============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 11 1.000 57.462 -5.682 8.907 -99.200 -91.000 PHE 19 1.000 52.703 7.904 17.185 -99.200 -91.000 TYR 24 0.840 46.114 16.022 8.786 -99.200 -91.000 TYR 26 0.840 40.949 9.959 17.888 -99.200 -91.000 TRP 37 1.040 45.086 27.942 20.024 -99.200 -91.000 TRP6 37 1.020 44.830 26.169 18.489 -99.200 -91.000 TYR 39 0.840 47.317 32.891 19.135 -99.200 -91.000 TYR 41 0.840 49.003 39.076 17.797 -99.200 -91.000 TYR 42 0.840 46.932 42.884 25.080 -99.200 -91.000 TYR 56 0.840 30.301 15.698 19.288 -99.200 -91.000 PHE 64 1.000 37.120 48.003 25.064 -99.200 -91.000 TYR 70 0.840 44.650 41.903 35.661 -99.200 -91.000 HIS 75 0.900 50.533 49.416 41.222 -99.200 -91.000 TYR 79 0.840 38.520 55.692 39.152 -99.200 -91.000 TYR 82 0.840 34.240 52.593 36.131 -99.200 -91.000 TYR 89 0.840 32.145 49.840 28.083 -99.200 -91.000 TYR 90 0.840 27.237 58.787 24.759 -99.200 -91.000 PHE 99 1.000 43.512 60.508 21.234 -99.200 -91.000 HIS 100 0.900 45.342 53.573 21.776 -99.200 -91.000 PHE 112 1.000 37.884 28.538 14.118 -99.200 -91.000 TYR 135 0.840 21.591 52.313 16.489 -99.200 -91.000 HIS 140 0.900 23.240 36.923 10.007 -99.200 -91.000 TRP 142 1.040 25.563 33.908 12.565 -99.200 -91.000 TRP6 142 1.020 25.721 33.274 10.296 -99.200 -91.000 TYR 149 0.840 39.265 32.197 9.737 -99.200 -91.000 TYR 161 0.840 41.680 25.611 7.437 -99.200 -91.000 HIS 163 0.900 39.450 37.132 9.584 -99.200 -91.000 TYR 164 0.840 47.358 40.123 12.125 -99.200 -91.000 PHE 165 1.000 39.874 40.829 13.343 -99.200 -91.000 HIS 169 0.900 42.405 52.558 11.178 -99.200 -91.000 TYR 171 0.840 37.993 53.906 12.879 -99.200 -91.000 HIS 182 0.900 35.918 17.248 13.848 -99.200 -91.000 TYR 188 0.840 25.436 9.873 13.710 -99.200 -91.000 HIS 194 0.900 19.887 7.308 16.614 -99.200 -91.000 PHE 200 1.000 21.770 20.556 24.266 -99.200 -91.000 PHE 209 1.000 46.922 28.396 28.251 -99.200 -91.000 TYR 213 0.840 52.349 32.301 26.585 -99.200 -91.000 TRP 214 1.040 56.142 38.884 30.309 -99.200 -91.000 TRP6 214 1.020 58.115 38.620 31.606 -99.200 -91.000 HIS 222 0.900 59.298 29.196 26.735 -99.200 -91.000 TYR 223 0.840 49.331 28.392 23.692 -99.200 -91.000 TYR 229 0.840 48.361 24.158 21.013 -99.200 -91.000 TYR 231 0.840 51.572 32.715 16.218 -99.200 -91.000 HIS 237 0.900 58.936 30.754 9.309 -99.200 -91.000 TYR 239 0.840 56.622 29.857 13.730 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oh6A1 ALA 2 HA 0.02 -0.11 0.19 -0.75 4.34 3.69 2oh6A1 ALA 2 HB3 0.02 -0.02 0.04 -0.04 1.41 1.41 2oh6A1 ASP 3 H 0.00 0.01 0.05 -0.55 8.40 7.91 2oh6A1 ASP 3 HA -0.01 0.09 0.53 -0.75 4.63 4.48 2oh6A1 ASP 3 HB2 -0.05 -0.03 -0.05 -0.04 2.71 2.54 2oh6A1 ASP 3 HB3 -0.04 0.03 -0.05 -0.04 2.70 2.59 2oh6A1 VAL 4 H -0.02 0.10 0.10 -0.55 8.24 7.86 2oh6A1 VAL 4 HA -0.01 0.13 0.60 -0.75 4.13 4.09 2oh6A1 VAL 4 HB -0.02 -0.04 0.07 -0.04 2.12 2.10 2oh6A1 VAL 4 HG13 -0.01 0.05 -0.07 -0.04 0.97 0.90 2oh6A1 VAL 4 HG23 -0.01 0.02 0.01 -0.04 0.95 0.93 2oh6A1 ALA 5 H -0.01 0.15 0.12 -0.55 8.40 8.11 2oh6A1 ALA 5 HA -0.03 -0.08 0.33 -0.75 4.34 3.80 2oh6A1 ALA 5 HB3 -0.01 0.03 0.10 -0.04 1.41 1.48 2oh6A1 GLY 6 H -0.04 0.03 0.23 -0.55 8.43 8.10 2oh6A1 GLY 6 HA2 -0.03 -0.00 0.36 -0.51 4.01 3.84 2oh6A1 GLY 6 HA3 -0.02 0.10 0.19 -0.51 4.01 3.77 2oh6A1 THR 7 H -0.04 0.06 -0.10 -0.55 8.28 7.66 2oh6A1 THR 7 HA -0.02 0.22 0.77 -0.75 4.39 4.60 2oh6A1 THR 7 HB -0.02 -0.03 0.16 -0.04 4.32 4.39 2oh6A1 THR 7 HG23 -0.02 0.08 -0.21 -0.04 1.22 1.03 2oh6A1 SER 8 H -0.06 0.08 0.16 -0.55 8.46 8.10 2oh6A1 SER 8 HA -0.05 0.23 0.56 -0.75 4.49 4.48 2oh6A1 SER 8 HB2 -0.06 -0.02 0.17 -0.04 3.95 3.99 2oh6A1 SER 8 HB3 -0.05 0.21 -0.22 -0.04 3.93 3.84 2oh6A1 ASN 9 H -0.07 0.24 0.14 -0.55 8.53 8.29 2oh6A1 ASN 9 HA -0.11 0.16 0.59 -0.75 4.76 4.65 2oh6A1 ASN 9 HB2 -0.06 0.05 0.13 -0.04 2.88 2.95 2oh6A1 ASN 9 HB3 -0.05 0.05 0.10 -0.04 2.79 2.86 2oh6A1 ASN 9 HD21 -0.02 0.03 0.02 -0.04 7.03 7.02 2oh6A1 ASN 9 HD22 -0.02 0.04 0.03 -0.04 7.74 7.74 2oh6A1 ARG 10 H -0.20 0.04 -0.37 -0.55 8.46 7.37 2oh6A1 ARG 