============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 1 0.840 120.898 53.314 9.378 -99.200 -91.000 TYR 8 0.840 120.677 31.296 -6.799 -99.200 -91.000 HIS 12 0.900 125.166 27.096 1.936 -99.200 -91.000 PHE 29 1.000 128.079 52.984 6.479 -99.200 -91.000 TYR 31 0.840 126.943 42.435 3.864 -99.200 -91.000 PHE 33 1.000 120.048 43.376 -2.055 -99.200 -91.000 PHE 40 1.000 128.171 41.980 -11.049 -99.200 -91.000 TYR 66 0.840 129.285 44.912 -15.770 -99.200 -91.000 TYR 89 0.840 136.715 56.316 -10.445 -99.200 -91.000 TYR 93 0.840 139.525 48.403 -2.743 -99.200 -91.000 HIS 100 0.900 145.244 32.060 3.641 -99.200 -91.000 PHE 109 1.000 155.876 31.333 8.480 -99.200 -91.000 PHE 142 1.000 152.782 20.311 -6.563 -99.200 -91.000 PHE 148 1.000 138.658 25.845 -10.913 -99.200 -91.000 PHE 149 1.000 147.770 21.627 -15.123 -99.200 -91.000 PHE 155 1.000 147.885 33.151 -9.802 -99.200 -91.000 PHE 178 1.000 151.491 17.296 -2.449 -99.200 -91.000 HIS 211 0.900 159.605 20.763 6.166 -99.200 -91.000 TYR 221 0.840 134.076 29.418 5.890 -99.200 -91.000 HIS 224 0.900 137.943 24.968 14.251 -99.200 -91.000 TYR 242 0.840 135.866 29.240 12.203 -99.200 -91.000 TRP 246 1.040 142.964 38.845 10.481 -99.200 -91.000 TRP6 246 1.020 143.335 40.975 11.441 -99.200 -91.000 PHE 252 1.000 133.095 47.452 10.339 -99.200 -91.000 TRP 255 1.040 131.992 48.158 1.603 -99.200 -91.000 TRP6 255 1.020 131.682 45.920 2.354 -99.200 -91.000 PHE 260 1.000 135.128 42.643 11.494 -99.200 -91.000 TYR 264 0.840 130.405 42.193 19.189 -99.200 -91.000 PHE 270 1.000 133.835 32.296 13.698 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o9bB1 TYR 7 HA -0.19 0.17 0.27 -0.75 4.56 4.06 1o9bB1 TYR 7 HB2 -0.06 -0.08 0.05 -0.04 3.06 2.93 1o9bB1 TYR 7 HB3 -0.04 -0.04 0.00 -0.04 2.98 2.86 1o9bB1 TYR 7 HD2 -0.04 0.01 -0.21 -0.04 7.15 6.86 1o9bB1 TYR 7 HE2 -0.00 0.05 -0.22 -0.04 6.85 6.64 1o9bB1 GLU 8 H -0.23 0.52 0.33 -0.55 8.60 8.68 1o9bB1 GLU 8 HA 0.08 0.24 1.22 -0.75 4.29 5.08 1o9bB1 GLU 8 HB2 0.14 -0.03 0.17 -0.04 2.09 2.33 1o9bB1 GLU 8 HB3 0.15 0.16 0.19 -0.04 1.99 2.45 1o9bB1 GLU 8 HG2 0.05 0.13 0.15 -0.04 2.34 2.63 1o9bB1 GLU 8 HG3 -0.01 -0.04 -0.14 -0.04 2.34 2.10 1o9bB1 LEU 9 H 0.07 0.24 0.14 -0.55 8.37 8.27 1o9bB1 LEU 9 HA 0.07 0.16 0.78 -0.75 4.35 4.61 1o9bB1 LEU 9 HB2 0.05 -0.03 0.03 -0.04 1.64 1.65 1o9bB1 LEU 9 HB3 0.02 0.05 0.02 -0.04 1.64 1.68 1o9bB1 LEU 9 HG 0.02 -0.03 -0.42 -0.04 1.64 1.17 1o9bB1 LEU 9 HD13 0.09 0.03 -0.05 -0.04 0.93 0.95 1o9bB1 LEU 9 HD23 0.08 -0.03 -0.11 -0.04 0.89 0.79 1o9bB1 ILE 10 H -0.09 0.69 0.41 -0.55 8.25 8.71 1o9bB1 ILE 10 HA -0.40 0.32 0.84 -0.75 4.18 4.19 1o9bB1 ILE 10 HB -0.37 -0.09 -0.02 -0.04 1.89 1.37 1o9bB1 ILE 10 HG12 -0.55 0.09 -0.19 -0.04 1.49 0.81 1o9bB1 ILE 10 HG13 -0.17 0.01 -0.33 -0.04 1.21 0.68 1o9bB1 ILE 10 HG23 -1.63 -0.01 -0.20 -0.04 0.93 -0.95 1o9bB1 ILE 10 HD13 -0.64 -0.02 -0.19 -0.04 0.88 -0.00 1o9bB1 GLY 11 H -0.30 0.36 0.35 -0.55 8.43 8.30 1o9bB1 GLY 11 HA2 -0.39 0.28 1.10 -0.51 4.01 4.49 1o9bB1 GLY 11 HA3 0.03 0.02 0.39 -0.51 4.01 3.94 1o9bB1 LEU 12 H -0.02 0.35 0.17 -0.55 8.37 8.33 1o9bB1 LEU 12 HA 0.08 0.10 0.53 -0.75 4.35 4.30 1o9bB1 LEU 12 HB2 -0.03 0.08 -0.16 -0.04 1.64 1.49 1o9bB1 LEU 12 HB3 0.06 -0.01 0.08 -0.04 1.64 1.73 1o9bB1 LEU 12 HG 0.37 0.01 -0.05 -0.04 1.64 1.93 1o9bB1 LEU 12 HD13 0.16 0.01 -0.07 -0.04 0.93 0.99 1o9bB1 LEU 12 HD23 0.19 -0.01 -0.15 -0.04 0.89 0.88 1o9bB1 ALA 14 HA 0.14 -0.00 0.21 -0.75 4.34 3.94 1o9bB1 ALA 14 HB3 0.11 -0.09 0.02 -0.04 1.41 1.41 1o9bB1 TYR 15 H 0.13 0.13 0.00 -0.55 8.29 8.00 1o9bB1 TYR 15 HA 0.05 -0.08 0.39 -0.75 4.56 4.16 1o9bB1 TYR 15 HB2 0.05 0.10 -0.32 -0.04 3.06 2.85 1o9bB1 TYR 15 HB3 0.03 -0.07 0.02 -0.04 2.98 2.93 1o9bB1 TYR 15 HD2 0.03 0.03 -0.03 -0.04 7.15 7.14 1o9bB1 TYR 15 HE2 0.03 0.00 -0.01 -0.04 6.85 6.83 1o9bB1 PRO 16 HA -0.70 0.10 0.32 -0.51 4.44 3.65 1o9bB1 PRO 16 HB2 -0.20 -0.09 0.09 -0.04 2.28 2.03 1o9bB1 PRO 16 HB3 -0.50 0.07 0.12 -0.04 2.02 1.67 1o9bB1 PRO 16 HG2 -0.22 0.02 -0.02 -0.04 2.03 1.77 1o9bB1 PRO 16 HG3 -0.26 0.07 0.07 -0.04 2.03 1.87 1o9bB1 PRO 16 HD2 -0.13 0.12 0.44 -0.04 3.68 4.06 1o9bB1 PRO 16 HD3 -0.26 0.09 0.18 -0.04 3.65 3.62 1o9bB1 ILE 17 H -0.07 -0.07 0.16 -0.55 8.25 7.72 1o9bB1 ILE 17 HA 0.05 0.17 0.72 -0.75 4.18 4.37 1o9bB1 ILE 17 HB 0.06 0.07 -0.14 -0.04 1.89 1.84 1o9bB1 ILE 17 HG12 0.09 -0.07 -0.15 -0.04 1.49 1.32 1o9bB1 ILE 17 HG13 0.05 -0.07 -0.10 -0.04 1.21 1.05 1o9bB1 ILE 17 HG23 0.10 0.04 -0.40 -0.04 0.93 0.63 1o9bB1 ILE 17 HD13 0.05 0.04 -0.36 -0.04 0.88 0.57 1o9bB1 ARG 18 H 0.02 -0.06 0.15 -0.55 8.46 8.02 1o9bB1 ARG 18 HA 0.04 0.16 0.35 -0.75 4.34 4.13 1o9bB1 ARG 18 HB2 0.04 0.05 0.12 -0.04 1.90 2.07 1o9bB1 ARG 18 HB3 0.05 0.00 0.14 -0.04 1.80 1.94 1o9bB1 ARG 18 HG2 0.02 0.11 -0.31 -0.04 1.67 1.44 1o9bB1 ARG 18 HG3 0.02 0.03 0.02 -0.04 1.67 1.70 1o9bB1 ARG 18 HD2 0.06 0.03 -0.10 -0.04 3.22 3.17 1o9bB1 ARG 18 HD3 0.04 0.01 -0.02 -0.04 3.22 3.21 1o9bB1 HIS 19 H 0.18 -0.21 -0.94 -0.55 8.41 6.90 1o9bB1 HIS 19 HA 0.03 0.15 0.48 -0.75 4.63 4.53 1o9bB1 HIS 19 HB2 0.01 -0.13 -0.09 -0.04 3.26 3.00 1o9bB1 HIS 19 HB3 0.04 0.03 -0.18 -0.04 3.20 3.05 1o9bB1 HIS 19 HD2 0.02 0.03 -0.06 -0.04 6.97 6.92 1o9bB1 HIS 19 HE1 -0.01 -0.02 -0.04 -0.04 7.75 7.63 1o9bB1 SER 20 H 0.14 0.19 -0.05 -0.55 8.46 8.19 1o9bB1 SER 20 HA 0.14 -0.07 0.27 -0.75 4.49 4.07 1o9bB1 SER 20 HB2 0.11 0.05 0.16 -0.04 3.95 4.24 1o9bB1 SER 20 HB3 0.11 0.07 -0.03 -0.04 3.93 4.04 1o9bB1 LEU 21 H 0.09 0.03 0.18 -0.55 8.37 8.11 1o9bB1 LEU 21 HA 0.03 0.22 0.80 -0.75 4.35 4.66 1o9bB1 LEU 21 HB2 0.02 -0.06 0.05 -0.04 1.64 1.61 1o9bB1 LEU 21 HB3 0.04 0.06 0.05 -0.04 1.64 1.75 1o9bB1 LEU 21 HG 0.12 -0.02 -0.09 -0.04 1.64 1.62 1o9bB1 LEU 21 HD13 0.08 0.01 -0.03 -0.04 0.93 0.94 1o9bB1 LEU 21 HD23 0.06 0.04 -0.02 -0.04 0.89 0.94 1o9bB1 SER 22 H 0.05 -0.10 0.01 -0.55 8.46 7.88 1o9bB1 SER 22 HA -0.07 0.10 0.27 -0.75 4.49 4.04 1o9bB1 SER 22 HB2 0.12 -0.01 0.02 -0.04 3.95 4.04 1o9bB1 SER 22 HB3 -0.11 0.06 -0.06 -0.04 3.93 3.78 1o9bB1 PRO 23 HA -0.11 0.06 0.31 -0.51 4.44 4.19 1o9bB1 PRO 23 HB2 0.04 -0.02 -0.03 -0.04 2.28 2.22 1o9bB1 PRO 23 HB3 0.11 0.12 -0.07 -0.04 2.02 2.14 1o9bB1 PRO 23 HG2 0.09 0.08 -0.11 -0.04 2.03 2.06 1o9bB1 PRO 23 HG3 0.26 0.06 -0.15 -0.04 2.03 2.16 1o9bB1 PRO 23 HD2 0.05 0.17 -0.58 -0.04 3.68 3.28 1o9bB1 PRO 23 HD3 0.12 -0.08 -0.07 -0.04 3.65 3.58 1o9bB1 GLU 24 H -0.01 0.15 -0.26 -0.55 8.60 7.93 1o9bB1 GLU 24 HA -0.01 0.01 0.19 -0.75 4.29 3.73 1o9bB1 GLU 24 HB2 -0.02 -0.02 0.07 -0.04 2.09 2.08 1o9bB1 GLU 24 HB3 -0.03 0.14 0.09 -0.04 1.99 2.15 1o9bB1 GLU 24 HG2 -0.08 0.01 0.08 -0.04 2.34 2.32 1o9bB1 GLU 24 HG3 -0.04 -0.06 0.08 -0.04 2.34 2.28 1o9bB1 GLN 26 HA 0.21 -0.14 0.31 -0.75 4.36 3.99 1o9bB1 GLN 26 HB2 -0.58 0.11 0.07 -0.04 2.15 1.71 1o9bB1 GLN 26 HB3 0.01 -0.07 -0.09 -0.04 2.02 1.84 1o9bB1 GLN 26 HG2 -0.27 0.09 0.10 -0.04 2.40 2.27 1o9bB1 GLN 26 HG3 -0.46 -0.06 -0.06 -0.04 2.39 1.77 1o9bB1 GLN 26 HE21 0.05 0.12 0.03 -0.04 6.97 7.12 1o9bB1 GLN 26 HE22 0.06 -0.05 0.02 -0.04 7.69 7.68 1o9bB1 ASN 27 H -0.01 0.85 -0.48 -0.55 8.53 8.34 1o9bB1 ASN 27 HA 0.14 0.01 0.55 -0.75 4.76 4.71 1o9bB1 ASN 27 HB2 0.04 0.21 0.10 -0.04 2.88 3.19 1o9bB1 ASN 27 HB3 0.07 -0.08 0.05 -0.04 2.79 2.80 1o9bB1 ASN 27 HD21 0.16 0.39 0.08 -0.04 7.03 7.63 1o9bB1 ASN 27 HD22 0.08 0.02 -0.04 -0.04 7.74 7.76 1o9bB1 LYS 28 H 0.02 0.70 0.35 -0.55 8.42 8.93 1o9bB1 LYS 28 HA 0.07 0.02 0.47 -0.75 4.32 4.13 1o9bB1 LYS 28 HB2 -0.05 0.04 0.08 -0.04 1.87 1.90 1o9bB1 LYS 28 HB3 0.00 -0.08 -0.02 -0.04 1.79 1.65 1o9bB1 LYS 28 HG2 -0.04 0.32 0.17 -0.04 1.46 1.87 1o9bB1 LYS 28 HG3 -0.12 -0.02 0.06 -0.04 1.46 1.33 1o9bB1 LYS 28 HD2 0.01 -0.05 0.06 -0.04 1.69 1.66 1o9bB1 LYS 28 HD3 0.02 -0.04 0.02 -0.04 1.68 1.64 1o9bB1 LYS 28 HE2 -0.03 -0.01 0.03 -0.04 2.99 2.93 1o9bB1 LYS 28 HE3 -0.08 0.05 0.04 -0.04 2.99 2.96 1o9bB1 ALA 29 H 0.06 0.21 -0.28 -0.55 8.40 7.84 1o9bB1 ALA 29 HA -0.07 0.06 0.59 -0.75 4.34 4.16 1o9bB1 ALA 29 HB3 -0.41 0.03 0.02 -0.04 1.41 1.00 1o9bB1 LEU 30 H 0.24 0.50 -0.14 -0.55 8.37 8.43 1o9bB1 LEU 30 HA 0.37 0.02 0.41 -0.75 4.35 4.40 1o9bB1 LEU 30 HB2 0.23 0.12 0.25 -0.04 1.64 2.21 1o9bB1 LEU 30 HB3 0.20 0.08 -0.02 -0.04 1.64 1.86 1o9bB1 LEU 30 HG 0.28 -0.01 -0.12 -0.04 1.64 1.75 1o9bB1 LEU 30 HD13 0.21 -0.01 -0.09 -0.04 0.93 0.99 1o9bB1 LEU 30 HD23 0.21 0.03 -0.27 -0.04 0.89 0.82 1o9bB1 GLU 31 H 0.12 0.64 -0.04 -0.55 8.60 8.77 1o9bB1 GLU 31 HA 0.08 0.04 0.49 -0.75 4.29 4.14 1o9bB1 GLU 31 HB2 0.07 0.09 0.16 -0.04 2.09 2.36 1o9bB1 GLU 31 HB3 0.05 -0.08 0.07 -0.04 1.99 1.99 1o9bB1 GLU 31 HG2 0.09 -0.04 0.08 -0.04 2.34 2.43 1o9bB1 GLU 31 HG3 0.11 0.16 0.21 -0.04 2.34 2.77 1o9bB1 LYS 32 H 0.01 0.35 -0.35 -0.55 8.42 7.87 1o9bB1 LYS 32 HA -0.17 -0.01 0.40 -0.75 4.32 3.78 1o9bB1 LYS 32 HB2 -0.34 0.13 0.19 -0.04 1.87 1.81 1o9bB1 LYS 32 HB3 -0.20 0.11 0.18 -0.04 1.79 1.84 1o9bB1 LYS 32 HG2 -0.79 -0.09 0.03 -0.04 1.46 0.57 1o9bB1 LYS 32 HG3 -0.36 0.00 -0.09 -0.04 1.46 0.97 1o9bB1 LYS 32 HD2 -0.47 0.01 0.10 -0.04 1.69 1.30 1o9bB1 LYS 32 HD3 -1.64 0.01 0.04 -0.04 1.68 0.05 1o9bB1 LYS 32 HE2 -0.46 -0.02 0.02 -0.04 2.99 2.48 1o9bB1 LYS 32 HE3 -0.82 -0.06 0.02 -0.04 2.99 2.09 1o9bB1 ALA 33 H 0.04 0.36 -0.42 -0.55 8.40 7.84 1o9bB1 ALA 33 HA -0.02 0.12 0.78 -0.75 4.34 4.47 1o9bB1 ALA 33 HB3 0.12 -0.01 0.08 -0.04 1.41 1.55 1o9bB1 GLY 34 H 0.02 0.37 -0.42 -0.55 8.43 7.85 1o9bB1 GLY 34 HA2 0.02 0.01 0.33 -0.51 4.01 3.86 1o9bB1 GLY 34 HA3 0.00 -0.06 0.37 -0.51 4.01 3.82 1o9bB1 LEU 35 H 0.07 0.49 -0.05 -0.55 8.37 8.34 1o9bB1 LEU 35 HA -0.03 0.19 0.76 -0.75 4.35 4.52 1o9bB1 LEU 35 HB2 0.17 0.06 0.08 -0.04 1.64 1.91 1o9bB1 LEU 35 HB3 0.28 -0.08 -0.09 -0.04 1.64 1.71 1o9bB1 LEU 35 HG 0.28 0.02 -0.01 -0.04 1.64 1.89 1o9bB1 LEU 35 HD13 0.05 0.05 -0.04 -0.04 0.93 0.95 1o9bB1 LEU 35 HD23 0.10 -0.03 -0.06 -0.04 0.89 0.86 1o9bB1 PRO 36 HA -1.20 0.10 0.48 -0.51 4.44 3.31 1o9bB1 PRO 36 HB2 -0.72 0.06 0.29 -0.04 2.28 1.86 1o9bB1 PRO 36 HB3 -0.49 -0.00 0.14 -0.04 2.02 1.63 1o9bB1 PRO 36 HG2 -1.13 0.04 0.05 -0.04 2.03 0.96 1o9bB1 PRO 36 HG3 -0.39 0.01 0.12 -0.04 