09 0.27 -0.75 4.36 3.74 1cg6A1 GLN 75 HB2 -0.10 0.01 0.01 -0.04 2.15 2.03 1cg6A1 GLN 75 HB3 -0.61 0.02 -0.11 -0.04 2.02 1.28 1cg6A1 GLN 75 HG2 -0.68 0.00 -0.19 -0.04 2.40 1.49 1cg6A1 GLN 75 HG3 -0.25 0.01 -0.10 -0.04 2.39 2.00 1cg6A1 GLN 75 HE21 0.04 -0.03 0.01 -0.04 6.97 6.95 1cg6A1 GLN 75 HE22 -0.27 0.24 -0.07 -0.04 7.69 7.55 1cg6A1 ALA 76 H 0.04 0.15 -0.32 -0.55 8.40 7.72 1cg6A1 ALA 76 HA 0.18 -0.00 0.24 -0.75 4.34 4.01 1cg6A1 ALA 76 HB3 0.07 0.06 -0.37 -0.04 1.41 1.13 1cg6A1 ASN 77 H 0.03 0.50 -0.24 -0.55 8.53 8.26 1cg6A1 ASN 77 HA 0.04 0.01 0.34 -0.75 4.76 4.40 1cg6A1 ASN 77 HB2 -0.00 0.08 0.06 -0.04 2.88 2.98 1cg6A1 ASN 77 HB3 0.01 -0.01 -0.10 -0.04 2.79 2.65 1cg6A1 ASN 77 HD21 -0.18 0.03 -0.03 -0.04 7.03 6.80 1cg6A1 ASN 77 HD22 -0.17 0.01 -0.12 -0.04 7.74 7.42 1cg6A1 ILE 78 H 0.12 0.55 -0.16 -0.55 8.25 8.21 1cg6A1 ILE 78 HA 0.10 0.03 0.34 -0.75 4.18 3.89 1cg6A1 ILE 78 HB 0.27 0.07 0.02 -0.04 1.89 2.21 1cg6A1 ILE 78 HG12 0.08 0.04 -0.00 -0.04 1.49 1.57 1cg6A1 ILE 78 HG13 0.01 -0.02 -0.10 -0.04 1.21 1.06 1cg6A1 ILE 78 HG23 0.19 0.01 -0.32 -0.04 0.93 0.77 1cg6A1 ILE 78 HD13 0.09 -0.01 -0.12 -0.04 0.88 0.80 1cg6A1 TRP 79 H 0.39 0.54 -0.21 -0.55 7.97 8.14 1cg6A1 TRP 79 HA -0.12 0.06 0.32 -0.75 4.62 4.13 1cg6A1 TRP 79 HB2 -0.01 0.08 0.07 -0.04 3.23 3.32 1cg6A1 TRP 79 HB3 0.07 0.01 0.07 -0.04 3.23 3.33 1cg6A1 TRP 79 HD1 0.01 0.05 -0.19 -0.04 7.22 7.05 1cg6A1 TRP 79 HE1 -0.03 0.02 0.01 -0.04 10.20 10.17 1cg6A1 TRP 79 HE3 -1.38 0.01 -0.05 -0.04 7.59 6.12 1cg6A1 TRP 79 HZ2 -0.07 -0.01 -0.01 -0.04 7.44 7.31 1cg6A1 TRP 79 HZ3 -0.59 0.02 -0.11 -0.04 7.13 6.41 1cg6A1 TRP 79 HH2 -0.14 0.09 -0.12 -0.04 7.19 6.97 1cg6A1 ALA 80 H 0.23 0.58 -0.22 -0.55 8.40 8.44 1cg6A1 ALA 80 HA 0.13 0.03 0.37 -0.75 4.34 4.11 1cg6A1 ALA 80 HB3 0.09 0.01 0.02 -0.04 1.41 1.49 1cg6A1 LEU 81 H 0.03 0.41 -0.25 -0.55 8.37 8.01 1cg6A1 LEU 81 HA -0.02 0.02 0.39 -0.75 4.35 3.99 1cg6A1 LEU 81 HB2 0.01 0.13 0.08 -0.04 1.64 1.81 1cg6A1 LEU 81 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 1cg6A1 LEU 81 HG 0.02 0.18 0.00 -0.04 1.64 1.81 1cg6A1 LEU 81 HD13 0.03 -0.04 -0.15 -0.04 0.93 0.73 1cg6A1 LEU 81 HD23 -0.01 -0.02 -0.11 -0.04 0.89 0.71 1cg6A1 LYS 82 H -0.10 0.51 -0.15 -0.55 8.42 8.12 1cg6A1 LYS 82 HA -0.14 0.15 0.41 -0.75 4.32 3.98 1cg6A1 LYS 82 HB2 -0.20 0.00 0.07 -0.04 1.87 1.70 1cg6A1 LYS 82 HB3 -0.46 0.05 0.16 -0.04 1.79 1.50 1cg6A1 LYS 82 HG2 -0.51 -0.05 -0.01 -0.04 1.46 0.84 1cg6A1 LYS 82 HG3 -0.41 -0.03 -0.19 -0.04 1.46 0.78 1cg6A1 LYS 82 HD2 -0.17 0.02 0.05 -0.04 1.69 1.55 1cg6A1 LYS 82 HD3 -0.17 0.03 0.00 -0.04 1.68 1.50 1cg6A1 LYS 82 HE2 -0.22 -0.02 0.04 -0.04 2.99 2.76 1cg6A1 LYS 82 HE3 -0.20 -0.11 -0.01 -0.04 2.99 2.62 1cg6A1 GLU 83 H -0.26 0.52 -0.18 -0.55 8.60 8.13 1cg6A1 GLU 83 HA -0.22 0.03 0.37 -0.75 4.29 3.71 1cg6A1 GLU 83 HB2 -0.28 0.04 0.12 -0.04 2.09 1.93 1cg6A1 GLU 83 HB3 -0.05 0.09 0.10 -0.04 1.99 2.08 1cg6A1 GLU 83 HG2 0.06 -0.05 0.01 -0.04 2.34 2.32 1cg6A1 GLU 83 HG3 -0.02 0.00 -0.04 -0.04 2.34 2.24 1cg6A1 GLU 84 H -0.07 0.29 -0.43 -0.55 8.60 7.84 1cg6A1 GLU 84 HA -0.03 0.05 0.53 -0.75 4.29 4.08 1cg6A1 GLU 84 HB2 -0.02 0.07 0.08 -0.04 2.09 2.17 1cg6A1 GLU 84 HB3 -0.04 0.04 0.03 -0.04 1.99 1.98 1cg6A1 GLU 84 HG2 -0.02 -0.08 -0.05 -0.04 2.34 2.15 1cg6A1 GLU 84 HG3 -0.03 0.01 0.02 -0.04 2.34 2.31 1cg6A1 GLY 85 H -0.09 0.37 -0.51 -0.55 8.43 7.66 1cg6A1 GLY 85 HA2 -0.07 0.05 0.21 -0.51 4.01 3.70 1cg6A1 GLY 85 HA3 -0.04 0.10 0.73 -0.51 4.01 4.29 1cg6A1 CYS 86 H -0.06 0.40 0.02 -0.55 8.50 8.32 1cg6A1 CYS 86 HA -0.03 0.03 0.41 -0.75 4.58 4.23 1cg6A1 CYS 86 HB2 -0.04 -0.02 -0.15 -0.04 2.97 2.72 1cg6A1 CYS 86 HB3 -0.03 0.06 -0.02 -0.04 2.97 2.94 1cg6A1 THR 87 H -0.01 0.34 0.48 -0.55 8.28 8.54 1cg6A1 THR 87 HA -0.09 0.22 0.82 -0.75 4.39 4.59 1cg6A1 THR 87 HB -0.09 -0.06 0.13 -0.04 4.32 4.25 1cg6A1 THR 87 HG23 -0.01 0.10 0.10 -0.04 1.22 1.37 1cg6A1 HIS 88 H 0.04 0.35 0.34 -0.55 8.41 8.60 1cg6A1 HIS 88 HA -0.12 0.23 0.98 -0.75 4.63 4.97 1cg6A1 HIS 88 HB2 -0.22 -0.06 0.02 -0.04 3.26 2.97 1cg6A1 HIS 88 HB3 -0.21 0.01 0.00 -0.04 3.20 2.95 1cg6A1 HIS 88 HD2 -0.60 -0.06 -0.06 -0.04 6.97 6.21 1cg6A1 HIS 88 HE1 -0.86 0.03 -0.08 -0.04 7.75 6.79 1cg6A1 VAL 89 H 0.01 0.73 0.25 -0.55 8.24 8.69 1cg6A1 VAL 89 HA -0.01 0.27 0.85 -0.75 4.13 4.48 1cg6A1 VAL 89 HB 0.15 -0.02 -0.02 -0.04 2.12 2.20 1cg6A1 VAL 89 HG13 0.06 -0.03 -0.25 -0.04 0.97 0.72 1cg6A1 VAL 89 HG23 0.04 -0.01 -0.28 -0.04 0.95 0.66 1cg6A1 ILE 90 H -0.06 0.69 0.28 -0.55 8.25 8.61 1cg6A1 ILE 90 HA -0.17 0.22 0.99 -0.75 4.18 4.46 1cg6A1 ILE 90 HB -0.06 0.01 0.09 -0.04 1.89 1.89 1cg6A1 ILE 90 HG12 -0.06 -0.01 -0.12 -0.04 1.49 1.27 1cg6A1 ILE 90 HG13 -0.06 -0.04 -0.22 -0.04 1.21 0.84 1cg6A1 ILE 90 HG23 -0.06 -0.00 -0.14 -0.04 0.93 0.68 1cg6A1 ILE 90 HD13 -0.07 0.00 -0.11 -0.04 0.88 0.67 1cg6A1 VAL 91 H -0.21 0.47 0.32 -0.55 8.24 8.28 1cg6A1 VAL 91 HA -0.04 0.23 1.16 -0.75 4.13 4.72 1cg6A1 VAL 91 HB 0.01 0.11 0.14 -0.04 2.12 2.34 1cg6A1 VAL 91 HG13 -0.07 -0.01 -0.22 -0.04 0.97 0.64 1cg6A1 VAL 91 HG23 -0.03 -0.00 -0.21 -0.04 0.95 0.67 1cg6A1 THR 92 H 0.01 0.53 0.38 -0.55 8.28 8.65 1cg6A1 THR 92 HA 0.00 0.35 1.04 -0.75 4.39 5.02 1cg6A1 THR 92 HB 0.02 0.01 0.08 -0.04 4.32 4.40 1cg6A1 THR 92 HG23 -0.00 0.02 -0.09 -0.04 1.22 1.11 1cg6A1 THR 93 H 0.03 0.60 0.29 -0.55 8.28 8.65 1cg6A1 THR 93 HA 0.08 -0.03 0.67 -0.75 4.39 4.35 1cg6A1 THR 93 HB 0.08 0.09 -0.21 -0.04 4.32 4.24 1cg6A1 THR 93 HG23 0.05 -0.01 -0.23 -0.04 1.22 0.99 1cg6A1 ALA 94 H 0.08 0.02 0.20 -0.55 8.40 8.15 1cg6A1 ALA 94 HA 0.04 0.31 0.81 -0.75 4.34 4.74 1cg6A1 ALA 94 HB3 0.05 0.01 0.12 -0.04 1.41 1.55 1cg6A1 CYS 95 H 0.03 0.55 0.33 -0.55 8.50 8.86 1cg6A1 CYS 95 HA 0.06 0.14 0.75 -0.75 4.58 4.78 1cg6A1 CYS 95 HB2 0.03 -0.00 -0.03 -0.04 2.97 2.93 1cg6A1 CYS 95 HB3 0.04 -0.01 -0.43 -0.04 2.97 2.52 1cg6A1 GLY 96 H 0.06 0.66 0.41 -0.55 8.43 9.01 1cg6A1 GLY 96 HA2 0.01 0.09 0.95 -0.51 4.01 4.55 1cg6A1 GLY 96 HA3 0.07 -0.03 0.35 -0.51 4.01 3.89 1cg6A1 SER 97 H 0.01 0.71 0.42 -0.55 8.46 9.06 1cg6A1 SER 97 HA 0.04 0.14 0.99 -0.75 4.49 4.90 1cg6A1 SER 97 HB2 -0.10 -0.05 0.03 -0.04 3.95 3.79 1cg6A1 SER 97 HB3 -0.21 0.03 0.21 -0.04 3.93 3.92 1cg6A1 LEU 98 H 0.05 0.71 0.24 -0.55 8.37 8.82 1cg6A1 LEU 98 HA -0.05 0.11 0.72 -0.75 4.35 4.38 1cg6A1 LEU 98 HB2 -0.11 0.09 -0.27 -0.04 1.64 1.31 1cg6A1 LEU 98 HB3 -0.33 0.02 0.04 -0.04 1.64 1.33 1cg6A1 LEU 98 HG 0.04 -0.08 -0.51 -0.04 1.64 1.04 1cg6A1 LEU 98 HD13 -0.00 -0.02 -0.39 -0.04 0.93 0.47 1cg6A1 LEU 98 HD23 0.07 0.02 -0.18 -0.04 0.89 0.76 1cg6A1 ARG 99 H 0.19 0.19 -0.05 -0.55 8.46 8.24 1cg6A1 ARG 99 HA -0.14 0.18 0.85 -0.75 4.34 4.47 1cg6A1 ARG 99 HB2 -0.01 -0.04 0.08 -0.04 1.90 1.89 1cg6A1 ARG 99 HB3 0.01 -0.07 0.03 -0.04 1.80 1.72 1cg6A1 ARG 99 HG2 -0.09 -0.00 -0.25 -0.04 1.67 1.29 1cg6A1 ARG 99 HG3 -0.06 -0.03 -0.01 -0.04 1.67 1.53 1cg6A1 ARG 99 HD2 -0.07 -0.06 0.03 -0.04 3.22 3.08 1cg6A1 ARG 99 HD3 -0.19 0.09 0.19 -0.04 3.22 3.26 1cg6A1 GLU 100 H 0.22 0.18 0.09 -0.55 8.60 8.54 1cg6A1 GLU 100 HA 0.39 0.11 0.30 -0.75 4.29 4.33 1cg6A1 GLU 100 HB2 0.30 0.02 0.10 -0.04 2.09 2.48 1cg6A1 GLU 100 HB3 0.16 -0.04 0.11 -0.04 1.99 2.18 1cg6A1 GLU 100 HG2 0.09 0.00 -0.03 -0.04 2.34 2.37 1cg6A1 GLU 100 HG3 0.12 0.03 -0.23 -0.04 2.34 2.22 1cg6A1 GLU 101 H 0.13 0.03 -0.19 -0.55 8.60 8.03 1cg6A1 GLU 101 HA 0.15 0.11 0.33 -0.75 4.29 4.12 1cg6A1 GLU 101 HB2 0.16 0.04 0.06 -0.04 2.09 2.31 1cg6A1 GLU 101 HB3 0.11 -0.02 0.04 -0.04 1.99 2.08 1cg6A1 GLU 101 HG2 0.03 0.04 -0.24 -0.04 2.34 2.13 1cg6A1 GLU 101 HG3 0.12 0.02 -0.07 -0.04 2.34 2.37 1cg6A1 ILE 102 H 0.10 