10 HA -1.08 0.24 0.72 -0.75 4.34 3.48 2oh6A1 ARG 10 HB2 -0.17 -0.02 -0.01 -0.04 1.90 1.66 2oh6A1 ARG 10 HB3 -0.24 0.03 0.17 -0.04 1.80 1.72 2oh6A1 ARG 10 HG2 -0.12 -0.09 -0.04 -0.04 1.67 1.38 2oh6A1 ARG 10 HG3 -0.05 0.05 0.01 -0.04 1.67 1.64 2oh6A1 ARG 10 HD2 0.10 0.02 0.01 -0.04 3.22 3.32 2oh6A1 ARG 10 HD3 -0.13 0.05 -0.13 -0.04 3.22 2.98 2oh6A1 ASP 11 H -0.26 0.33 -0.44 -0.55 8.40 7.49 2oh6A1 ASP 11 HA -0.13 0.15 0.77 -0.75 4.63 4.67 2oh6A1 ASP 11 HB2 -0.09 -0.01 0.18 -0.04 2.71 2.74 2oh6A1 ASP 11 HB3 -0.09 0.09 0.25 -0.04 2.70 2.91 2oh6A1 PHE 12 H -0.12 0.46 -0.12 -0.55 8.34 8.01 2oh6A1 PHE 12 HA 0.00 0.11 0.38 -0.75 4.62 4.36 2oh6A1 PHE 12 HB2 -0.00 0.02 0.07 -0.04 3.15 3.20 2oh6A1 PHE 12 HB3 -0.00 0.04 0.01 -0.04 3.06 3.07 2oh6A1 PHE 12 HD2 0.00 -0.00 0.03 -0.04 7.28 7.27 2oh6A1 PHE 12 HE2 0.00 0.02 0.03 -0.04 7.38 7.39 2oh6A1 PHE 12 HZ 0.00 0.00 0.01 -0.04 7.32 7.29 2oh6A1 ARG 13 H 0.09 0.10 -0.11 -0.55 8.46 7.99 2oh6A1 ARG 13 HA 0.05 0.14 0.55 -0.75 4.34 4.32 2oh6A1 ARG 13 HB2 0.04 0.05 0.10 -0.04 1.90 2.05 2oh6A1 ARG 13 HB3 0.02 -0.08 0.05 -0.04 1.80 1.75 2oh6A1 ARG 13 HG2 0.00 0.01 -0.19 -0.04 1.67 1.45 2oh6A1 ARG 13 HG3 -0.00 0.04 0.03 -0.04 1.67 1.70 2oh6A1 ARG 13 HD2 -0.01 0.05 -0.02 -0.04 3.22 3.20 2oh6A1 ARG 13 HD3 0.00 0.03 0.01 -0.04 3.22 3.22 2oh6A1 GLY 14 H 0.01 0.04 -0.26 -0.55 8.43 7.67 2oh6A1 GLY 14 HA2 0.01 0.07 0.47 -0.51 4.01 4.06 2oh6A1 GLY 14 HA3 -0.00 0.07 0.28 -0.51 4.01 3.84 2oh6A1 ARG 15 H 0.03 0.46 -0.05 -0.55 8.46 8.34 2oh6A1 ARG 15 HA 0.04 0.05 0.45 -0.75 4.34 4.12 2oh6A1 ARG 15 HB2 0.13 0.03 0.13 -0.04 1.90 2.15 2oh6A1 ARG 15 HB3 0.08 -0.00 0.04 -0.04 1.80 1.88 2oh6A1 ARG 15 HG2 -0.00 -0.06 0.01 -0.04 1.67 1.57 2oh6A1 ARG 15 HG3 -0.04 0.10 -0.05 -0.04 1.67 1.64 2oh6A1 ARG 15 HD2 0.06 -0.01 0.01 -0.04 3.22 3.24 2oh6A1 ARG 15 HD3 0.00 -0.03 0.01 -0.04 3.22 3.17 2oh6A1 GLU 16 H 0.08 0.57 -0.17 -0.55 8.60 8.54 2oh6A1 GLU 16 HA 0.08 0.01 0.44 -0.75 4.29 4.07 2oh6A1 GLU 16 HB2 0.04 0.08 0.20 -0.04 2.09 2.37 2oh6A1 GLU 16 HB3 0.02 -0.03 0.03 -0.04 1.99 1.97 2oh6A1 GLU 16 HG2 0.10 0.06 0.09 -0.04 2.34 2.55 2oh6A1 GLU 16 HG3 0.04 -0.05 0.00 -0.04 2.34 2.29 2oh6A1 GLN 17 H 0.04 0.51 -0.16 -0.55 8.47 8.31 2oh6A1 GLN 17 HA 0.07 0.03 0.47 -0.75 4.36 4.17 2oh6A1 GLN 17 HB2 0.01 0.03 0.15 -0.04 2.15 2.30 2oh6A1 GLN 17 HB3 0.04 0.08 0.18 -0.04 2.02 2.28 2oh6A1 GLN 17 HG2 0.04 -0.06 0.02 -0.04 2.40 2.35 2oh6A1 GLN 17 HG3 0.08 0.01 -0.17 -0.04 2.39 2.27 2oh6A1 GLN 17 HE21 -0.03 0.02 0.02 -0.04 6.97 6.94 2oh6A1 GLN 17 HE22 -0.01 -0.01 0.02 -0.04 7.69 7.65 2oh6A1 ARG 18 H 0.06 0.46 -0.18 -0.55 8.46 8.24 2oh6A1 ARG 18 HA 0.06 0.22 0.27 -0.75 4.34 4.13 2oh6A1 ARG 18 HB2 0.03 0.02 0.00 -0.04 1.90 1.91 2oh6A1 ARG 18 HB3 0.04 0.07 0.08 -0.04 1.80 1.96 2oh6A1 ARG 18 HG2 0.03 -0.07 -0.19 -0.04 1.67 1.40 2oh6A1 ARG 18 HG3 0.02 -0.02 -0.44 -0.04 1.67 1.19 2oh6A1 ARG 18 HD2 0.02 -0.02 -0.07 -0.04 3.22 3.11 2oh6A1 ARG 18 HD3 0.01 0.06 -0.10 -0.04 3.22 3.15 2oh6A1 LEU 19 H 0.08 0.58 -0.09 -0.55 8.37 8.40 2oh6A1 LEU 19 HA 0.06 -0.01 0.51 -0.75 4.35 4.15 2oh6A1 LEU 19 HB2 0.09 0.10 0.19 -0.04 1.64 1.99 2oh6A1 LEU 19 HB3 0.08 -0.04 -0.03 -0.04 1.64 1.61 2oh6A1 LEU 19 HG 0.06 0.12 0.05 -0.04 1.64 1.83 2oh6A1 LEU 19 HD13 0.06 -0.02 -0.04 -0.04 0.93 0.89 2oh6A1 LEU 19 HD23 0.05 -0.02 0.01 -0.04 0.89 0.89 2oh6A1 PHE 20 H 0.23 0.63 -0.11 -0.55 8.34 8.53 2oh6A1 PHE 20 HA 0.02 -0.02 0.45 -0.75 4.62 4.32 2oh6A1 PHE 20 HB2 0.01 0.02 0.15 -0.04 3.15 3.30 2oh6A1 PHE 20 HB3 0.02 0.17 0.25 -0.04 3.06 3.45 2oh6A1 PHE 20 HD2 0.01 0.01 0.00 -0.04 7.28 7.25 2oh6A1 PHE 20 HE2 -0.00 -0.00 -0.02 -0.04 7.38 7.32 2oh6A1 PHE 20 HZ -0.00 0.01 -0.02 -0.04 7.32 7.27 2oh6A1 ASN 21 H 0.16 0.54 -0.03 -0.55 8.53 8.65 2oh6A1 ASN 21 HA -0.11 -0.00 0.59 -0.75 4.76 4.48 2oh6A1 ASN 21 HB2 0.05 0.18 0.36 -0.04 2.88 3.43 2oh6A1 ASN 21 HB3 0.02 0.05 0.23 -0.04 2.79 3.05 2oh6A1 ASN 21 HD21 0.10 -0.23 0.02 -0.04 7.03 6.88 2oh6A1 ASN 21 HD22 0.06 0.65 0.25 -0.04 7.74 8.65 2oh6A1 SER 22 H 0.04 0.54 -0.03 -0.55 8.46 8.46 2oh6A1 SER 22 HA 0.06 -0.05 0.42 -0.75 4.49 4.17 2oh6A1 SER 22 HB2 0.05 0.10 0.21 -0.04 3.95 4.27 2oh6A1 SER 22 HB3 0.05 -0.05 0.10 -0.04 3.93 3.99 2oh6A1 GLU 23 H 0.02 0.79 -0.04 -0.55 8.60 8.82 2oh6A1 GLU 23 HA 0.05 -0.03 0.49 -0.75 4.29 4.05 2oh6A1 GLU 23 HB2 -0.04 0.14 0.18 -0.04 2.09 2.33 2oh6A1 GLU 23 HB3 -0.01 -0.06 0.02 -0.04 1.99 1.91 2oh6A1 GLU 23 HG2 0.04 -0.07 0.03 -0.04 2.34 2.30 2oh6A1 GLU 23 HG3 0.05 0.06 0.08 -0.04 2.34 2.48 2oh6A1 GLN 24 H -0.12 0.50 -0.18 -0.55 8.47 8.13 2oh6A1 GLN 24 HA -0.03 -0.00 0.49 -0.75 4.36 4.07 2oh6A1 GLN 24 HB2 -0.11 0.17 0.21 -0.04 2.15 2.38 2oh6A1 GLN 24 HB3 -0.06 -0.02 0.04 -0.04 2.02 1.93 2oh6A1 GLN 24 HG2 -0.29 -0.08 0.05 -0.04 2.40 2.04 2oh6A1 GLN 24 HG3 -0.58 0.29 0.15 -0.04 2.39 2.21 2oh6A1 GLN 24 HE21 -0.10 -0.01 -0.01 -0.04 6.97 6.80 2oh6A1 GLN 24 HE22 -0.14 -0.02 0.01 -0.04 7.69 7.49 2oh6A1 TYR 25 H 0.13 0.46 -0.10 -0.55 8.29 8.24 2oh6A1 TYR 25 HA 0.02 0.06 0.37 -0.75 4.56 4.25 2oh6A1 TYR 25 HB2 0.00 -0.01 0.02 -0.04 3.06 3.03 2oh6A1 TYR 25 HB3 0.01 0.04 0.09 -0.04 2.98 3.08 2oh6A1 TYR 25 HD2 0.01 0.02 -0.02 -0.04 7.15 7.12 2oh6A1 TYR 25 HE2 0.01 0.06 0.05 -0.04 6.85 6.93 2oh6A1 ASN 26 H 0.14 0.54 -0.12 -0.55 8.53 8.54 2oh6A1 ASN 26 HA 0.01 0.05 0.47 -0.75 4.76 4.53 2oh6A1 ASN 26 HB2 0.09 0.10 0.15 -0.04 2.88 3.18 2oh6A1 ASN 26 HB3 0.07 -0.06 -0.02 -0.04 2.79 2.74 2oh6A1 ASN 26 HD21 0.12 -0.12 0.03 -0.04 7.03 7.02 2oh6A1 ASN 26 HD22 0.11 0.47 0.07 -0.04 7.74 8.35 2oh6A1 TYR 27 H 0.15 0.78 0.00 -0.55 8.29 8.67 2oh6A1 TYR 27 HA -0.01 -0.06 0.52 -0.75 4.56 4.26 2oh6A1 TYR 27 HB2 -0.02 0.05 0.14 -0.04 3.06 3.19 2oh6A1 TYR 27 HB3 -0.03 0.09 0.13 -0.04 2.98 3.13 2oh6A1 TYR 27 HD2 -0.02 0.00 -0.07 -0.04 7.15 7.02 2oh6A1 TYR 27 HE2 -0.02 -0.01 -0.06 -0.04 6.85 6.72 2oh6A1 ASN 28 H 0.05 0.47 -0.22 -0.55 8.53 8.29 2oh6A1 ASN 28 HA -0.02 -0.10 0.44 -0.75 4.76 4.33 2oh6A1 ASN 28 HB2 0.01 0.10 0.17 -0.04 2.88 3.12 2oh6A1 ASN 28 HB3 -0.14 0.12 0.11 -0.04 2.79 2.84 2oh6A1 ASN 28 HD21 0.06 -0.07 0.02 -0.04 7.03 7.00 2oh6A1 ASN 28 HD22 -0.01 0.04 0.04 -0.04 7.74 7.77 2oh6A1 SER 29 H -0.10 0.21 -0.32 -0.55 8.46 7.70 2oh6A1 SER 29 HA -0.05 0.15 0.65 -0.75 4.49 4.49 2oh6A1 SER 29 HB2 -0.09 0.01 0.11 -0.04 3.95 3.94 2oh6A1 SER 29 HB3 -0.05 -0.09 0.14 -0.04 3.93 3.89 2oh6A1 SER 30 H -0.10 0.30 -0.28 -0.55 8.46 7.83 2oh6A1 SER 30 HA -0.04 0.02 0.70 -0.75 4.49 4.42 2oh6A1 SER 30 HB2 -0.12 -0.16 0.17 -0.04 3.95 3.80 2oh6A1 SER 30 HB3 -0.11 0.09 0.16 -0.04 3.93 4.04 2oh6A1 LEU 31 H -0.12 0.05 0.18 -0.55 8.37 7.94 2oh6A1 LEU 31 HA -0.43 0.25 0.40 -0.75 4.35 3.81 2oh6A1 LEU 31 HB2 -0.07 -0.07 0.12 -0.04 1.64 1.57 2oh6A1 LEU 31 HB3 0.01 -0.00 0.14 -0.04 1.64 1.74 2oh6A1 LEU 31 HG -0.03 -0.05 0.14 -0.04 1.64 1.65 2oh6A1 LEU 31 HD13 0.04 -0.03 0.05 -0.04 0.93 0.95 2oh6A1 LEU 31 HD23 -0.01 0.03 0.08 -0.04 0.89 0.94 2oh6A1 ASN 32 H -0.27 -0.03 -0.31 -0.55 8.53 7.38 2oh6A1 ASN 32 HA -0.21 0.09 0.65 -0.75 4.76 4.54 2oh6A1 ASN 32 HB2 -0.41 0.02 -0.00 -0.04 2.88 2.45 2oh6A1 ASN 32 HB3 -0.08 0.00 0.07 -0.04 2.79 2.74 2oh6A1 ASN 32 HD21 -0.02 -0.04 -0.02 -0.04 7.03 6.90 2oh6A1 ASN 32 HD22 -0.04 0.07 0.03 -0.04 7.74 7.75 2oh6A1 GLY 33 H -0.41 0.42 -0.34 -0.55 8.43 7.56 2oh6A1 GLY 33 HA2 -0.26 -0.05 0.48 -0.51 4.01 3.67 2oh6A1 GLY 33 HA3 -0.23 0.25 0.37 -0.51 4.01 3.89 2oh6A1 GLU 34 H -0.00 0.01 0.15 -0.55 8.60 8.21 2oh6A1 GLU 34 HA -0.04 0.11 0.42 -0.75 4.29 4.03 2oh6A1 GLU 34 HB2 0.03 -0.05 0.05 -0.04 2.09 2.08 2oh6A1 GLU 34 HB3 -0.01 0.01 -0.06 -0.04 1.99 1.89 2oh6A1 GLU 34 HG2 0.02 -0.03 0.01 -0.04 2.34 2.30 2oh6A1 GLU 34 HG3 0.04 -0.01 -0.01 -0.04 2.34 2.31 2oh6A1 VAL 35 H 0.01 0.93 0.38 -0.55 8.24 9.02 2oh6A1 VAL 35 HA 0.01 0.04 0.33 -0.75 4.13 3.76 2oh6A1 VAL 35 HB 0.06 0.12 -0.09 -0.04 2.12 2.17 2oh6A1 VAL 35 HG13 0.06 -0.01 -0.35 -0.04 0.97 0.63 2oh6A1 VAL 35 HG23 0.05 -0.03 -0.31 -0.04 0.95 0.61 2oh6A1 SER 36 H 0.01 0.12 0.14 -0.55 8.46 8.18 2oh6A1 SER 36 HA -0.30 0.40 1.13 -0.75 4.49 4.96 2oh6A1 SER 36 HB2 -0.48 -0.08 0.00 -0.04 3.95 3.36 2oh6A1 SER 36 HB3 -1.01 0.09 0.02 -0.04 3.93 2.99 2oh6A1 VAL 37 H -0.61 0.59 0.38 -0.55 8.24 8.06 2oh6A1 VAL 37 HA -0.45 0.30 1.04 -0.75 4.13 4.26 2oh6A1 VAL 37 HB -0.52 -0.03 -0.18 -0.04 2.12 1.36 2oh6A1 VAL 37 HG13 -0.23 -0.00 -0.15 -0.04 0.97 0.55 2oh6A1 VAL 37 HG23 -0.72 0.00 -0.16 -0.04 0.95 0.04 2oh6A1 TRP 38 H 0.14 0.74 0.41 -0.55 7.97 8.70 2oh6A1 TRP 38 HA -0.19 0.31 1.00 -0.75 4.62 4.99 2oh6A1 TRP 38 HB2 0.04 -0.07 0.11 -0.04 3.23 3.27 2oh6A1 TRP 38 HB3 -0.57 0.00 -0.05 -0.04 3.23 2.57 2oh6A1 TRP 38 HD1 0.07 -0.02 -0.12 -0.04 7.22 7.10 2oh6A1 TRP 38 HE1 -0.34 0.00 -0.13 -0.04 10.20 9.69 2oh6A1 TRP 38 HE3 -0.01 0.14 -0.30 -0.04 7.59 7.38 2oh6A1 TRP 38 HZ2 -1.67 0.04 -0.11 -0.04 7.44 5.66 2oh6A1 TRP 38 HZ3 -0.00 -0.05 -0.31 -0.04 7.13 6.72 2oh6A1 TRP 38 HH2 -0.19 0.03 -0.07 -0.04 7.19 6.93 2oh6A1 VAL 39 H -0.10 0.70 0.33 -0.55 8.24 8.62 2oh6A1 VAL 39 HA 0.03 0.25 1.03 -0.75 4.13 4.70 2oh6A1 VAL 39 HB -0.05 -0.04 0.15 -0.04 2.12 2.14 2oh6A1 VAL 39 HG13 0.00 -0.00 -0.20 -0.04 0.97 0.73 2oh6A1 VAL 39 HG23 0.01 -0.01 -0.12 -0.04 0.95 0.78 2oh6A1 TYR 40 H 0.18 0.81 0.32 -0.55 8.29 9.05 2oh6A1 TYR 40 HA -0.11 0.34 1.02 -0.75 4.56 5.05 2oh6A1 TYR 40 HB2 0.07 -0.10 0.18 -0.04 3.06 3.17 2oh6A1 TYR 40 HB3 -0.49 -0.03 -0.05 -0.04 2.98 2.37 2oh6A1 TYR 40 HD2 0.06 0.04 -0.14 -0.04 7.15 7.08 2oh6A1 TYR 40 HE2 0.06 0.00 -0.13 -0.04 6.85 6.75 2oh6A1 ALA 41 H -0.19 0.64 0.30 -0.55 8.40 8.60 2oh6A1 ALA 41 HA -0.14 0.29 1.10 -0.75 4.34 4.84 2oh6A1 ALA 41 HB3 -0.21 -0.00 0.12 -0.04 1.41 1.27 2oh6A1 TYR 42 H 0.04 0.54 0.24 -0.55 8.29 8.56 2oh6A1 TYR 42 HA -0.16 0.19 0.78 -0.75 4.56 4.61 2oh6A1 TYR 42 HB2 -0.02 -0.08 0.06 -0.04 3.06 2.98 2oh6A1 TYR 42 HB3 0.01 0.05 -0.05 -0.04 2.98 2.94 2oh6A1 TYR 42 HD2 0.03 0.08 -0.27 -0.04 7.15 6.95 2oh6A1 TYR 42 HE2 0.12 -0.05 -0.13 -0.04 6.85 6.74 2oh6A1 TYR 43 H 0.02 0.69 0.27 -0.55 8.29 8.72 2oh6A1 TYR 43 HA 0.08 0.24 0.93 -0.75 4.56 5.06 2oh6A1 TYR 43 HB2 0.06 -0.13 0.02 -0.04 3.06 2.96 2oh6A1 TYR 43 HB3 0.04 0.06 0.11 -0.04 2.98 3.14 2oh6A1 TYR 43 HD2 0.03 0.02 -0.39 -0.04 7.15 6.78 2oh6A1 TYR 43 HE2 -0.01 0.08 -0.07 -0.04 6.85 6.82 2oh6A1 SER 44 H 0.21 0.37 0.20 -0.55 8.46 8.69 2oh6A1 SER 44 HA 0.11 0.10 0.32 -0.75 4.49 4.26 2oh6A1 SER 44 HB2 0.09 0.00 0.11 -0.04 3.95 4.11 2oh6A1 SER 44 HB3 0.14 0.10 0.15 -0.04 3.93 4.28 2oh6A1 ASP 45 H 0.12 0.09 -0.16 -0.55 8.40 7.90 2oh6A1 ASP 45 HA 0.04 0.17 0.68 -0.75 4.63 4.77 2oh6A1 ASP 45 HB2 -0.01 0.03 0.16 -0.04 2.71 2.84 2oh6A1 ASP 45 HB3 0.01 -0.01 0.07 -0.04 2.70 2.74 2oh6A1 GLY 46 H 0.13 0.49 -0.48 -0.55 8.43 8.03 2oh6A1 GLY 46 HA2 0.12 0.01 0.29 -0.51 4.01 3.93 2oh6A1 GLY 46 HA3 0.09 0.08 0.58 -0.51 4.01 4.24 2oh6A1 SER 47 H 0.18 -0.09 -0.36 -0.55 8.46 7.65 2oh6A1 SER 47 HA 0.22 0.11 0.26 -0.75 4.49 4.33 2oh6A1 SER 47 HB2 0.27 0.16 0.03 -0.04 3.95 4.37 2oh6A1 SER 47 HB3 0.19 0.01 -0.00 -0.04 3.93 4.09 2oh6A1 VAL 48 H 0.21 0.64 0.20 -0.55 8.24 8.74 2oh6A1 VAL 48 HA -0.15 0.33 0.98 -0.75 4.13 4.54 2oh6A1 VAL 48 HB 0.08 -0.11 -0.03 -0.04 2.12 2.02 2oh6A1 VAL 48 HG13 -0.36 0.03 -0.25 -0.04 0.97 0.34 2oh6A1 VAL 48 HG23 0.10 -0.01 -0.38 -0.04 0.95 0.62 2oh6A1 LEU 49 H -0.16 0.57 0.30 -0.55 8.37 8.53 2oh6A1 LEU 49 HA 0.06 0.18 1.04 -0.75 4.35 4.87 2oh6A1 LEU 49 HB2 0.28 -0.03 0.09 -0.04 1.64 1.94 2oh6A1 LEU 49 HB3 -0.00 -0.03 0.22 -0.04 1.64 1.79 2oh6A1 LEU 49 HG -0.02 0.00 -0.35 -0.04 1.64 1.23 2oh6A1 LEU 49 HD13 -0.01 0.02 -0.10 -0.04 0.93 0.80 2oh6A1 LEU 49 HD23 0.06 0.01 -0.06 -0.04 0.89 0.86 2oh6A1 VAL 50 H 0.01 0.55 0.35 -0.55 8.24 8.60 2oh6A1 VAL 50 HA -0.18 0.31 1.04 -0.75 4.13 4.54 2oh6A1 VAL 50 HB 0.04 -0.07 0.01 -0.04 2.12 2.06 2oh6A1 VAL 50 HG13 -0.06 -0.00 0.02 -0.04 0.97 0.88 2oh6A1 VAL 50 HG23 -0.12 0.00 -0.20 -0.04 0.95 0.59 2oh6A1 ILE 51 H -0.13 0.66 0.32 -0.55 8.25 8.55 2oh6A1 ILE 51 HA -0.05 0.31 0.90 -0.75 4.18 4.59 2oh6A1 ILE 51 HB -0.06 -0.08 0.17 -0.04 1.89 1.88 2oh6A1 ILE 51 HG12 -0.06 0.01 0.05 -0.04 1.49 1.45 2oh6A1 ILE 51 HG13 -0.06 -0.07 -0.33 -0.04 1.21 