2.03 1.72 1o9bB1 PRO 36 HD2 -0.15 0.09 0.19 -0.04 3.68 3.77 1o9bB1 PRO 36 HD3 -0.20 0.19 0.25 -0.04 3.65 3.84 1o9bB1 PHE 37 H -0.10 0.48 -0.15 -0.55 8.34 8.02 1o9bB1 PHE 37 HA -0.01 0.31 0.89 -0.75 4.62 5.06 1o9bB1 PHE 37 HB2 -0.01 -0.09 -0.17 -0.04 3.15 2.84 1o9bB1 PHE 37 HB3 -0.03 0.03 -0.03 -0.04 3.06 2.99 1o9bB1 PHE 37 HD2 -0.08 -0.00 -0.17 -0.04 7.28 6.99 1o9bB1 PHE 37 HE2 -0.06 -0.00 -0.02 -0.04 7.38 7.26 1o9bB1 PHE 37 HZ -0.03 0.03 0.02 -0.04 7.32 7.29 1o9bB1 THR 38 H 0.24 0.58 0.28 -0.55 8.28 8.84 1o9bB1 THR 38 HA 0.21 0.09 0.75 -0.75 4.39 4.68 1o9bB1 THR 38 HB 0.14 -0.00 -0.02 -0.04 4.32 4.40 1o9bB1 THR 38 HG23 0.07 -0.01 -0.10 -0.04 1.22 1.13 1o9bB1 TYR 39 H 0.20 0.16 0.04 -0.55 8.29 8.13 1o9bB1 TYR 39 HA -0.08 0.54 0.82 -0.75 4.56 5.09 1o9bB1 TYR 39 HB2 -0.01 -0.02 -0.15 -0.04 3.06 2.84 1o9bB1 TYR 39 HB3 0.02 0.00 0.03 -0.04 2.98 3.00 1o9bB1 TYR 39 HD2 -0.13 -0.01 -0.21 -0.04 7.15 6.76 1o9bB1 TYR 39 HE2 0.04 -0.07 -0.20 -0.04 6.85 6.58 1o9bB1 ALA 41 HA -0.15 -0.10 0.31 -0.75 4.34 3.65 1o9bB1 ALA 41 HB3 0.01 -0.03 -0.05 -0.04 1.41 1.30 1o9bB1 PHE 42 H 0.07 0.69 0.30 -0.55 8.34 8.85 1o9bB1 PHE 42 HA 0.03 0.10 0.83 -0.75 4.62 4.82 1o9bB1 PHE 42 HB2 -0.00 0.02 0.02 -0.04 3.15 3.15 1o9bB1 PHE 42 HB3 0.00 -0.03 -0.05 -0.04 3.06 2.94 1o9bB1 PHE 42 HD2 -0.04 -0.07 0.00 -0.04 7.28 7.13 1o9bB1 PHE 42 HE2 -0.07 -0.02 -0.08 -0.04 7.38 7.17 1o9bB1 PHE 42 HZ -0.05 0.02 -0.11 -0.04 7.32 7.14 1o9bB1 GLU 43 H 0.18 0.09 0.11 -0.55 8.60 8.43 1o9bB1 GLU 43 HA 0.25 0.40 0.78 -0.75 4.29 4.97 1o9bB1 GLU 43 HB2 0.15 -0.03 0.20 -0.04 2.09 2.37 1o9bB1 GLU 43 HB3 0.24 -0.06 0.05 -0.04 1.99 2.18 1o9bB1 GLU 43 HG2 0.35 -0.07 0.03 -0.04 2.34 2.60 1o9bB1 GLU 43 HG3 0.17 0.03 -0.02 -0.04 2.34 2.48 1o9bB1 VAL 44 H 0.20 0.94 0.30 -0.55 8.24 9.12 1o9bB1 VAL 44 HA 0.06 0.00 0.74 -0.75 4.13 4.18 1o9bB1 VAL 44 HB 0.17 0.19 -0.09 -0.04 2.12 2.35 1o9bB1 VAL 44 HG13 0.13 -0.04 -0.32 -0.04 0.97 0.69 1o9bB1 VAL 44 HG23 0.07 -0.01 -0.45 -0.04 0.95 0.51 1o9bB1 ASP 45 H 0.04 0.02 0.07 -0.55 8.40 7.98 1o9bB1 ASP 45 HA 0.09 0.31 0.82 -0.75 4.63 5.09 1o9bB1 ASP 45 HB2 0.04 -0.03 0.18 -0.04 2.71 2.87 1o9bB1 ASP 45 HB3 0.01 0.11 -0.11 -0.04 2.70 2.66 1o9bB1 ASN 46 H 0.03 0.20 0.13 -0.55 8.53 8.34 1o9bB1 ASN 46 HA 0.02 0.11 0.32 -0.75 4.76 4.45 1o9bB1 ASN 46 HB2 0.01 -0.04 0.15 -0.04 2.88 2.96 1o9bB1 ASN 46 HB3 0.02 0.06 0.02 -0.04 2.79 2.85 1o9bB1 ASN 46 HD21 -0.02 0.03 0.08 -0.04 7.03 7.09 1o9bB1 ASN 46 HD22 0.00 -0.01 0.05 -0.04 7.74 7.75 1o9bB1 ASP 47 H 0.02 0.02 -0.23 -0.55 8.40 7.66 1o9bB1 ASP 47 HA 0.03 0.18 0.58 -0.75 4.63 4.67 1o9bB1 ASP 47 HB2 -0.00 -0.05 0.05 -0.04 2.71 2.67 1o9bB1 ASP 47 HB3 0.00 0.06 0.01 -0.04 2.70 2.73 1o9bB1 SER 48 H 0.02 0.01 -0.09 -0.55 8.46 7.86 1o9bB1 SER 48 HA -0.02 0.18 0.77 -0.75 4.49 4.66 1o9bB1 SER 48 HB2 -0.03 0.06 0.11 -0.04 3.95 4.05 1o9bB1 SER 48 HB3 -0.02 0.01 0.06 -0.04 3.93 3.94 1o9bB1 PHE 49 H 0.14 0.34 -0.32 -0.55 8.34 7.95 1o9bB1 PHE 49 HA -0.09 0.02 0.23 -0.75 4.62 4.03 1o9bB1 PHE 49 HB2 -0.04 0.04 -0.12 -0.04 3.15 2.99 1o9bB1 PHE 49 HB3 -0.10 0.12 0.01 -0.04 3.06 3.05 1o9bB1 PHE 49 HD2 -0.22 0.04 -0.20 -0.04 7.28 6.85 1o9bB1 PHE 49 HE2 -0.03 0.05 -0.16 -0.04 7.38 7.20 1o9bB1 PHE 49 HZ 0.03 0.02 -0.11 -0.04 7.32 7.22 1o9bB1 PRO 50 HA -0.70 0.09 0.38 -0.51 4.44 3.70 1o9bB1 PRO 50 HB2 -0.05 0.01 -0.00 -0.04 2.28 2.20 1o9bB1 PRO 50 HB3 -0.03 0.05 0.04 -0.04 2.02 2.05 1o9bB1 PRO 50 HG2 0.07 0.06 0.05 -0.04 2.03 2.17 1o9bB1 PRO 50 HG3 0.04 0.03 0.03 -0.04 2.03 2.10 1o9bB1 PRO 50 HD2 -0.00 0.23 -0.32 -0.04 3.68 3.54 1o9bB1 PRO 50 HD3 0.11 0.20 -0.02 -0.04 3.65 3.90 1o9bB1 GLY 51 H -0.12 0.22 -0.26 -0.55 8.43 7.72 1o9bB1 GLY 51 HA2 -0.10 0.05 0.43 -0.51 4.01 3.87 1o9bB1 GLY 51 HA3 -0.10 0.06 0.27 -0.51 4.01 3.73 1o9bB1 ALA 52 H -0.23 0.47 -0.20 -0.55 8.40 7.89 1o9bB1 ALA 52 HA -0.21 0.03 0.42 -0.75 4.34 3.81 1o9bB1 ALA 52 HB3 -0.27 0.05 0.02 -0.04 1.41 1.17 1o9bB1 ILE 53 H -0.51 0.53 -0.17 -0.55 8.25 7.55 1o9bB1 ILE 53 HA -0.28 0.01 0.36 -0.75 4.18 3.53 1o9bB1 ILE 53 HB -0.45 0.15 0.14 -0.04 1.89 1.68 1o9bB1 ILE 53 HG12 -1.36 0.06 -0.06 -0.04 1.49 0.09 1o9bB1 ILE 53 HG13 -0.43 0.00 -0.07 -0.04 1.21 0.67 1o9bB1 ILE 53 HG23 -0.05 0.00 -0.12 -0.04 0.93 0.72 1o9bB1 ILE 53 HD13 -0.23 -0.01 -0.11 -0.04 0.88 0.49 1o9bB1 GLU 54 H -0.19 0.35 -0.30 -0.55 8.60 7.91 1o9bB1 GLU 54 HA -0.06 0.01 0.36 -0.75 4.29 3.84 1o9bB1 GLU 54 HB2 -0.10 0.01 0.23 -0.04 2.09 2.19 1o9bB1 GLU 54 HB3 -0.07 0.01 -0.01 -0.04 1.99 1.88 1o9bB1 GLU 54 HG2 -0.03 0.01 0.03 -0.04 2.34 2.31 1o9bB1 GLU 54 HG3 -0.03 -0.05 0.01 -0.04 2.34 2.23 1o9bB1 GLY 55 H -0.15 0.46 -0.24 -0.55 8.43 7.95 1o9bB1 GLY 55 HA2 -0.09 -0.03 0.38 -0.51 4.01 3.75 1o9bB1 GLY 55 HA3 -0.15 0.03 0.29 -0.51 4.01 3.68 1o9bB1 LEU 56 H -0.15 0.65 -0.08 -0.55 8.37 8.24 1o9bB1 LEU 56 HA -0.10 0.02 0.29 -0.75 4.35 3.81 1o9bB1 LEU 56 HB2 -0.12 -0.04 0.01 -0.04 1.64 1.45 1o9bB1 LEU 56 HB3 -0.11 0.12 0.14 -0.04 1.64 1.75 1o9bB1 LEU 56 HG -0.03 0.03 -0.17 -0.04 1.64 1.43 1o9bB1 LEU 56 HD13 -0.02 -0.02 -0.20 -0.04 0.93 0.65 1o9bB1 LEU 56 HD23 -0.01 -0.00 -0.25 -0.04 0.89 0.59 1o9bB1 LYS 57 H -0.06 0.47 -0.27 -0.55 8.42 8.01 1o9bB1 LYS 57 HA -0.01 0.01 0.49 -0.75 4.32 4.06 1o9bB1 LYS 57 HB2 -0.02 0.08 0.13 -0.04 1.87 2.01 1o9bB1 LYS 57 HB3 0.00 -0.05 0.02 -0.04 1.79 1.72 1o9bB1 LYS 57 HG2 0.01 -0.06 -0.03 -0.04 1.46 1.33 1o9bB1 LYS 57 HG3 -0.03 0.03 0.00 -0.04 1.46 1.43 1o9bB1 LYS 57 HD2 -0.01 -0.01 -0.08 -0.04 1.69 1.55 1o9bB1 LYS 57 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.58 1o9bB1 LYS 57 HE2 0.01 -0.03 0.02 -0.04 2.99 2.96 1o9bB1 LYS 57 HE3 0.01 0.06 0.02 -0.04 2.99 3.05 1o9bB1 ALA 58 H -0.04 0.57 0.04 -0.55 8.40 8.42 1o9bB1 ALA 58 HA -0.01 0.01 0.45 -0.75 4.34 4.04 1o9bB1 ALA 58 HB3 -0.03 -0.02 0.10 -0.04 1.41 1.41 1o9bB1 LEU 59 H -0.05 0.72 -0.16 -0.55 8.37 8.34 1o9bB1 LEU 59 HA -0.02 0.03 0.55 -0.75 4.35 4.15 1o9bB1 LEU 59 HB2 -0.07 0.30 0.04 -0.04 1.64 1.87 1o9bB1 LEU 59 HB3 -0.04 0.00 -0.01 -0.04 1.64 1.55 1o9bB1 LEU 59 HG -0.04 -0.01 0.03 -0.04 1.64 1.58 1o9bB1 LEU 59 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.77 1o9bB1 LEU 59 HD23 -0.11 -0.03 -0.07 -0.04 0.89 0.64 1o9bB1 LYS 60 H -0.01 0.21 -0.68 -0.55 8.42 7.39 1o9bB1 LYS 60 HA 0.01 0.01 0.24 -0.75 4.32 3.83 1o9bB1 LYS 60 HB2 0.01 0.16 0.08 -0.04 1.87 2.07 1o9bB1 LYS 60 HB3 0.02 -0.07 0.10 -0.04 1.79 1.80 1o9bB1 LYS 60 HG2 0.01 0.00 -0.02 -0.04 1.46 1.41 1o9bB1 LYS 60 HG3 0.00 0.09 -0.33 -0.04 1.46 1.18 1o9bB1 LYS 60 HD2 0.01 0.01 -0.04 -0.04 1.69 1.64 1o9bB1 LYS 60 HD3 0.02 -0.06 -0.01 -0.04 1.68 1.59 1o9bB1 LYS 60 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 1o9bB1 LYS 60 HE3 0.00 0.07 -0.02 -0.04 2.99 3.00 1o9bB1 ARG 62 HA 0.08 -0.05 0.20 -0.75 4.34 3.82 1o9bB1 ARG 62 HB2 0.21 -0.01 0.12 -0.04 1.90 2.18 1o9bB1 ARG 62 HB3 -0.07 0.03 0.01 -0.04 1.80 1.72 1o9bB1 ARG 62 HG2 -0.17 0.07 -0.01 -0.04 1.67 1.52 1o9bB1 ARG 62 HG3 -0.02 -0.12 -0.13 -0.04 1.67 1.35 1o9bB1 ARG 62 HD2 0.13 -0.04 0.23 -0.04 3.22 3.50 1o9bB1 ARG 62 HD3 0.19 -0.01 0.10 -0.04 3.22 3.45 1o9bB1 GLY 63 H -0.14 0.53 0.40 -0.55 8.43 8.68 1o9bB1 GLY 63 HA2 0.07 -0.11 0.32 -0.51 4.01 3.78 1o9bB1 GLY 63 HA3 0.08 0.14 0.69 -0.51 4.01 4.41 1o9bB1 THR 64 H 0.27 0.54 0.35 -0.55 8.28 8.89 1o9bB1 THR 64 HA -0.22 0.05 0.65 -0.75 4.39 4.12 1o9bB1 THR 64 HB -0.03 0.09 -0.18 -0.04 4.32 4.16 1o9bB1 THR 64 HG23 0.10 -0.02 -0.24 -0.04 1.22 1.02 1o9bB1 GLY 65 H 0.05 0.75 0.30 -0.55 8.43 8.98 1o9bB1 GLY 65 HA2 0.46 0.18 0.93 -0.51 4.01 5.06 1o9bB1 GLY 65 HA3 0.40 0.01 0.43 -0.51 4.01 4.34 1o9bB1 VAL 66 H 0.21 0.50 0.18 -0.55 8.24 8.58 1o9bB1 VAL 66 HA 0.19 0.16 0.82 -0.75 4.13 4.54 1o9bB1 VAL 66 HB 0.14 -0.03 -0.04 -0.04 2.12 2.16 1o9bB1 VAL 66 HG13 0.08 -0.00 -0.25 -0.04 0.97 0.76 1o9bB1 VAL 66 HG23 0.26 0.02 -0.48 -0.04 0.95 0.70 1o9bB1 SER 67 H 0.12 0.29 0.13 -0.55 8.46 8.46 1o9bB1 SER 67 HA 0.08 0.21 0.75 -0.75 4.49 4.78 1o9bB1 SER 67 HB2 0.12 0.07 -0.14 -0.04 3.95 3.95 1o9bB1 SER 67 HB3 0.10 0.08 0.08 -0.04 3.93 4.16 1o9bB1 PRO 69 HA 0.02 -0.10 0.05 -0.51 4.44 3.90 1o9bB1 PRO 69 HB2 0.01 -0.05 0.24 -0.04 2.28 2.43 1o9bB1 PRO 69 HB3 0.04 0.04 0.21 -0.04 2.02 2.27 1o9bB1 PRO 69 HG2 0.03 -0.10 -0.00 -0.04 2.03 1.91 1o9bB1 PRO 69 HG3 0.07 -0.04 0.16 -0.04 2.03 2.18 1o9bB1 PRO 69 HD2 0.10 0.14 0.12 -0.04 3.68 4.00 1o9bB1 PRO 69 HD3 0.12 0.27 0.26 -0.04 3.65 4.25 1o9bB1 ASN 70 H -0.01 0.71 0.05 -0.55 8.53 8.73 1o9bB1 ASN 70 HA -0.20 0.17 0.98 -0.75 4.76 4.95 1o9bB1 ASN 70 HB2 -0.08 0.11 0.12 -0.04 2.88 2.99 1o9bB1 ASN 70 HB3 -0.82 -0.04 0.09 -0.04 2.79 1.97 1o9bB1 ASN 70 HD21 0.15 0.39 -0.18 -0.04 7.03 7.35 1o9bB1 ASN 70 HD22 0.15 0.05 0.06 -0.04 7.74 7.97 1o9bB1 LYS 71 H -0.03 0.08 -0.19 -0.55 8.42 7.72 1o9bB1 LYS 71 HA -0.01 0.26 0.32 -0.75 4.32 4.14 1o9bB1 LYS 71 HB2 0.01 -0.08 0.03 -0.04 1.87 1.78 1o9bB1 LYS 71 HB3 0.02 -0.02 -0.10 -0.04 1.79 1.65 1o9bB1 LYS 71 HG2 0.05 0.23 -0.08 -0.04 1.46 1.62 1o9bB1 LYS 71 HG3 0.03 -0.09 -0.15 -0.04 1.46 1.22 1o9bB1 LYS 71 HD2 0.05 -0.02 0.07 -0.04 1.69 1.75 1o9bB1 LYS 71 HD3 0.03 -0.07 -0.00 -0.04 1.68 1.60 1o9bB1 LYS 71 HE2 0.02 -0.02 -0.08 -0.04 2.99 2.87 1o9bB1 LYS 71 HE3 0.04 0.04 -0.14 -0.04 2.99 2.89 1o9bB1 GLN 72 H -0.04 0.06 -0.15 -0.55 8.47 7.79 1o9bB1 GLN 72 HA -0.00 0.26 0.60 -0.75 4.36 4.46 1o9bB1 GLN 72 HB2 -0.02 -0.11 0.10 -0.04 2.15 2.08 1o9bB1 GLN 72 HB3 -0.02 0.04 -0.09 -0.04 2.02 1.92 1o9bB1 GLN 72 HG2 0.00 0.13 0.09 -0.04 2.40 2.58 1o9bB1 GLN 72 HG3 0.01 0.05 0.06 -0.04 2.39 2.47 1o9bB1 GLN 72 HE21 0.01 -0.05 -0.02 -0.04 6.97 6.87 1o9bB1 GLN 72 HE22 0.00 -0.13 -0.02 -0.04 7.69 7.51 1o9bB1 LEU 73 H -0.10 0.04 -0.16 -0.55 8.37 7.59 1o9bB1 LEU 73 HA 0.00 0.08 0.35 -0.75 4.35 4.02 1o9bB1 LEU 73 HB2 -0.11 -0.04 0.11 -0.04 1.64 1.56 1o9bB1 LEU 73 HB3 -0.42 0.08 0.04 -0.04 1.64 1.30 1o9bB1 LEU 73 HG 0.16 0.03 -0.15 -0.04 1.64 1.64 1o9bB1 LEU 73 HD13 0.13 0.00 0.03 -0.04 0.93 1.05 1o9bB1 LEU 73 HD23 -0.02 -0.01 0.03 -0.04 0.89 0.86 1o9bB1 ALA 74 H -0.22 0.47 -0.36 -0.55 8.40 7.74 1o9bB1 ALA 74 HA 0.25 0.03 0.23 -0.75 4.34 