0.26 -0.53 -0.55 8.25 7.53 1cg6A1 ILE 102 HA -0.09 0.10 0.70 -0.75 4.18 4.13 1cg6A1 ILE 102 HB -0.04 -0.01 0.18 -0.04 1.89 1.97 1cg6A1 ILE 102 HG12 -1.02 0.06 -0.10 -0.04 1.49 0.38 1cg6A1 ILE 102 HG13 -0.23 -0.10 -0.10 -0.04 1.21 0.73 1cg6A1 ILE 102 HG23 -0.14 -0.01 -0.16 -0.04 0.93 0.58 1cg6A1 ILE 102 HD13 -0.18 0.01 -0.05 -0.04 0.88 0.62 1cg6A1 GLN 103 H 0.11 0.19 0.02 -0.55 8.47 8.24 1cg6A1 GLN 103 HA -0.14 0.16 0.60 -0.75 4.36 4.23 1cg6A1 GLN 103 HB2 0.05 -0.03 0.01 -0.04 2.15 2.14 1cg6A1 GLN 103 HB3 0.04 0.05 0.03 -0.04 2.02 2.11 1cg6A1 GLN 103 HG2 0.19 0.04 -0.06 -0.04 2.40 2.53 1cg6A1 GLN 103 HG3 0.14 0.06 -0.14 -0.04 2.39 2.41 1cg6A1 GLN 103 HE21 0.07 -0.04 -0.01 -0.04 6.97 6.95 1cg6A1 GLN 103 HE22 0.11 0.01 -0.03 -0.04 7.69 7.74 1cg6A1 PRO 104 HA -0.13 -0.00 0.17 -0.51 4.44 3.97 1cg6A1 PRO 104 HB2 -0.07 0.04 0.01 -0.04 2.28 2.22 1cg6A1 PRO 104 HB3 -0.10 0.07 -0.21 -0.04 2.02 1.74 1cg6A1 PRO 104 HG2 -0.14 0.02 -0.03 -0.04 2.03 1.84 1cg6A1 PRO 104 HG3 -0.40 -0.10 -0.18 -0.04 2.03 1.31 1cg6A1 PRO 104 HD2 -0.08 0.11 0.14 -0.04 3.68 3.80 1cg6A1 PRO 104 HD3 -0.78 0.19 0.13 -0.04 3.65 3.14 1cg6A1 GLY 105 H -0.04 0.76 0.29 -0.55 8.43 8.90 1cg6A1 GLY 105 HA2 -0.01 -0.02 0.37 -0.51 4.01 3.84 1cg6A1 GLY 105 HA3 -0.01 0.13 0.75 -0.51 4.01 4.37 1cg6A1 ASP 106 H -0.00 0.49 -0.17 -0.55 8.40 8.17 1cg6A1 ASP 106 HA 0.04 0.13 0.54 -0.75 4.63 4.59 1cg6A1 ASP 106 HB2 0.07 0.04 0.04 -0.04 2.71 2.81 1cg6A1 ASP 106 HB3 0.23 0.02 -0.07 -0.04 2.70 2.84 1cg6A1 ILE 107 H 0.06 0.48 0.31 -0.55 8.25 8.55 1cg6A1 ILE 107 HA 0.03 0.27 0.96 -0.75 4.18 4.68 1cg6A1 ILE 107 HB 0.02 0.05 0.15 -0.04 1.89 2.07 1cg6A1 ILE 107 HG12 0.01 -0.03 -0.11 -0.04 1.49 1.33 1cg6A1 ILE 107 HG13 0.01 0.08 -0.11 -0.04 1.21 1.16 1cg6A1 ILE 107 HG23 0.01 -0.02 -0.16 -0.04 0.93 0.71 1cg6A1 ILE 107 HD13 0.00 -0.02 -0.12 -0.04 0.88 0.70 1cg6A1 VAL 108 H 0.02 0.69 0.28 -0.55 8.24 8.68 1cg6A1 VAL 108 HA 0.09 0.13 0.89 -0.75 4.13 4.49 1cg6A1 VAL 108 HB -0.01 -0.09 -0.00 -0.04 2.12 1.97 1cg6A1 VAL 108 HG13 -0.02 -0.00 -0.32 -0.04 0.97 0.59 1cg6A1 VAL 108 HG23 -0.03 0.01 -0.29 -0.04 0.95 0.60 1cg6A1 ILE 109 H 0.02 0.68 0.05 -0.55 8.25 8.45 1cg6A1 ILE 109 HA -0.06 0.20 0.81 -0.75 4.18 4.37 1cg6A1 ILE 109 HB -0.01 0.07 0.13 -0.04 1.89 2.03 1cg6A1 ILE 109 HG12 0.00 0.01 -0.13 -0.04 1.49 1.34 1cg6A1 ILE 109 HG13 -0.00 -0.00 -0.14 -0.04 1.21 1.02 1cg6A1 ILE 109 HG23 -0.03 0.02 -0.01 -0.04 0.93 0.88 1cg6A1 ILE 109 HD13 -0.01 -0.01 -0.17 -0.04 0.88 0.65 1cg6A1 ILE 110 H -0.15 0.23 -0.08 -0.55 8.25 7.70 1cg6A1 ILE 110 HA -0.14 -0.04 0.24 -0.75 4.18 3.49 1cg6A1 ILE 110 HB -0.24 0.07 0.04 -0.04 1.89 1.72 1cg6A1 ILE 110 HG12 -0.23 0.09 0.01 -0.04 1.49 1.33 1cg6A1 ILE 110 HG13 -0.93 0.01 -0.10 -0.04 1.21 0.15 1cg6A1 ILE 110 HG23 -0.06 -0.02 -0.22 -0.04 0.93 0.59 1cg6A1 ILE 110 HD13 0.05 -0.02 -0.14 -0.04 0.88 0.73 1cg6A1 ASP 111 H -0.11 0.28 0.37 -0.55 8.40 8.39 1cg6A1 ASP 111 HA -0.12 0.20 0.93 -0.75 4.63 4.89 1cg6A1 ASP 111 HB2 0.07 0.03 0.17 -0.04 2.71 2.94 1cg6A1 ASP 111 HB3 -0.01 0.14 0.01 -0.04 2.70 2.79 1cg6A1 GLN 112 H 0.05 0.27 0.33 -0.55 8.47 8.58 1cg6A1 GLN 112 HA 0.24 0.24 0.74 -0.75 4.36 4.83 1cg6A1 GLN 112 HB2 0.05 -0.12 -0.04 -0.04 2.15 2.00 1cg6A1 GLN 112 HB3 -0.00 0.06 0.09 -0.04 2.02 2.13 1cg6A1 GLN 112 HG2 0.06 -0.02 -0.35 -0.04 2.40 2.04 1cg6A1 GLN 112 HG3 0.01 -0.02 -0.03 -0.04 2.39 2.31 1cg6A1 GLN 112 HE21 0.00 0.53 0.31 -0.04 6.97 7.77 1cg6A1 GLN 112 HE22 0.05 -0.11 0.13 -0.04 7.69 7.72 1cg6A1 PHE 113 H -0.20 0.36 0.21 -0.55 8.34 8.16 1cg6A1 PHE 113 HA 0.09 0.12 0.71 -0.75 4.62 4.79 1cg6A1 PHE 113 HB2 0.07 0.01 0.06 -0.04 3.15 3.25 1cg6A1 PHE 113 HB3 0.21 -0.01 -0.20 -0.04 3.06 3.03 1cg6A1 PHE 113 HD2 -0.02 -0.03 -0.37 -0.04 7.28 6.81 1cg6A1 PHE 113 HE2 -0.11 0.03 -0.09 -0.04 7.38 7.17 1cg6A1 PHE 113 HZ -0.09 0.06 -0.06 -0.04 7.32 7.19 1cg6A1 ILE 114 H 0.24 0.59 0.27 -0.55 8.25 8.80 1cg6A1 ILE 114 HA 0.08 0.18 0.76 -0.75 4.18 4.45 1cg6A1 ILE 114 HB 0.13 -0.11 0.03 -0.04 1.89 1.89 1cg6A1 ILE 114 HG12 0.03 0.09 -0.02 -0.04 1.49 1.55 1cg6A1 ILE 114 HG13 0.06 -0.09 -0.48 -0.04 1.21 0.66 1cg6A1 ILE 114 HG23 0.21 0.02 -0.16 -0.04 0.93 0.96 1cg6A1 ILE 114 HD13 0.19 0.02 -0.19 -0.04 0.88 0.86 1cg6A1 ASP 115 H 0.19 0.22 0.09 -0.55 8.40 8.35 1cg6A1 ASP 115 HA 0.09 -0.01 0.74 -0.75 4.63 4.69 1cg6A1 ASP 115 HB2 0.24 0.00 0.07 -0.04 2.71 2.98 1cg6A1 ASP 115 HB3 0.10 0.07 0.15 -0.04 2.70 2.98 1cg6A1 ARG 116 H 0.03 0.43 0.33 -0.55 8.46 8.70 1cg6A1 ARG 116 HA 0.13 0.20 0.70 -0.75 4.34 4.61 1cg6A1 ARG 116 HB2 -0.00 0.07 -0.12 -0.04 1.90 1.81 1cg6A1 ARG 116 HB3 0.11 -0.14 0.18 -0.04 1.80 1.91 1cg6A1 ARG 116 HG2 0.30 0.10 -0.25 -0.04 1.67 1.78 1cg6A1 ARG 116 HG3 0.09 -0.08 -0.11 -0.04 1.67 1.53 1cg6A1 ARG 116 HD2 0.28 0.07 0.09 -0.04 3.22 3.62 1cg6A1 ARG 116 HD3 0.69 0.02 -0.01 -0.04 3.22 3.88 1cg6A1 THR 117 H 0.01 -0.01 0.07 -0.55 8.28 7.80 1cg6A1 THR 117 HA 0.01 0.03 0.58 -0.75 4.39 4.26 1cg6A1 THR 117 HB -0.03 -0.03 0.00 -0.04 4.32 4.22 1cg6A1 THR 117 HG23 -0.06 0.06 -0.24 -0.04 1.22 0.93 1cg6A1 THR 118 H 0.01 -0.02 0.18 -0.55 8.28 7.90 1cg6A1 THR 118 HA 0.02 0.28 0.97 -0.75 4.39 4.90 1cg6A1 THR 118 HB 0.03 0.03 0.02 -0.04 4.32 4.36 1cg6A1 THR 118 HG23 0.05 0.02 -0.23 -0.04 1.22 1.02 1cg6A1 MET 119 H 0.01 0.01 0.14 -0.55 8.47 8.08 1cg6A1 MET 119 HA 0.01 0.28 0.90 -0.75 4.52 4.96 1cg6A1 MET 119 HB2 0.02 0.02 0.18 -0.04 2.15 2.33 1cg6A1 MET 119 HB3 0.02 0.05 0.20 -0.04 2.03 2.26 1cg6A1 MET 119 HG2 0.02 0.07 -0.11 -0.04 2.63 2.57 1cg6A1 MET 119 HG3 0.02 -0.12 -0.04 -0.04 2.56 2.37 1cg6A1 MET 119 HE3 0.02 0.00 0.03 -0.04 2.10 2.11 1cg6A1 ARG 120 H -0.02 0.16 -0.37 -0.55 8.46 7.68 1cg6A1 ARG 120 HA 0.00 0.37 1.18 -0.75 4.34 5.14 1cg6A1 ARG 120 HB2 -0.09 -0.10 -0.09 -0.04 1.90 1.58 1cg6A1 ARG 120 HB3 -0.07 0.10 -0.05 -0.04 1.80 1.74 1cg6A1 ARG 120 HG2 0.04 0.25 -0.11 -0.04 1.67 1.82 1cg6A1 ARG 120 HG3 -0.01 -0.32 -0.29 -0.04 1.67 1.01 1cg6A1 ARG 120 HD2 -0.13 -0.09 -0.10 -0.04 3.22 2.86 1cg6A1 ARG 120 HD3 -0.12 0.09 0.02 -0.04 3.22 3.17 1cg6A1 PRO 121 HA -0.03 0.03 0.48 -0.51 4.44 4.41 1cg6A1 PRO 121 HB2 -0.05 -0.05 0.11 -0.04 2.28 2.26 1cg6A1 PRO 121 HB3 -0.01 0.07 0.09 -0.04 2.02 2.13 1cg6A1 PRO 121 HG2 0.02 0.04 0.10 -0.04 2.03 2.15 1cg6A1 PRO 121 HG3 0.02 0.06 0.05 -0.04 2.03 2.11 1cg6A1 PRO 121 HD2 0.02 0.08 0.25 -0.04 3.68 4.00 1cg6A1 PRO 121 HD3 0.01 0.29 0.24 -0.04 3.65 4.15 1cg6A1 GLN 122 H -0.07 0.15 0.17 -0.55 8.47 8.18 1cg6A1 GLN 122 HA -0.19 0.19 0.88 -0.75 4.36 4.47 1cg6A1 GLN 122 HB2 -0.07 0.04 0.05 -0.04 2.15 2.13 1cg6A1 GLN 122 HB3 -0.13 -0.05 0.14 -0.04 2.02 1.94 1cg6A1 GLN 122 HG2 -0.16 -0.02 -0.28 -0.04 2.40 1.89 1cg6A1 GLN 122 HG3 -0.08 0.25 -0.10 -0.04 2.39 2.41 1cg6A1 GLN 122 HE21 -0.06 -0.06 -0.09 -0.04 6.97 6.72 1cg6A1 GLN 122 HE22 -0.08 0.05 -0.15 -0.04 7.69 7.46 1cg6A1 SER 123 H -0.12 0.17 -0.08 -0.55 8.46 7.88 1cg6A1 SER 123 HA -0.17 0.19 0.71 -0.75 4.49 4.47 1cg6A1 SER 123 HB2 -0.01 0.12 -0.19 -0.04 3.95 3.82 1cg6A1 SER 123 HB3 0.02 0.01 -0.10 -0.04 3.93 3.82 1cg6A1 PHE 124 H 0.11 0.23 0.09 -0.55 8.34 8.21 1cg6A1 PHE 124 HA -0.33 0.09 0.57 -0.75 4.62 4.20 1cg6A1 PHE 124 HB2 -0.00 0.06 0.02 -0.04 3.15 3.19 1cg6A1 PHE 124 HB3 -0.05 0.01 -0.03 -0.04 3.06 2.94 1cg6A1 PHE 124 HD2 -0.70 0.00 -0.05 -0.04 7.28 6.49 1cg6A1 PHE 124 HE2 -0.13 0.18 -0.03 -0.04 7.38 7.36 1cg6A1 PHE 124 HZ 0.03 -0.05 -0.14 -0.04 7.32 7.12 1cg6A1 TYR 125 H 0.43 0.03 -0.13 -0.55 8.29 8.07 1cg6A1 TYR 125 HA 0.16 0.27 0.63 -0.75 4.56 4.86 1cg6A1 TYR 125 HB2 0.03 -0.10 0.17 -0.04 3.06 3.12 1cg6A1 TYR 125 HB3 0.05 0.31 0.04 -0.04 2.98 3.34 