0.70 2oh6A1 ILE 51 HG23 -0.05 0.00 -0.04 -0.04 0.93 0.80 2oh6A1 ILE 51 HD13 -0.03 0.00 -0.08 -0.04 0.88 0.74 2oh6A1 ASN 52 H 0.07 0.77 0.39 -0.55 8.53 9.21 2oh6A1 ASN 52 HA -0.33 0.28 1.17 -0.75 4.76 5.13 2oh6A1 ASN 52 HB2 0.21 -0.04 -0.05 -0.04 2.88 2.95 2oh6A1 ASN 52 HB3 0.28 -0.05 0.07 -0.04 2.79 3.05 2oh6A1 ASN 52 HD21 -1.13 -0.06 -0.15 -0.04 7.03 5.65 2oh6A1 ASN 52 HD22 -1.38 0.41 0.22 -0.04 7.74 6.95 2oh6A1 LYS 53 H -0.43 0.56 0.36 -0.55 8.42 8.35 2oh6A1 LYS 53 HA -0.12 0.31 0.78 -0.75 4.32 4.54 2oh6A1 LYS 53 HB2 -0.10 -0.03 -0.07 -0.04 1.87 1.63 2oh6A1 LYS 53 HB3 -0.13 -0.10 0.04 -0.04 1.79 1.56 2oh6A1 LYS 53 HG2 -0.07 -0.01 -0.12 -0.04 1.46 1.22 2oh6A1 LYS 53 HG3 -0.05 0.06 -0.11 -0.04 1.46 1.32 2oh6A1 LYS 53 HD2 -0.05 0.01 0.08 -0.04 1.69 1.70 2oh6A1 LYS 53 HD3 -0.03 0.01 -0.01 -0.04 1.68 1.61 2oh6A1 LYS 53 HE2 -0.02 0.02 -0.02 -0.04 2.99 2.92 2oh6A1 LYS 53 HE3 -0.04 -0.08 0.02 -0.04 2.99 2.86 2oh6A1 ASN 54 H -0.10 0.72 0.33 -0.55 8.53 8.94 2oh6A1 ASN 54 HA -0.18 0.21 1.05 -0.75 4.76 5.08 2oh6A1 ASN 54 HB2 -0.06 -0.01 0.22 -0.04 2.88 3.00 2oh6A1 ASN 54 HB3 -0.07 0.00 0.04 -0.04 2.79 2.71 2oh6A1 ASN 54 HD21 -0.06 -0.02 -0.16 -0.04 7.03 6.76 2oh6A1 ASN 54 HD22 -0.02 0.03 -0.09 -0.04 7.74 7.61 2oh6A1 SER 55 H -0.07 0.70 0.40 -0.55 8.46 8.94 2oh6A1 SER 55 HA -0.05 0.11 0.82 -0.75 4.49 4.62 2oh6A1 SER 55 HB2 -0.03 -0.10 -0.14 -0.04 3.95 3.63 2oh6A1 SER 55 HB3 -0.02 0.22 0.05 -0.04 3.93 4.14 2oh6A1 GLN 56 H -0.10 0.12 0.22 -0.55 8.47 8.16 2oh6A1 GLN 56 HA -0.24 0.27 0.74 -0.75 4.36 4.37 2oh6A1 GLN 56 HB2 -0.30 -0.02 0.07 -0.04 2.15 1.86 2oh6A1 GLN 56 HB3 -0.54 -0.07 0.09 -0.04 2.02 1.46 2oh6A1 GLN 56 HG2 -1.72 -0.05 0.07 -0.04 2.40 0.66 2oh6A1 GLN 56 HG3 -0.56 0.26 -0.03 -0.04 2.39 2.02 2oh6A1 GLN 56 HE21 -0.15 -0.15 0.03 -0.04 6.97 6.67 2oh6A1 GLN 56 HE22 -0.43 0.45 0.19 -0.04 7.69 7.86 2oh6A1 TYR 57 H -0.30 0.33 0.13 -0.55 8.29 7.90 2oh6A1 TYR 57 HA -0.06 0.06 0.44 -0.75 4.56 4.24 2oh6A1 TYR 57 HB2 -0.05 0.18 0.04 -0.04 3.06 3.18 2oh6A1 TYR 57 HB3 -0.05 -0.09 -0.00 -0.04 2.98 2.79 2oh6A1 TYR 57 HD2 -0.07 0.04 -0.01 -0.04 7.15 7.07 2oh6A1 TYR 57 HE2 -0.04 0.02 -0.10 -0.04 6.85 6.70 2oh6A1 LYS 58 H 0.08 0.91 0.27 -0.55 8.42 9.13 2oh6A1 LYS 58 HA 0.04 0.04 0.76 -0.75 4.32 4.41 2oh6A1 LYS 58 HB2 -0.01 0.05 0.07 -0.04 1.87 1.93 2oh6A1 LYS 58 HB3 0.01 -0.01 -0.10 -0.04 1.79 1.65 2oh6A1 LYS 58 HG2 -0.03 -0.06 -0.13 -0.04 1.46 1.20 2oh6A1 LYS 58 HG3 0.04 0.05 -0.01 -0.04 1.46 1.49 2oh6A1 LYS 58 HD2 -0.00 0.06 -0.47 -0.04 1.69 1.23 2oh6A1 LYS 58 HD3 -0.04 -0.04 -0.16 -0.04 1.68 1.40 2oh6A1 LYS 58 HE2 -0.04 -0.02 -0.11 -0.04 2.99 2.79 2oh6A1 LYS 58 HE3 -0.00 0.04 -0.15 -0.04 2.99 2.83 2oh6A1 VAL 59 H 0.03 0.62 0.32 -0.55 8.24 8.67 2oh6A1 VAL 59 HA -0.00 0.13 0.66 -0.75 4.13 4.16 2oh6A1 VAL 59 HB -0.01 0.10 -0.48 -0.04 2.12 1.70 2oh6A1 VAL 59 HG13 0.07 -0.04 -0.39 -0.04 0.97 0.58 2oh6A1 VAL 59 HG23 -0.09 0.05 -0.11 -0.04 0.95 0.77 2oh6A1 GLY 60 H -0.01 0.33 0.20 -0.55 8.43 8.40 2oh6A1 GLY 60 HA2 0.03 0.05 0.40 -0.51 4.01 3.97 2oh6A1 GLY 60 HA3 0.03 0.08 0.59 -0.51 4.01 4.19 2oh6A1 ILE 61 H 0.02 0.52 0.35 -0.55 8.25 8.58 2oh6A1 ILE 61 HA -0.01 0.17 0.87 -0.75 4.18 4.45 2oh6A1 ILE 61 HB -0.02 -0.05 -0.01 -0.04 1.89 1.78 2oh6A1 ILE 61 HG12 -0.07 0.09 -0.20 -0.04 1.49 1.27 2oh6A1 ILE 61 HG13 -0.09 -0.10 -0.50 -0.04 1.21 0.48 2oh6A1 ILE 61 HG23 -0.01 0.00 -0.23 -0.04 0.93 0.65 2oh6A1 ILE 61 HD13 -0.12 -0.01 -0.28 -0.04 0.88 0.42 2oh6A1 SER 62 H 0.01 0.27 0.15 -0.55 8.46 8.35 2oh6A1 SER 62 HA 0.04 0.24 1.10 -0.75 4.49 5.12 2oh6A1 SER 62 HB2 0.04 0.02 -0.06 -0.04 3.95 3.90 2oh6A1 SER 62 HB3 0.02 -0.01 0.06 -0.04 3.93 3.97 2oh6A1 GLU 63 H 0.05 0.77 0.33 -0.55 8.60 9.20 2oh6A1 GLU 63 HA 0.02 0.10 0.97 -0.75 4.29 4.63 2oh6A1 GLU 63 HB2 0.04 0.04 0.01 -0.04 2.09 2.14 2oh6A1 GLU 63 HB3 0.02 0.02 -0.08 -0.04 1.99 1.92 2oh6A1 GLU 63 HG2 0.01 -0.12 -0.48 -0.04 2.34 1.71 2oh6A1 GLU 63 HG3 0.00 0.03 -0.16 -0.04 2.34 2.18 2oh6A1 THR 64 H 0.03 0.11 0.14 -0.55 8.28 8.02 2oh6A1 THR 64 HA 0.08 