4.10 1o9bB1 ALA 74 HB3 0.05 0.04 -0.03 -0.04 1.41 1.43 1o9bB1 CYS 75 H 0.04 0.40 -0.36 -0.55 8.50 8.03 1o9bB1 CYS 75 HA 0.05 -0.03 0.27 -0.75 4.58 4.12 1o9bB1 CYS 75 HB2 0.01 0.12 -0.12 -0.04 2.97 2.95 1o9bB1 CYS 75 HB3 0.01 -0.04 -0.04 -0.04 2.97 2.86 1o9bB1 GLU 76 H 0.08 0.55 -0.46 -0.55 8.60 8.23 1o9bB1 GLU 76 HA -0.07 0.14 0.68 -0.75 4.29 4.28 1o9bB1 GLU 76 HB2 -0.08 0.11 0.07 -0.04 2.09 2.14 1o9bB1 GLU 76 HB3 -0.20 -0.06 0.14 -0.04 1.99 1.83 1o9bB1 GLU 76 HG2 -0.00 0.07 -0.01 -0.04 2.34 2.35 1o9bB1 GLU 76 HG3 -0.03 -0.08 0.01 -0.04 2.34 2.19 1o9bB1 TYR 77 H 0.21 0.48 -0.35 -0.55 8.29 8.08 1o9bB1 TYR 77 HA 0.04 0.24 0.99 -0.75 4.56 5.08 1o9bB1 TYR 77 HB2 0.27 0.02 -0.01 -0.04 3.06 3.30 1o9bB1 TYR 77 HB3 0.06 -0.04 0.10 -0.04 2.98 3.06 1o9bB1 TYR 77 HD2 0.15 0.06 -0.12 -0.04 7.15 7.20 1o9bB1 TYR 77 HE2 0.09 -0.04 -0.06 -0.04 6.85 6.80 1o9bB1 VAL 78 H 0.06 0.18 -0.17 -0.55 8.24 7.76 1o9bB1 VAL 78 HA 0.01 0.17 0.90 -0.75 4.13 4.46 1o9bB1 VAL 78 HB -0.02 0.07 -0.08 -0.04 2.12 2.05 1o9bB1 VAL 78 HG13 0.10 0.01 -0.25 -0.04 0.97 0.79 1o9bB1 VAL 78 HG23 -0.00 -0.01 -0.19 -0.04 0.95 0.70 1o9bB1 ASP 79 H -0.21 0.53 0.36 -0.55 8.40 8.53 1o9bB1 ASP 79 HA -0.19 0.14 0.68 -0.75 4.63 4.51 1o9bB1 ASP 79 HB2 -1.19 0.05 0.15 -0.04 2.71 1.68 1o9bB1 ASP 79 HB3 -0.94 -0.02 0.08 -0.04 2.70 1.78 1o9bB1 GLU 80 H -0.14 0.36 0.24 -0.55 8.60 8.51 1o9bB1 GLU 80 HA -0.03 0.14 0.71 -0.75 4.29 4.36 1o9bB1 GLU 80 HB2 0.12 -0.00 -0.28 -0.04 2.09 1.88 1o9bB1 GLU 80 HB3 0.05 -0.06 -0.01 -0.04 1.99 1.92 1o9bB1 GLU 80 HG2 0.02 -0.01 0.17 -0.04 2.34 2.48 1o9bB1 GLU 80 HG3 0.12 0.00 0.01 -0.04 2.34 2.44 1o9bB1 LEU 81 H -0.04 0.24 0.16 -0.55 8.37 8.18 1o9bB1 LEU 81 HA -0.12 0.15 0.96 -0.75 4.35 4.58 1o9bB1 LEU 81 HB2 -0.03 0.04 -0.04 -0.04 1.64 1.57 1o9bB1 LEU 81 HB3 -0.04 -0.06 -0.03 -0.04 1.64 1.47 1o9bB1 LEU 81 HG -0.03 0.06 -0.23 -0.04 1.64 1.40 1o9bB1 LEU 81 HD13 -0.01 0.02 -0.14 -0.04 0.93 0.76 1o9bB1 LEU 81 HD23 -0.01 -0.03 -0.07 -0.04 0.89 0.74 1o9bB1 THR 82 H -0.13 0.14 0.21 -0.55 8.28 7.95 1o9bB1 THR 82 HA -0.07 0.26 0.67 -0.75 4.39 4.49 1o9bB1 THR 82 HB -0.02 0.02 0.13 -0.04 4.32 4.41 1o9bB1 THR 82 HG23 -0.25 0.10 0.08 -0.04 1.22 1.12 1o9bB1 PRO 83 HA -0.00 0.12 0.34 -0.51 4.44 4.39 1o9bB1 PRO 83 HB2 0.01 0.01 0.06 -0.04 2.28 2.32 1o9bB1 PRO 83 HB3 0.00 0.12 0.11 -0.04 2.02 2.21 1o9bB1 PRO 83 HG2 0.00 0.08 0.11 -0.04 2.03 2.19 1o9bB1 PRO 83 HG3 -0.00 0.09 0.14 -0.04 2.03 2.22 1o9bB1 PRO 83 HD2 0.00 0.04 0.20 -0.04 3.68 3.88 1o9bB1 PRO 83 HD3 -0.02 0.19 0.29 -0.04 3.65 4.07 1o9bB1 ALA 84 H 0.01 0.06 -0.33 -0.55 8.40 7.60 1o9bB1 ALA 84 HA 0.03 0.16 0.39 -0.75 4.34 4.18 1o9bB1 ALA 84 HB3 0.04 -0.00 0.04 -0.04 1.41 1.44 1o9bB1 ALA 85 H 0.01 0.06 -0.05 -0.55 8.40 7.87 1o9bB1 ALA 85 HA 0.04 0.01 0.40 -0.75 4.34 4.03 1o9bB1 ALA 85 HB3 -0.00 0.01 0.01 -0.04 1.41 1.38 1o9bB1 LYS 86 H 0.01 0.43 -0.45 -0.55 8.42 7.85 1o9bB1 LYS 86 HA 0.01 0.02 0.37 -0.75 4.32 3.97 1o9bB1 LYS 86 HB2 0.00 0.23 0.04 -0.04 1.87 2.10 1o9bB1 LYS 86 HB3 0.00 0.00 -0.03 -0.04 1.79 1.73 1o9bB1 LYS 86 HG2 -0.01 -0.02 -0.07 -0.04 1.46 1.32 1o9bB1 LYS 86 HG3 -0.01 -0.00 -0.20 -0.04 1.46 1.21 1o9bB1 LYS 86 HD2 -0.01 -0.00 -0.09 -0.04 1.69 1.55 1o9bB1 LYS 86 HD3 -0.01 0.01 -0.04 -0.04 1.68 1.60 1o9bB1 LYS 86 HE2 -0.01 -0.00 -0.05 -0.04 2.99 2.88 1o9bB1 LYS 86 HE3 -0.01 -0.01 -0.13 -0.04 2.99 2.80 1o9bB1 LEU 87 H 0.04 0.38 -0.18 -0.55 8.37 8.06 1o9bB1 LEU 87 HA 0.03 0.10 0.49 -0.75 4.35 4.21 1o9bB1 LEU 87 HB2 0.08 0.01 0.14 -0.04 1.64 1.84 1o9bB1 LEU 87 HB3 0.04 -0.05 -0.05 -0.04 1.64 1.54 1o9bB1 LEU 87 HG 0.01 0.15 0.06 -0.04 1.64 1.82 1o9bB1 LEU 87 HD13 -0.01 -0.02 -0.03 -0.04 0.93 0.83 1o9bB1 LEU 87 HD23 -0.04 -0.00 -0.14 -0.04 0.89 0.67 1o9bB1 VAL 88 H 0.09 0.37 -0.01 -0.55 8.24 8.14 1o9bB1 VAL 88 HA 0.17 0.04 0.37 -0.75 4.13 3.95 1o9bB1 VAL 88 HB 0.05 -0.04 0.13 -0.04 2.12 2.22 1o9bB1 VAL 88 HG13 0.00 -0.04 -0.22 -0.04 0.97 0.67 1o9bB1 VAL 88 HG23 0.07 0.06 -0.05 -0.04 0.95 0.99 1o9bB1 GLY 89 H 0.05 0.75 -0.04 -0.55 8.43 8.65 1o9bB1 GLY 89 HA2 0.03 0.05 0.24 -0.51 4.01 3.82 1o9bB1 GLY 89 HA3 0.04 0.10 0.53 -0.51 4.01 4.18 1o9bB1 ALA 90 H 0.03 0.18 -0.03 -0.55 8.40 8.04 1o9bB1 ALA 90 HA 0.02 0.20 0.38 -0.75 4.34 4.19 1o9bB1 ALA 90 HB3 0.02 0.00 -0.28 -0.04 1.41 1.11 1o9bB1 ILE 91 H 0.04 0.56 0.21 -0.55 8.25 8.50 1o9bB1 ILE 91 HA 0.06 0.10 0.95 -0.75 4.18 4.54 1o9bB1 ILE 91 HB 0.11 0.05 0.14 -0.04 1.89 2.14 1o9bB1 ILE 91 HG12 0.06 0.01 -0.03 -0.04 1.49 1.50 1o9bB1 ILE 91 HG13 0.10 0.00 -0.17 -0.04 1.21 1.10 1o9bB1 ILE 91 HG23 0.04 -0.03 -0.29 -0.04 0.93 0.61 1o9bB1 ILE 91 HD13 0.12 0.05 -0.25 -0.04 0.88 0.76 1o9bB1 ASN 92 H 0.10 0.34 0.45 -0.55 8.53 8.88 1o9bB1 ASN 92 HA 0.12 0.33 1.03 -0.75 4.76 5.47 1o9bB1 ASN 92 HB2 0.11 0.12 0.29 -0.04 2.88 3.36 1o9bB1 ASN 92 HB3 0.07 -0.08 0.04 -0.04 2.79 2.79 1o9bB1 ASN 92 HD21 0.03 -0.07 -0.07 -0.04 7.03 6.88 1o9bB1 ASN 92 HD22 0.07 0.10 -0.01 -0.04 7.74 7.85 1o9bB1 THR 93 H 0.15 0.20 0.24 -0.55 8.28 8.32 1o9bB1 THR 93 HA 0.26 0.28 0.99 -0.75 4.39 5.16 1o9bB1 THR 93 HB 0.11 -0.15 0.10 -0.04 4.32 4.34 1o9bB1 THR 93 HG23 -0.32 0.05 -0.08 -0.04 1.22 0.83 1o9bB1 ILE 94 H 0.40 0.72 0.34 -0.55 8.25 9.16 1o9bB1 ILE 94 HA 0.25 0.30 1.04 -0.75 4.18 5.01 1o9bB1 ILE 94 HB 0.21 -0.01 0.04 -0.04 1.89 2.09 1o9bB1 ILE 94 HG12 0.19 0.04 -0.19 -0.04 1.49 1.48 1o9bB1 ILE 94 HG13 0.22 -0.09 -0.44 -0.04 1.21 0.87 1o9bB1 ILE 94 HG23 0.14 0.00 -0.20 -0.04 0.93 0.83 1o9bB1 ILE 94 HD13 0.21 0.00 -0.20 -0.04 0.88 0.86 1o9bB1 VAL 95 H 0.26 0.51 0.33 -0.55 8.24 8.80 1o9bB1 VAL 95 HA 0.37 0.27 1.03 -0.75 4.13 5.05 1o9bB1 VAL 95 HB 0.29 -0.11 0.13 -0.04 2.12 2.39 1o9bB1 VAL 95 HG13 0.19 0.05 -0.10 -0.04 0.97 1.07 1o9bB1 VAL 95 HG23 -0.02 -0.01 -0.24 -0.04 0.95 0.64 1o9bB1 ASN 96 H 0.18 0.73 0.23 -0.55 8.53 9.12 1o9bB1 ASN 96 HA 0.12 0.10 0.79 -0.75 4.76 5.03 1o9bB1 ASN 96 HB2 0.07 -0.05 -0.17 -0.04 2.88 2.70 1o9bB1 ASN 96 HB3 0.08 0.20 -0.05 -0.04 2.79 2.98 1o9bB1 ASN 96 HD21 0.04 -0.00 -0.02 -0.04 7.03 7.00 1o9bB1 ASN 96 HD22 0.03 0.15 -0.07 -0.04 7.74 7.81 1o9bB1 ASP 97 H 0.16 0.73 0.19 -0.55 8.40 8.93 1o9bB1 ASP 97 HA 0.10 0.25 0.93 -0.75 4.63 5.16 1o9bB1 ASP 97 HB2 0.17 0.02 0.21 -0.04 2.71 3.07 1o9bB1 ASP 97 HB3 0.08 -0.02 0.14 -0.04 2.70 2.86 1o9bB1 ASP 98 H 0.08 0.32 -0.15 -0.55 8.40 8.10 1o9bB1 ASP 98 HA 0.06 0.09 0.29 -0.75 4.63 4.31 1o9bB1 ASP 98 HB2 0.05 0.00 -0.46 -0.04 2.71 2.26 1o9bB1 ASP 98 HB3 0.05 0.00 0.32 -0.04 2.70 3.03 1o9bB1 GLY 99 H 0.08 0.09 -0.21 -0.55 8.43 7.84 1o9bB1 GLY 99 HA2 0.05 0.02 0.28 -0.51 4.01 3.85 1o9bB1 GLY 99 HA3 0.07 0.22 0.80 -0.51 4.01 4.59 1o9bB1 TYR 100 H 0.20 0.28 -0.56 -0.55 8.29 7.66 1o9bB1 TYR 100 HA 0.04 0.10 0.70 -0.75 4.56 4.63 1o9bB1 TYR 100 HB2 0.03 0.05 -0.01 -0.04 3.06 3.09 1o9bB1 TYR 100 HB3 0.04 0.06 0.11 -0.04 2.98 3.15 1o9bB1 TYR 100 HD2 0.03 -0.01 -0.14 -0.04 7.15 7.00 1o9bB1 TYR 100 HE2 0.01 -0.02 -0.08 -0.04 6.85 6.72 1o9bB1 LEU 101 H -0.21 0.15 0.20 -0.55 8.37 7.96 1o9bB1 LEU 101 HA 0.09 0.42 1.09 -0.75 4.35 5.19 1o9bB1 LEU 101 HB2 -0.01 -0.12 0.16 -0.04 1.64 1.62 1o9bB1 LEU 101 HB3 0.06 0.03 -0.04 -0.04 1.64 1.65 1o9bB1 LEU 101 HG -0.01 0.05 -0.09 -0.04 1.64 1.56 1o9bB1 LEU 101 HD13 0.03 0.06 -0.03 -0.04 0.93 0.95 1o9bB1 LEU 101 HD23 0.06 -0.00 -0.36 -0.04 0.89 0.54 1o9bB1 ARG 102 H 0.14 0.64 0.41 -0.55 8.46 9.11 1o9bB1 ARG 102 HA -0.02 0.22 1.05 -0.75 4.34 4.84 1o9bB1 ARG 102 HB2 0.26 0.02 0.15 -0.04 1.90 2.29 1o9bB1 ARG 102 HB3 -0.06 0.00 -0.04 -0.04 1.80 1.65 1o9bB1 ARG 102 HG2 0.16 -0.01 -0.10 -0.04 1.67 1.67 1o9bB1 ARG 102 HG3 0.25 0.01 -0.22 -0.04 1.67 1.68 1o9bB1 ARG 102 HD2 0.16 -0.03 -0.07 -0.04 3.22 3.23 1o9bB1 ARG 102 HD3 0.17 -0.00 -0.07 -0.04 3.22 3.28 1o9bB1 GLY 103 H -0.13 0.64 0.43 -0.55 8.43 8.82 1o9bB1 GLY 103 HA2 0.14 0.41 1.19 -0.51 4.01 5.24 1o9bB1 GLY 103 HA3 0.01 -0.03 0.37 -0.51 4.01 3.85 1o9bB1 TYR 104 H 0.26 0.60 0.41 -0.55 8.29 9.00 1o9bB1 TYR 104 HA 0.01 0.08 0.87 -0.75 4.56 4.77 1o9bB1 TYR 104 HB2 -0.05 -0.01 -0.07 -0.04 3.06 2.89 1o9bB1 TYR 104 HB3 -0.02 -0.06 0.01 -0.04 2.98 2.86 1o9bB1 TYR 104 HD2 -0.01 -0.01 -0.18 -0.04 7.15 6.92 1o9bB1 TYR 104 HE2 0.01 0.05 -0.15 -0.04 6.85 6.72 1o9bB1 ASN 105 H 0.12 0.23 0.10 -0.55 8.53 8.43 1o9bB1 ASN 105 HA 0.08 0.06 1.08 -0.75 4.76 5.22 1o9bB1 ASN 105 HB2 0.06 0.19 0.15 -0.04 2.88 3.24 1o9bB1 ASN 105 HB3 0.06 -0.03 0.27 -0.04 2.79 3.05 1o9bB1 ASN 105 HD21 0.02 -0.02 -0.05 -0.04 7.03 6.94 1o9bB1 ASN 105 HD22 0.04 0.72 0.15 -0.04 7.74 8.61 1o9bB1 THR 106 H 0.04 0.29 -0.05 -0.55 8.28 8.01 1o9bB1 THR 106 HA 0.03 0.07 0.48 -0.75 4.39 4.21 1o9bB1 THR 106 HB -0.03 0.07 0.16 -0.04 4.32 4.48 1o9bB1 THR 106 HG23 -0.12 0.01 -0.13 -0.04 1.22 0.94 1o9bB1 ASP 107 H 0.04 0.05 -0.42 -0.55 8.40 7.53 1o9bB1 ASP 107 HA 0.06 0.17 0.44 -0.75 4.63 4.54 1o9bB1 ASP 107 HB2 0.03 -0.04 0.04 -0.04 2.71 2.70 1o9bB1 ASP 107 HB3 0.02 0.05 -0.06 -0.04 2.70 2.67 1o9bB1 GLY 108 H 0.04 0.17 -0.16 -0.55 8.43 7.93 1o9bB1 GLY 108 HA2 0.04 0.07 0.13 -0.51 4.01 3.74 1o9bB1 GLY 108 HA3 0.04 0.19 0.15 -0.51 4.01 3.89 1o9bB1 THR 109 H 0.04 0.17 -0.12 -0.55 8.28 7.83 1o9bB1 THR 109 HA 0.02 0.11 0.39 -0.75 4.39 4.16 1o9bB1 THR 109 HB 0.01 0.07 -0.02 -0.04 4.32 4.34 1o9bB1 THR 109 HG23 0.04 0.01 0.01 -0.04 1.22 1.24 1o9bB1 GLY 110 H 0.06 0.30 -0.51 -0.55 8.43 7.73 1o9bB1 GLY 110 HA2 0.11 0.05 0.19 -0.51 4.01 3.86 1o9bB1 GLY 110 HA3 0.12 0.09 0.11 -0.51 4.01 3.82 1o9bB1 HIS 111 H 0.15 0.44 -0.22 -0.55 8.41 8.24 1o9bB1 HIS 111 HA 0.03 0.10 0.31 -0.75 4.63 4.32 1o9bB1 HIS 111 HB2 0.02 0.08 0.05 -0.04 3.26 3.38 1o9bB1 HIS 111 HB3 0.00 -0.01 0.03 -0.04 3.20 3.18 1o9bB1 HIS 111 HD2 -0.02 -0.00 -0.25 -0.04 6.97 6.66 1o9bB1 HIS 111 HE1 -0.01 0.07 -0.33 -0.04 7.75 7.43 1o9bB1 ILE 112 H 0.08 0.45 -0.18 -0.55 8.25 8.05 1o9bB1 ILE 112 HA -0.01 0.03 0.32 -0.75 4.18 3.77 1o9bB1 ILE 112 HB -0.01 0.05 0.06 -0.04 1.89 1.94 1o9bB1 ILE 112 HG12 0.07 0.30 0.12 -0.04 1.49 1.94 1o9bB1 ILE 112 HG13 0.04 -0.08 -0.20 -0.04 1.21 0.93 1o9bB1 ILE 112 HG23 -0.01 -0.00 -0.12 -0.04 0.93 0.76 1o9bB1 ILE 112 HD13 0.07 0.01 -0.07 -0.04 0.88 0.85 1o9bB1 ARG 113 H -0.11 0.52 -0.29 -0.55 8.46 8.03 1o9bB1 ARG 113 HA -0.29 0.00 0.39 -0.75 4.34 3.69 1o9bB1 ARG 113 HB2 -0.27 0.04 0.10 -0.04 1.90 1.73 1o9bB1 ARG 113 HB3 -0.34 0.13 0.14 -0.04 1.80 1.69 1o9bB1 ARG 113 HG2 -1.02 -0.03 -0.04 -0.04 1.67 0.53 1o9bB1 ARG 113 HG3 -2.01 0.01 -0.27 -0.04 1.67 -0.64 1o9bB1 ARG 113 HD2 -0.54 -0.05 0.07 -0.04 3.22 2.66 1o9bB1 ARG 113 HD3 -0.41 -0.01 -0.00 -0.04 3.22 2.76 1o9bB1 ALA 114 H -0.24 0.50 -0.24 -0.55 8.40 7.88 1o9bB1 ALA 114 HA -0.25 0.01 0.40 -0.75 4.34 3.75 1o9bB1 ALA 114 HB3 0.01 0.07 0.10 -0.04 1.41 1.55 1o9bB1 ILE 115 H -0.18 0.35 -0.42 -0.55 8.25 7.45 1o9bB1 ILE 115 HA -0.11 0.06 0.49 -0.75 4.18 3.87 1o9bB1 ILE 115 HB -0.08 0.17 0.14 -0.04 1.89 2.07 1o9bB1 ILE 115 HG12 -0.22 -0.03 -0.08 -0.04 1.49 1.12 1o9bB1 ILE 115 HG13 -0.32 0.20 -0.04 -0.04 1.21 1.00 1o9bB1 ILE 115 HG23 -0.06 -0.01 -0.21 -0.04 0.93 0.61 1o9bB1 ILE 115 HD13 -0.06 -0.04 -0.15 -0.04 0.88 0.60 1o9bB1 LYS 116 H -0.12 0.54 0.01 -0.55 8.42 8.30 1o9bB1 LYS 116 HA 0.01 0.26 0.58 -0.75 4.32 4.41 1o9bB1 LYS 116 HB2 -0.16 0.06 0.17 -0.04 1.87 1.90 1o9bB1 LYS 116 HB3 -0.08 -0.05 0.07 -0.04 1.79 1.69 1o9bB1 LYS 116 HG2 -0.01 0.03 0.10 -0.04 1.46 1.55 1o9bB1 LYS 116 HG3 -0.05 0.18 0.06 -0.04 1.46 1.61 1o9bB1 LYS 116 HD2 -0.08 -0.03 -0.06 -0.04 1.69 1.47 1o9bB1 LYS 116 HD3 -0.05 -0.02 0.01 -0.04 1.68 1.59 1o9bB1 LYS 116 HE2 -0.00 -0.08 0.03 -0.04 2.99 2.90 1o9bB1 LYS 116 HE3 -0.02 -0.02 -0.05 -0.04 2.99 2.87 1o9bB1 GLU 117 H -0.18 0.48 -0.25 -0.55 8.60 8.10 1o9bB1 GLU 117 HA -0.07 0.02 0.40 -0.75 4.29 3.88 1o9bB1 GLU 117 HB2 -0.35 0.18 0.10 -0.04 2.09 1.98 1o9bB1 GLU 117 HB3 0.02 0.07 -0.00 -0.04 1.99 2.04 1o9bB1 GLU 117 HG2 0.42 -0.05 -0.01 -0.04 2.34 2.67 1o9bB1 GLU 117 HG3 0.15 -0.01 0.06 -0.04 2.34 2.51 1o9bB1 SER 118 H 0.00 0.27 -0.60 -0.55 8.46 7.58 1o9bB1 SER 118 HA 0.05 0.11 0.62 -0.75 4.49 4.51 1o9bB1 SER 118 HB2 0.05 -0.05 0.08 -0.04 3.95 4.00 1o9bB1 SER 118 HB3 0.02 0.06 0.09 -0.04 3.93 4.06 1o9bB1 GLY 119 H 0.04 0.29 -0.22 -0.55 8.43 8.00 1o9bB1 GLY 119 HA2 0.01 0.01 0.24 -0.51 4.01 3.76 1o9bB1 GLY 119 HA3 0.03 0.17 0.89 -0.51 4.01 4.60 1o9bB1 PHE 120 H 0.17 0.19 0.08 -0.55 8.34 8.22 1o9bB1 PHE 120 HA -0.01 0.12 0.64 -0.75 4.62 4.61 1o9bB1 PHE 120 HB2 -0.02 0.05 0.01 -0.04 3.15 3.15 1o9bB1 PHE 120 HB3 -0.03 -0.06 -0.17 -0.04 3.06 2.76 1o9bB1 PHE 120 HD2 -0.01 -0.04 -0.25 -0.04 7.28 6.94 1o9bB1 PHE 120 HE2 0.00 0.02 -0.10 -0.04 7.38 7.26 1o9bB1 PHE 120 HZ 0.01 0.04 -0.01 -0.04 7.32 7.32 1o9bB1 ASP 121 H -0.44 0.23 0.07 -0.55 8.40 7.71 1o9bB1 ASP 121 HA 0.01 0.14 0.89 -0.75 4.63 4.92 1o9bB1 ASP 121 HB2 -0.10 0.05 -0.02 -0.04 2.71 2.61 1o9bB1 ASP 121 HB3 -0.11 0.04 0.19 -0.04 2.70 2.77 1o9bB1 ILE 122 H 0.10 0.20 -0.01 -0.55 8.25 7.99 1o9bB1 ILE 122 HA 0.19 0.05 0.27 -0.75 4.18 3.93 1o9bB1 ILE 122 HB 0.08 -0.05 -0.03 -0.04 1.89 1.85 1o9bB1 ILE 122 HG12 0.04 -0.08 0.04 -0.04 1.49 1.44 1o9bB1 ILE 122 HG13 0.04 0.15 -0.33 -0.04 1.21 1.03 1o9bB1 ILE 122 HG23 0.10 0.00 -0.08 -0.04 0.93 0.92 1o9bB1 ILE 122 HD13 0.03 -0.01 -0.04 -0.04 0.88 0.82 1o9bB1 LYS 123 H 0.02 -0.04 -0.41 -0.55 8.42 7.44 1o9bB1 LYS 123 HA 0.02 0.18 0.23 -0.75 4.32 4.00 1o9bB1 LYS 123 HB2 0.00 -0.01 0.07 -0.04 1.87 1.89 1o9bB1 LYS 123 HB3 -0.01 -0.03 0.01 -0.04 1.79 1.73 1o9bB1 LYS 123 HG2 -0.00 -0.02 -0.12 -0.04 1.46 1.27 1o9bB1 LYS 123 HG3 0.00 0.05 0.14 -0.04 1.46 1.61 1o9bB1 LYS 123 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 1o9bB1 LYS 123 HD3 -0.00 -0.03 -0.02 -0.04 1.68 1.58 1o9bB1 LYS 123 HE2 0.00 0.00 -0.04 -0.04 2.99 2.91 1o9bB1 LYS 123 HE3 0.00 0.06 -0.06 -0.04 2.99 2.96 1o9bB1 GLY 124 H 0.01 0.86 0.38 -0.55 8.43 9.15 1o9bB1 GLY 124 HA2 0.01 -0.01 0.39 -0.51 4.01 3.89 1o9bB1 GLY 124 HA3 0.00 -0.03 0.42 -0.51 4.01 3.89 1o9bB1 LYS 125 H 0.04 0.38 -0.11 -0.55 8.42 8.17 1o9bB1 LYS 125 HA 0.04 0.25 0.99 -0.75 4.32 4.85 1o9bB1 LYS 125 HB2 0.09 0.29 0.14 -0.04 1.87 2.36 1o9bB1 LYS 125 HB3 0.11 -0.16 0.18 -0.04 1.79 1.88 1o9bB1 LYS 125 HG2 0.06 -0.05 0.03 -0.04 1.46 1.45 1o9bB1 LYS 125 HG3 0.04 0.29 -0.18 -0.04 1.46 1.57 1o9bB1 LYS 125 HD2 0.25 -0.01 -0.11 -0.04 1.69 1.77 1o9bB1 LYS 125 HD3 0.35 -0.10 -0.02 -0.04 1.68 1.87 1o9bB1 LYS 125 HE2 -0.45 -0.09 -0.04 -0.04 2.99 2.37 1o9bB1 LYS 125 HE3 0.02 -0.05 0.01 -0.04 2.99 2.94 1o9bB1 THR 126 H 0.07 0.21 0.21 -0.55 8.28 8.23 1o9bB1 THR 126 HA 0.05 0.29 0.88 -0.75 4.39 4.85 1o9bB1 THR 126 HB 0.04 0.01 0.16 -0.04 4.32 4.50 1o9bB1 THR 126 HG23 0.04 -0.00 0.18 -0.04 1.22 1.40 1o9bB1 VAL 128 HA 0.05 -0.00 0.40 -0.75 4.13 3.83 1o9bB1 VAL 128 HB -0.09 0.15 0.20 -0.04 2.12 2.34 1o9bB1 VAL 128 HG13 -0.17 -0.06 -0.05 -0.04 0.97 0.65 1o9bB1 VAL 128 HG23 -0.09 -0.01 -0.17 -0.04 0.95 0.64 1o9bB1 LEU 129 H 0.10 0.30 0.14 -0.55 8.37 8.37 1o9bB1 LEU 129 HA 0.02 0.27 1.04 -0.75 4.35 4.94 1o9bB1 LEU 129 HB2 0.05 0.03 -0.03 -0.04 1.64 1.65 1o9bB1 LEU 129 HB3 0.08 -0.05 0.08 -0.04 1.64 1.71 1o9bB1 LEU 129 HG -0.01 0.00 -0.36 -0.04 1.64 1.24 1o9bB1 LEU 129 HD13 -0.05 0.02 -0.07 -0.04 0.93 0.79 1o9bB1 LEU 129 HD23 0.01 0.00 -0.13 -0.04 0.89 0.74 1o9bB1 LEU 130 H 0.02 0.77 0.45 -0.55 8.37 9.07 1o9bB1 LEU 130 HA 0.13 0.14 0.93 -0.75 4.35 4.80 1o9bB1 LEU 130 HB2 -0.00 -0.20 0.25 -0.04 1.64 1.65 1o9bB1 LEU 130 HB3 0.03 -0.09 0.07 -0.04 1.64 1.61 1o9bB1 LEU 130 HG 0.05 0.23 0.01 -0.04 1.64 1.88 1o9bB1 LEU 130 HD13 0.04 -0.03 -0.04 -0.04 0.93 0.86 1o9bB1 LEU 130 HD23 0.18 0.01 -0.14 -0.04 0.89 0.89 1o9bB1 GLY 131 H 0.05 1.01 0.46 -0.55 8.43 9.40 1o9bB1 GLY 131 HA2 -0.08 -0.12 0.38 -0.51 4.01 3.68 1o9bB1 GLY 131 HA3 -0.11 0.10 0.75 -0.51 4.01 4.24 1o9bB1 ALA 132 H -0.25 -0.02 0.13 -0.55 8.40 7.71 1o9bB1 ALA 132 HA -0.17 0.17 0.41 -0.75 4.34 4.00 1o9bB1 ALA 132 HB3 0.00 0.04 -0.08 -0.04 1.41 1.33 1o9bB1 GLY 133 H -0.30 0.02 0.10 -0.55 8.43 7.70 1o9bB1 GLY 133 HA2 -0.08 0.21 0.54 -0.51 4.01 4.17 1o9bB1 GLY 133 HA3 -0.40 -0.01 0.44 -0.51 4.01 3.52 1o9bB1 GLY 134 H -0.06 0.13 0.14 -0.55 8.43 8.10 1o9bB1 GLY 134 HA2 -0.02 0.23 0.43 -0.51 4.01 4.13 1o9bB1 GLY 134 HA3 -0.01 0.06 0.30 -0.51 4.01 3.85 1o9bB1 ALA 135 H -0.09 0.08 -0.00 -0.55 8.40 7.84 1o9bB1 ALA 135 HA -0.06 0.12 0.45 -0.75 4.34 4.10 1o9bB1 ALA 135 HB3 -0.09 0.05 0.04 -0.04 1.41 1.38 1o9bB1 SER 136 H -0.15 0.05 -0.15 -0.55 8.46 7.66 1o9bB1 SER 136 HA -0.15 0.11 0.25 -0.75 4.49 3.95 1o9bB1 SER 136 HB2 -0.18 -0.20 -0.26 -0.04 3.95 3.26 1o9bB1 SER 136 HB3 -0.14 0.22 -0.35 -0.04 3.93 3.62 1o9bB1 THR 137 H -0.25 0.27 -0.46 -0.55 8.28 7.29 1o9bB1 THR 137 HA -0.95 0.07 0.28 -0.75 4.39 3.04 1o9bB1 THR 137 HB -0.39 0.05 -0.04 -0.04 4.32 3.90 1o9bB1 THR 137 HG23 -0.73 -0.01 -0.05 -0.04 1.22 0.39 1o9bB1 ALA 138 H -0.12 0.23 -0.55 -0.55 8.40 7.42 1o9bB1 ALA 138 HA 0.01 0.03 0.41 -0.75 4.34 4.03 1o9bB1 ALA 138 HB3 -0.02 0.01 0.07 -0.04 1.41 1.43 1o9bB1 ILE 139 H -0.08 0.58 -0.12 -0.55 8.25 8.07 1o9bB1 ILE 139 HA 0.02 0.01 0.38 -0.75 4.18 3.83 1o9bB1 ILE 139 HB -0.12 0.07 0.05 -0.04 1.89 1.85 1o9bB1 ILE 139 HG12 -0.21 -0.02 -0.07 -0.04 1.49 1.15 1o9bB1 ILE 139 HG13 -0.19 0.05 -0.07 -0.04 1.21 0.96 1o9bB1 ILE 139 HG23 0.02 0.00 -0.25 -0.04 0.93 0.66 1o9bB1 ILE 139 HD13 -0.78 -0.01 -0.20 -0.04 0.88 -0.15 1o9bB1 GLY 140 H -0.02 0.65 -0.15 -0.55 8.43 8.37 1o9bB1 GLY 140 HA2 0.11 0.02 0.25 -0.51 4.01 3.88 1o9bB1 GLY 140 HA3 0.23 0.08 0.19 -0.51 4.01 4.00 1o9bB1 ALA 141 H 0.20 0.54 -0.28 -0.55 8.40 8.31 1o9bB1 ALA 141 HA 0.14 0.08 0.43 -0.75 4.34 4.24 1o9bB1 ALA 141 HB3 0.21 0.01 0.04 -0.04 1.41 1.62 1o9bB1 GLN 142 H 0.08 0.50 -0.10 -0.55 8.47 8.40 1o9bB1 GLN 142 HA 0.05 -0.02 0.35 -0.75 4.36 3.98 1o9bB1 GLN 142 HB2 0.05 -0.07 0.04 -0.04 2.15 2.13 1o9bB1 GLN 142 HB3 0.05 0.14 0.01 -0.04 2.02 2.19 1o9bB1 GLN 142 HG2 0.03 -0.06 -0.64 -0.04 2.40 1.69 1o9bB1 GLN 142 HG3 0.03 0.06 -0.20 -0.04 2.39 2.23 1o9bB1 GLN 142 HE21 0.03 -0.02 -0.03 -0.04 6.97 6.92 1o9bB1 GLN 142 HE22 0.02 0.07 -0.05 -0.04 7.69 7.69 1o9bB1 GLY 143 H 0.07 0.77 -0.18 -0.55 8.43 8.53 1o9bB1 GLY 143 HA2 0.04 0.01 0.26 -0.51 4.01 3.82 1o9bB1 GLY 143 HA3 0.06 0.07 0.18 -0.51 4.01 3.81 1o9bB1 ALA 144 H 0.06 0.47 -0.34 -0.55 8.40 8.04 1o9bB1 ALA 144 HA 0.02 0.02 0.36 -0.75 4.34 3.99 1o9bB1 ALA 144 HB3 0.01 0.01 0.05 -0.04 1.41 1.45 1o9bB1 ILE 145 H 0.03 0.56 -0.10 -0.55 8.25 8.19 1o9bB1 ILE 145 HA 0.01 0.03 0.45 -0.75 4.18 3.91 1o9bB1 ILE 145 HB 0.03 0.07 0.15 -0.04 1.89 2.09 1o9bB1 ILE 145 HG12 0.01 0.04 0.03 -0.04 1.49 1.53 1o9bB1 ILE 145 HG13 0.02 0.14 0.05 -0.04 1.21 1.38 1o9bB1 ILE 145 HG23 0.01 -0.03 -0.10 -0.04 0.93 0.78 1o9bB1 ILE 145 HD13 0.02 -0.04 -0.12 -0.04 0.88 0.70 1o9bB1 GLU 146 H 0.02 0.43 -0.47 -0.55 8.60 8.04 1o9bB1 GLU 146 HA 0.01 0.13 0.71 -0.75 4.29 4.38 1o9bB1 GLU 146 HB2 0.02 0.09 0.08 -0.04 2.09 2.24 1o9bB1 GLU 146 HB3 0.01 -0.08 0.17 -0.04 1.99 2.06 1o9bB1 GLU 146 HG2 0.01 -0.01 -0.04 -0.04 2.34 2.26 1o9bB1 GLU 146 HG3 0.01 -0.01 -0.07 -0.04 2.34 2.24 1o9bB1 GLY 147 H 0.01 0.40 -0.56 -0.55 8.43 7.73 1o9bB1 GLY 147 HA2 0.01 0.03 0.25 -0.51 4.01 3.79 1o9bB1 GLY 147 HA3 0.01 -0.01 0.42 -0.51 4.01 3.92 1o9bB1 LEU 148 H 0.03 0.36 -0.05 -0.55 8.37 8.16 1o9bB1 LEU 148 HA 0.04 0.12 0.41 -0.75 4.35 4.16 1o9bB1 LEU 148 HB2 0.04 0.05 -0.53 -0.04 1.64 1.16 1o9bB1 LEU 148 HB3 0.04 -0.05 -0.32 -0.04 1.64 1.26 1o9bB1 LEU 148 HG 0.05 0.02 -0.16 -0.04 1.64 1.51 1o9bB1 LEU 148 HD13 0.06 -0.05 -0.23 -0.04 0.93 0.66 1o9bB1 LEU 148 HD23 0.06 0.04 -0.12 -0.04 0.89 0.82 1o9bB1 LYS 149 H 0.03 0.40 0.27 -0.55 8.42 8.57 1o9bB1 LYS 149 HA 0.01 0.14 0.78 -0.75 4.32 4.50 1o9bB1 LYS 149 HB2 0.02 -0.15 -0.05 -0.04 1.87 1.65 1o9bB1 LYS 149 HB3 0.02 0.11 -0.13 -0.04 1.79 1.74 1o9bB1 LYS 149 HG2 0.01 -0.05 -0.03 -0.04 1.46 1.35 1o9bB1 LYS 149 HG3 0.01 -0.02 0.06 -0.04 1.46 1.47 1o9bB1 LYS 149 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 1o9bB1 LYS 149 HD3 0.01 0.01 -0.08 -0.04 1.68 1.58 1o9bB1 LYS 149 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 1o9bB1 LYS 149 HE3 0.01 -0.00 0.01 -0.04 2.99 2.96 1o9bB1 GLU 150 H 0.03 0.71 0.40 -0.55 8.60 9.19 1o9bB1 GLU 150 HA 0.03 0.20 1.01 -0.75 4.29 4.78 1o9bB1 GLU 150 