1cg6A1 TYR 125 HD2 0.11 -0.07 -0.39 -0.04 7.15 6.75 1cg6A1 TYR 125 HE2 0.11 0.12 -0.11 -0.04 6.85 6.93 1cg6A1 ASP 126 H 0.21 0.39 -0.07 -0.55 8.40 8.38 1cg6A1 ASP 126 HA 0.10 0.20 0.72 -0.75 4.63 4.90 1cg6A1 ASP 126 HB2 0.10 0.01 0.12 -0.04 2.71 2.90 1cg6A1 ASP 126 HB3 0.12 0.02 -0.06 -0.04 2.70 2.74 1cg6A1 GLY 127 H 0.12 0.18 -0.22 -0.55 8.43 7.96 1cg6A1 GLY 127 HA2 0.06 0.02 0.32 -0.51 4.01 3.90 1cg6A1 GLY 127 HA3 0.04 0.09 0.37 -0.51 4.01 4.01 1cg6A1 SER 128 H 0.05 -0.00 -0.17 -0.55 8.46 7.79 1cg6A1 SER 128 HA -0.12 0.18 0.70 -0.75 4.49 4.50 1cg6A1 SER 128 HB2 -0.23 -0.03 0.15 -0.04 3.95 3.80 1cg6A1 SER 128 HB3 -0.08 0.12 -0.17 -0.04 3.93 3.76 1cg6A1 HIS 129 H -0.00 0.19 0.05 -0.55 8.41 8.10 1cg6A1 HIS 129 HA -0.20 0.16 0.82 -0.75 4.63 4.66 1cg6A1 HIS 129 HB2 -0.22 0.07 0.09 -0.04 3.26 3.16 1cg6A1 HIS 129 HB3 -0.46 -0.08 0.00 -0.04 3.20 2.62 1cg6A1 HIS 129 HD2 -0.59 -0.03 0.05 -0.04 6.97 6.35 1cg6A1 HIS 129 HE1 -0.07 -0.01 -0.06 -0.04 7.75 7.57 1cg6A1 SER 130 H -0.07 0.19 0.08 -0.55 8.46 8.12 1cg6A1 SER 130 HA -0.02 0.09 0.29 -0.75 4.49 4.10 1cg6A1 SER 130 HB2 -0.03 0.00 0.02 -0.04 3.95 3.90 1cg6A1 SER 130 HB3 -0.01 0.05 0.02 -0.04 3.93 3.95 1cg6A1 CYS 131 H -0.06 0.02 -0.20 -0.55 8.50 7.71 1cg6A1 CYS 131 HA 0.07 0.11 0.39 -0.75 4.58 4.40 1cg6A1 CYS 131 HB2 0.44 0.08 0.02 -0.04 2.97 3.46 1cg6A1 CYS 131 HB3 0.09 -0.02 0.06 -0.04 2.97 3.06 1cg6A1 ALA 132 H -0.04 0.23 -0.52 -0.55 8.40 7.52 1cg6A1 ALA 132 HA -0.19 0.20 0.73 -0.75 4.34 4.32 1cg6A1 ALA 132 HB3 -0.57 0.00 -0.14 -0.04 1.41 0.66 1cg6A1 ARG 133 H 0.09 0.21 -0.02 -0.55 8.46 8.19 1cg6A1 ARG 133 HA 0.11 0.10 0.95 -0.75 4.34 4.75 1cg6A1 ARG 133 HB2 0.07 -0.05 0.04 -0.04 1.90 1.92 1cg6A1 ARG 133 HB3 0.05 0.05 -0.01 -0.04 1.80 1.85 1cg6A1 ARG 133 HG2 0.09 0.04 0.05 -0.04 1.67 1.80 1cg6A1 ARG 133 HG3 0.10 0.01 -0.10 -0.04 1.67 1.64 1cg6A1 ARG 133 HD2 0.05 -0.01 -0.02 -0.04 3.22 3.21 1cg6A1 ARG 133 HD3 0.05 -0.04 -0.02 -0.04 3.22 3.16 1cg6A1 GLY 134 H 0.13 0.06 0.17 -0.55 8.43 8.26 1cg6A1 GLY 134 HA2 0.08 0.01 0.37 -0.51 4.01 3.96 1cg6A1 GLY 134 HA3 0.11 0.25 0.80 -0.51 4.01 4.65 1cg6A1 VAL 135 H -0.02 0.51 0.29 -0.55 8.24 8.47 1cg6A1 VAL 135 HA -0.04 0.18 0.94 -0.75 4.13 4.45 1cg6A1 VAL 135 HB -0.06 -0.01 0.17 -0.04 2.12 2.18 1cg6A1 VAL 135 HG13 -0.32 0.00 -0.16 -0.04 0.97 0.45 1cg6A1 VAL 135 HG23 0.01 -0.01 -0.09 -0.04 0.95 0.82 1cg6A1 CYS 136 H -0.21 0.18 0.14 -0.55 8.50 8.06 1cg6A1 CYS 136 HA -0.33 0.45 1.08 -0.75 4.58 5.03 1cg6A1 CYS 136 HB2 -1.17 0.02 -0.13 -0.04 2.97 1.66 1cg6A1 CYS 136 HB3 -0.28 -0.14 0.12 -0.04 2.97 2.63 1cg6A1 HIS 137 H -0.10 0.71 0.19 -0.55 8.41 8.67 1cg6A1 HIS 137 HA -0.03 0.09 0.83 -0.75 4.63 4.77 1cg6A1 HIS 137 HB2 -0.03 0.07 0.21 -0.04 3.26 3.48 1cg6A1 HIS 137 HB3 -0.02 -0.03 0.07 -0.04 3.20 3.18 1cg6A1 HIS 137 HD2 -0.02 0.05 -0.04 -0.04 6.97 6.92 1cg6A1 HIS 137 HE1 -0.00 -0.03 -0.06 -0.04 7.75 7.61 1cg6A1 ILE 138 H 0.00 0.12 -0.10 -0.55 8.25 7.72 1cg6A1 ILE 138 HA 0.00 0.20 0.52 -0.75 4.18 4.15 1cg6A1 ILE 138 HB -0.02 -0.05 0.01 -0.04 1.89 1.79 1cg6A1 ILE 138 HG12 -0.02 -0.08 -0.17 -0.04 1.49 1.19 1cg6A1 ILE 138 HG13 -0.01 0.17 -0.06 -0.04 1.21 1.27 1cg6A1 ILE 138 HG23 -0.01 -0.00 -0.07 -0.04 0.93 0.80 1cg6A1 ILE 138 HD13 -0.01 0.03 -0.10 -0.04 0.88 0.75 1cg6A1 PRO 139 HA 0.00 0.01 0.53 -0.51 4.44 4.48 1cg6A1 PRO 139 HB2 0.00 0.00 0.03 -0.04 2.28 2.27 1cg6A1 PRO 139 HB3 0.00 -0.05 0.10 -0.04 2.02 2.04 1cg6A1 PRO 139 HG2 0.02 0.04 0.08 -0.04 2.03 2.13 1cg6A1 PRO 139 HG3 0.02 0.08 0.09 -0.04 2.03 2.18 1cg6A1 PRO 139 HD2 0.00 0.10 0.16 -0.04 3.68 3.90 1cg6A1 PRO 139 HD3 0.01 0.27 0.28 -0.04 3.65 4.17 1cg6A1 MET 140 H -0.02 0.09 0.14 -0.55 8.47 8.13 1cg6A1 MET 140 HA -0.01 0.27 0.75 -0.75 4.52 4.77 1cg6A1 MET 140 HB2 -0.02 -0.00 0.02 -0.04 2.15 2.10 1cg6A1 MET 140 HB3 -0.05 -0.04 0.12 -0.04 2.03 2.01 1cg6A1 MET 140 HG2 0.03 0.17 -0.49 -0.04 2.63 2.29 1cg6A1 MET 140 HG3 0.11 -0.05 -0.09 -0.04 2.56 2.49 1cg6A1 MET 140 HE3 -0.04 0.11 -0.05 -0.04 2.10 2.08 1cg6A1 ALA 141 H -0.02 0.08 -0.00 -0.55 8.40 7.91 1cg6A1 ALA 141 HA -0.05 0.06 0.41 -0.75 4.34 4.01 1cg6A1 ALA 141 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 1cg6A1 GLU 142 H 0.00 0.09 -0.31 -0.55 8.60 7.83 1cg6A1 GLU 142 HA 0.06 0.22 0.81 -0.75 4.29 4.63 1cg6A1 GLU 142 HB2 0.04 -0.06 0.09 -0.04 2.09 2.11 1cg6A1 GLU 142 HB3 0.07 0.07 0.11 -0.04 1.99 2.20 1cg6A1 GLU 142 HG2 0.03 0.06 -0.20 -0.04 2.34 2.19 1cg6A1 GLU 142 HG3 0.04 -0.05 -0.03 -0.04 2.34 2.26 1cg6A1 PRO 143 HA -0.08 0.10 0.32 -0.51 4.44 4.28 1cg6A1 PRO 143 HB2 -0.55 -0.04 -0.16 -0.04 2.28 1.49 1cg6A1 PRO 143 HB3 0.02 -0.05 -0.03 -0.04 2.02 1.92 1cg6A1 PRO 143 HG2 -0.02 -0.14 0.02 -0.04 2.03 1.85 1cg6A1 PRO 143 HG3 -0.08 0.25 0.03 -0.04 2.03 2.19 1cg6A1 PRO 143 HD2 0.20 0.23 0.17 -0.04 3.68 4.23 1cg6A1 PRO 143 HD3 0.01 0.34 -0.19 -0.04 3.65 3.77 1cg6A1 PHE 144 H 0.29 0.16 -0.18 -0.55 8.34 8.06 1cg6A1 PHE 144 HA 0.18 0.25 0.97 -0.75 4.62 5.27 1cg6A1 PHE 144 HB2 0.10 0.01 0.03 -0.04 3.15 3.25 1cg6A1 PHE 144 HB3 0.12 0.00 0.09 -0.04 3.06 3.23 1cg6A1 PHE 144 HD2 0.19 0.08 -0.21 -0.04 7.28 7.29 1cg6A1 PHE 144 HE2 0.28 -0.08 -0.39 -0.04 7.38 7.15 1cg6A1 PHE 144 HZ 0.19 -0.09 -0.26 -0.04 7.32 7.12 1cg6A1 CYS 145 H 0.24 0.60 0.28 -0.55 8.50 9.08 1cg6A1 CYS 145 HA 0.15 0.16 0.45 -0.75 4.58 4.59 1cg6A1 CYS 145 HB2 0.12 0.02 0.16 -0.04 2.97 3.23 1cg6A1 CYS 145 HB3 0.16 0.01 0.04 -0.04 2.97 3.13 1cg6A1 PRO 146 HA 0.11 0.11 0.47 -0.51 4.44 4.62 1cg6A1 PRO 146 HB2 0.07 0.01 0.02 -0.04 2.28 2.34 1cg6A1 PRO 146 HB3 0.08 0.09 0.14 -0.04 2.02 2.30 1cg6A1 PRO 146 HG2 0.10 -0.08 0.14 -0.04 2.03 2.15 1cg6A1 PRO 146 HG3 0.08 0.08 0.11 -0.04 2.03 2.26 1cg6A1 PRO 146 HD2 0.12 0.05 0.27 -0.04 3.68 4.08 1cg6A1 PRO 146 HD3 0.12 0.39 0.30 -0.04 3.65 4.42 1cg6A1 LYS 147 H 0.19 0.15 -0.13 -0.55 8.42 8.08 1cg6A1 LYS 147 HA 0.10 0.11 0.45 -0.75 4.32 4.22 1cg6A1 LYS 147 HB2 0.38 -0.02 0.08 -0.04 1.87 2.27 1cg6A1 LYS 147 HB3 0.08 0.07 -0.04 -0.04 1.79 1.85 1cg6A1 LYS 147 HG2 -0.15 0.03 0.03 -0.04 1.46 1.33 1cg6A1 LYS 147 HG3 -0.09 0.03 0.03 -0.04 1.46 1.40 1cg6A1 LYS 147 HD2 0.00 0.04 -0.01 -0.04 1.69 1.69 1cg6A1 LYS 147 HD3 0.07 -0.12 -0.06 -0.04 1.68 1.52 1cg6A1 LYS 147 HE2 0.07 0.00 0.03 -0.04 2.99 3.05 1cg6A1 LYS 147 HE3 0.07 0.05 0.03 -0.04 2.99 3.10 1cg6A1 THR 148 H 0.32 0.11 -0.22 -0.55 8.28 7.94 1cg6A1 THR 148 HA 0.31 0.09 0.38 -0.75 4.39 4.41 1cg6A1 THR 148 HB 0.14 0.10 -0.04 -0.04 4.32 4.48 1cg6A1 THR 148 HG23 0.04 0.01 -0.15 -0.04 1.22 1.08 1cg6A1 ARG 149 H 0.14 0.50 -0.20 -0.55 8.46 8.34 1cg6A1 ARG 149 HA 0.05 -0.01 0.36 -0.75 4.34 3.99 1cg6A1 ARG 149 HB2 0.08 0.08 0.10 -0.04 1.90 2.13 1cg6A1 ARG 149 HB3 0.04 0.04 0.01 -0.04 1.80 1.84 1cg6A1 ARG 149 HG2 0.03 -0.11 -0.01 -0.04 1.67 1.54 1cg6A1 ARG 149 HG3 0.13 0.19 -0.02 -0.04 1.67 1.92 1cg6A1 ARG 149 HD2 0.09 -0.03 -0.05 -0.04 3.22 3.20 1cg6A1 ARG 149 HD3 0.12 -0.01 -0.20 -0.04 3.22 3.09 1cg6A1 GLU 150 H 0.10 0.43 -0.30 -0.55 8.60 8.28 1cg6A1 GLU 150 HA 0.04 0.01 0.38 -0.75 4.29 3.97 1cg6A1 GLU 150 HB2 0.05 0.12 0.17 -0.04 2.09 2.39 1cg6A1 GLU 150 HB3 0.06 0.14 0.16 -0.04 1.99 2.31 1cg6A1 GLU 150 HG2 0.03 -0.02 -0.10 -0.04 2.34 2.20 1cg6A1 GLU 150 HG3 0.02 -0.03 0.05 -0.04 2.34 2.35 1cg6A1 VAL 151 H 0.11 0.41 -0.20 -0.55 8.24 8.02 1cg6A1 VAL 151 HA 0.05 0.02 0.43 -0.75 4.13 3.88 1cg6A1 VAL 151 HB 0.13 0.08 0.08 -0.04 2.12 2.37 1cg6A1 VAL 151 HG13 0.07 -0.01 -0.09 -0.04 0.97 0.91 1cg6A1 VAL 151 HG23 0.17 0.06 0.00 -0.04 0.95 1.14 1cg6A1 LEU 152 H 0.06 0.51 -0.18 -0.55 8.37 8.21 1cg6A1 LEU 152 HA 0.02 0.03 0.41 -0.75 4.35 4.05 1cg6A1 