0.13 0.55 -0.75 4.39 4.40 2oh6A1 THR 64 HB 0.10 0.01 0.16 -0.04 4.32 4.55 2oh6A1 THR 64 HG23 0.03 0.04 0.05 -0.04 1.22 1.30 2oh6A1 PHE 65 H 0.26 0.20 0.17 -0.55 8.34 8.42 2oh6A1 PHE 65 HA 0.08 0.36 0.61 -0.75 4.62 4.92 2oh6A1 PHE 65 HB2 0.11 0.06 -0.16 -0.04 3.15 3.12 2oh6A1 PHE 65 HB3 0.19 0.02 0.15 -0.04 3.06 3.38 2oh6A1 PHE 65 HD2 0.13 0.03 -0.06 -0.04 7.28 7.33 2oh6A1 PHE 65 HE2 -0.06 -0.00 -0.04 -0.04 7.38 7.24 2oh6A1 PHE 65 HZ -0.07 -0.03 -0.07 -0.04 7.32 7.11 2oh6A1 LYS 66 H 0.23 0.08 -0.08 -0.55 8.42 8.10 2oh6A1 LYS 66 HA -0.17 0.09 0.36 -0.75 4.32 3.84 2oh6A1 LYS 66 HB2 0.21 0.01 0.09 -0.04 1.87 2.14 2oh6A1 LYS 66 HB3 0.07 -0.04 0.03 -0.04 1.79 1.81 2oh6A1 LYS 66 HG2 -0.01 0.05 -0.15 -0.04 1.46 1.30 2oh6A1 LYS 66 HG3 0.04 -0.00 0.00 -0.04 1.46 1.47 2oh6A1 LYS 66 HD2 0.12 -0.00 -0.01 -0.04 1.69 1.76 2oh6A1 LYS 66 HD3 0.04 0.00 -0.05 -0.04 1.68 1.63 2oh6A1 LYS 66 HE2 0.08 -0.01 -0.03 -0.04 2.99 2.99 2oh6A1 LYS 66 HE3 0.06 -0.00 -0.02 -0.04 2.99 2.98 2oh6A1 ALA 67 H 0.00 0.01 -0.42 -0.55 8.40 7.45 2oh6A1 ALA 67 HA -0.04 0.09 0.30 -0.75 4.34 3.94 2oh6A1 ALA 67 HB3 -0.01 -0.01 0.06 -0.04 1.41 1.42 2oh6A1 LEU 68 H -0.06 0.33 -0.33 -0.55 8.37 7.76 2oh6A1 LEU 68 HA 0.02 0.06 0.64 -0.75 4.35 4.31 2oh6A1 LEU 68 HB2 -0.04 0.14 0.10 -0.04 1.64 1.80 2oh6A1 LEU 68 HB3 0.02 -0.07 0.06 -0.04 1.64 1.61 2oh6A1 LEU 68 HG 0.03 0.03 -0.12 -0.04 1.64 1.54 2oh6A1 LEU 68 HD13 0.09 0.01 -0.14 -0.04 0.93 0.85 2oh6A1 LEU 68 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.76 2oh6A1 LYS 69 H -0.15 0.25 -0.43 -0.55 8.42 7.53 2oh6A1 LYS 69 HA -0.05 0.14 0.38 -0.75 4.32 4.04 2oh6A1 LYS 69 HB2 -0.16 0.14 0.07 -0.04 1.87 1.89 2oh6A1 LYS 69 HB3 -0.15 -0.09 -0.07 -0.04 1.79 1.44 2oh6A1 LYS 69 HG2 -0.41 -0.06 -0.15 -0.04 1.46 0.80 2oh6A1 LYS 69 HG3 -0.73 0.24 0.00 -0.04 1.46 0.93 2oh6A1 LYS 69 HD2 -0.51 -0.06 -0.11 -0.04 1.69 0.97 2oh6A1 LYS 69 HD3 -0.22 0.00 -0.00 -0.04 1.68 1.42 2oh6A1 LYS 69 HE2 -0.11 0.04 -0.08 -0.04 2.99 2.79 2oh6A1 LYS 69 HE3 -0.10 -0.08 -0.10 -0.04 2.99 2.68 2oh6A1 GLU 70 H -0.36 0.64 0.28 -0.55 8.60 8.62 2oh6A1 GLU 70 HA -0.59 0.02 0.38 -0.75 4.29 3.35 2oh6A1 GLU 70 HB2 -1.63 0.07 0.10 -0.04 2.09 0.60 2oh6A1 GLU 70 HB3 -0.45 -0.13 0.10 -0.04 1.99 1.47 2oh6A1 GLU 70 HG2 -0.29 -0.07 -0.39 -0.04 2.34 1.55 2oh6A1 GLU 70 HG3 -0.50 0.02 -0.11 -0.04 2.34 1.71 2oh6A1 TYR 71 H -0.04 0.22 0.11 -0.55 8.29 8.02 2oh6A1 TYR 71 HA -0.09 0.08 0.69 -0.75 4.56 4.48 2oh6A1 TYR 71 HB2 -0.07 0.15 -0.10 -0.04 3.06 3.01 2oh6A1 TYR 71 HB3 -0.06 -0.00 0.08 -0.04 2.98 2.96 2oh6A1 TYR 71 HD2 -0.04 0.02 -0.08 -0.04 7.15 7.01 2oh6A1 TYR 71 HE2 -0.02 -0.06 -0.06 -0.04 6.85 6.67 2oh6A1 ARG 72 H -0.44 0.18 -0.06 -0.55 8.46 7.59 2oh6A1 ARG 72 HA -0.17 0.12 0.72 -0.75 4.34 4.26 2oh6A1 ARG 72 HB2 -0.23 0.03 0.02 -0.04 1.90 1.69 2oh6A1 ARG 72 HB3 -0.14 0.05 -0.03 -0.04 1.80 1.64 2oh6A1 ARG 72 HG2 -0.12 0.03 -0.15 -0.04 1.67 1.39 2oh6A1 ARG 72 HG3 -0.17 -0.03 -0.14 -0.04 1.67 1.29 2oh6A1 ARG 72 HD2 -0.12 0.01 -0.04 -0.04 3.22 3.03 2oh6A1 ARG 72 HD3 -0.11 -0.03 -0.07 -0.04 3.22 2.97 2oh6A1 LYS 73 H -0.15 0.22 0.09 -0.55 8.42 8.03 2oh6A1 LYS 73 HA -0.17 0.01 0.43 -0.75 4.32 3.83 2oh6A1 LYS 73 HB2 -0.02 0.00 0.17 -0.04 1.87 1.98 2oh6A1 LYS 73 HB3 -0.01 0.03 -0.02 -0.04 1.79 1.75 2oh6A1 LYS 73 HG2 0.11 -0.01 0.04 -0.04 1.46 1.57 2oh6A1 LYS 73 HG3 0.16 0.02 0.02 -0.04 1.46 1.62 2oh6A1 LYS 73 HD2 0.02 0.04 0.04 -0.04 1.69 1.74 2oh6A1 LYS 73 HD3 -0.02 -0.01 0.08 -0.04 1.68 1.69 2oh6A1 LYS 73 HE2 -0.03 0.03 0.04 -0.04 2.99 2.99 2oh6A1 LYS 73 HE3 -0.02 -0.01 0.03 -0.04 2.99 2.94 2oh6A1 GLY 74 H -0.07 0.13 0.20 -0.55 8.43 8.14 2oh6A1 GLY 74 HA2 -0.05 -0.02 0.34 -0.51 4.01 3.78 2oh6A1 GLY 74 HA3 -0.04 0.07 0.32 -0.51 4.01 3.85 2oh6A1 GLN 75 H -0.18 0.38 -0.39 -0.55 8.47 7.74 2oh6A1 GLN 75 HA -0.15 0.16 0.86 -0.75 4.36 4.47 2oh6A1 GLN 75 HB2 -0.13 0.04 -0.12 -0.04 2.15 1.90 2oh6A1 GLN 75 HB3 -0.08 -0.08 0.12 -0.04 2.02 1.93 2oh6A1 GLN 75 HG2 -0.06 0.00 -0.06 -0.04 2.40 2.24 2oh6A1 GLN 75 HG3 -0.05 0.11 -0.38 -0.04 