HB2 0.03 -0.00 -0.09 -0.04 2.09 1.99 1o9bB1 GLU 150 HB3 0.04 -0.10 0.03 -0.04 1.99 1.91 1o9bB1 GLU 150 HG2 0.04 0.03 0.02 -0.04 2.34 2.38 1o9bB1 GLU 150 HG3 0.02 0.07 0.08 -0.04 2.34 2.47 1o9bB1 ILE 151 H 0.04 0.70 0.21 -0.55 8.25 8.65 1o9bB1 ILE 151 HA 0.07 0.19 0.93 -0.75 4.18 4.61 1o9bB1 ILE 151 HB 0.06 -0.02 0.07 -0.04 1.89 1.96 1o9bB1 ILE 151 HG12 0.07 0.06 -0.11 -0.04 1.49 1.47 1o9bB1 ILE 151 HG13 0.05 -0.02 -0.44 -0.04 1.21 0.76 1o9bB1 ILE 151 HG23 0.12 -0.02 -0.17 -0.04 0.93 0.82 1o9bB1 ILE 151 HD13 0.09 -0.03 -0.09 -0.04 0.88 0.81 1o9bB1 LYS 152 H 0.10 0.31 0.11 -0.55 8.42 8.39 1o9bB1 LYS 152 HA 0.13 0.05 0.84 -0.75 4.32 4.59 1o9bB1 LYS 152 HB2 0.17 0.08 0.16 -0.04 1.87 2.23 1o9bB1 LYS 152 HB3 0.34 -0.04 -0.01 -0.04 1.79 2.03 1o9bB1 LYS 152 HG2 0.10 -0.02 -0.07 -0.04 1.46 1.43 1o9bB1 LYS 152 HG3 0.08 -0.01 -0.11 -0.04 1.46 1.38 1o9bB1 LYS 152 HD2 0.08 0.16 -0.02 -0.04 1.69 1.87 1o9bB1 LYS 152 HD3 0.14 -0.09 -0.03 -0.04 1.68 1.65 1o9bB1 LYS 152 HE2 0.06 -0.05 -0.05 -0.04 2.99 2.91 1o9bB1 LYS 152 HE3 0.05 0.02 -0.05 -0.04 2.99 2.97 1o9bB1 LEU 153 H 0.11 0.65 0.31 -0.55 8.37 8.89 1o9bB1 LEU 153 HA 0.22 0.25 0.92 -0.75 4.35 4.98 1o9bB1 LEU 153 HB2 0.13 -0.05 0.04 -0.04 1.64 1.71 1o9bB1 LEU 153 HB3 0.06 0.07 0.22 -0.04 1.64 1.95 1o9bB1 LEU 153 HG 0.03 -0.14 -0.17 -0.04 1.64 1.32 1o9bB1 LEU 153 HD13 0.06 0.22 0.09 -0.04 0.93 1.26 1o9bB1 LEU 153 HD23 0.13 -0.02 -0.04 -0.04 0.89 0.92 1o9bB1 PHE 154 H 0.35 0.74 0.43 -0.55 8.34 9.31 1o9bB1 PHE 154 HA 0.09 0.31 1.02 -0.75 4.62 5.28 1o9bB1 PHE 154 HB2 0.13 0.05 0.01 -0.04 3.15 3.29 1o9bB1 PHE 154 HB3 0.04 -0.15 -0.06 -0.04 3.06 2.84 1o9bB1 PHE 154 HD2 0.10 -0.03 -0.49 -0.04 7.28 6.81 1o9bB1 PHE 154 HE2 0.18 -0.03 -0.28 -0.04 7.38 7.21 1o9bB1 PHE 154 HZ 0.14 0.01 -0.45 -0.04 7.32 6.97 1o9bB1 ASN 155 H 0.15 0.35 0.18 -0.55 8.53 8.67 1o9bB1 ASN 155 HA 0.09 -0.06 0.53 -0.75 4.76 4.57 1o9bB1 ASN 155 HB2 0.06 0.27 -0.37 -0.04 2.88 2.79 1o9bB1 ASN 155 HB3 0.14 0.04 -0.13 -0.04 2.79 2.80 1o9bB1 ASN 155 HD21 0.23 -0.20 -0.16 -0.04 7.03 6.87 1o9bB1 ASN 155 HD22 0.28 0.04 -0.25 -0.04 7.74 7.77 1o9bB1 ARG 156 H 0.06 0.13 0.13 -0.55 8.46 8.23 1o9bB1 ARG 156 HA 0.02 -0.07 0.43 -0.75 4.34 3.97 1o9bB1 ARG 156 HB2 -0.00 0.07 0.05 -0.04 1.90 1.98 1o9bB1 ARG 156 HB3 0.01 0.04 0.12 -0.04 1.80 1.93 1o9bB1 ARG 156 HG2 0.05 -0.08 -0.03 -0.04 1.67 1.57 1o9bB1 ARG 156 HG3 0.05 -0.01 -0.57 -0.04 1.67 1.09 1o9bB1 ARG 156 HD2 0.01 0.08 -0.10 -0.04 3.22 3.17 1o9bB1 ARG 156 HD3 0.00 0.03 -0.03 -0.04 3.22 3.19 1o9bB1 ARG 157 H -0.08 0.12 0.14 -0.55 8.46 8.08 1o9bB1 ARG 157 HA -0.27 0.12 0.55 -0.75 4.34 3.98 1o9bB1 ARG 157 HB2 -0.16 -0.03 0.24 -0.04 1.90 1.91 1o9bB1 ARG 157 HB3 -0.19 0.07 0.18 -0.04 1.80 1.81 1o9bB1 ARG 157 HG2 -0.59 -0.06 0.07 -0.04 1.67 1.04 1o9bB1 ARG 157 HG3 -0.31 0.02 0.07 -0.04 1.67 1.41 1o9bB1 ARG 157 HD2 -0.39 0.03 0.01 -0.04 3.22 2.83 1o9bB1 ARG 157 HD3 -1.39 0.01 0.01 -0.04 3.22 1.81 1o9bB1 ASP 158 H 0.14 0.31 0.27 -0.55 8.40 8.57 1o9bB1 ASP 158 HA 0.03 0.29 0.76 -0.75 4.63 4.96 1o9bB1 ASP 158 HB2 0.09 -0.02 0.20 -0.04 2.71 2.94 1o9bB1 ASP 158 HB3 0.07 0.07 -0.16 -0.04 2.70 2.65 1o9bB1 GLU 159 H 0.05 0.20 0.16 -0.55 8.60 8.46 1o9bB1 GLU 159 HA -0.02 0.13 0.38 -0.75 4.29 4.03 1o9bB1 GLU 159 HB2 -0.14 0.08 0.13 -0.04 2.09 2.12 1o9bB1 GLU 159 HB3 -0.08 0.01 0.17 -0.04 1.99 2.05 1o9bB1 GLU 159 HG2 -0.52 -0.14 -0.04 -0.04 2.34 1.61 1o9bB1 GLU 159 HG3 -0.63 0.05 -0.22 -0.04 2.34 1.50 1o9bB1 PHE 160 H 0.26 0.01 -0.29 -0.55 8.34 7.76 1o9bB1 PHE 160 HA 0.02 0.21 0.54 -0.75 4.62 4.63 1o9bB1 PHE 160 HB2 0.03 -0.05 -0.02 -0.04 3.15 3.08 1o9bB1 PHE 160 HB3 -0.00 0.06 -0.10 -0.04 3.06 2.98 1o9bB1 PHE 160 HD2 -0.01 0.13 -0.06 -0.04 7.28 7.30 1o9bB1 PHE 160 HE2 -0.02 0.04 0.02 -0.04 7.38 7.37 1o9bB1 PHE 160 HZ -0.02 0.04 0.02 -0.04 7.32 7.32 1o9bB1 PHE 161 H 0.29 0.23 -0.25 -0.55 8.34 8.06 1o9bB1 PHE 161 HA 0.07 0.08 0.26 -0.75 4.62 4.26 1o9bB1 PHE 161 HB2 0.04 -0.07 0.19 -0.04 3.15 3.26 1o9bB1 PHE 161 HB3 0.02 0.04 0.07 -0.04 3.06 3.15 1o9bB1 PHE 161 HD2 0.01 0.10 -0.17 -0.04 7.28 7.18 1o9bB1 PHE 161 HE2 -0.03 0.03 -0.17 -0.04 7.38 7.17 1o9bB1 PHE 161 HZ -0.04 0.01 -0.17 -0.04 7.32 7.08 1o9bB1 ASP 162 H 0.18 0.22 -0.16 -0.55 8.40 8.09 1o9bB1 ASP 162 HA 0.06 0.07 0.43 -0.75 4.63 4.44 1o9bB1 ASP 162 HB2 0.04 0.06 0.10 -0.04 2.71 2.88 1o9bB1 ASP 162 HB3 0.03 0.05 -0.01 -0.04 2.70 2.73 1o9bB1 LYS 163 H 0.03 0.16 -0.28 -0.55 8.42 7.78 1o9bB1 LYS 163 HA 0.03 0.04 0.40 -0.75 4.32 4.03 1o9bB1 LYS 163 HB2 0.07 0.06 0.20 -0.04 1.87 2.16 1o9bB1 LYS 163 HB3 0.06 0.08 0.07 -0.04 1.79 1.96 1o9bB1 LYS 163 HG2 -0.01 0.01 0.05 -0.04 1.46 1.47 1o9bB1 LYS 163 HG3 -0.06 0.01 0.10 -0.04 1.46 1.47 1o9bB1 LYS 163 HD2 -0.22 -0.09 0.00 -0.04 1.69 1.35 1o9bB1 LYS 163 HD3 -0.01 0.07 0.02 -0.04 1.68 1.71 1o9bB1 LYS 163 HE2 -0.05 0.05 0.01 -0.04 2.99 2.95 1o9bB1 LYS 163 HE3 -0.12 -0.01 0.01 -0.04 2.99 2.83 1o9bB1 ALA 164 H -0.01 0.40 -0.29 -0.55 8.40 7.96 1o9bB1 ALA 164 HA 0.06 0.06 0.46 -0.75 4.34 4.16 1o9bB1 ALA 164 HB3 -0.15 0.01 0.00 -0.04 1.41 1.24 1o9bB1 LEU 165 H -0.12 0.42 -0.17 -0.55 8.37 7.95 1o9bB1 LEU 165 HA -0.10 0.05 0.54 -0.75 4.35 4.08 1o9bB1 LEU 165 HB2 -0.08 0.11 0.25 -0.04 1.64 1.89 1o9bB1 LEU 165 HB3 -0.04 -0.01 0.01 -0.04 1.64 1.55 1o9bB1 LEU 165 HG -0.39 0.00 -0.01 -0.04 1.64 1.21 1o9bB1 LEU 165 HD13 0.04 -0.02 -0.00 -0.04 0.93 0.90 1o9bB1 LEU 165 HD23 -0.09 0.00 0.05 -0.04 0.89 0.82 1o9bB1 ALA 166 H 0.01 0.50 0.00 -0.55 8.40 8.36 1o9bB1 ALA 166 HA -0.01 0.03 0.44 -0.75 4.34 4.05 1o9bB1 ALA 166 HB3 0.02 0.02 0.07 -0.04 1.41 1.48 1o9bB1 PHE 167 H 0.16 0.27 -0.49 -0.55 8.34 7.73 1o9bB1 PHE 167 HA -0.01 0.17 0.56 -0.75 4.62 4.58 1o9bB1 PHE 167 HB2 -0.00 0.07 0.12 -0.04 3.15 3.30 1o9bB1 PHE 167 HB3 -0.03 0.04 0.17 -0.04 3.06 3.21 1o9bB1 PHE 167 HD2 -0.01 0.15 -0.03 -0.04 7.28 7.35 1o9bB1 PHE 167 HE2 -0.00 -0.01 -0.15 -0.04 7.38 7.17 1o9bB1 PHE 167 HZ -0.00 -0.13 -0.26 -0.04 7.32 6.89 1o9bB1 ALA 168 H 0.03 0.44 -0.14 -0.55 8.40 8.19 1o9bB1 ALA 168 HA -0.30 -0.01 0.36 -0.75 4.34 3.64 1o9bB1 ALA 168 HB3 -0.04 0.07 0.05 -0.04 1.41 1.44 1o9bB1 GLN 169 H -0.08 0.44 -0.18 -0.55 8.47 8.11 1o9bB1 GLN 169 HA -0.07 0.03 0.39 -0.75 4.36 3.96 1o9bB1 GLN 169 HB2 -0.04 -0.05 0.07 -0.04 2.15 2.09 1o9bB1 GLN 169 HB3 -0.04 0.09 0.14 -0.04 2.02 2.17 1o9bB1 GLN 169 HG2 -0.03 0.07 -0.03 -0.04 2.40 2.37 1o9bB1 GLN 169 HG3 -0.05 0.05 -0.72 -0.04 2.39 1.63 1o9bB1 GLN 169 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.84 1o9bB1 GLN 169 HE22 -0.02 0.04 -0.07 -0.04 7.69 7.60 1o9bB1 ARG 170 H -0.12 0.37 -0.37 -0.55 8.46 7.79 1o9bB1 ARG 170 HA -0.07 0.00 0.42 -0.75 4.34 3.94 1o9bB1 ARG 170 HB2 -0.05 0.24 0.26 -0.04 1.90 2.30 1o9bB1 ARG 170 HB3 -0.14 0.08 0.14 -0.04 1.80 1.85 1o9bB1 ARG 170 HG2 -0.03 -0.03 0.01 -0.04 1.67 1.58 1o9bB1 ARG 170 HG3 -0.03 -0.09 0.06 -0.04 1.67 1.58 1o9bB1 ARG 170 HD2 0.01 0.02 0.03 -0.04 3.22 3.25 1o9bB1 ARG 170 HD3 0.01 -0.09 0.02 -0.04 3.22 3.12 1o9bB1 VAL 171 H -0.35 0.52 -0.16 -0.55 8.24 7.69 1o9bB1 VAL 171 HA -0.16 0.03 0.37 -0.75 4.13 3.61 1o9bB1 VAL 171 HB -0.36 0.05 0.08 -0.04 2.12 1.85 1o9bB1 VAL 171 HG13 -0.13 -0.01 -0.17 -0.04 0.97 0.62 1o9bB1 VAL 171 HG23 -0.83 0.07 -0.05 -0.04 0.95 0.10 1o9bB1 ASN 172 H -0.15 0.74 0.01 -0.55 8.53 8.58 1o9bB1 ASN 172 HA -0.06 0.13 0.38 -0.75 4.76 4.45 1o9bB1 ASN 172 HB2 -0.07 0.04 0.15 -0.04 2.88 2.95 1o9bB1 ASN 172 HB3 -0.05 -0.05 0.06 -0.04 2.79 2.71 1o9bB1 ASN 172 HD21 -0.05 0.32 0.15 -0.04 7.03 7.40 1o9bB1 ASN 172 HD22 -0.07 -0.08 -0.22 -0.04 7.74 7.33 1o9bB1 GLU 173 H -0.07 0.29 -0.60 -0.55 8.60 7.67 1o9bB1 GLU 173 HA -0.03 0.08 0.68 -0.75 4.29 4.27 1o9bB1 GLU 173 HB2 -0.05 0.28 0.16 -0.04 2.09 2.44 1o9bB1 GLU 173 HB3 -0.03 -0.05 -0.03 -0.04 1.99 1.84 1o9bB1 GLU 173 HG2 -0.02 -0.05 0.08 -0.04 2.34 2.30 1o9bB1 GLU 173 HG3 -0.03 -0.04 0.00 -0.04 2.34 2.23 1o9bB1 ASN 174 H -0.06 0.35 -0.12 -0.55 8.53 8.15 1o9bB1 ASN 174 HA -0.02 0.17 0.96 -0.75 4.76 5.11 1o9bB1 ASN 174 HB2 -0.04 0.03 0.09 -0.04 2.88 2.92 1o9bB1 ASN 174 HB3 -0.02 -0.09 0.19 -0.04 2.79 2.83 1o9bB1 ASN 174 HD21 -0.02 -0.05 -0.04 -0.04 7.03 6.88 1o9bB1 ASN 174 HD22 -0.02 -0.06 0.01 -0.04 7.74 7.64 1o9bB1 THR 175 H -0.04 0.30 -0.07 -0.55 8.28 7.93 1o9bB1 THR 175 HA -0.02 0.11 0.75 -0.75 4.39 4.47 1o9bB1 THR 175 HB -0.05 0.28 0.01 -0.04 4.32 4.52 1o9bB1 THR 175 HG23 -0.02 -0.30 0.09 -0.04 1.22 0.95 1o9bB1 ASP 176 H -0.01 0.12 0.18 -0.55 8.40 8.14 1o9bB1 ASP 176 HA -0.01 0.20 0.82 -0.75 4.63 4.88 1o9bB1 ASP 176 HB2 -0.00 0.00 0.06 -0.04 2.71 2.73 1o9bB1 ASP 176 HB3 -0.00 -0.02 0.15 -0.04 2.70 2.78 1o9bB1 CYS 177 H -0.02 -0.11 0.07 -0.55 8.50 7.89 1o9bB1 CYS 177 HA 0.00 0.30 0.56 -0.75 4.58 4.69 1o9bB1 CYS 177 HB2 0.00 0.04 0.07 -0.04 2.97 3.04 1o9bB1 CYS 177 HB3 -0.02 -0.08 -0.11 -0.04 2.97 2.71 1o9bB1 VAL 178 H 0.00 0.56 0.21 -0.55 8.24 8.46 1o9bB1 VAL 178 HA -0.02 0.16 0.89 -0.75 4.13 4.41 1o9bB1 VAL 178 HB 0.01 0.05 0.23 -0.04 2.12 2.37 1o9bB1 VAL 178 HG13 0.00 -0.04 -0.15 -0.04 0.97 0.75 1o9bB1 VAL 178 HG23 -0.00 0.03 -0.09 -0.04 0.95 0.85 1o9bB1 VAL 179 H -0.03 0.24 0.08 -0.55 8.24 7.98 1o9bB1 VAL 179 HA 0.02 0.32 1.08 -0.75 4.13 4.81 1o9bB1 VAL 179 HB -0.09 0.02 0.14 -0.04 2.12 2.15 1o9bB1 VAL 179 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.82 1o9bB1 VAL 179 HG23 -0.05 -0.00 -0.16 -0.04 0.95 0.70 1o9bB1 THR 180 H 0.04 0.52 0.44 -0.55 8.28 8.72 1o9bB1 THR 180 HA -0.02 0.19 0.98 -0.75 4.39 4.79 1o9bB1 THR 180 HB -0.01 -0.03 0.01 -0.04 4.32 4.26 1o9bB1 THR 180 HG23 0.01 0.02 -0.20 -0.04 1.22 1.02 1o9bB1 VAL 181 H -0.06 0.20 0.16 -0.55 8.24 7.99 1o9bB1 VAL 181 HA -0.11 0.41 1.06 -0.75 4.13 4.73 1o9bB1 VAL 181 HB -0.17 -0.04 0.11 -0.04 2.12 1.97 1o9bB1 VAL 181 HG13 -0.54 -0.02 -0.22 -0.04 0.97 0.15 1o9bB1 VAL 181 HG23 -0.11 0.00 -0.30 -0.04 0.95 0.50 1o9bB1 THR 182 H -0.31 0.69 0.30 -0.55 8.28 8.42 1o9bB1 THR 182 HA -0.10 0.14 0.89 -0.75 4.39 4.56 1o9bB1 THR 182 HB -1.40 0.08 -0.10 -0.04 4.32 2.86 1o9bB1 THR 182 HG23 -0.29 -0.01 -0.13 -0.04 1.22 0.75 1o9bB1 ASP 183 H -0.03 0.15 0.16 -0.55 8.40 