LEU 152 HB2 0.02 0.14 0.13 -0.04 1.64 1.88 1cg6A1 LEU 152 HB3 0.01 -0.06 -0.08 -0.04 1.64 1.47 1cg6A1 LEU 152 HG 0.02 0.08 -0.05 -0.04 1.64 1.65 1cg6A1 LEU 152 HD13 -0.01 -0.02 -0.19 -0.04 0.93 0.67 1cg6A1 LEU 152 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 1cg6A1 ILE 153 H 0.03 0.59 -0.15 -0.55 8.25 8.17 1cg6A1 ILE 153 HA 0.00 0.01 0.36 -0.75 4.18 3.80 1cg6A1 ILE 153 HB 0.02 0.11 0.16 -0.04 1.89 2.14 1cg6A1 ILE 153 HG12 0.01 -0.08 -0.03 -0.04 1.49 1.35 1cg6A1 ILE 153 HG13 0.01 0.08 0.06 -0.04 1.21 1.32 1cg6A1 ILE 153 HG23 0.00 -0.02 -0.15 -0.04 0.93 0.73 1cg6A1 ILE 153 HD13 0.02 0.02 0.00 -0.04 0.88 0.88 1cg6A1 GLU 154 H 0.02 0.55 -0.09 -0.55 8.60 8.53 1cg6A1 GLU 154 HA 0.01 0.02 0.44 -0.75 4.29 4.00 1cg6A1 GLU 154 HB2 0.01 0.01 0.12 -0.04 2.09 2.19 1cg6A1 GLU 154 HB3 0.02 0.09 0.16 -0.04 1.99 2.22 1cg6A1 GLU 154 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.28 1cg6A1 GLU 154 HG3 0.01 0.01 -0.19 -0.04 2.34 2.13 1cg6A1 THR 155 H 0.02 0.54 -0.23 -0.55 8.28 8.06 1cg6A1 THR 155 HA 0.01 0.02 0.39 -0.75 4.39 4.05 1cg6A1 THR 155 HB 0.01 0.07 0.10 -0.04 4.32 4.46 1cg6A1 THR 155 HG23 0.00 -0.02 -0.16 -0.04 1.22 1.01 1cg6A1 ALA 156 H 0.00 0.53 -0.19 -0.55 8.40 8.19 1cg6A1 ALA 156 HA -0.00 -0.01 0.37 -0.75 4.34 3.94 1cg6A1 ALA 156 HB3 -0.01 0.04 0.02 -0.04 1.41 1.42 1cg6A1 LYS 157 H -0.00 0.37 -0.39 -0.55 8.42 7.84 1cg6A1 LYS 157 HA -0.01 0.05 0.44 -0.75 4.32 4.05 1cg6A1 LYS 157 HB2 -0.01 0.03 0.12 -0.04 1.87 1.97 1cg6A1 LYS 157 HB3 -0.00 0.20 0.19 -0.04 1.79 2.14 1cg6A1 LYS 157 HG2 -0.00 -0.00 -0.17 -0.04 1.46 1.24 1cg6A1 LYS 157 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 1cg6A1 LYS 157 HD2 -0.00 -0.02 0.00 -0.04 1.69 1.63 1cg6A1 LYS 157 HD3 -0.00 0.01 0.00 -0.04 1.68 1.65 1cg6A1 LYS 157 HE2 -0.00 0.00 -0.03 -0.04 2.99 2.92 1cg6A1 LYS 157 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.92 1cg6A1 LYS 158 H -0.00 0.46 -0.07 -0.55 8.42 8.25 1cg6A1 LYS 158 HA -0.00 0.01 0.42 -0.75 4.32 4.00 1cg6A1 LYS 158 HB2 0.00 0.12 0.12 -0.04 1.87 2.07 1cg6A1 LYS 158 HB3 0.00 -0.06 0.05 -0.04 1.79 1.74 1cg6A1 LYS 158 HG2 0.00 -0.06 0.03 -0.04 1.46 1.39 1cg6A1 LYS 158 HG3 0.00 0.24 0.07 -0.04 1.46 1.73 1cg6A1 LYS 158 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 1cg6A1 LYS 158 HD3 0.00 -0.04 -0.00 -0.04 1.68 1.60 1cg6A1 LYS 158 HE2 0.01 -0.01 -0.13 -0.04 2.99 2.82 1cg6A1 LYS 158 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 1cg6A1 LEU 159 H -0.00 0.34 -0.43 -0.55 8.37 7.73 1cg6A1 LEU 159 HA -0.00 0.08 0.61 -0.75 4.35 4.29 1cg6A1 LEU 159 HB2 -0.00 0.05 0.09 -0.04 1.64 1.73 1cg6A1 LEU 159 HB3 -0.00 -0.08 0.07 -0.04 1.64 1.59 1cg6A1 LEU 159 HG -0.00 0.15 -0.04 -0.04 1.64 1.70 1cg6A1 LEU 159 HD13 -0.00 -0.02 -0.19 -0.04 0.93 0.68 1cg6A1 LEU 159 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 1cg6A1 GLY 160 H -0.01 0.34 -0.46 -0.55 8.43 7.76 1cg6A1 GLY 160 HA2 -0.01 0.04 0.29 -0.51 4.01 3.82 1cg6A1 GLY 160 HA3 -0.01 -0.00 0.41 -0.51 4.01 3.91 1cg6A1 LEU 161 H -0.01 0.41 -0.13 -0.55 8.37 8.10 1cg6A1 LEU 161 HA -0.01 0.08 0.55 -0.75 4.35 4.21 1cg6A1 LEU 161 HB2 -0.01 -0.01 -0.01 -0.04 1.64 1.57 1cg6A1 LEU 161 HB3 -0.01 0.02 -0.05 -0.04 1.64 1.56 1cg6A1 LEU 161 HG -0.00 0.07 -0.15 -0.04 1.64 1.51 1cg6A1 LEU 161 HD13 -0.00 -0.02 -0.03 -0.04 0.93 0.84 1cg6A1 LEU 161 HD23 -0.00 -0.00 -0.02 -0.04 0.89 0.82 1cg6A1 ARG 162 H -0.01 0.13 0.15 -0.55 8.46 8.17 1cg6A1 ARG 162 HA -0.06 0.07 0.53 -0.75 4.34 4.13 1cg6A1 ARG 162 HB2 -0.00 0.00 0.19 -0.04 1.90 2.05 1cg6A1 ARG 162 HB3 -0.02 -0.02 0.05 -0.04 1.80 1.76 1cg6A1 ARG 162 HG2 -0.02 0.02 0.05 -0.04 1.67 1.67 1cg6A1 ARG 162 HG3 -0.01 0.04 0.06 -0.04 1.67 1.72 1cg6A1 ARG 162 HD2 0.01 -0.00 0.01 -0.04 3.22 3.20 1cg6A1 ARG 162 HD3 0.01 0.02 0.00 -0.04 3.22 3.21 1cg6A1 CYS 163 H -0.13 0.26 0.21 -0.55 8.50 8.29 1cg6A1 CYS 163 HA -0.02 0.20 0.82 -0.75 4.58 4.84 1cg6A1 CYS 163 HB2 -0.02 0.03 -0.40 -0.04 2.97 2.54 1cg6A1 CYS 163 HB3 -0.04 0.03 -0.06 -0.04 2.97 2.86 1cg6A1 HIS 164 H 0.12 0.61 0.31 -0.55 8.41 8.90 1cg6A1 HIS 164 HA 0.00 0.11 0.89 -0.75 4.63 4.88 1cg6A1 HIS 164 HB2 -0.01 -0.05 0.21 -0.04 3.26 3.37 1cg6A1 HIS 164 HB3 0.00 0.01 0.10 -0.04 3.20 3.27 1cg6A1 HIS 164 HD2 0.00 0.19 -0.07 -0.04 6.97 7.04 1cg6A1 HIS 164 HE1 0.03 0.08 -0.15 -0.04 7.75 7.67 1cg6A1 SER 165 H 0.04 0.16 0.16 -0.55 8.46 8.27 1cg6A1 SER 165 HA 0.02 0.10 0.44 -0.75 4.49 4.29 1cg6A1 SER 165 HB2 0.02 -0.03 0.06 -0.04 3.95 3.96 1cg6A1 SER 165 HB3 0.02 0.02 0.08 -0.04 3.93 4.01 1cg6A1 LYS 166 H 0.06 0.14 -0.23 -0.55 8.42 7.84 1cg6A1 LYS 166 HA -0.01 0.37 0.39 -0.75 4.32 4.31 1cg6A1 LYS 166 HB2 0.01 -0.10 0.11 -0.04 1.87 1.85 1cg6A1 LYS 166 HB3 0.02 0.17 -0.11 -0.04 1.79 1.82 1cg6A1 LYS 166 HG2 0.03 -0.08 -0.15 -0.04 1.46 1.22 1cg6A1 LYS 166 HG3 0.02 -0.03 -0.30 -0.04 1.46 1.11 1cg6A1 LYS 166 HD2 0.02 0.01 -0.07 -0.04 1.69 1.61 1cg6A1 LYS 166 HD3 0.02 0.04 -0.09 -0.04 1.68 1.61 1cg6A1 LYS 166 HE2 0.03 -0.02 -0.07 -0.04 2.99 2.88 1cg6A1 LYS 166 HE3 0.02 -0.02 -0.09 -0.04 2.99 2.86 1cg6A1 GLY 167 H -0.02 0.13 0.13 -0.55 8.43 8.12 1cg6A1 GLY 167 HA2 -0.01 0.07 0.30 -0.51 4.01 3.87 1cg6A1 GLY 167 HA3 -0.03 0.12 0.39 -0.51 4.01 3.99 1cg6A1 THR 168 H 0.00 0.22 0.15 -0.55 8.28 8.09 1cg6A1 THR 168 HA 0.05 0.23 0.86 -0.75 4.39 4.78 1cg6A1 THR 168 HB 0.03 0.09 0.17 -0.04 4.32 4.57 1cg6A1 THR 168 HG23 0.06 -0.00 -0.43 -0.04 1.22 0.80 1cg6A1 MET 169 H 0.13 0.67 0.25 -0.55 8.47 8.98 1cg6A1 MET 169 HA 0.03 0.23 0.82 -0.75 4.52 4.85 1cg6A1 MET 169 HB2 0.06 0.01 -0.08 -0.04 2.15 2.10 1cg6A1 MET 169 HB3 0.17 0.05 0.14 -0.04 2.03 2.35 1cg6A1 MET 169 HG2 0.09 -0.06 -0.18 -0.04 2.63 2.44 1cg6A1 MET 169 HG3 0.06 -0.01 -0.50 -0.04 2.56 2.07 1cg6A1 MET 169 HE3 0.03 0.01 -0.23 -0.04 2.10 1.87 1cg6A1 VAL 170 H -0.02 0.63 0.37 -0.55 8.24 8.67 1cg6A1 VAL 170 HA 0.02 0.24 0.99 -0.75 4.13 4.63 1cg6A1 VAL 170 HB -0.11 0.02 0.03 -0.04 2.12 2.02 1cg6A1 VAL 170 HG13 -0.35 0.03 0.07 -0.04 0.97 0.68 1cg6A1 VAL 170 HG23 -0.50 0.01 -0.16 -0.04 0.95 0.26 1cg6A1 THR 171 H 0.01 0.55 0.23 -0.55 8.28 8.53 1cg6A1 THR 171 HA -0.02 0.22 0.92 -0.75 4.39 4.74 1cg6A1 THR 171 HB -0.06 -0.01 0.12 -0.04 4.32 4.33 1cg6A1 THR 171 HG23 -0.06 -0.01 -0.35 -0.04 1.22 0.76 1cg6A1 ILE 172 H -0.02 0.56 0.28 -0.55 8.25 8.52 1cg6A1 ILE 172 HA 0.01 0.16 0.63 -0.75 4.18 4.23 1cg6A1 ILE 172 HB 0.07 -0.05 0.05 -0.04 1.89 1.92 1cg6A1 ILE 172 HG12 0.02 0.18 0.03 -0.04 1.49 1.69 1cg6A1 ILE 172 HG13 0.02 -0.01 -0.29 -0.04 1.21 0.89 1cg6A1 ILE 172 HG23 -0.02 0.00 -0.11 -0.04 0.93 0.76 1cg6A1 ILE 172 HD13 0.10 -0.00 -0.10 -0.04 0.88 0.83 1cg6A1 GLU 173 H 0.04 0.23 0.12 -0.55 8.60 8.44 1cg6A1 GLU 173 HA 0.01 0.08 0.47 -0.75 4.29 4.10 1cg6A1 GLU 173 HB2 0.03 -0.03 0.25 -0.04 2.09 2.30 1cg6A1 GLU 173 HB3 0.03 0.03 0.18 -0.04 1.99 2.19 1cg6A1 GLU 173 HG2 0.02 -0.01 0.07 -0.04 2.34 2.39 1cg6A1 GLU 173 HG3 0.02 0.20 -0.12 -0.04 2.34 2.40 1cg6A1 GLY 174 H 0.02 -0.01 -0.08 -0.55 8.43 7.81 1cg6A1 GLY 174 HA2 -0.03 0.24 0.16 -0.51 4.01 3.86 1cg6A1 GLY 174 HA3 -0.03 0.12 0.42 -0.51 4.01 4.01 1cg6A1 PRO 175 HA -0.08 0.08 0.37 -0.51 4.44 4.30 1cg6A1 PRO 175 HB2 -0.08 0.02 0.06 -0.04 2.28 2.25 1cg6A1 PRO 175 HB3 -0.03 -0.01 0.14 -0.04 2.02 2.08 1cg6A1 PRO 175 HG2 -0.03 0.01 0.04 -0.04 2.03 2.01 1cg6A1 PRO 175 HG3 -0.01 0.05 0.08 -0.04 2.03 2.10 1cg6A1 PRO 175 HD2 -0.01 0.12 0.42 -0.04 3.68 4.17 1cg6A1 PRO 175 HD3 -0.00 0.09 0.10 -0.04 3.65 3.80 1cg6A1 ARG 176 H -0.04 0.14 -0.16 -0.55 8.46 7.85 1cg6A1 ARG 176 HA -0.12 0.04 0.40 -0.75 4.34 3.91 1cg6A1 ARG 176 HB2 0.03 0.05 0.07 -0.04 1.90 2.01 1cg6A1 ARG 176 HB3 -0.00 -0.00 0.06 -0.04 1.80 1.81 1cg6A1 ARG 176 HG2 0.01 -0.05 -0.09 -0.04 1.67 1.50 1cg6A1 ARG 176 HG3 0.03 0.05 -0.33 -0.04 1.67 1.38 1cg6A1 ARG 176 HD2 0.04 0.06 -0.05 -0.04 3.22 3.23 1cg6A1 ARG 176 HD3 0.03 -0.00 -0.03 -0.04 3.22 3.17 1cg6A1 PHE 177 H 0.08 0.08 0.13 -0.55 8.34 8.07 1cg6A1 PHE 177 HA 0.05 0.09 0.55 -0.75 4.62 4.55 1cg6A1 PHE 177 HB2 0.02 0.04 0.04 -0.04 3.15 3.21 1cg6A1 PHE 177 HB3 0.03 -0.02 0.07 -0.04 3.06 3.10 1cg6A1 PHE 177 HD2 0.02 -0.00 -0.02 -0.04 7.28 7.24 1cg6A1 PHE 177 HE2 0.01 -0.06 -0.08 -0.04 7.38 7.21 1cg6A1 PHE 177 HZ -0.00 -0.02 -0.16 -0.04 7.32 7.10 1cg6A1 SER 178 H 0.26 0.05 0.06 -0.55 8.46 8.29 1cg6A1 SER 178 HA 0.12 0.11 0.48 -0.75 4.49 4.45 1cg6A1 SER 178 HB2 0.15 -0.02 -0.01 -0.04 3.95 4.03 1cg6A1 SER 178 HB3 0.09 -0.04 0.04 -0.04 3.93 3.97 1cg6A1 SER 179 H 0.02 0.07 0.15 -0.55 8.46 8.14 1cg6A1 SER 179 HA 0.03 0.23 0.57 -0.75 4.49 4.57 1cg6A1 SER 179 HB2 0.01 0.02 0.16 -0.04 3.95 4.10 1cg6A1 SER 179 HB3 0.01 0.13 0.12 -0.04 3.93 4.15 1cg6A1 ARG 180 H 0.02 0.23 0.14 -0.55 8.46 8.29 1cg6A1 ARG 180 HA -0.03 0.10 0.35 -0.75 4.34 4.01 1cg6A1 ARG 180 HB2 0.03 0.10 0.09 -0.04 1.90 2.08 1cg6A1 ARG 180 HB3 0.08 -0.02 0.09 -0.04 1.80 1.91 1cg6A1 ARG 180 HG2 0.38 -0.04 -0.14 -0.04 1.67 1.83 1cg6A1 ARG 180 HG3 -0.00 0.03 -0.03 -0.04 1.67 1.62 1cg6A1 ARG 180 HD2 0.14 -0.05 0.02 -0.04 3.22 3.28 1cg6A1 ARG 180 HD3 0.33 0.04 0.03 -0.04 3.22 3.59 1cg6A1 ALA 181 H 0.02 0.09 -0.09 -0.55 8.40 7.88 1cg6A1 ALA 181 HA 0.09 0.14 0.41 -0.75 4.34 4.23 1cg6A1 ALA 181 HB3 -0.01 0.03 0.04 -0.04 1.41 1.42 1cg6A1 GLU 182 H -0.13 0.01 -0.38 -0.55 8.60 7.55 1cg6A1 GLU 182 HA -0.56 0.12 0.43 -0.75 4.29 3.52 1cg6A1 GLU 182 HB2 -0.19 -0.02 0.12 -0.04 2.09 1.95 1cg6A1 GLU 182 HB3 -0.67 0.05 -0.02 -0.04 1.99 1.31 1cg6A1 GLU 182 HG2 -0.23 0.09 0.01 -0.04 2.34 2.18 1cg6A1 GLU 182 HG3 -0.13 -0.05 0.01 -0.04 2.34 2.13 1cg6A1 SER 183 H -0.18 0.49 -0.20 -0.55 8.46 8.02 1cg6A1 SER 183 HA -0.06 -0.01 0.29 -0.75 4.49 3.96 1cg6A1 SER 183 HB2 -0.03 0.07 0.01 -0.04 3.95 3.95 1cg6A1 SER 183 HB3 -0.20 0.16 0.05 -0.04 3.93 3.90 1cg6A1 PHE 184 H -0.07 0.52 -0.17 -0.55 8.34 8.06 1cg6A1 PHE 184 HA -0.10 0.05 0.45 -0.75 4.62 4.27 1cg6A1 PHE 184 HB2 -0.08 0.06 0.12 -0.04 3.15 3.21 1cg6A1 PHE 184 HB3 -0.07 -0.00 -0.01 -0.04 3.06 2.95 1cg6A1 PHE 184 HD2 0.00 0.00 0.00 -0.04 7.28 7.25 1cg6A1 PHE 184 HE2 0.15 -0.01 0.02 -0.04 7.38 7.50 1cg6A1 PHE 184 HZ 0.13 0.17 0.04 -0.04 7.32 7.63 1cg6A1 MET 185 H -0.25 0.38 -0.27 -0.55 8.47 7.79 1cg6A1 MET 185 HA -0.22 0.03 0.45 -0.75 4.52 4.02 1cg6A1 MET 185 HB2 -0.28 0.03 0.13 -0.04 2.15 1.98 1cg6A1 MET 185 HB3 -0.73 0.08 0.22 -0.04 2.03 1.55 1cg6A1 MET 185 HG2 -1.60 -0.00 -0.24 -0.04 2.63 0.76 1cg6A1 MET 185 HG3 -0.24 -0.01 0.01 -0.04 2.56 2.28 1cg6A1 MET 185 HE3 -0.59 -0.01 -0.02 -0.04 2.10 1.44 1cg6A1 PHE 186 H -0.66 0.60 -0.10 -0.55 8.34 7.62 1cg6A1 PHE 186 HA -0.67 0.01 0.33 -0.75 4.62 3.53 1cg6A1 PHE 186 HB2 -0.21 0.15 0.07 -0.04 3.15 3.12 1cg6A1 PHE 186 HB3 -0.14 -0.08 -0.03 -0.04 3.06 2.77 1cg6A1 PHE 186 HD2 -0.56 -0.02 -0.11 -0.04 7.28 6.55 1cg6A1 PHE 186 HE2 -0.17 -0.03 -0.09 -0.04 7.38 7.04 1cg6A1 PHE 186 HZ -0.05 -0.02 -0.06 -0.04 7.32 7.15 1cg6A1 ARG 187 H -0.12 0.34 -0.30 -0.55 8.46 7.84 1cg6A1 ARG 187 HA -0.09 0.15 0.47 -0.75 4.34 4.12 1cg6A1 ARG 187 HB2 -0.11 0.15 0.20 -0.04 1.90 2.10 1cg6A1 ARG 187 HB3 -0.15 -0.03 0.04 -0.04 1.80 1.62 1cg6A1 ARG 187 HG2 -0.48 0.19 0.15 -0.04 1.67 1.50 1cg6A1 ARG 187 HG3 -0.38 -0.07 0.08 -0.04 1.67 1.26 1cg6A1 ARG 187 HD2 -1.77 -0.04 0.04 -0.04 3.22 1.41 1cg6A1 ARG 187 HD3 -0.51 -0.06 0.01 -0.04 3.22 2.62 1cg6A1 THR 188 H -0.04 0.39 -0.12 -0.55 8.28 7.95 1cg6A1 THR 188 HA 0.06 0.05 0.45 -0.75 4.39 4.19 1cg6A1 THR 188 HB 0.11 -0.05 0.11 -0.04 4.32 4.46 1cg6A1 THR 188 HG23 0.02 0.05 0.07 -0.04 1.22 1.32 1cg6A1 TRP 189 H 0.19 0.28 -0.42 -0.55 7.97 7.47 1cg6A1 TRP 189 HA 0.03 0.07 0.54 -0.75 4.62 4.51 1cg6A1 TRP 189 HB2 0.11 0.10 0.09 -0.04 3.23 3.48 1cg6A1 TRP 189 HB3 0.06 -0.06 0.06 -0.04 3.23 3.25 1cg6A1 TRP 189 HD1 0.05 -0.01 -0.20 -0.04 7.22 7.01 1cg6A1 TRP 189 HE1 0.04 -0.04 -0.05 -0.04 10.20 10.11 1cg6A1 TRP 189 HE3 0.14 -0.02 -0.06 -0.04 7.59 7.60 1cg6A1 TRP 189 HZ2 0.07 -0.02 -0.04 -0.04 7.44 7.41 1cg6A1 TRP 189 HZ3 0.19 -0.00 -0.08 -0.04 7.13 7.19 1cg6A1 TRP 189 HH2 0.17 -0.01 -0.03 -0.04 7.19 7.27 1cg6A1 GLY 190 H 0.14 0.38 -0.37 -0.55 8.43 8.04 1cg6A1 GLY 190 HA2 0.05 0.04 0.25 -0.51 4.01 3.85 1cg6A1 GLY 190 HA3 0.08 0.11 0.70 -0.51 4.01 4.40 1cg6A1 ALA 191 H 0.12 0.37 0.00 -0.55 8.40 8.34 1cg6A1 ALA 191 HA 0.04 0.01 0.47 -0.75 4.34 4.11 1cg6A1 ALA 191 HB3 0.04 -0.01 -0.06 -0.04 1.41 1.34 1cg6A1 ASP 192 H -0.00 0.55 0.38 -0.55 8.40 8.78 1cg6A1 ASP 192 HA -0.06 0.23 0.84 -0.75 4.63 4.89 1cg6A1 ASP 192 HB2 -0.03 -0.10 0.12 -0.04 2.71 2.66 1cg6A1 ASP 192 HB3 -0.05 -0.01 0.04 -0.04 2.70 2.63 1cg6A1 VAL 193 H -0.01 0.44 0.33 -0.55 8.24 8.46 1cg6A1 VAL 193 HA 0.01 0.22 0.85 -0.75 4.13 4.46 1cg6A1 VAL 193 HB 0.01 -0.03 -0.04 -0.04 2.12 2.02 1cg6A1 VAL 193 HG13 -0.03 0.02 -0.19 -0.04 0.97 0.72 1cg6A1 VAL 193 HG23 -0.01 -0.04 -0.26 -0.04 0.95 0.60 1cg6A1 ILE 194 H 0.03 0.51 0.30 -0.55 8.25 8.55 1cg6A1 ILE 194 HA -0.02 0.28 1.08 -0.75 4.18 4.76 1cg6A1 ILE 194 HB -0.01 0.05 -0.19 -0.04 1.89 1.70 1cg6A1 ILE 194 HG12 0.06 -0.06 -0.16 -0.04 1.49 1.30 1cg6A1 ILE 194 HG13 -0.08 0.21 0.13 -0.04 1.21 1.43 1cg6A1 ILE 194 HG23 0.10 -0.01 -0.04 -0.04 0.93 0.94 1cg6A1 ILE 194 HD13 0.09 -0.02 -0.07 -0.04 0.88 0.83 1cg6A1 ASN 195 H 0.01 0.60 0.37 -0.55 8.53 8.96 1cg6A1 ASN 195 HA 0.07 0.15 0.63 -0.75 4.76 4.85 1cg6A1 ASN 195 HB2 0.07 0.05 0.29 -0.04 2.88 3.25 1cg6A1 ASN 195 HB3 0.05 0.10 -0.11 -0.04 2.79 2.78 1cg6A1 ASN 195 HD21 0.07 -0.03 -0.08 -0.04 7.03 6.96 1cg6A1 ASN 195 HD22 0.07 0.16 -0.09 -0.04 7.74 7.85 1cg6A1 MET 196 H 0.07 0.14 0.21 -0.55 8.47 8.34 1cg6A1 MET 196 HA 0.02 0.32 0.98 -0.75 4.52 5.09 1cg6A1 MET 196 HB2 0.06 -0.04 0.06 -0.04 2.15 2.19 1cg6A1 MET 196 HB3 0.04 0.13 0.11 -0.04 2.03 2.28 1cg6A1 MET 196 HG2 0.00 0.07 -0.25 -0.04 2.63 2.41 1cg6A1 MET 196 HG3 0.02 -0.14 -0.33 -0.04 2.56 2.07 1cg6A1 MET 196 HE3 -0.31 0.03 -0.24 -0.04 2.10 1.55 1cg6A1 THR 197 H 0.06 -0.09 0.08 -0.55 8.28 7.78 1cg6A1 THR 197 HA 0.07 0.46 1.06 -0.75 4.39 5.22 1cg6A1 THR 197 HB 0.22 0.06 0.03 -0.04 4.32 4.58 1cg6A1 THR 197 HG23 0.21 -0.00 -0.19 -0.04 1.22 1.20 1cg6A1 THR 198 H 0.01 -0.02 -0.02 -0.55 8.28 7.70 1cg6A1 THR 198 HA 0.06 0.12 0.34 -0.75 4.39 4.15 1cg6A1 THR 198 HB 0.01 -0.03 -0.04 -0.04 4.32 4.22 1cg6A1 THR 198 HG23 0.13 0.02 -0.21 -0.04 1.22 1.12 1cg6A1 VAL 199 H -0.20 0.10 -0.20 -0.55 8.24 7.39 1cg6A1 VAL 199 HA -0.48 0.04 0.67 -0.75 4.13 3.61 1cg6A1 VAL 199 HB -0.23 -0.01 -0.02 -0.04 2.12 1.82 1cg6A1 VAL 199 HG13 -0.29 0.03 -0.11 -0.04 0.97 0.56 1cg6A1 VAL 199 HG23 -0.62 -0.01 -0.16 -0.04 0.95 0.12 1cg6A1 PRO 200 HA -0.41 -0.02 0.30 -0.51 4.44 3.80 1cg6A1 PRO 200 HB2 -0.30 0.02 0.09 -0.04 2.28 2.05 1cg6A1 PRO 200 HB3 -0.27 0.05 -0.04 -0.04 2.02 1.72 1cg6A1 PRO 200 HG2 -0.51 -0.05 -0.14 -0.04 2.03 1.29 1cg6A1 PRO 200 HG3 -0.29 0.24 -0.07 -0.04 2.03 1.87 1cg6A1 PRO 200 HD2 -1.46 0.15 0.22 -0.04 3.68 2.55 1cg6A1 PRO 200 HD3 -0.44 0.10 0.03 -0.04 3.65 3.29 1cg6A1 GLU 201 H -0.48 0.26 -0.28 -0.55 8.60 7.56 1cg6A1 GLU 201 HA -0.11 0.02 0.29 -0.75 4.29 3.74 1cg6A1 GLU 201 HB2 0.05 0.10 0.03 -0.04 2.09 2.23 1cg6A1 GLU 201 HB3 -0.03 0.07 0.07 -0.04 1.99 2.06 1cg6A1 GLU 201 HG2 0.17 0.01 -0.16 -0.04 2.34 2.31 1cg6A1 GLU 201 HG3 0.17 -0.03 -0.04 -0.04 2.34 2.39 1cg6A1 VAL 202 H -0.44 0.50 -0.04 -0.55 8.24 7.71 1cg6A1 VAL 