8.13 1o9bB1 ASP 183 HA 0.13 0.23 0.58 -0.75 4.63 4.82 1o9bB1 ASP 183 HB2 -0.07 0.13 0.12 -0.04 2.71 2.85 1o9bB1 ASP 183 HB3 -0.03 -0.03 0.17 -0.04 2.70 2.77 1o9bB1 LEU 184 H 0.07 0.20 -0.06 -0.55 8.37 8.02 1o9bB1 LEU 184 HA 0.19 0.18 0.23 -0.75 4.35 4.19 1o9bB1 LEU 184 HB2 0.06 -0.12 -0.07 -0.04 1.64 1.47 1o9bB1 LEU 184 HB3 -0.01 -0.04 -0.02 -0.04 1.64 1.54 1o9bB1 LEU 184 HG -0.16 0.08 0.04 -0.04 1.64 1.56 1o9bB1 LEU 184 HD13 -0.22 0.03 -0.03 -0.04 0.93 0.67 1o9bB1 LEU 184 HD23 -0.05 -0.02 0.00 -0.04 0.89 0.78 1o9bB1 ALA 185 H 0.00 -0.06 -0.78 -0.55 8.40 7.02 1o9bB1 ALA 185 HA -0.01 0.21 0.60 -0.75 4.34 4.38 1o9bB1 ALA 185 HB3 -0.02 0.01 0.03 -0.04 1.41 1.38 1o9bB1 ASP 186 H 0.06 0.52 -0.15 -0.55 8.40 8.27 1o9bB1 ASP 186 HA 0.06 0.10 0.55 -0.75 4.63 4.58 1o9bB1 ASP 186 HB2 0.04 0.02 0.21 -0.04 2.71 2.94 1o9bB1 ASP 186 HB3 0.15 -0.02 0.24 -0.04 2.70 3.03 1o9bB1 GLN 187 H 0.06 0.81 -0.06 -0.55 8.47 8.73 1o9bB1 GLN 187 HA 0.12 0.09 0.26 -0.75 4.36 4.08 1o9bB1 GLN 187 HB2 0.04 0.11 0.15 -0.04 2.15 2.41 1o9bB1 GLN 187 HB3 0.06 -0.01 -0.06 -0.04 2.02 1.98 1o9bB1 GLN 187 HG2 0.09 -0.01 0.05 -0.04 2.40 2.49 1o9bB1 GLN 187 HG3 0.04 0.03 0.06 -0.04 2.39 2.48 1o9bB1 GLN 187 HE21 0.02 0.01 0.01 -0.04 6.97 6.97 1o9bB1 GLN 187 HE22 0.03 -0.02 0.02 -0.04 7.69 7.67 1o9bB1 GLN 188 H 0.10 -0.04 -0.68 -0.55 8.47 7.30 1o9bB1 GLN 188 HA 0.09 0.13 0.47 -0.75 4.36 4.30 1o9bB1 GLN 188 HB2 0.07 -0.09 0.08 -0.04 2.15 2.17 1o9bB1 GLN 188 HB3 0.07 0.07 -0.05 -0.04 2.02 2.06 1o9bB1 GLN 188 HG2 0.05 -0.03 -0.02 -0.04 2.40 2.36 1o9bB1 GLN 188 HG3 0.04 0.03 0.00 -0.04 2.39 2.42 1o9bB1 GLN 188 HE21 0.03 0.04 -0.03 -0.04 6.97 6.98 1o9bB1 GLN 188 HE22 0.04 -0.00 -0.03 -0.04 7.69 7.65 1o9bB1 ALA 189 H 0.15 0.06 0.03 -0.55 8.40 8.09 1o9bB1 ALA 189 HA 0.15 0.04 0.36 -0.75 4.34 4.14 1o9bB1 ALA 189 HB3 0.21 0.02 0.07 -0.04 1.41 1.68 1o9bB1 PHE 190 H 0.44 0.42 -0.42 -0.55 8.34 8.23 1o9bB1 PHE 190 HA -0.31 0.03 0.21 -0.75 4.62 3.80 1o9bB1 PHE 190 HB2 0.18 -0.02 -0.11 -0.04 3.15 3.15 1o9bB1 PHE 190 HB3 0.02 0.09 -0.02 -0.04 3.06 3.11 1o9bB1 PHE 190 HD2 -0.74 -0.03 -0.10 -0.04 7.28 6.36 1o9bB1 PHE 190 HE2 -0.25 -0.03 -0.07 -0.04 7.38 6.99 1o9bB1 PHE 190 HZ -0.14 -0.03 -0.13 -0.04 7.32 6.98 1o9bB1 ALA 191 H 0.16 0.38 -0.17 -0.55 8.40 8.22 1o9bB1 ALA 191 HA -0.09 0.00 0.36 -0.75 4.34 3.85 1o9bB1 ALA 191 HB3 0.04 0.03 0.15 -0.04 1.41 1.60 1o9bB1 GLU 192 H 0.03 0.34 -0.31 -0.55 8.60 8.12 1o9bB1 GLU 192 HA -0.00 0.08 0.39 -0.75 4.29 4.01 1o9bB1 GLU 192 HB2 0.06 -0.08 0.19 -0.04 2.09 2.22 1o9bB1 GLU 192 HB3 0.03 0.01 -0.03 -0.04 1.99 1.96 1o9bB1 GLU 192 HG2 0.03 -0.00 -0.04 -0.04 2.34 2.28 1o9bB1 GLU 192 HG3 0.05 0.12 -0.01 -0.04 2.34 2.46 1o9bB1 ALA 193 H 0.06 0.35 0.11 -0.55 8.40 8.37 1o9bB1 ALA 193 HA 0.04 -0.01 0.25 -0.75 4.34 3.86 1o9bB1 ALA 193 HB3 0.13 -0.02 0.01 -0.04 1.41 1.49 1o9bB1 LEU 194 H -0.25 0.44 -0.75 -0.55 8.37 7.26 1o9bB1 LEU 194 HA -0.30 -0.01 0.36 -0.75 4.35 3.64 1o9bB1 LEU 194 HB2 -0.79 0.47 0.09 -0.04 1.64 1.36 1o9bB1 LEU 194 HB3 -0.38 0.10 0.03 -0.04 1.64 1.35 1o9bB1 LEU 194 HG -0.96 -0.13 -0.05 -0.04 1.64 0.47 1o9bB1 LEU 194 HD13 -0.81 -0.04 -0.11 -0.04 0.93 -0.07 1o9bB1 LEU 194 HD23 -0.28 0.05 -0.02 -0.04 0.89 0.59 1o9bB1 ALA 195 H -0.09 0.45 0.06 -0.55 8.40 8.27 1o9bB1 ALA 195 HA 0.21 0.11 0.61 -0.75 4.34 4.51 1o9bB1 ALA 195 HB3 0.04 -0.03 0.17 -0.04 1.41 1.55 1o9bB1 SER 196 H 0.03 0.32 -0.72 -0.55 8.46 7.54 1o9bB1 SER 196 HA 0.00 0.09 0.72 -0.75 4.49 4.55 1o9bB1 SER 196 HB2 0.01 -0.08 0.03 -0.04 3.95 3.86 1o9bB1 SER 196 HB3 0.01 -0.01 -0.30 -0.04 3.93 3.59 1o9bB1 ALA 197 H 0.10 0.31 -0.09 -0.55 8.40 8.17 1o9bB1 ALA 197 HA 0.05 0.07 0.97 -0.75 4.34 4.68 1o9bB1 ALA 197 HB3 -0.01 0.08 -0.02 -0.04 1.41 1.42 1o9bB1 ASP 198 H 0.07 0.43 0.33 -0.55 8.40 8.68 1o9bB1 ASP 198 HA 0.16 0.11 0.68 -0.75 4.63 4.82 1o9bB1 ASP 198 HB2 0.17 0.01 0.18 -0.04 2.71 3.02 1o9bB1 ASP 198 HB3 0.27 -0.00 0.11 -0.04 2.70 3.04 1o9bB1 ILE 199 H 0.03 0.33 0.34 -0.55 8.25 8.40 1o9bB1 ILE 199 HA -0.11 0.32 1.24 -0.75 4.18 4.87 1o9bB1 ILE 199 HB -0.02 -0.02 -0.16 -0.04 1.89 1.65 1o9bB1 ILE 199 HG12 -0.28 0.06 -0.22 -0.04 1.49 1.01 1o9bB1 ILE 199 HG13 0.06 -0.11 -0.17 -0.04 1.21 0.95 1o9bB1 ILE 199 HG23 -0.13 -0.02 -0.22 -0.04 0.93 0.51 1o9bB1 ILE 199 HD13 0.05 -0.02 -0.13 -0.04 0.88 0.74 1o9bB1 LEU 200 H -0.10 1.05 0.43 -0.55 8.37 9.21 1o9bB1 LEU 200 HA -0.07 0.31 1.05 -0.75 4.35 4.88 1o9bB1 LEU 200 HB2 -0.13 0.07 0.03 -0.04 1.64 1.58 1o9bB1 LEU 200 HB3 -0.09 -0.02 0.23 -0.04 1.64 1.72 1o9bB1 LEU 200 HG -0.04 -0.13 -0.22 -0.04 1.64 1.22 1o9bB1 LEU 200 HD13 -0.07 0.04 0.00 -0.04 0.93 0.86 1o9bB1 LEU 200 HD23 -0.08 -0.01 -0.08 -0.04 0.89 0.68 1o9bB1 THR 201 H -0.01 0.97 0.34 -0.55 8.28 9.03 1o9bB1 THR 201 HA 0.00 0.25 1.18 -0.75 4.39 5.07 1o9bB1 THR 201 HB 0.00 0.01 0.01 -0.04 4.32 4.31 1o9bB1 THR 201 HG23 -0.07 -0.04 -0.27 -0.04 1.22 0.79 1o9bB1 ASN 202 H -0.01 0.72 0.33 -0.55 8.53 9.02 1o9bB1 ASN 202 HA -0.02 0.09 1.16 -0.75 4.76 5.22 1o9bB1 ASN 202 HB2 -0.01 0.02 0.09 -0.04 2.88 2.93 1o9bB1 ASN 202 HB3 -0.03 0.08 0.32 -0.04 2.79 3.12 1o9bB1 ASN 202 HD21 -0.06 0.27 0.01 -0.04 7.03 7.22 1o9bB1 ASN 202 HD22 -0.04 -0.03 0.12 -0.04 7.74 7.75 1o9bB1 GLY 203 H -0.07 0.62 0.28 -0.55 8.43 8.71 1o9bB1 GLY 203 HA2 -0.11 0.21 0.87 -0.51 4.01 4.47 1o9bB1 GLY 203 HA3 -0.12 -0.10 0.33 -0.51 4.01 3.61 1o9bB1 THR 204 H -0.08 0.13 -0.17 -0.55 8.28 7.61 1o9bB1 THR 204 HA -0.15 0.08 0.87 -0.75 4.39 4.44 1o9bB1 THR 204 HB -0.10 -0.10 0.17 -0.04 4.32 4.25 1o9bB1 THR 204 HG23 -0.07 0.00 -0.15 -0.04 1.22 0.96 1o9bB1 LYS 205 H -0.10 0.06 0.15 -0.55 8.42 7.97 1o9bB1 LYS 205 HA -0.09 0.23 0.54 -0.75 4.32 4.26 1o9bB1 LYS 205 HB2 -0.06 -0.08 0.06 -0.04 1.87 1.75 1o9bB1 LYS 205 HB3 -0.06 0.11 0.10 -0.04 1.79 1.90 1o9bB1 LYS 205 HG2 -0.09 0.10 -0.01 -0.04 1.46 1.42 1o9bB1 LYS 205 HG3 -0.10 -0.14 0.03 -0.04 1.46 1.21 1o9bB1 LYS 205 HD2 -0.04 -0.06 0.03 -0.04 1.69 1.59 1o9bB1 LYS 205 HD3 -0.05 0.10 0.04 -0.04 1.68 1.73 1o9bB1 LYS 205 HE2 -0.05 0.08 0.02 -0.04 2.99 3.00 1o9bB1 LYS 205 HE3 -0.06 -0.09 0.03 -0.04 2.99 2.83 1o9bB1 VAL 206 H -0.07 -0.12 -0.27 -0.55 8.24 7.24 1o9bB1 VAL 206 HA -0.04 0.05 0.41 -0.75 4.13 3.79 1o9bB1 VAL 206 HB -0.05 -0.04 -0.00 -0.04 2.12 1.99 1o9bB1 VAL 206 HG13 -0.04 0.05 -0.32 -0.04 0.97 0.63 1o9bB1 VAL 206 HG23 -0.05 -0.04 -0.02 -0.04 0.95 0.81 1o9bB1 GLY 207 H -0.04 0.40 0.27 -0.55 8.43 8.51 1o9bB1 GLY 207 HA2 -0.04 0.14 0.42 -0.51 4.01 4.02 1o9bB1 GLY 207 HA3 -0.05 0.11 0.85 -0.51 4.01 4.41 1o9bB1 LYS 209 HA -0.02 -0.25 0.15 -0.75 4.32 3.45 1o9bB1 LYS 209 HB2 -0.01 0.08 0.08 -0.04 1.87 1.98 1o9bB1 LYS 209 HB3 -0.01 -0.00 -0.04 -0.04 1.79 1.70 1o9bB1 LYS 209 HG2 -0.01 -0.08 0.05 -0.04 1.46 1.37 1o9bB1 LYS 209 HG3 -0.01 0.07 0.10 -0.04 1.46 1.57 1o9bB1 LYS 209 HD2 0.00 0.05 -0.00 -0.04 1.69 1.70 1o9bB1 LYS 209 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.63 1o9bB1 LYS 209 HE2 -0.00 -0.04 0.01 -0.04 2.99 2.93 1o9bB1 LYS 209 HE3 -0.00 0.02 0.01 -0.04 2.99 2.98 1o9bB1 PRO 210 HA -0.01 0.08 0.31 -0.51 4.44 4.30 1o9bB1 PRO 210 HB2 -0.01 0.00 0.15 -0.04 2.28 2.38 1o9bB1 PRO 210 HB3 -0.01 0.05 0.11 -0.04 2.02 2.14 1o9bB1 PRO 210 HG2 -0.01 -0.01 -0.04 -0.04 2.03 1.92 1o9bB1 PRO 210 HG3 -0.01 0.02 0.07 -0.04 2.03 2.07 1o9bB1 PRO 210 HD2 -0.02 0.10 0.44 -0.04 3.68 4.17 1o9bB1 PRO 210 HD3 -0.01 0.10 0.08 -0.04 3.65 3.78 1o9bB1 LEU 211 H -0.03 0.31 -0.20 -0.55 8.37 7.90 1o9bB1 LEU 211 HA -0.02 0.18 0.78 -0.75 4.35 4.53 1o9bB1 LEU 211 HB2 -0.03 0.18 0.09 -0.04 1.64 1.83 1o9bB1 LEU 211 HB3 -0.03 -0.12 0.20 -0.04 1.64 1.64 1o9bB1 LEU 211 HG -0.02 0.01 -0.06 -0.04 1.64 1.53 1o9bB1 LEU 211 HD13 -0.02 0.05 -0.28 -0.04 0.93 0.64 1o9bB1 LEU 211 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.71 1o9bB1 GLU 212 H -0.02 0.17 -0.42 -0.55 8.60 7.78 1o9bB1 GLU 212 HA -0.03 0.35 0.46 -0.75 4.29 4.31 1o9bB1 GLU 212 HB2 -0.03 0.10 0.11 -0.04 2.09 2.23 1o9bB1 GLU 212 HB3 -0.02 0.03 -0.02 -0.04 1.99 1.94 1o9bB1 GLU 212 HG2 -0.02 -0.07 -0.04 -0.04 2.34 2.18 1o9bB1 GLU 212 HG3 -0.02 0.04 -0.06 -0.04 2.34 2.26 1o9bB1 ASN 213 H -0.02 0.10 -0.04 -0.55 8.53 8.02 1o9bB1 ASN 213 HA -0.02 0.18 0.56 -0.75 4.76 4.73 1o9bB1 ASN 213 HB2 -0.01 -0.02 0.09 -0.04 2.88 2.89 1o9bB1 ASN 213 HB3 -0.01 0.02 0.19 -0.04 2.79 2.95 1o9bB1 ASN 213 HD21 -0.01 0.03 0.01 -0.04 7.03 7.01 1o9bB1 ASN 213 HD22 -0.01 -0.01 0.03 -0.04 7.74 7.71 1o9bB1 GLU 214 H -0.03 0.30 -1.02 -0.55 8.60 7.31 1o9bB1 GLU 214 HA -0.02 0.20 0.91 -0.75 4.29 4.63 1o9bB1 GLU 214 HB2 -0.02 0.02 -0.15 -0.04 2.09 1.90 1o9bB1 GLU 214 HB3 -0.03 0.01 -0.13 -0.04 1.99 1.80 1o9bB1 GLU 214 HG2 -0.03 -0.08 -0.53 -0.04 2.34 1.66 1o9bB1 GLU 214 HG3 -0.03 0.10 -0.13 -0.04 2.34 2.25 1o9bB1 SER 215 H -0.02 0.32 0.14 -0.55 8.46 8.35 1o9bB1 SER 215 HA -0.02 0.15 0.73 -0.75 4.49 4.59 1o9bB1 SER 215 HB2 -0.02 -0.03 -0.22 -0.04 3.95 3.64 1o9bB1 SER 215 HB3 -0.01 0.14 -0.06 -0.04 3.93 3.96 1o9bB1 LEU 216 H -0.01 0.19 0.06 -0.55 8.37 8.05 1o9bB1 LEU 216 HA -0.06 0.13 0.58 -0.75 4.35 4.25 1o9bB1 LEU 216 HB2 -0.03 -0.01 0.08 -0.04 1.64 1.64 1o9bB1 LEU 216 HB3 -0.04 0.08 0.01 -0.04 1.64 1.66 1o9bB1 LEU 216 HG -0.17 0.02 0.06 -0.04 1.64 1.51 1o9bB1 LEU 216 HD13 -0.06 0.00 -0.09 -0.04 0.93 0.74 1o9bB1 LEU 216 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.77 1o9bB1 VAL 217 H 0.02 0.09 -0.47 -0.55 8.24 7.33 1o9bB1 VAL 217 HA 0.17 0.13 0.84 -0.75 4.13 4.52 1o9bB1 VAL 217 HB 0.10 0.09 -0.07 -0.04 2.12 2.20 1o9bB1 VAL 217 HG13 0.09 -0.01 -0.21 -0.04 0.97 0.80 1o9bB1 VAL 217 HG23 0.01 0.02 -0.25 -0.04 0.95 0.70 1o9bB1 ASN 218 H 0.07 0.11 0.02 -0.55 8.53 8.19 1o9bB1 ASN 218 HA 0.01 0.11 0.47 -0.75 4.76 4.60 1o9bB1 ASN 218 HB2 0.02 0.02 -0.03 -0.04 2.88 2.85 1o9bB1 ASN 218 HB3 0.01 0.02 0.04 -0.04 2.79 2.82 1o9bB1 ASN 218 HD21 0.08 0.05 0.05 -0.04 7.03 7.17 1o9bB1 ASN 218 HD22 0.05 -0.00 0.05 -0.04 7.74 7.80 1o9bB1 ASP 219 H 0.04 0.04 0.01 -0.55 8.40 7.94 1o9bB1 ASP 219 HA 0.01 0.08 0.49 -0.75 4.63 4.46 1o9bB1 ASP 219 HB2 0.03 -0.02 0.07 -0.04 2.71 2.75 1o9bB1 ASP 219 HB3 0.01 0.05 -0.18 -0.04 2.70 2.54 1o9bB1 ILE 220 H 0.00 0.17 0.17 -0.55 8.25 8.04 1o9bB1 ILE 220 HA -0.01 0.17 0.51 -0.75 4.18 4.10 1o9bB1 ILE 220 HB -0.00 -0.07 0.11 -0.04 1.89 1.89 1o9bB1 ILE 220 HG12 -0.01 0.04 0.01 -0.04 1.49 1.49 1o9bB1 ILE 220 HG13 -0.00 0.01 -0.04 -0.04 1.21 1.13 1o9bB1 ILE 220 HG23 -0.01 0.03 -0.08 -0.04 0.93 0.83 1o9bB1 ILE 220 HD13 -0.01 0.01 0.02 -0.04 0.88 0.85 1o9bB1 SER 221 H -0.00 -0.09 -0.26 -0.55 8.46 7.57 1o9bB1 SER 221 HA -0.00 0.28 0.58 -0.75 4.49 4.59 1o9bB1 SER 221 HB2 0.00 -0.02 0.10 -0.04 3.95 4.00 1o9bB1 SER 221 HB3 0.01 0.06 0.12 -0.04 3.93 4.08 1o9bB1 LEU 222 H -0.03 0.28 -0.80 -0.55 8.37 7.28 1o9bB1 LEU 222 HA -0.03 0.19 0.73 -0.75 4.35 4.49 1o9bB1 LEU 222 HB2 -0.03 0.01 -0.16 -0.04 1.64 1.42 1o9bB1 LEU 222 HB3 -0.12 0.04 -0.00 -0.04 1.64 1.51 1o9bB1 LEU 222 HG -0.02 0.05 -0.03 -0.04 1.64 1.60 1o9bB1 LEU 222 HD13 0.03 -0.06 -0.03 -0.04 0.93 0.83 1o9bB1 LEU 222 HD23 -0.16 -0.04 0.14 -0.04 0.89 0.79 1o9bB1 LEU 223 H -0.04 0.19 -0.14 -0.55 8.37 7.83 1o9bB1 LEU 223 HA -0.26 0.16 0.80 -0.75 4.35 4.30 1o9bB1 LEU 223 HB2 -0.07 0.08 0.13 -0.04 1.64 1.74 1o9bB1 LEU 223 HB3 -0.13 0.08 0.01 -0.04 1.64 1.56 1o9bB1 LEU 223 HG -0.07 -0.26 -0.37 -0.04 1.64 0.91 1o9bB1 LEU 223 HD13 -0.04 0.01 -0.13 -0.04 0.93 0.73 1o9bB1 LEU 223 HD23 -0.11 0.02 -0.17 -0.04 0.89 0.59 1o9bB1 HIS 224 H -0.80 0.13 0.01 -0.55 8.41 7.21 1o9bB1 HIS 224 HA -0.01 0.04 0.44 -0.75 4.63 4.34 1o9bB1 HIS 224 HB2 -0.00 -0.01 -0.02 -0.04 3.26 3.18 1o9bB1 HIS 224 HB3 -0.01 -0.05 0.08 -0.04 3.20 3.18 1o9bB1 HIS 224 HD2 0.01 -0.02 -0.12 -0.04 6.97 6.79 1o9bB1 HIS 224 HE1 -0.04 -0.19 -0.06 -0.04 7.75 7.41 1o9bB1 PRO 225 HA 0.03 0.64 0.52 -0.51 4.44 5.11 1o9bB1 PRO 225 HB2 0.05 -0.24 0.22 -0.04 2.28 2.27 1o9bB1 PRO 225 HB3 0.03 0.03 0.12 -0.04 2.02 2.16 1o9bB1 PRO 225 HG2 0.04 -0.03 0.10 -0.04 2.03 2.10 1o9bB1 PRO 225 HG3 0.04 0.04 0.10 -0.04 2.03 2.16 1o9bB1 PRO 225 HD2 0.11 0.07 0.13 -0.04 3.68 3.95 1o9bB1 PRO 225 HD3 0.10 0.06 0.21 -0.04 3.65 3.98 1o9bB1 GLY 226 H 0.06 0.04 0.03 -0.55 8.43 8.02 1o9bB1 GLY 226 HA2 0.05 0.17 0.53 -0.51 4.01 4.25 1o9bB1 GLY 226 HA3 0.07 -0.06 0.40 -0.51 4.01 3.91 1o9bB1 LEU 227 H -0.00 0.70 -0.01 -0.55 8.37 8.51 1o9bB1 LEU 227 HA 0.04 0.19 0.86 -0.75 4.35 4.69 1o9bB1 LEU 227 HB2 -0.22 -0.06 -0.17 -0.04 1.64 1.15 1o9bB1 LEU 227 HB3 -0.14 -0.01 -0.05 -0.04 1.64 1.40 1o9bB1 LEU 227 HG -0.12 0.06 -0.08 -0.04 1.64 1.46 1o9bB1 LEU 227 HD13 -0.25 -0.02 -0.01 -0.04 0.93 0.61 1o9bB1 LEU 227 HD23 -0.28 -0.05 -0.11 -0.04 0.89 0.41 1o9bB1 LEU 228 H -0.09 0.56 0.31 -0.55 8.37 8.61 1o9bB1 LEU 228 HA -0.15 0.32 0.88 -0.75 4.35 4.65 1o9bB1 LEU 228 HB2 -0.69 0.02 0.07 -0.04 1.64 1.00 1o9bB1 LEU 228 HB3 -0.45 -0.09 0.18 -0.04 1.64 1.24 1o9bB1 LEU 228 HG -0.30 -0.06 -0.22 -0.04 1.64 1.02 1o9bB1 LEU 228 HD13 -0.18 0.08 -0.14 -0.04 0.93 0.66 1o9bB1 LEU 228 HD23 -1.04 -0.02 -0.10 -0.04 0.89 -0.31 1o9bB1 VAL 229 H -0.09 0.66 0.35 -0.55 8.24 8.61 1o9bB1 VAL 229 HA -0.07 0.30 1.02 -0.75 4.13 4.62 1o9bB1 VAL 229 HB -0.05 0.04 0.13 -0.04 2.12 2.20 1o9bB1 VAL 229 HG13 -0.04 -0.01 -0.19 -0.04 0.97 0.69 1o9bB1 VAL 229 HG23 -0.08 0.00 -0.13 -0.04 0.95 0.69 1o9bB1 THR 230 H -0.03 0.69 0.36 -0.55 8.28 8.75 1o9bB1 THR 230 HA -0.01 0.25 1.10 -0.75 4.39 4.98 1o9bB1 THR 230 HB 0.09 0.07 -0.05 -0.04 4.32 4.40 1o9bB1 THR 230 HG23 -0.10 0.00 -0.22 -0.04 1.22 0.86 1o9bB1 GLU 231 H 0.03 0.71 0.26 -0.55 8.60 9.06 1o9bB1 GLU 231 HA 0.00 0.04 1.06 -0.75 4.29 4.65 1o9bB1 GLU 231 HB2 -0.02 -0.06 -0.06 -0.04 2.09 1.92 1o9bB1 GLU 231 HB3 -0.01 0.09 0.15 -0.04 1.99 2.18 1o9bB1 GLU 231 HG2 -0.04 0.07 0.03 -0.04 2.34 2.35 1o9bB1 GLU 231 HG3 -0.04 0.12 -0.07 -0.04 2.34 2.31 1o9bB1 CYS 232 H -0.02 0.40 0.25 -0.55 8.50 8.59 1o9bB1 CYS 232 HA 0.08 0.17 0.59 -0.75 4.58 4.67 1o9bB1 CYS 232 HB2 -0.06 0.02 0.12 -0.04 2.97 3.00 1o9bB1 CYS 232 HB3 -0.02 -0.06 0.02 -0.04 2.97 2.87 1o9bB1 VAL 233 H -0.06 0.02 -0.03 -0.55 8.24 7.63 1o9bB1 VAL 233 HA -0.21 -0.00 0.41 -0.75 4.13 3.57 1o9bB1 VAL 233 HB -0.08 -0.00 0.05 -0.04 2.12 2.04 1o9bB1 VAL 233 HG13 -0.14 -0.04 -0.26 -0.04 0.97 0.48 1o9bB1 VAL 233 HG23 -0.10 -0.02 -0.02 -0.04 0.95 0.78 1o9bB1 TYR 234 H -0.63 0.12 0.06 -0.55 8.29 7.29 1o9bB1 TYR 234 HA -0.33 0.22 0.85 -0.75 4.56 4.55 1o9bB1 TYR 234 HB2 -0.60 -0.00 0.10 -0.04 3.06 2.52 1o9bB1 TYR 234 HB3 -0.28 -0.01 -0.16 -0.04 2.98 2.49 1o9bB1 TYR 234 HD2 -0.03 0.12 -0.01 -0.04 7.15 7.18 1o9bB1 TYR 234 HE2 0.04 -0.03 -0.03 -0.04 6.85 6.79 1o9bB1 ASN 235 H -0.15 0.20 -0.53 -0.55 8.53 7.50 1o9bB1 ASN 235 HA -0.01 -0.22 0.10 -0.75 4.76 3.87 1o9bB1 ASN 235 HB2 0.05 0.18 -0.31 -0.04 2.88 2.76 1o9bB1 ASN 235 HB3 -0.04 -0.02 -0.02 -0.04 2.79 2.66 1o9bB1 ASN 235 HD21 0.05 -0.01 0.00 -0.04 7.03 7.03 1o9bB1 ASN 235 HD22 0.04 -0.03 -0.04 -0.04 7.74 7.67 1o9bB1 PRO 236 HA 0.01 0.04 0.35 -0.51 4.44 4.33 1o9bB1 PRO 236 HB2 -0.04 0.09 0.01 -0.04 2.28 2.30 1o9bB1 PRO 236 HB3 -0.01 0.00 0.11 -0.04 2.02 2.08 1o9bB1 PRO 236 HG2 -0.03 0.04 0.16 -0.04 2.03 2.16 1o9bB1 PRO 236 HG3 -0.02 -0.03 0.15 -0.04 2.03 2.08 1o9bB1 PRO 236 HD2 -0.05 0.25 0.21 -0.04 3.68 4.05 1o9bB1 PRO 236 HD3 -0.04 0.13 0.58 -0.04 3.65 4.28 1o9bB1 HIS 237 H 0.10 0.16 0.00 -0.55 8.41 8.12 1o9bB1 HIS 237 HA -0.28 0.04 0.13 -0.75 4.63 3.76 1o9bB1 HIS 237 HB2 -0.06 0.10 0.07 -0.04 3.26 3.33 1o9bB1 HIS 237 HB3 0.02 -0.02 0.12 -0.04 3.20 3.27 1o9bB1 HIS 237 HD2 0.12 0.03 0.04 -0.04 6.97 7.11 1o9bB1 HIS 237 HE1 0.04 -0.03 0.03 -0.04 7.75 7.75 1o9bB1 THR 239 HA -0.05 0.08 0.26 -0.75 4.39 3.93 1o9bB1 THR 239 HB -0.05 0.10 0.18 -0.04 4.32 4.51 1o9bB1 THR 239 HG23 -0.05 0.08 -0.09 -0.04 1.22 1.11 1o9bB1 LYS 240 H -0.04 0.26 0.20 -0.55 8.42 8.29 1o9bB1 LYS 240 HA -0.03 0.15 0.64 -0.75 4.32 4.33 1o9bB1 LYS 240 HB2 -0.03 0.06 -0.06 -0.04 1.87 1.81 1o9bB1 LYS 240 HB3 -0.02 -0.01 -0.11 -0.04 1.79 1.61 1o9bB1 LYS 240 HG2 -0.03 0.01 -0.04 -0.04 1.46 1.36 1o9bB1 LYS 240 HG3 -0.03 0.20 0.02 -0.04 1.46 1.62 1o9bB1 LYS 240 HD2 -0.02 -0.01 -0.03 -0.04 1.69 1.59 1o9bB1 LYS 240 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.56 1o9bB1 LYS 240 HE2 -0.02 -0.04 -0.34 -0.04 2.99 2.55 1o9bB1 LYS 240 HE3 -0.02 -0.03 -0.13 -0.04 2.99 2.77 1o9bB1 LEU 241 H -0.03 0.17 0.06 -0.55 8.37 8.02 1o9bB1 LEU 241 HA -0.02 0.08 0.41 -0.75 4.35 4.06 1o9bB1 LEU 241 HB2 -0.02 -0.13 0.12 -0.04 1.64 1.57 1o9bB1 LEU 241 HB3 -0.03 0.06 0.06 -0.04 1.64 1.69 1o9bB1 LEU 241 HG -0.02 0.10 -0.31 -0.04 1.64 1.37 1o9bB1 LEU 241 HD13 -0.01 -0.01 0.02 -0.04 0.93 0.89 1o9bB1 LEU 241 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.78 1o9bB1 LEU 242 H -0.03 0.09 -0.62 -0.55 8.37 7.26 1o9bB1 LEU 242 HA -0.03 0.12 0.48 -0.75 4.35 4.17 1o9bB1 LEU 242 HB2 -0.04 0.07 0.06 -0.04 1.64 1.69 1o9bB1 LEU 242 HB3 -0.04 0.08 -0.12 -0.04 1.64 1.52 1o9bB1 LEU 242 HG -0.02 -0.08 -0.11 -0.04 1.64 1.39 1o9bB1 LEU 242 HD13 -0.01 0.03 0.07 -0.04 0.93 0.97 1o9bB1 LEU 242 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 1o9bB1 GLN 243 H -0.04 0.24 -0.18 -0.55 8.47 7.94 1o9bB1 GLN 243 HA -0.03 0.08 0.41 -0.75 4.36 4.06 1o9bB1 GLN 243 HB2 -0.03 0.01 0.23 -0.04 2.15 2.32 1o9bB1 GLN 243 HB3 -0.03 -0.04 -0.02 -0.04 2.02 1.89 1o9bB1 GLN 243 HG2 -0.04 -0.04 0.02 -0.04 2.40 2.30 1o9bB1 GLN 243 HG3 -0.05 0.22 0.06 -0.04 2.39 2.58 1o9bB1 GLN 243 HE21 -0.04 -0.08 -0.07 -0.04 6.97 6.75 1o9bB1 GLN 243 HE22 -0.06 0.06 -0.06 -0.04 7.69 7.59 1o9bB1 GLN 244 H -0.02 0.60 -0.20 -0.55 8.47 8.31 1o9bB1 GLN 244 HA -0.02 0.02 0.35 -0.75 4.36 3.96 1o9bB1 GLN 244 HB2 -0.02 0.09 0.02 -0.04 2.15 2.19 1o9bB1 GLN 244 HB3 -0.02 -0.02 -0.04 -0.04 2.02 1.90 1o9bB1 GLN 244 HG2 -0.01 -0.06 -0.03 -0.04 2.40 2.26 1o9bB1 GLN 244 HG3 -0.02 0.42 0.03 -0.04 2.39 2.78 1o9bB1 GLN 244 HE21 0.00 0.41 -0.07 -0.04 6.97 7.28 1o9bB1 GLN 244 HE22 -0.00 -0.07 -0.10 -0.04 7.69 7.48 1o9bB1 ALA 245 H -0.03 0.25 -0.51 -0.55 8.40 7.56 1o9bB1 ALA 245 HA -0.04 0.05 0.36 -0.75 4.34 3.95 1o9bB1 ALA 245 HB3 -0.03 0.07 0.04 -0.04 1.41 1.45 1o9bB1 GLN 246 H -0.02 0.34 -0.48 -0.55 8.47 7.76 1o9bB1 GLN 246 HA -0.01 0.11 0.51 -0.75 4.36 4.21 1o9bB1 GLN 246 HB2 -0.02 0.12 0.18 -0.04 2.15 2.39 1o9bB1 GLN 246 HB3 -0.01 -0.08 0.10 -0.04 2.02 1.98 1o9bB1 GLN 246 HG2 -0.01 0.04 0.05 -0.04 2.40 2.44 1o9bB1 GLN 246 HG3 -0.02 0.03 0.00 -0.04 2.39 2.37 1o9bB1 GLN 246 HE21 -0.01 -0.05 0.00 -0.04 6.97 6.88 1o9bB1 GLN 246 HE22 -0.01 0.02 -0.02 -0.04 7.69 7.63 1o9bB1 GLN 247 H -0.02 0.50 -0.67 -0.55 8.47 7.73 1o9bB1 GLN 247 HA -0.01 0.12 0.88 -0.75 4.36 4.60 1o9bB1 GLN 247 HB2 -0.01 0.09 0.13 -0.04 2.15 2.31 1o9bB1 GLN 247 HB3 -0.01 -0.04 0.12 -0.04 2.02 2.05 1o9bB1 GLN 247 HG2 -0.01 -0.09 0.02 -0.04 2.40 2.29 1o9bB1 GLN 247 HG3 -0.01 -0.05 0.10 -0.04 2.39 2.40 1o9bB1 GLN 247 HE21 -0.01 -0.03 -0.04 -0.04 6.97 6.85 1o9bB1 GLN 247 HE22 -0.01 -0.03 0.04 -0.04 7.69 7.65 1o9bB1 ALA 248 H -0.01 0.27 -0.15 -0.55 8.40 7.96 1o9bB1 ALA 248 HA -0.00 0.11 0.81 -0.75 4.34 4.51 1o9bB1 ALA 248 HB3 -0.02 0.06 0.07 -0.04 1.41 1.48 1o9bB1 GLY 249 H -0.00 0.11 -0.11 -0.55 8.43 7.88 1o9bB1 GLY 249 HA2 0.01 -0.01 0.27 -0.51 4.01 3.77 1o9bB1 GLY 249 HA3 0.01 -0.03 0.38 -0.51 4.01 3.86 1o9bB1 CYS 250 H -0.01 0.08 -0.13 -0.55 8.50 7.89 1o9bB1 CYS 250 HA 0.00 0.21 0.87 -0.75 4.58 4.90 1o9bB1 CYS 250 HB2 -0.03 -0.01 0.11 -0.04 2.97 3.00 1o9bB1 CYS 250 HB3 -0.04 0.23 0.20 -0.04 2.97 3.31 1o9bB1 LYS 251 H -0.00 0.32 0.24 -0.55 8.42 8.42 1o9bB1 LYS 251 HA 0.01 0.07 0.75 -0.75 4.32 4.39 1o9bB1 LYS 251 HB2 0.03 0.01 0.03 -0.04 1.87 1.90 1o9bB1 LYS 251 HB3 0.00 -0.02 -0.10 -0.04 1.79 1.63 1o9bB1 LYS 251 HG2 0.03 -0.00 0.05 -0.04 1.46 1.49 1o9bB1 LYS 251 HG3 0.04 0.00 -0.04 -0.04 1.46 1.42 1o9bB1 LYS 251 HD2 0.09 -0.02 -0.05 -0.04 1.69 1.68 1o9bB1 LYS 251 HD3 0.07 0.00 -0.06 -0.04 1.68 1.64 1o9bB1 LYS 251 HE2 0.04 -0.00 0.01 -0.04 2.99 3.00 1o9bB1 LYS 251 HE3 0.04 -0.04 -0.01 -0.04 2.99 2.95 1o9bB1 THR 252 H -0.00 0.16 0.20 -0.55 8.28 8.10 1o9bB1 THR 252 HA -0.04 0.33 1.16 -0.75 4.39 5.09 1o9bB1 THR 252 HB -0.01 -0.02 -0.01 -0.04 4.32 4.24 1o9bB1 THR 252 HG23 -0.02 0.05 -0.23 -0.04 1.22 0.98 1o9bB1 ILE 253 H -0.04 0.57 0.34 -0.55 