202 HA -1.37 0.08 0.32 -0.75 4.13 2.40 1cg6A1 VAL 202 HB -0.46 -0.03 -0.04 -0.04 2.12 1.54 1cg6A1 VAL 202 HG13 -0.63 0.02 -0.15 -0.04 0.97 0.17 1cg6A1 VAL 202 HG23 -0.75 0.01 -0.16 -0.04 0.95 0.01 1cg6A1 VAL 203 H -0.41 0.04 -0.35 -0.55 8.24 6.98 1cg6A1 VAL 203 HA -0.18 0.11 0.36 -0.75 4.13 3.66 1cg6A1 VAL 203 HB -0.25 0.09 0.15 -0.04 2.12 2.06 1cg6A1 VAL 203 HG13 -0.10 0.02 -0.03 -0.04 0.97 0.81 1cg6A1 VAL 203 HG23 -0.25 -0.04 -0.00 -0.04 0.95 0.62 1cg6A1 LEU 204 H -0.28 0.54 -0.07 -0.55 8.37 8.01 1cg6A1 LEU 204 HA -0.25 0.02 0.38 -0.75 4.35 3.74 1cg6A1 LEU 204 HB2 -0.22 0.09 -0.02 -0.04 1.64 1.44 1cg6A1 LEU 204 HB3 -0.43 -0.03 -0.10 -0.04 1.64 1.03 1cg6A1 LEU 204 HG -0.35 0.07 -0.15 -0.04 1.64 1.17 1cg6A1 LEU 204 HD13 -0.27 0.01 -0.37 -0.04 0.93 0.26 1cg6A1 LEU 204 HD23 -1.07 -0.02 -0.35 -0.04 0.89 -0.59 1cg6A1 ALA 205 H -0.24 0.39 -0.33 -0.55 8.40 7.68 1cg6A1 ALA 205 HA 0.01 0.02 0.33 -0.75 4.34 3.94 1cg6A1 ALA 205 HB3 -0.16 0.04 0.00 -0.04 1.41 1.25 1cg6A1 LYS 206 H -0.14 0.36 -0.22 -0.55 8.42 7.86 1cg6A1 LYS 206 HA -0.04 0.08 0.45 -0.75 4.32 4.05 1cg6A1 LYS 206 HB2 -0.11 0.08 0.18 -0.04 1.87 1.99 1cg6A1 LYS 206 HB3 -0.06 0.10 0.15 -0.04 1.79 1.93 1cg6A1 LYS 206 HG2 -0.03 0.10 -0.01 -0.04 1.46 1.48 1cg6A1 LYS 206 HG3 -0.02 -0.05 -0.04 -0.04 1.46 1.31 1cg6A1 LYS 206 HD2 -0.02 -0.04 0.04 -0.04 1.69 1.63 1cg6A1 LYS 206 HD3 -0.05 0.06 0.05 -0.04 1.68 1.70 1cg6A1 LYS 206 HE2 -0.01 0.11 -0.06 -0.04 2.99 2.98 1cg6A1 LYS 206 HE3 -0.01 -0.06 -0.02 -0.04 2.99 2.86 1cg6A1 GLU 207 H 0.00 0.37 -0.14 -0.55 8.60 8.29 1cg6A1 GLU 207 HA 0.06 0.05 0.39 -0.75 4.29 4.04 1cg6A1 GLU 207 HB2 0.20 0.08 0.13 -0.04 2.09 2.46 1cg6A1 GLU 207 HB3 0.37 -0.06 0.01 -0.04 1.99 2.27 1cg6A1 GLU 207 HG2 0.05 0.01 0.04 -0.04 2.34 2.39 1cg6A1 GLU 207 HG3 -0.00 0.17 0.06 -0.04 2.34 2.52 1cg6A1 ALA 208 H 0.11 0.31 -0.48 -0.55 8.40 7.79 1cg6A1 ALA 208 HA -0.01 0.07 0.53 -0.75 4.34 4.17 1cg6A1 ALA 208 HB3 0.01 -0.02 0.04 -0.04 1.41 1.40 1cg6A1 GLY 209 H -0.00 0.43 -0.43 -0.55 8.43 7.88 1cg6A1 GLY 209 HA2 -0.04 0.05 0.19 -0.51 4.01 3.71 1cg6A1 GLY 209 HA3 -0.05 0.02 0.36 -0.51 4.01 3.83 1cg6A1 ILE 210 H -0.02 0.42 -0.09 -0.55 8.25 8.01 1cg6A1 ILE 210 HA -0.09 0.27 0.77 -0.75 4.18 4.38 1cg6A1 ILE 210 HB 0.01 -0.04 -0.07 -0.04 1.89 1.74 1cg6A1 ILE 210 HG12 -0.07 0.20 -0.21 -0.04 1.49 1.38 1cg6A1 ILE 210 HG13 -0.06 0.07 -0.37 -0.04 1.21 0.82 1cg6A1 ILE 210 HG23 -0.01 -0.02 -0.54 -0.04 0.93 0.32 1cg6A1 ILE 210 HD13 -0.03 -0.06 -0.16 -0.04 0.88 0.59 1cg6A1 CYS 211 H -0.22 0.56 0.29 -0.55 8.50 8.59 1cg6A1 CYS 211 HA -0.01 0.05 0.61 -0.75 4.58 4.48 1cg6A1 CYS 211 HB2 -0.63 0.05 0.29 -0.04 2.97 2.63 1cg6A1 CYS 211 HB3 -0.11 -0.12 0.02 -0.04 2.97 2.72 1cg6A1 TYR 212 H 0.15 0.22 0.24 -0.55 8.29 8.35 1cg6A1 TYR 212 HA 0.03 0.38 1.02 -0.75 4.56 5.23 1cg6A1 TYR 212 HB2 -0.02 0.03 -0.12 -0.04 3.06 2.91 1cg6A1 TYR 212 HB3 -0.03 0.08 0.14 -0.04 2.98 3.13 1cg6A1 TYR 212 HD2 0.03 0.00 -0.22 -0.04 7.15 6.92 1cg6A1 TYR 212 HE2 0.15 -0.06 -0.23 -0.04 6.85 6.67 1cg6A1 ALA 213 H -0.32 0.64 0.42 -0.55 8.40 8.59 1cg6A1 ALA 213 HA 0.21 0.13 0.73 -0.75 4.34 4.67 1cg6A1 ALA 213 HB3 0.02 0.01 -0.07 -0.04 1.41 1.33 1cg6A1 SER 214 H -0.05 0.28 0.11 -0.55 8.46 8.26 1cg6A1 SER 214 HA -0.12 0.16 1.00 -0.75 4.49 4.78 1cg6A1 SER 214 HB2 0.13 0.02 -0.25 -0.04 3.95 3.80 1cg6A1 SER 214 HB3 -0.01 0.01 -0.03 -0.04 3.93 3.85 1cg6A1 ILE 215 H -0.04 0.77 0.23 -0.55 8.25 8.66 1cg6A1 ILE 215 HA -0.03 0.15 0.77 -0.75 4.18 4.32 1cg6A1 ILE 215 HB -0.02 0.02 0.29 -0.04 1.89 2.14 1cg6A1 ILE 215 HG12 -0.02 0.02 -0.10 -0.04 1.49 1.36 1cg6A1 ILE 215 HG13 -0.04 -0.06 -0.15 -0.04 1.21 0.92 1cg6A1 ILE 215 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.76 1cg6A1 ILE 215 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 1cg6A1 ALA 216 H -0.02 0.57 0.21 -0.55 8.40 8.61 1cg6A1 ALA 216 HA 0.01 0.16 0.83 -0.75 4.34 4.58 1cg6A1 ALA 216 HB3 -0.00 -0.00 -0.03 -0.04 1.41 1.33 1cg6A1 MET 217 H 0.02 0.67 0.31 -0.55 8.47 8.92 1cg6A1 MET 217 HA 0.01 0.32 0.97 -0.75 4.52 5.06 1cg6A1 MET 217 HB2 0.01 0.00 -0.08 -0.04 2.15 2.04 1cg6A1 MET 217 HB3 0.02 -0.05 0.11 -0.04 2.03 2.06 1cg6A1 MET 217 HG2 0.01 -0.05 -0.12 -0.04 2.63 2.42 1cg6A1 MET 217 HG3 0.00 -0.04 -0.42 -0.04 2.56 2.06 1cg6A1 MET 217 HE3 0.00 -0.02 -0.08 -0.04 2.10 1.96 1cg6A1 ALA 218 H -0.01 0.61 0.13 -0.55 8.40 8.58 1cg6A1 ALA 218 HA -0.02 0.08 0.46 -0.75 4.34 4.10 1cg6A1 ALA 218 HB3 -0.07 0.02 -0.07 -0.04 1.41 1.25 1cg6A1 THR 219 H -0.03 0.53 0.49 -0.55 8.28 8.72 1cg6A1 THR 219 HA -0.04 0.21 1.02 -0.75 4.39 4.82 1cg6A1 THR 219 HB -0.02 0.00 0.23 -0.04 4.32 4.49 1cg6A1 THR 219 HG23 0.00 0.05 -0.05 -0.04 1.22 1.18 1cg6A1 ASP 220 H -0.10 0.22 0.33 -0.55 8.40 8.31 1cg6A1 ASP 220 HA -0.11 0.19 0.52 -0.75 4.63 4.48 1cg6A1 ASP 220 HB2 -0.07 -0.00 0.15 -0.04 2.71 2.74 1cg6A1 ASP 220 HB3 -0.07 0.22 -0.11 -0.04 2.70 2.70 1cg6A1 TYR 221 H 0.03 0.24 0.10 -0.55 8.29 8.11 1cg6A1 TYR 221 HA 0.08 0.25 0.96 -0.75 4.56 5.09 1cg6A1 TYR 221 HB2 -0.22 0.01 0.06 -0.04 3.06 2.86 1cg6A1 TYR 221 HB3 -0.46 -0.03 0.15 -0.04 2.98 2.59 1cg6A1 TYR 221 HD2 0.10 -0.01 -0.07 -0.04 7.15 7.13 1cg6A1 TYR 221 HE2 0.08 0.09 -0.07 -0.04 6.85 6.92 1cg6A1 ASP 222 H 0.02 -0.03 -0.24 -0.55 8.40 7.60 1cg6A1 ASP 222 HA -0.01 -0.03 0.31 -0.75 4.63 4.14 1cg6A1 ASP 222 HB2 0.20 0.01 -0.20 -0.04 2.71 2.68 1cg6A1 ASP 222 HB3 0.33 0.03 0.15 -0.04 2.70 3.17 1cg6A1 CYS 223 H 0.08 0.01 0.21 -0.55 8.50 8.26 1cg6A1 CYS 223 HA -0.15 0.29 1.07 -0.75 4.58 5.04 1cg6A1 CYS 223 HB2 -0.06 0.06 -0.05 -0.04 2.97 2.87 1cg6A1 CYS 223 HB3 -0.06 0.02 -0.22 -0.04 2.97 2.67 1cg6A1 TRP 224 H -0.05 0.18 0.13 -0.55 7.97 7.68 1cg6A1 TRP 224 HA -0.72 0.12 0.39 -0.75 4.62 3.66 1cg6A1 TRP 224 HB2 -1.01 0.04 0.03 -0.04 3.23 2.25 1cg6A1 TRP 224 HB3 -0.68 -0.09 -0.05 -0.04 3.23 2.38 1cg6A1 TRP 224 HD1 -0.10 -0.22 0.08 -0.04 7.22 6.94 1cg6A1 TRP 224 HE1 0.10 0.41 0.15 -0.04 10.20 10.83 1cg6A1 TRP 224 HE3 0.01 -0.02 0.00 -0.04 7.59 7.54 1cg6A1 TRP 224 HZ2 0.12 -0.00 -0.46 -0.04 7.44 7.06 1cg6A1 TRP 224 HZ3 -0.01 -0.01 -0.02 -0.04 7.13 7.05 1cg6A1 TRP 224 HH2 -0.06 -0.10 -0.09 -0.04 7.19 6.89 1cg6A1 ALA 230 HA -0.08 -0.04 0.17 -0.75 4.34 3.64 1cg6A1 ALA 230 HB3 -0.09 -0.02 0.04 -0.04 1.41 1.30 1cg6A1 VAL 231 H -0.16 0.32 0.14 -0.55 8.24 7.99 1cg6A1 VAL 231 HA -0.19 0.01 0.54 -0.75 4.13 3.73 1cg6A1 VAL 231 HB -0.22 -0.02 0.15 -0.04 2.12 1.98 1cg6A1 VAL 231 HG13 -0.44 0.01 -0.04 -0.04 0.97 0.45 1cg6A1 VAL 231 HG23 -0.63 -0.02 -0.06 -0.04 0.95 0.20 1cg6A1 SER 232 H -0.21 0.24 0.28 -0.55 8.46 8.22 1cg6A1 SER 232 HA -0.12 0.15 0.48 -0.75 4.49 4.24 1cg6A1 SER 232 HB2 -0.01 -0.03 0.17 -0.04 3.95 4.03 1cg6A1 SER 232 HB3 -0.07 0.28 -0.17 -0.04 3.93 3.93 1cg6A1 VAL 233 H 0.12 0.24 0.16 -0.55 8.24 8.21 1cg6A1 VAL 233 HA 0.13 0.08 0.45 -0.75 4.13 4.05 1cg6A1 VAL 233 HB 0.05 0.00 0.16 -0.04 2.12 2.29 1cg6A1 VAL 233 HG13 -0.00 0.03 -0.07 -0.04 0.97 0.88 1cg6A1 VAL 233 HG23 0.14 0.02 0.07 -0.04 0.95 1.14 1cg6A1 ASP 234 H 0.01 0.12 -0.08 -0.55 8.40 7.90 1cg6A1 ASP 234 HA -0.01 0.11 0.42 -0.75 4.63 4.40 1cg6A1 ASP 234 HB2 -0.01 -0.01 0.07 -0.04 2.71 2.71 1cg6A1 ASP 234 HB3 -0.01 0.08 -0.00 -0.04 2.70 2.72 1cg6A1 ARG 235 H -0.03 0.06 -0.25 -0.55 8.46 7.69 1cg6A1 ARG 235 HA -0.03 0.10 0.47 -0.75 4.34 4.13 1cg6A1 ARG 235 HB2 -0.05 0.05 0.13 -0.04 1.90 1.98 1cg6A1 ARG 235 HB3 -0.07 -0.08 0.22 -0.04 1.80 1.83 1cg6A1 ARG 235 HG2 -0.07 0.02 0.05 -0.04 1.67 1.63 1cg6A1 ARG 235 HG3 -0.05 0.09 -0.11 -0.04 1.67 1.56 1cg6A1 ARG 235 HD2 -0.03 -0.02 0.07 -0.04 3.22 3.20 1cg6A1 ARG 235 HD3 -0.03 0.02 0.05 -0.04 3.22 