8.25 8.57 1o9bB1 ILE 253 HA -0.00 0.12 0.91 -0.75 4.18 4.45 1o9bB1 ILE 253 HB -0.09 -0.05 0.11 -0.04 1.89 1.81 1o9bB1 ILE 253 HG12 -0.04 0.08 -0.01 -0.04 1.49 1.48 1o9bB1 ILE 253 HG13 -0.09 -0.02 -0.27 -0.04 1.21 0.79 1o9bB1 ILE 253 HG23 -0.12 0.01 -0.14 -0.04 0.93 0.64 1o9bB1 ILE 253 HD13 -0.14 -0.00 -0.16 -0.04 0.88 0.54 1o9bB1 ASP 254 H 0.03 0.13 0.12 -0.55 8.40 8.14 1o9bB1 ASP 254 HA 0.01 0.16 0.51 -0.75 4.63 4.56 1o9bB1 ASP 254 HB2 -0.02 -0.28 0.11 -0.04 2.71 2.49 1o9bB1 ASP 254 HB3 0.05 0.15 0.19 -0.04 2.70 3.04 1o9bB1 GLY 255 H -0.13 0.21 0.21 -0.55 8.43 8.18 1o9bB1 GLY 255 HA2 0.06 0.22 0.57 -0.51 4.01 4.35 1o9bB1 GLY 255 HA3 -0.00 0.09 0.00 -0.51 4.01 3.59 1o9bB1 TYR 256 H -0.21 0.03 -0.04 -0.55 8.29 7.51 1o9bB1 TYR 256 HA -0.28 0.09 0.40 -0.75 4.56 4.01 1o9bB1 TYR 256 HB2 -0.21 -0.05 0.07 -0.04 3.06 2.82 1o9bB1 TYR 256 HB3 -0.29 0.06 -0.01 -0.04 2.98 2.70 1o9bB1 TYR 256 HD2 -0.66 -0.01 0.02 -0.04 7.15 6.47 1o9bB1 TYR 256 HE2 -0.65 0.00 0.04 -0.04 6.85 6.20 1o9bB1 GLY 257 H 0.09 0.08 -0.47 -0.55 8.43 7.58 1o9bB1 GLY 257 HA2 0.18 0.06 0.23 -0.51 4.01 3.97 1o9bB1 GLY 257 HA3 0.15 0.09 0.15 -0.51 4.01 3.89 1o9bB1 LEU 259 HA 0.01 -0.15 0.30 -0.75 4.35 3.75 1o9bB1 LEU 259 HB2 -0.20 0.08 0.07 -0.04 1.64 1.56 1o9bB1 LEU 259 HB3 -0.04 0.06 0.07 -0.04 1.64 1.69 1o9bB1 LEU 259 HG -0.06 0.00 -0.22 -0.04 1.64 1.32 1o9bB1 LEU 259 HD13 -0.14 -0.05 0.01 -0.04 0.93 0.71 1o9bB1 LEU 259 HD23 -0.46 0.01 -0.07 -0.04 0.89 0.33 1o9bB1 LEU 260 H 0.04 0.84 -0.49 -0.55 8.37 8.21 1o9bB1 LEU 260 HA -0.05 0.03 0.39 -0.75 4.35 3.96 1o9bB1 LEU 260 HB2 -0.13 0.11 0.10 -0.04 1.64 1.68 1o9bB1 LEU 260 HB3 -0.26 -0.11 -0.02 -0.04 1.64 1.21 1o9bB1 LEU 260 HG 0.13 0.11 0.03 -0.04 1.64 1.87 1o9bB1 LEU 260 HD13 0.07 -0.01 -0.09 -0.04 0.93 0.86 1o9bB1 LEU 260 HD23 0.09 -0.00 -0.11 -0.04 0.89 0.83 1o9bB1 TRP 261 H 0.16 0.54 0.20 -0.55 7.97 8.31 1o9bB1 TRP 261 HA -0.07 0.07 0.63 -0.75 4.62 4.49 1o9bB1 TRP 261 HB2 -0.01 0.19 0.14 -0.04 3.23 3.51 1o9bB1 TRP 261 HB3 -0.03 -0.09 0.05 -0.04 3.23 3.12 1o9bB1 TRP 261 HD1 0.00 0.39 0.11 -0.04 7.22 7.68 1o9bB1 TRP 261 HE1 0.02 0.02 -0.02 -0.04 10.20 10.18 1o9bB1 TRP 261 HE3 -0.01 -0.08 0.03 -0.04 7.59 7.48 1o9bB1 TRP 261 HZ2 0.03 0.04 -0.03 -0.04 7.44 7.43 1o9bB1 TRP 261 HZ3 0.03 -0.02 -0.02 -0.04 7.13 7.08 1o9bB1 TRP 261 HH2 0.03 -0.00 -0.02 -0.04 7.19 7.16 1o9bB1 GLN 262 H 0.10 0.25 -0.23 -0.55 8.47 8.04 1o9bB1 GLN 262 HA 0.04 0.06 0.43 -0.75 4.36 4.13 1o9bB1 GLN 262 HB2 0.03 -0.15 -0.13 -0.04 2.15 1.87 1o9bB1 GLN 262 HB3 0.07 0.03 0.03 -0.04 2.02 2.12 1o9bB1 GLN 262 HG2 0.04 0.01 0.03 -0.04 2.40 2.43 1o9bB1 GLN 262 HG3 -0.01 0.40 0.10 -0.04 2.39 2.84 1o9bB1 GLN 262 HE21 0.04 -0.06 -0.08 -0.04 6.97 6.83 1o9bB1 GLN 262 HE22 -0.02 0.17 -0.02 -0.04 7.69 7.79 1o9bB1 GLY 263 H -0.14 0.47 -0.29 -0.55 8.43 7.93 1o9bB1 GLY 263 HA2 -0.16 0.00 0.37 -0.51 4.01 3.71 1o9bB1 GLY 263 HA3 -0.33 0.17 0.25 -0.51 4.01 3.59 1o9bB1 ALA 264 H -0.58 0.49 -0.12 -0.55 8.40 7.65 1o9bB1 ALA 264 HA -1.23 0.00 0.36 -0.75 4.34 2.72 1o9bB1 ALA 264 HB3 -0.15 0.03 0.13 -0.04 1.41 1.38 1o9bB1 GLU 265 H -0.08 0.54 -0.24 -0.55 8.60 8.27 1o9bB1 GLU 265 HA -0.04 0.03 0.40 -0.75 4.29 3.92 1o9bB1 GLU 265 HB2 -0.05 0.15 0.14 -0.04 2.09 2.28 1o9bB1 GLU 265 HB3 -0.11 -0.10 -0.04 -0.04 1.99 1.70 1o9bB1 GLU 265 HG2 0.01 -0.03 -0.02 -0.04 2.34 2.26 1o9bB1 GLU 265 HG3 0.11 0.00 -0.00 -0.04 2.34 2.41 1o9bB1 GLN 266 H -0.25 0.44 -0.16 -0.55 8.47 7.95 1o9bB1 GLN 266 HA -0.81 -0.04 0.39 -0.75 4.36 3.15 1o9bB1 GLN 266 HB2 -0.30 0.14 0.14 -0.04 2.15 2.08 1o9bB1 GLN 266 HB3 -1.70 0.01 -0.03 -0.04 2.02 0.26 1o9bB1 GLN 266 HG2 -0.42 -0.12 0.02 -0.04 2.40 1.84 1o9bB1 GLN 266 HG3 -0.22 0.13 0.07 -0.04 2.39 2.33 1o9bB1 GLN 266 HE21 0.22 -0.03 0.15 -0.04 6.97 7.27 1o9bB1 GLN 266 HE22 0.05 -0.09 0.00 -0.04 7.69 7.61 1o9bB1 PHE 267 H -0.07 0.64 -0.17 -0.55 8.34 8.19 1o9bB1 PHE 267 HA 0.25 0.02 0.32 -0.75 4.62 4.45 1o9bB1 PHE 267 HB2 0.01 0.04 0.05 -0.04 3.15 3.22 1o9bB1 PHE 267 HB3 -0.01 0.15 0.16 -0.04 3.06 3.31 1o9bB1 PHE 267 HD2 0.23 0.06 -0.26 -0.04 7.28 7.26 1o9bB1 PHE 267 HE2 0.13 0.01 -0.42 -0.04 7.38 7.06 1o9bB1 PHE 267 HZ 0.09 0.10 -0.21 -0.04 7.32 7.26 1o9bB1 THR 268 H 0.10 0.54 -0.09 -0.55 8.28 8.28 1o9bB1 THR 268 HA 0.06 0.13 0.44 -0.75 4.39 4.27 1o9bB1 THR 268 HB -0.01 0.00 0.09 -0.04 4.32 4.37 1o9bB1 THR 268 HG23 0.03 -0.01 -0.20 -0.04 1.22 1.00 1o9bB1 LEU 269 H -0.27 0.50 -0.18 -0.55 8.37 7.88 1o9bB1 LEU 269 HA -0.20 -0.01 0.35 -0.75 4.35 3.73 1o9bB1 LEU 269 HB2 -0.71 0.12 0.16 -0.04 1.64 1.17 1o9bB1 LEU 269 HB3 -0.60 -0.04 -0.08 -0.04 1.64 0.89 1o9bB1 LEU 269 HG -0.36 0.05 0.02 -0.04 1.64 1.31 1o9bB1 LEU 269 HD13 -0.76 -0.05 -0.15 -0.04 0.93 -0.06 1o9bB1 LEU 269 HD23 -0.54 -0.02 -0.04 -0.04 0.89 0.25 1o9bB1 TRP 270 H -0.19 0.42 -0.27 -0.55 7.97 7.38 1o9bB1 TRP 270 HA -0.15 0.11 0.63 -0.75 4.62 4.46 1o9bB1 TRP 270 HB2 -0.33 0.04 0.03 -0.04 3.23 2.93 1o9bB1 TRP 270 HB3 -0.39 0.00 -0.08 -0.04 3.23 2.72 1o9bB1 TRP 270 HD1 -0.06 0.07 -0.04 -0.04 7.22 7.16 1o9bB1 TRP 270 HE1 0.02 0.27 0.11 -0.04 10.20 10.57 1o9bB1 TRP 270 HE3 -0.04 0.04 -0.23 -0.04 7.59 7.32 1o9bB1 TRP 270 HZ2 0.08 0.03 -0.32 -0.04 7.44 7.19 1o9bB1 TRP 270 HZ3 0.16 -0.00 -0.16 -0.04 7.13 7.09 1o9bB1 TRP 270 HH2 0.24 -0.07 -0.06 -0.04 7.19 7.26 1o9bB1 THR 271 H -0.15 0.33 -0.09 -0.55 8.28 7.82 1o9bB1 THR 271 HA -0.24 0.14 0.62 -0.75 4.39 4.16 1o9bB1 THR 271 HB -0.67 0.73 0.22 -0.04 4.32 4.56 1o9bB1 THR 271 HG23 -0.28 -0.12 -0.18 -0.04 1.22 0.60 1o9bB1 GLY 272 H -0.06 0.93 0.20 -0.55 8.43 8.95 1o9bB1 GLY 272 HA2 0.01 0.00 0.34 -0.51 4.01 3.85 1o9bB1 GLY 272 HA3 0.02 0.08 0.56 -0.51 4.01 4.16 1o9bB1 LYS 273 H -0.01 0.02 -0.53 -0.55 8.42 7.35 1o9bB1 LYS 273 HA 0.10 0.18 0.82 -0.75 4.32 4.66 1o9bB1 LYS 273 HB2 0.22 0.02 -0.15 -0.04 1.87 1.92 1o9bB1 LYS 273 HB3 0.18 -0.09 0.08 -0.04 1.79 1.92 1o9bB1 LYS 273 HG2 0.05 0.16 -0.19 -0.04 1.46 1.45 1o9bB1 LYS 273 HG3 0.10 0.04 -0.05 -0.04 1.46 1.51 1o9bB1 LYS 273 HD2 0.07 -0.06 -0.01 -0.04 1.69 1.65 1o9bB1 LYS 273 HD3 0.07 0.08 -0.25 -0.04 1.68 1.53 1o9bB1 LYS 273 HE2 0.04 -0.06 -0.04 -0.04 2.99 2.89 1o9bB1 LYS 273 HE3 0.06 0.12 -0.06 -0.04 2.99 3.06 1o9bB1 ASP 274 H 0.16 0.15 0.09 -0.55 8.40 8.26 1o9bB1 ASP 274 HA 0.20 0.08 0.64 -0.75 4.63 4.80 1o9bB1 ASP 274 HB2 0.08 -0.00 0.06 -0.04 2.71 2.81 1o9bB1 ASP 274 HB3 0.09 0.03 -0.07 -0.04 2.70 2.70 1o9bB1 PHE 275 H 0.25 0.11 0.13 -0.55 8.34 8.28 1o9bB1 PHE 275 HA -0.76 0.19 0.36 -0.75 4.62 3.66 1o9bB1 PHE 275 HB2 -0.12 0.12 0.17 -0.04 3.15 3.29 1o9bB1 PHE 275 HB3 -0.19 -0.08 0.17 -0.04 3.06 2.92 1o9bB1 PHE 275 HD2 -0.87 -0.03 -0.08 -0.04 7.28 6.26 1o9bB1 PHE 275 HE2 -0.27 0.04 -0.09 -0.04 7.38 7.02 1o9bB1 PHE 275 HZ -0.19 0.06 -0.14 -0.04 7.32 7.02 1o9bB1 PRO 276 HA -0.25 0.07 0.45 -0.51 4.44 4.20 1o9bB1 PRO 276 HB2 -0.19 -0.11 0.20 -0.04 2.28 2.14 1o9bB1 PRO 276 HB3 -0.26 0.12 0.12 -0.04 2.02 1.95 1o9bB1 PRO 276 HG2 -0.71 -0.05 0.06 -0.04 2.03 1.29 1o9bB1 PRO 276 HG3 -0.34 0.15 0.14 -0.04 2.03 1.93 1o9bB1 PRO 276 HD2 -1.16 0.05 0.16 -0.04 3.68 2.70 1o9bB1 PRO 276 HD3 -0.38 0.31 0.19 -0.04 3.65 3.73 1o9bB1 LEU 277 H -0.26 0.63 0.15 -0.55 8.37 8.34 1o9bB1 LEU 277 HA -0.37 0.06 0.13 -0.75 4.35 3.42 1o9bB1 LEU 277 HB2 -0.24 0.08 0.09 -0.04 1.64 1.54 1o9bB1 LEU 277 HB3 -0.26 -0.02 0.04 -0.04 1.64 1.36 1o9bB1 LEU 277 HG -0.16 0.00 -0.02 -0.04 1.64 1.42 1o9bB1 LEU 277 HD13 -1.23 -0.01 -0.13 -0.04 0.93 -0.49 1o9bB1 LEU 277 HD23 -0.34 0.01 -0.19 -0.04 0.89 0.32 1o9bB1 GLU 278 H -0.14 0.10 -0.07 -0.55 8.60 7.94 1o9bB1 GLU 278 HA -0.12 0.13 0.43 -0.75 4.29 3.98 1o9bB1 GLU 278 HB2 -0.06 -0.05 0.09 -0.04 2.09 2.03 1o9bB1 GLU 278 HB3 -0.06 0.05 -0.05 -0.04 1.99 1.89 1o9bB1 GLU 278 HG2 -0.05 -0.02 0.01 -0.04 2.34 2.24 1o9bB1 GLU 278 HG3 -0.03 0.01 0.01 -0.04 2.34 2.29 1o9bB1 TYR 279 H -0.06 0.04 -0.26 -0.55 8.29 7.46 1o9bB1 TYR 279 HA -0.16 0.04 0.38 -0.75 4.56 4.06 1o9bB1 TYR 279 HB2 -0.17 -0.04 0.08 -0.04 3.06 2.89 1o9bB1 TYR 279 HB3 -0.27 0.11 0.14 -0.04 2.98 2.92 1o9bB1 TYR 279 HD2 -0.21 -0.02 -0.04 -0.04 7.15 6.84 1o9bB1 TYR 279 HE2 -0.12 0.07 -0.10 -0.04 6.85 6.66 1o9bB1 VAL 280 H -0.32 0.57 -0.08 -0.55 8.24 7.85 1o9bB1 VAL 280 HA -0.59 0.00 0.30 -0.75 4.13 3.08 1o9bB1 VAL 280 HB -0.35 0.04 -0.06 -0.04 2.12 1.71 1o9bB1 VAL 280 HG13 -0.15 0.01 -0.21 -0.04 0.97 0.57 1o9bB1 VAL 280 HG23 -0.36 -0.00 -0.11 -0.04 0.95 0.44 1o9bB1 LYS 281 H -0.30 0.35 -0.41 -0.55 8.42 7.51 1o9bB1 LYS 281 HA -0.53 0.01 0.41 -0.75 4.32 3.47 1o9bB1 LYS 281 HB2 -0.15 0.04 0.12 -0.04 1.87 1.84 1o9bB1 LYS 281 HB3 -0.17 0.12 0.17 -0.04 1.79 1.86 1o9bB1 LYS 281 HG2 -0.08 0.07 -0.09 -0.04 1.46 1.33 1o9bB1 LYS 281 HG3 0.06 -0.05 0.03 -0.04 1.46 1.46 1o9bB1 LYS 281 HD2 -0.05 -0.08 -0.05 -0.04 1.69 1.48 1o9bB1 LYS 281 HD3 -0.05 -0.03 -0.02 -0.04 1.68 1.54 1o9bB1 LYS 281 HE2 0.05 -0.08 -0.05 -0.04 2.99 2.87 1o9bB1 LYS 281 HE3 0.03 -0.07 -0.03 -0.04 2.99 2.87 1o9bB1 GLN 282 H -0.32 0.37 -0.11 -0.55 8.47 7.87 1o9bB1 GLN 282 HA -0.23 0.04 0.59 -0.75 4.36 4.00 1o9bB1 GLN 282 HB2 -0.23 0.04 0.11 -0.04 2.15 2.02 1o9bB1 GLN 282 HB3 -0.16 -0.07 0.02 -0.04 2.02 1.77 1o9bB1 GLN 282 HG2 -0.11 -0.02 0.00 -0.04 2.40 2.24 1o9bB1 GLN 282 HG3 -0.15 0.22 0.09 -0.04 2.39 2.50 1o9bB1 GLN 282 HE21 -0.03 -0.08 -0.06 -0.04 6.97 6.76 1o9bB1 GLN 282 HE22 -0.06 0.02 -0.12 -0.04 7.69 7.48 1o9bB1 VAL 283 H -0.51 0.42 -0.08 -0.55 8.24 7.52 1o9bB1 VAL 283 HA -0.30 -0.02 0.26 -0.75 4.13 3.31 1o9bB1 VAL 283 HB -0.62 0.05 0.10 -0.04 2.12 1.61 1o9bB1 VAL 283 HG13 -0.26 -0.02 0.07 -0.04 0.97 0.71 1o9bB1 VAL 283 HG23 -0.79 -0.01 -0.01 -0.04 0.95 0.10 1o9bB1 GLY 285 HA2 -0.15 -0.02 0.23 -0.51 4.01 3.56 1o9bB1 GLY 285 HA3 -0.09 -0.15 0.39 -0.51 4.01 3.64 1o9bB1 PHE 286 H -0.22 0.42 0.19 -0.55 8.34 8.18 1o9bB1 PHE 286 HA -0.39 0.02 0.77 -0.75 4.62 4.27 1o9bB1 PHE 286 HB2 -0.32 0.01 0.12 -0.04 3.15 2.93 1o9bB1 PHE 286 HB3 -0.53 -0.18 0.08 -0.04 3.06 2.39 1o9bB1 PHE 286 HD2 -0.44 0.12 -0.43 -0.04 7.28 6.49 1o9bB1 PHE 286 HE2 -0.26 -0.06 -0.11 -0.04 7.38 6.92 1o9bB1 PHE 286 HZ -0.22 -0.08 -0.09 -0.04 7.32 6.88