3.21 1cg6A1 VAL 236 H -0.02 0.40 -0.08 -0.55 8.24 8.00 1cg6A1 VAL 236 HA -0.01 0.10 0.46 -0.75 4.13 3.92 1cg6A1 VAL 236 HB 0.05 0.09 0.20 -0.04 2.12 2.41 1cg6A1 VAL 236 HG13 0.04 -0.01 -0.10 -0.04 0.97 0.86 1cg6A1 VAL 236 HG23 0.04 0.03 -0.00 -0.04 0.95 0.97 1cg6A1 LEU 237 H -0.00 0.57 0.00 -0.55 8.37 8.39 1cg6A1 LEU 237 HA -0.01 0.01 0.36 -0.75 4.35 3.95 1cg6A1 LEU 237 HB2 -0.02 0.07 0.14 -0.04 1.64 1.79 1cg6A1 LEU 237 HB3 -0.02 -0.01 0.05 -0.04 1.64 1.61 1cg6A1 LEU 237 HG -0.03 0.16 0.11 -0.04 1.64 1.84 1cg6A1 LEU 237 HD13 -0.05 -0.01 -0.02 -0.04 0.93 0.80 1cg6A1 LEU 237 HD23 -0.07 -0.02 -0.03 -0.04 0.89 0.73 1cg6A1 LYS 238 H -0.01 0.41 -0.30 -0.55 8.42 7.96 1cg6A1 LYS 238 HA -0.01 0.01 0.45 -0.75 4.32 4.02 1cg6A1 LYS 238 HB2 -0.01 0.08 0.17 -0.04 1.87 2.06 1cg6A1 LYS 238 HB3 -0.02 0.10 0.21 -0.04 1.79 2.04 1cg6A1 LYS 238 HG2 -0.01 0.01 -0.11 -0.04 1.46 1.31 1cg6A1 LYS 238 HG3 -0.01 -0.04 0.06 -0.04 1.46 1.43 1cg6A1 LYS 238 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 1cg6A1 LYS 238 HD3 -0.01 0.00 0.01 -0.04 1.68 1.64 1cg6A1 LYS 238 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 1cg6A1 LYS 238 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1cg6A1 THR 239 H -0.02 0.50 -0.02 -0.55 8.28 8.19 1cg6A1 THR 239 HA -0.01 0.04 0.45 -0.75 4.39 4.11 1cg6A1 THR 239 HB -0.02 0.03 0.25 -0.04 4.32 4.54 1cg6A1 THR 239 HG23 -0.02 -0.03 0.03 -0.04 1.22 1.15 1cg6A1 LEU 240 H -0.01 0.44 -0.18 -0.55 8.37 8.08 1cg6A1 LEU 240 HA 0.00 0.03 0.43 -0.75 4.35 4.06 1cg6A1 LEU 240 HB2 -0.00 0.07 0.14 -0.04 1.64 1.80 1cg6A1 LEU 240 HB3 0.01 0.05 -0.00 -0.04 1.64 1.65 1cg6A1 LEU 240 HG 0.01 0.06 0.03 -0.04 1.64 1.70 1cg6A1 LEU 240 HD13 0.02 -0.00 -0.13 -0.04 0.93 0.77 1cg6A1 LEU 240 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 1cg6A1 LYS 241 H -0.00 0.49 -0.11 -0.55 8.42 8.24 1cg6A1 LYS 241 HA -0.00 -0.00 0.44 -0.75 4.32 4.00 1cg6A1 LYS 241 HB2 -0.01 0.06 0.19 -0.04 1.87 2.07 1cg6A1 LYS 241 HB3 -0.01 0.13 0.19 -0.04 1.79 2.07 1cg6A1 LYS 241 HG2 -0.00 0.01 -0.07 -0.04 1.46 1.35 1cg6A1 LYS 241 HG3 -0.00 -0.05 0.07 -0.04 1.46 1.44 1cg6A1 LYS 241 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 1cg6A1 LYS 241 HD3 -0.01 0.02 0.01 -0.04 1.68 1.66 1cg6A1 LYS 241 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.92 1cg6A1 LYS 241 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.94 1cg6A1 GLU 242 H -0.00 0.38 -0.23 -0.55 8.60 8.19 1cg6A1 GLU 242 HA -0.00 0.04 0.44 -0.75 4.29 4.01 1cg6A1 GLU 242 HB2 -0.01 0.11 0.13 -0.04 2.09 2.28 1cg6A1 GLU 242 HB3 -0.00 -0.04 0.08 -0.04 1.99 1.98 1cg6A1 GLU 242 HG2 -0.00 -0.06 0.04 -0.04 2.34 2.27 1cg6A1 GLU 242 HG3 -0.01 0.16 0.13 -0.04 2.34 2.58 1cg6A1 ASN 243 H -0.00 0.33 -0.22 -0.55 8.53 8.09 1cg6A1 ASN 243 HA -0.00 0.20 1.08 -0.75 4.76 5.28 1cg6A1 ASN 243 HB2 -0.00 0.09 0.10 -0.04 2.88 3.03 1cg6A1 ASN 243 HB3 -0.00 -0.05 0.18 -0.04 2.79 2.88 1cg6A1 ASN 243 HD21 -0.01 -0.04 -0.04 -0.04 7.03 6.90 1cg6A1 ASN 243 HD22 -0.01 0.46 0.12 -0.04 7.74 8.27 1cg6A1 ALA 244 H 0.00 0.53 0.03 -0.55 8.40 8.41 1cg6A1 ALA 244 HA 0.01 -0.02 0.41 -0.75 4.34 3.98 1cg6A1 ALA 244 HB3 0.01 0.04 0.13 -0.04 1.41 1.55 1cg6A1 ASN 245 H 0.00 0.22 -0.35 -0.55 8.53 7.85 1cg6A1 ASN 245 HA 0.00 0.02 0.39 -0.75 4.76 4.42 1cg6A1 ASN 245 HB2 -0.00 0.00 0.05 -0.04 2.88 2.89 1cg6A1 ASN 245 HB3 0.00 0.03 0.06 -0.04 2.79 2.83 1cg6A1 ASN 245 HD21 -0.00 0.16 0.07 -0.04 7.03 7.22 1cg6A1 ASN 245 HD22 0.00 -0.04 -0.09 -0.04 7.74 7.58 1cg6A1 LYS 246 H 0.00 0.51 -0.27 -0.55 8.42 8.10 1cg6A1 LYS 246 HA -0.00 0.07 0.44 -0.75 4.32 4.07 1cg6A1 LYS 246 HB2 0.00 0.13 0.15 -0.04 1.87 2.11 1cg6A1 LYS 246 HB3 0.00 -0.02 -0.00 -0.04 1.79 1.72 1cg6A1 LYS 246 HG2 -0.00 -0.02 0.04 -0.04 1.46 1.45 1cg6A1 LYS 246 HG3 0.00 -0.03 0.10 -0.04 1.46 1.49 1cg6A1 LYS 246 HD2 0.00 0.06 0.13 -0.04 1.69 1.85 1cg6A1 LYS 246 HD3 0.00 -0.02 0.07 -0.04 1.68 1.69 1cg6A1 LYS 246 HE2 -0.00 -0.04 0.05 -0.04 2.99 2.96 1cg6A1 LYS 246 HE3 0.00 -0.01 0.08 -0.04 2.99 3.01 1cg6A1 ALA 247 H 0.00 0.28 -0.07 -0.55 8.40 8.06 1cg6A1 ALA 247 HA -0.00 0.04 0.41 -0.75 4.34 4.03 1cg6A1 ALA 247 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 1cg6A1 LYS 248 H -0.00 0.40 -0.23 -0.55 8.42 8.03 1cg6A1 LYS 248 HA -0.00 0.02 0.38 -0.75 4.32 3.96 1cg6A1 LYS 248 HB2 -0.00 0.01 0.06 -0.04 1.87 1.90 1cg6A1 LYS 248 HB3 -0.00 0.11 0.11 -0.04 1.79 1.97 1cg6A1 LYS 248 HG2 -0.00 0.02 -0.15 -0.04 1.46 1.28 1cg6A1 LYS 248 HG3 -0.00 -0.04 -0.02 -0.04 1.46 1.36 1cg6A1 LYS 248 HD2 -0.00 -0.06 -0.08 -0.04 1.69 1.51 1cg6A1 LYS 248 HD3 -0.00 0.02 -0.06 -0.04 1.68 1.61 1cg6A1 LYS 248 HE2 -0.00 0.04 -0.09 -0.04 2.99 2.89 1cg6A1 LYS 248 HE3 -0.00 -0.03 -0.18 -0.04 2.99 2.74 1cg6A1 SER 249 H -0.00 0.58 -0.12 -0.55 8.46 8.38 1cg6A1 SER 249 HA -0.00 0.00 0.37 -0.75 4.49 4.11 1cg6A1 SER 249 HB2 -0.00 0.10 0.16 -0.04 3.95 4.16 1cg6A1 SER 249 HB3 -0.00 -0.02 0.01 -0.04 3.93 3.87 1cg6A1 LEU 250 H -0.00 0.53 -0.22 -0.55 8.37 8.13 1cg6A1 LEU 250 HA -0.00 0.04 0.35 -0.75 4.35 3.98 1cg6A1 LEU 250 HB2 -0.00 0.08 0.07 -0.04 1.64 1.75 1cg6A1 LEU 250 HB3 -0.01 0.05 0.11 -0.04 1.64 1.76 1cg6A1 LEU 250 HG -0.01 -0.04 -0.17 -0.04 1.64 1.38 1cg6A1 LEU 250 HD13 0.00 0.03 -0.03 -0.04 0.93 0.88 1cg6A1 LEU 250 HD23 -0.00 -0.01 -0.08 -0.04 0.89 0.76 1cg6A1 LEU 251 H -0.01 0.57 -0.16 -0.55 8.37 8.22 1cg6A1 LEU 251 HA -0.02 -0.02 0.40 -0.75 4.35 3.95 1cg6A1 LEU 251 HB2 -0.01 0.14 0.14 -0.04 1.64 1.87 1cg6A1 LEU 251 HB3 -0.02 -0.03 -0.06 -0.04 1.64 1.48 1cg6A1 LEU 251 HG -0.02 0.05 -0.01 -0.04 1.64 1.62 1cg6A1 LEU 251 HD13 -0.01 -0.02 -0.12 -0.04 0.93 0.73 1cg6A1 LEU 251 HD23 -0.03 -0.02 -0.10 -0.04 0.89 0.70 1cg6A1 LEU 252 H -0.01 0.57 -0.09 -0.55 8.37 8.30 1cg6A1 LEU 252 HA -0.01 0.01 0.38 -0.75 4.35 3.98 1cg6A1 LEU 252 HB2 -0.01 0.09 0.12 -0.04 1.64 1.81 1cg6A1 LEU 252 HB3 -0.01 -0.05 0.00 -0.04 1.64 1.54 1cg6A1 LEU 252 HG -0.01 0.04 0.06 -0.04 1.64 1.69 1cg6A1 LEU 252 HD13 -0.00 -0.03 -0.07 -0.04 0.93 0.78 1cg6A1 LEU 252 HD23 -0.01 0.01 0.07 -0.04 0.89 0.91 1cg6A1 THR 253 H -0.01 0.42 -0.32 -0.55 8.28 7.83 1cg6A1 THR 253 HA -0.00 0.07 0.59 -0.75 4.39 4.30 1cg6A1 THR 253 HB 0.00 0.06 0.05 -0.04 4.32 4.39 1cg6A1 THR 253 HG23 0.00 -0.02 -0.03 -0.04 1.22 1.13 1cg6A1 THR 254 H -0.01 0.45 -0.10 -0.55 8.28 8.08 1cg6A1 THR 254 HA 0.01 0.05 0.49 -0.75 4.39 4.19 1cg6A1 THR 254 HB -0.01 0.04 0.13 -0.04 4.32 4.44 1cg6A1 THR 254 HG23 0.01 -0.04 -0.23 -0.04 1.22 0.92 1cg6A1 ILE 255 H -0.02 0.59 -0.03 -0.55 8.25 8.24 1cg6A1 ILE 255 HA -0.06 -0.06 0.34 -0.75 4.18 3.65 1cg6A1 ILE 255 HB -0.03 0.17 0.08 -0.04 1.89 2.07 1cg6A1 ILE 255 HG12 -0.08 -0.09 -0.03 -0.04 1.49 1.25 1cg6A1 ILE 255 HG13 -0.04 0.01 0.06 -0.04 1.21 1.19 1cg6A1 ILE 255 HG23 -0.05 -0.01 -0.16 -0.04 0.93 0.67 1cg6A1 ILE 255 HD13 -0.04 -0.00 -0.12 -0.04 0.88 0.68 1cg6A1 PRO 256 HA -0.00 0.03 0.42 -0.51 4.44 4.37 1cg6A1 PRO 256 HB2 0.00 0.08 -0.04 -0.04 2.28 2.28 1cg6A1 PRO 256 HB3 0.00 -0.05 0.05 -0.04 2.02 1.98 1cg6A1 PRO 256 HG2 -0.00 0.10 0.03 -0.04 2.03 2.12 1cg6A1 PRO 256 HG3 -0.01 -0.01 -0.05 -0.04 2.03 1.92 1cg6A1 PRO 256 HD2 -0.00 0.22 -0.41 -0.04 3.68 3.44 1cg6A1 PRO 256 HD3 -0.01 0.13 -0.04 -0.04 3.65 3.69 1cg6A1 GLN 257 H 0.02 0.36 -0.42 -0.55 8.47 7.88 1cg6A1 GLN 257 HA 0.04 0.02 0.42 -0.75 4.36 4.09 1cg6A1 GLN 257 HB2 0.03 0.13 0.14 -0.04 2.15 2.41 1cg6A1 GLN 257 HB3 0.05 0.13 0.12 -0.04 2.02 2.27 1cg6A1 GLN 257 HG2 0.04 -0.01 0.01 -0.04 2.40 2.39 1cg6A1 GLN 257 HG3 0.06 -0.06 -0.05 -0.04 2.39 2.29 1cg6A1 GLN 257 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1cg6A1 GLN 257 HE22 0.02 -0.03 -0.01 -0.04 7.69 7.63 1cg6A1 ILE 258 H 0.04 0.43 -0.11 -0.55 8.25 8.05 1cg6A1 ILE 258 HA 0.36 -0.00 0.40 -0.75 4.18 4.19 1cg6A1 ILE 258 HB -0.12 0.15 0.10 -0.04 1.89 1.97 1cg6A1 ILE 258 HG12 0.22 -0.06 -0.04 -0.04 1.49 1.57 1cg6A1 ILE 258 HG13 0.06 0.11 -0.06 -0.04 1.21 1.27 1cg6A1 ILE 258 HG23 -0.70 -0.02 -0.20 -0.04 0.93 -0.03 1cg6A1 ILE 258 HD13 -0.16 -0.02 -0.10 -0.04 0.88 0.55 1cg6A1 GLY 259 H 0.01 0.42 -0.24 -0.55 8.43 8.08 1cg6A1 GLY 259 HA2 0.04 0.02 0.40 -0.51 4.01 3.96 1cg6A1 GLY 259 HA3 0.01 -0.01 0.30 -0.51 4.01 3.80 1cg6A1 SER 260 H 0.11 0.29 -0.68 -0.55 8.46 7.63 1cg6A1 SER 260 HA 0.06 0.15 0.89 -0.75 4.49 4.83 1cg6A1 SER 260 HB2 0.03 -0.10 0.14 -0.04 3.95 3.98 1cg6A1 SER 260 HB3 0.04 0.06 0.04 -0.04 3.93 4.02 1cg6A1 THR 261 H 0.22 0.33 -0.14 -0.55 8.28 8.14 1cg6A1 THR 261 HA -0.03 0.16 0.96 -0.75 4.39 4.73 1cg6A1 THR 261 HB -0.28 -0.11 0.13 -0.04 4.32 4.02 1cg6A1 THR 261 HG23 -0.01 0.02 -0.07 -0.04 1.22 1.12 1cg6A1 GLU 262 H -0.21 0.10 0.16 -0.55 8.60 8.10 1cg6A1 GLU 262 HA 0.01 0.17 0.70 -0.75 4.29 4.41 1cg6A1 GLU 262 HB2 -0.06 0.08 0.11 -0.04 2.09 2.17 1cg6A1 GLU 262 HB3 -0.15 -0.01 0.13 -0.04 1.99 1.92 1cg6A1 GLU 262 HG2 -0.03 0.04 0.03 -0.04 2.34 2.34 1cg6A1 GLU 262 HG3 -0.03 -0.23 -0.06 -0.04 2.34 1.98 1cg6A1 TRP 263 H 0.20 0.18 0.22 -0.55 7.97 8.02 1cg6A1 TRP 263 HA 0.06 0.14 0.89 -0.75 4.62 4.95 1cg6A1 TRP 263 HB2 0.11 0.13 0.00 -0.04 3.23 3.43 1cg6A1 TRP 263 HB3 0.10 -0.04 0.11 -0.04 3.23 3.36 1cg6A1 TRP 263 HD1 0.05 0.18 -0.10 -0.04 7.22 7.31 1cg6A1 TRP 263 HE1 -0.02 0.52 0.06 -0.04 10.20 10.72 1cg6A1 TRP 263 HE3 0.11 -0.08 0.02 -0.04 7.59 7.60 1cg6A1 TRP 263 HZ2 0.01 0.02 -0.07 -0.04 7.44 7.37 1cg6A1 TRP 263 HZ3 0.12 -0.15 -0.05 -0.04 7.13 7.01 1cg6A1 TRP 263 HH2 0.10 -0.07 -0.34 -0.04 7.19 6.83 1cg6A1 SER 264 H 0.11 0.08 0.12 -0.55 8.46 8.22 1cg6A1 SER 264 HA 0.12 0.18 0.40 -0.75 4.49 4.43 1cg6A1 SER 264 HB2 0.03 0.07 0.04 -0.04 3.95 4.04 1cg6A1 SER 264 HB3 0.06 0.10 0.15 -0.04 3.93 4.20 1cg6A1 GLU 265 H 0.04 0.09 -0.10 -0.55 8.60 8.08 1cg6A1 GLU 265 HA 0.07 0.12 0.45 -0.75 4.29 4.17 1cg6A1 GLU 265 HB2 0.01 0.02 0.08 -0.04 2.09 2.16 1cg6A1 GLU 265 HB3 0.01 -0.01 0.04 -0.04 1.99 2.00 1cg6A1 GLU 265 HG2 0.05 0.01 -0.15 -0.04 2.34 2.21 1cg6A1 GLU 265 HG3 0.06 0.01 0.05 -0.04 2.34 2.42 1cg6A1 THR 266 H 0.09 0.07 -0.25 -0.55 8.28 7.65 1cg6A1 THR 266 HA 0.09 0.05 0.44 -0.75 4.39 4.22 1cg6A1 THR 266 HB 0.33 0.11 0.15 -0.04 4.32 4.88 1cg6A1 THR 266 HG23 0.26 0.00 -0.06 -0.04 1.22 1.38 1cg6A1 LEU 267 H 0.17 0.61 -0.03 -0.55 8.37 8.58 1cg6A1 LEU 267 HA 0.04 0.09 0.47 -0.75 4.35 4.19 1cg6A1 LEU 267 HB2 0.10 0.04 0.13 -0.04 1.64 1.87 1cg6A1 LEU 267 HB3 0.03 0.06 0.10 -0.04 1.64 1.80 1cg6A1 LEU 267 HG 0.21 0.05 0.12 -0.04 1.64 1.97 1cg6A1 LEU 267 HD13 0.08 -0.01 -0.01 -0.04 0.93 0.95 1cg6A1 LEU 267 HD23 -0.15 0.00 0.07 -0.04 0.89 0.77 1cg6A1 HIS 268 H 0.17 0.34 -0.25 -0.55 8.41 8.13 1cg6A1 HIS 268 HA -0.00 0.07 0.51 -0.75 4.63 4.46 1cg6A1 HIS 268 HB2 0.02 0.05 0.15 -0.04 3.26 3.44 1cg6A1 HIS 268 HB3 0.03 0.08 0.22 -0.04 3.20 3.48 1cg6A1 HIS 268 HD2 0.03 -0.01 -0.07 -0.04 6.97 6.88 1cg6A1 HIS 268 HE1 0.02 0.00 0.00 -0.04 7.75 7.73 1cg6A1 ASN 269 H 0.09 0.48 -0.06 -0.55 8.53 8.50 1cg6A1 ASN 269 HA -0.10 0.00 0.48 -0.75 4.76 4.39 1cg6A1 ASN 269 HB2 0.05 0.12 0.18 -0.04 2.88 3.19 1cg6A1 ASN 269 HB3 0.02 -0.04 0.05 -0.04 2.79 2.78 1cg6A1 ASN 269 HD21 0.07 -0.07 -0.00 -0.04 7.03 6.99 1cg6A1 ASN 269 HD22 0.06 -0.03 0.00 -0.04 7.74 7.73 1cg6A1 LEU 270 H -0.00 0.42 -0.20 -0.55 8.37 8.04 1cg6A1 LEU 270 HA -0.02 0.01 0.46 -0.75 4.35 4.04 1cg6A1 LEU 270 HB2 -0.01 0.11 0.15 -0.04 1.64 1.85 1cg6A1 LEU 270 HB3 -0.03 0.04 -0.09 -0.04 1.64 1.51 1cg6A1 LEU 270 HG 0.03 -0.04 0.00 -0.04 1.64 1.59 1cg6A1 LEU 270 HD13 -0.01 -0.02 -0.28 -0.04 0.93 0.58 1cg6A1 LEU 270 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.80 1cg6A1 LYS 271 H -0.09 0.41 -0.20 -0.55 8.42 7.99 1cg6A1 LYS 271 HA -0.10 0.09 0.49 -0.75 4.32 4.04 1cg6A1 LYS 271 HB2 -0.07 0.13 0.20 -0.04 1.87 2.09 1cg6A1 LYS 271 HB3 -0.15 0.09 0.25 -0.04 1.79 1.94 1cg6A1 LYS 271 HG2 -0.16 -0.07 -0.12 -0.04 1.46 1.08 1cg6A1 LYS 271 HG3 -0.09 0.03 0.07 -0.04 1.46 1.42 1cg6A1 LYS 271 HD2 -0.02 0.02 0.03 -0.04 1.69 1.68 1cg6A1 LYS 271 HD3 -0.03 -0.03 0.03 -0.04 1.68 1.61 1cg6A1 LYS 271 HE2 -0.07 -0.03 -0.02 -0.04 2.99 2.83 1cg6A1 LYS 271 HE3 -0.05 0.02 0.01 -0.04 2.99 2.93 1cg6A1 ASN 272 H -0.25 0.47 -0.12 -0.55 8.53 8.08 1cg6A1 ASN 272 HA -0.58 0.01 0.42 -0.75 4.76 3.86 1cg6A1 ASN 272 HB2 -0.17 0.10 0.21 -0.04 2.88 2.98 1cg6A1 ASN 272 HB3 -0.02 -0.05 -0.01 -0.04 2.79 2.67 1cg6A1 ASN 272 HD21 -0.20 -0.05 -0.01 -0.04 7.03 6.73 1cg6A1 ASN 272 HD22 -0.11 -0.03 -0.00 -0.04 7.74 7.56 1cg6A1 MET 273 H -0.10 0.54 -0.09 -0.55 8.47 8.28 1cg6A1 MET 273 HA 0.03 -0.02 0.38 -0.75 4.52 4.16 1cg6A1 MET 273 HB2 -0.00 -0.02 0.14 -0.04 2.15 2.23 1cg6A1 MET 273 HB3 -0.03 0.14 0.16 -0.04 2.03 2.26 1cg6A1 MET 273 HG2 -0.00 0.05 -0.15 -0.04 2.63 2.48 1cg6A1 MET 273 HG3 0.02 -0.06 0.06 -0.04 2.56 2.54 1cg6A1 MET 273 HE3 0.02 -0.02 0.00 -0.04 2.10 2.06 1cg6A1 ALA 274 H -0.10 0.45 -0.28 -0.55 8.40 7.92 1cg6A1 ALA 274 HA -0.04 -0.02 0.42 -0.75 4.34 3.95 1cg6A1 ALA 274 HB3 -0.04 0.08 0.12 -0.04 1.41 1.53 1cg6A1 GLN 275 H -0.24 0.49 -0.09 -0.55 8.47 8.09 1cg6A1 GLN 275 HA -0.10 0.04 0.50 -0.75 4.36 4.05 1cg6A1 GLN 275 HB2 -0.25 0.06 0.15 -0.04 2.15 2.07 1cg6A1 GLN 275 HB3 -0.70 0.04 0.19 -0.04 2.02 1.51 1cg6A1 GLN 275 HG2 -0.15 -0.01 -0.12 -0.04 2.40 2.08 1cg6A1 GLN 275 HG3 -0.09 -0.03 0.07 -0.04 2.39 2.30 1cg6A1 GLN 275 HE21 0.02 -0.05 -0.01 -0.04 6.97 6.90 1cg6A1 GLN 275 HE22 0.06 -0.01 -0.02 -0.04 7.69 7.68 1cg6A1 PHE 276 H -0.28 0.64 -0.05 -0.55 8.34 8.10 1cg6A1 PHE 276 HA -0.02 0.10 0.61 -0.75 4.62 4.55 1cg6A1 PHE 276 HB2 -0.02 0.08 0.09 -0.04 3.15 3.26 1cg6A1 PHE 276 HB3 -0.01 -0.08 0.18 -0.04 3.06 3.11 1cg6A1 PHE 276 HD2 -0.02 0.02 -0.07 -0.04 7.28 7.17 1cg6A1 PHE 276 HE2 -0.01 -0.04 -0.01 -0.04 7.38 7.28 1cg6A1 PHE 276 HZ -0.00 -0.04 0.01 -0.04 7.32 7.24 1cg6A1 SER 277 H -0.00 0.28 -0.68 -0.55 8.46 7.52 1cg6A1 SER 277 HA 0.04 0.11 0.74 -0.75 4.49 4.63 1cg6A1 SER 277 HB2 -0.05 0.17 0.02 -0.04 3.95 4.05 1cg6A1 SER 277 HB3 -0.03 -0.22 -0.20 -0.04 3.93 3.44 1cg6A1 VAL 278 H -0.03 0.31 -0.16 -0.55 8.24 7.82 1cg6A1 VAL 278 HA -0.21 0.17 0.81 -0.75 4.13 4.15 1cg6A1 VAL 278 HB -0.03 0.08 0.11 -0.04 2.12 2.24 1cg6A1 VAL 278 HG13 -0.08 -0.04 -0.23 -0.04 0.97 0.58 1cg6A1 VAL 278 HG23 -0.31 0.01 -0.02 -0.04 0.95 0.59 1cg6A1 LEU 279 H -0.08 0.64 0.33 -0.55 8.37 8.71 1cg6A1 LEU 279 HA 0.02 0.13 0.85 -0.75 4.35 4.60 1cg6A1 LEU 279 HB2 -0.01 -0.05 0.27 -0.04 1.64 1.82 1cg6A1 LEU 279 HB3 0.03 -0.01 0.02 -0.04 1.64 1.64 1cg6A1 LEU 279 HG 0.06 0.09 -0.08 -0.04 1.64 1.67 1cg6A1 LEU 279 HD13 0.11 -0.03 -0.01 -0.04 0.93 0.97 1cg6A1 LEU 279 HD23 0.04 0.01 0.01 -0.04 0.89 0.90 1cg6A1 LEU 280 H 0.03 0.19 0.15 -0.55 8.37 8.19 1cg6A1 LEU 280 HA 0.04 0.11 0.74 -0.75 4.35 4.49 1cg6A1 LEU 280 HB2 0.04 -0.00 0.07 -0.04 1.64 1.70 1cg6A1 LEU 280 HB3 0.04 0.03 0.03 -0.04 1.64 1.70 1cg6A1 LEU 280 HG 0.05 0.03 -0.15 -0.04 1.64 1.53 1cg6A1 LEU 280 HD13 0.05 -0.01 -0.01 -0.04 0.93 0.92 1cg6A1 LEU 280 HD23 0.07 0.00 -0.09 -0.04 0.89 0.84 1cg6A1 PRO 281 HA 0.02 0.10 0.19 -0.51 4.44 4.24 1cg6A1 PRO 281 HB2 0.02 0.02 0.06 -0.04 2.28 2.34 1cg6A1 PRO 281 HB3 0.02 0.03 0.06 -0.04 2.02 2.09 1cg6A1 PRO 281 HG2 0.03 0.03 0.05 -0.04 2.03 2.10 1cg6A1 PRO 281 HG3 0.03 0.04 0.04 -0.04 2.03 2.11 1cg6A1 PRO 281 HD2 0.04 0.11 0.12 -0.04 3.68 3.91 1cg6A1 PRO 281 HD3 0.04 0.15 0.19 -0.04 3.65 3.99