2.39 2.03 2oh6A1 GLN 75 HE21 -0.15 -0.02 -0.02 -0.04 6.97 6.75 2oh6A1 GLN 75 HE22 -0.08 -0.02 0.00 -0.04 7.69 7.55 2oh6A1 HIS 76 H -0.05 0.12 0.14 -0.55 8.41 8.08 2oh6A1 HIS 76 HA -0.03 0.06 0.65 -0.75 4.63 4.56 2oh6A1 HIS 76 HB2 -0.03 0.05 0.16 -0.04 3.26 3.41 2oh6A1 HIS 76 HB3 -0.02 -0.13 0.08 -0.04 3.20 3.09 2oh6A1 HIS 76 HD2 -0.02 0.04 0.05 -0.04 6.97 6.99 2oh6A1 HIS 76 HE1 0.00 0.02 0.01 -0.04 7.75 7.74 2oh6A1 ASN 77 H 0.11 0.03 0.18 -0.55 8.53 8.30 2oh6A1 ASN 77 HA -0.02 0.23 0.65 -0.75 4.76 4.87 2oh6A1 ASN 77 HB2 0.08 -0.04 0.04 -0.04 2.88 2.93 2oh6A1 ASN 77 HB3 0.04 0.07 0.14 -0.04 2.79 3.00 2oh6A1 ASN 77 HD21 -0.73 0.42 -0.07 -0.04 7.03 6.61 2oh6A1 ASN 77 HD22 -0.15 -0.05 -0.06 -0.04 7.74 7.44 2oh6A1 ASP 78 H 0.05 0.10 0.04 -0.55 8.40 8.05 2oh6A1 ASP 78 HA 0.03 0.02 0.36 -0.75 4.63 4.28 2oh6A1 ASP 78 HB2 0.01 0.20 -0.21 -0.04 2.71 2.66 2oh6A1 ASP 78 HB3 0.02 -0.11 0.22 -0.04 2.70 2.78 2oh6A1 SER 79 H 0.09 0.07 -0.10 -0.55 8.46 7.98 2oh6A1 SER 79 HA 0.08 0.21 0.05 -0.75 4.49 4.07 2oh6A1 SER 79 HB2 0.10 0.10 0.03 -0.04 3.95 4.13 2oh6A1 SER 79 HB3 0.12 0.01 0.04 -0.04 3.93 4.06 2oh6A1 TYR 80 H 0.18 0.04 -0.13 -0.55 8.29 7.83 2oh6A1 TYR 80 HA 0.07 0.15 0.50 -0.75 4.56 4.52 2oh6A1 TYR 80 HB2 0.02 0.04 0.09 -0.04 3.06 3.16 2oh6A1 TYR 80 HB3 0.03 -0.04 0.08 -0.04 2.98 3.01 2oh6A1 TYR 80 HD2 0.00 -0.00 -0.06 -0.04 7.15 7.05 2oh6A1 TYR 80 HE2 -0.02 0.05 -0.02 -0.04 6.85 6.82 2oh6A1 ASP 81 H 0.10 0.05 -0.12 -0.55 8.40 7.88 2oh6A1 ASP 81 HA -0.08 0.07 0.44 -0.75 4.63 4.30 2oh6A1 ASP 81 HB2 0.06 -0.02 0.14 -0.04 2.71 2.84 2oh6A1 ASP 81 HB3 0.01 0.14 0.10 -0.04 2.70 2.91 2oh6A1 GLU 82 H -0.01 0.50 -0.29 -0.55 8.60 8.25 2oh6A1 GLU 82 HA -0.05 -0.01 0.48 -0.75 4.29 3.95 2oh6A1 GLU 82 HB2 0.01 0.08 0.03 -0.04 2.09 2.17 2oh6A1 GLU 82 HB3 -0.02 0.00 0.00 -0.04 1.99 1.93 2oh6A1 GLU 82 HG2 -0.01 0.07 0.02 -0.04 2.34 2.38 2oh6A1 GLU 82 HG3 -0.01 0.12 -0.00 -0.04 2.34 2.40 2oh6A1 TYR 83 H 0.01 0.45 -0.07 -0.55 8.29 8.12 2oh6A1 TYR 83 HA -0.07 0.05 0.62 -0.75 4.56 4.40 2oh6A1 TYR 83 HB2 -0.08 0.01 0.17 -0.04 3.06 3.12 2oh6A1 TYR 83 HB3 -0.37 0.19 0.25 -0.04 2.98 3.00 2oh6A1 TYR 83 HD2 -0.19 0.00 -0.04 -0.04 7.15 6.88 2oh6A1 TYR 83 HE2 0.03 0.01 -0.03 -0.04 6.85 6.82 2oh6A1 GLU 84 H -0.25 0.43 -0.16 -0.55 8.60 8.08 2oh6A1 GLU 84 HA -0.30 0.06 0.43 -0.75 4.29 3.73 2oh6A1 GLU 84 HB2 -0.14 0.14 0.06 -0.04 2.09 2.11 2oh6A1 GLU 84 HB3 -0.09 -0.25 -0.26 -0.04 1.99 1.35 2oh6A1 GLU 84 HG2 -0.54 0.11 0.01 -0.04 2.34 1.88 2oh6A1 GLU 84 HG3 -0.06 0.12 -0.08 -0.04 2.34 2.28 2oh6A1 VAL 85 H -0.14 0.56 -0.05 -0.55 8.24 8.06 2oh6A1 VAL 85 HA -0.12 0.01 0.43 -0.75 4.13 3.69 2oh6A1 VAL 85 HB -0.08 0.11 0.19 -0.04 2.12 2.30 2oh6A1 VAL 85 HG13 -0.05 -0.00 -0.17 -0.04 0.97 0.71 2oh6A1 VAL 85 HG23 -0.06 0.03 -0.02 -0.04 0.95 0.86 2oh6A1 ASN 86 H -0.22 0.53 -0.26 -0.55 8.53 8.04 2oh6A1 ASN 86 HA -0.36 0.00 0.35 -0.75 4.76 4.01 2oh6A1 ASN 86 HB2 -0.34 0.16 0.17 -0.04 2.88 2.83 2oh6A1 ASN 86 HB3 -0.66 -0.05 0.03 -0.04 2.79 2.07 2oh6A1 ASN 86 HD21 0.03 -0.02 -0.02 -0.04 7.03 6.98 2oh6A1 ASN 86 HD22 0.04 -0.03 0.04 -0.04 7.74 7.76 2oh6A1 GLN 87 H -0.43 0.39 -0.24 -0.55 8.47 7.64 2oh6A1 GLN 87 HA -0.17 0.02 0.33 -0.75 4.36 3.78 2oh6A1 GLN 87 HB2 -0.20 -0.02 -0.02 -0.04 2.15 1.87 2oh6A1 GLN 87 HB3 -0.10 0.14 -0.08 -0.04 2.02 1.94 2oh6A1 GLN 87 HG2 -0.74 0.12 0.06 -0.04 2.40 1.80 2oh6A1 GLN 87 HG3 -0.27 -0.02 0.02 -0.04 2.39 2.08 2oh6A1 GLN 87 HE21 0.07 -0.03 -0.02 -0.04 6.97 6.95 2oh6A1 GLN 87 HE22 -0.02 0.05 0.02 -0.04 7.69 7.70 2oh6A1 SER 88 H -0.20 0.39 -0.29 -0.55 8.46 7.82 2oh6A1 SER 88 HA -0.07 -0.01 0.64 -0.75 4.49 4.30 2oh6A1 SER 88 HB2 -0.12 0.11 0.15 -0.04 3.95 4.04 2oh6A1 SER 88 HB3 -0.12 0.04 0.03 -0.04 3.93 3.84 2oh6A1 ILE 89 H -0.29 0.39 -0.14 -0.55 8.25 7.65 2oh6A1 ILE 89 HA -0.20 0.09 0.66 -0.75 4.18 3.97 2oh6A1 ILE 89 HB -0.58 0.03 0.11 -0.04 1.89 1.40 2oh6A1 ILE 89 HG12 -0.16 0.15 -0.05 -0.04 1.49 1.38 2oh6A1 ILE 89 HG13 -0.11 -0.04 -0.03 -0.04 1.21 0.98 2oh6A1 ILE 89 HG23 -0.67 -0.02 -0.08 -0.04 0.93 0.13 2oh6A1 ILE 89 HD13 -0.14 -0.01 -0.12 -0.04 0.88 0.57 2oh6A1 TYR 90 H -0.38 0.65 -0.03 -0.55 8.29 7.97 2oh6A1 TYR 90 HA -0.12 -0.09 0.35 -0.75 4.56 3.96 2oh6A1 TYR 90 HB2 -0.04 0.10 0.08 -0.04 3.06 3.15 2oh6A1 TYR 90 HB3 -0.03 -0.07 0.02 -0.04 2.98 2.86 2oh6A1 TYR 90 HD2 -0.12 -0.05 -0.17 -0.04 7.15 6.76 2oh6A1 TYR 90 HE2 0.00 -0.03 -0.03 -0.04 6.85 6.75 2oh6A1 TYR 91 H 0.07 0.35 -0.39 -0.55 8.29 7.77 2oh6A1 TYR 91 HA -0.02 0.11 0.55 -0.75 4.56 4.45 2oh6A1 TYR 91 HB2 0.01 0.00 -0.17 -0.04 3.06 2.87 2oh6A1 TYR 91 HB3 -0.00 -0.01 -0.02 -0.04 2.98 2.91 2oh6A1 TYR 91 HD2 -0.01 -0.01 -0.12 -0.04 7.15 6.97 2oh6A1 TYR 91 HE2 0.00 -0.03 -0.02 -0.04 6.85 6.76 2oh6A1 PRO 92 HA -0.17 0.09 0.46 -0.51 4.44 4.31 2oh6A1 PRO 92 HB2 -0.25 0.01 0.03 -0.04 2.28 2.02 2oh6A1 PRO 92 HB3 -0.20 0.01 0.13 -0.04 2.02 1.92 2oh6A1 PRO 92 HG2 -0.71 0.01 0.11 -0.04 2.03 1.40 2oh6A1 PRO 92 HG3 -0.31 0.02 0.10 -0.04 2.03 1.80 2oh6A1 PRO 92 HD2 -1.07 0.08 0.20 -0.04 3.68 2.85 2oh6A1 PRO 92 HD3 -0.30 0.16 0.12 -0.04 3.65 3.60 2oh6A1 ASN 93 H -0.08 0.12 0.29 -0.55 8.53 8.32 2oh6A1 ASN 93 HA -0.02 -0.03 0.41 -0.75 4.76 4.37 2oh6A1 ASN 93 HB2 0.02 0.21 0.15 -0.04 2.88 3.22 2oh6A1 ASN 93 HB3 0.02 -0.03 0.21 -0.04 2.79 2.95 2oh6A1 ASN 93 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.96 2oh6A1 ASN 93 HD22 -0.02 0.02 0.08 -0.04 7.74 7.78 2oh6A1 GLY 94 H 0.01 0.28 0.02 -0.55 8.43 8.19 2oh6A1 GLY 94 HA2 0.13 0.10 0.49 -0.51 4.01 4.21 2oh6A1 GLY 94 HA3 0.12 0.17 0.18 -0.51 4.01 3.98 2oh6A1 GLY 95 H -0.02 0.04 -0.17 -0.55 8.43 7.73 2oh6A1 GLY 95 HA2 -0.02 0.22 0.88 -0.51 4.01 4.57 2oh6A1 GLY 95 HA3 -0.08 0.10 0.28 -0.51 4.01 3.79 2oh6A1 ASP 96 H -0.02 0.11 0.04 -0.55 8.40 7.98 2oh6A1 ASP 96 HA 0.02 0.25 0.82 -0.75 4.63 4.97 2oh6A1 ASP 96 HB2 0.06 0.03 -0.08 -0.04 2.71 2.67 2oh6A1 ASP 96 HB3 0.08 -0.05 0.16 -0.04 2.70 2.86 2oh6A1 ALA 97 H -0.02 0.17 -0.18 -0.55 8.40 7.82 2oh6A1 ALA 97 HA -0.01 0.08 0.60 -0.75 4.34 4.26 2oh6A1 ALA 97 HB3 -0.04 0.01 -0.04 -0.04 1.41 1.29 2oh6A1 ARG 98 H 0.02 0.09 0.12 -0.55 8.46 8.13 2oh6A1 ARG 98 HA 0.03 0.22 0.63 -0.75 4.34 4.47 2oh6A1 ARG 98 HB2 0.03 -0.06 0.12 -0.04 1.90 1.95 2oh6A1 ARG 98 HB3 0.03 0.02 0.20 -0.04 1.80 2.01 2oh6A1 ARG 98 HG2 0.04 0.08 -0.04 -0.04 1.67 1.71 2oh6A1 ARG 98 HG3 0.05 0.00 -0.04 -0.04 1.67 1.65 2oh6A1 ARG 98 HD2 0.05 -0.08 0.04 -0.04 3.22 3.19 2oh6A1 ARG 98 HD3 0.03 0.01 0.04 -0.04 3.22 3.26 2oh6A1 LYS 99 H 0.03 0.29 -0.44 -0.55 8.42 7.74 2oh6A1 LYS 99 HA 0.08 0.12 0.61 -0.75 4.32 4.38 2oh6A1 LYS 99 HB2 0.07 0.02 -0.03 -0.04 1.87 1.89 2oh6A1 LYS 99 HB3 0.04 0.11 -0.21 -0.04 1.79 1.69 2oh6A1 LYS 99 HG2 0.00 -0.14 -0.20 -0.04 1.46 1.09 2oh6A1 LYS 99 HG3 0.00 0.04 -0.35 -0.04 1.46 1.11 2oh6A1 LYS 99 HD2 -0.03 -0.06 -0.17 -0.04 1.69 1.40 2oh6A1 LYS 99 HD3 0.01 0.15 -0.13 -0.04 1.68 1.67 2oh6A1 LYS 99 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.88 2oh6A1 LYS 99 HE3 0.01 0.06 -0.10 -0.04 2.99 2.92 2oh6A1 PHE 100 H 0.24 0.14 0.11 -0.55 8.34 8.27 2oh6A1 PHE 100 HA 0.03 0.14 0.53 -0.75 4.62 4.56 2oh6A1 PHE 100 HB2 0.03 0.01 0.08 -0.04 3.15 3.22 2oh6A1 PHE 100 HB3 0.05 -0.03 0.13 -0.04 3.06 3.18 2oh6A1 PHE 100 HD2 0.06 -0.00 -0.12 -0.04 7.28 7.17 2oh6A1 PHE 100 HE2 0.02 0.00 -0.02 -0.04 7.38 7.34 2oh6A1 PHE 100 HZ 0.03 -0.01 -0.00 -0.04 7.32 7.29 2oh6A1 HIS 101 H 0.27 0.10 -0.03 -0.55 8.41 8.21 2oh6A1 HIS 101 HA -0.01 0.22 0.82 -0.75 4.63 4.91 2oh6A1 HIS 101 HB2 0.31 0.03 -0.15 -0.04 3.26 3.41 2oh6A1 HIS 101 HB3 0.19 -0.07 0.03 -0.04 3.20 3.31 2oh6A1 HIS 101 HD2 0.07 -0.14 -0.31 -0.04 6.97 6.55 2oh6A1 HIS 101 HE1 0.05 0.14 -0.10 -0.04 7.75 7.80 2oh6A1 SER 102 H -0.32 0.24 0.06 -0.55 8.46 7.89 2oh6A1 SER 102 HA -0.09 0.05 0.60 -0.75 4.49 4.30 2oh6A1 SER 102 HB2 -0.09 0.04 0.04 -0.04 3.95 3.90 2oh6A1 SER 102 HB3 -0.14 0.10 0.13 -0.04 3.93 3.98 2oh6A1 ASN 103 H -0.03 0.16 0.17 -0.55 8.53 8.29 2oh6A1 ASN 103 HA 0.07 0.18 0.55 -0.75 4.76 4.82 2oh6A1 ASN 103 HB2 0.00 -0.02 0.06 -0.04 2.88 2.88 2oh6A1 ASN 103 HB3 0.04 -0.04 0.09 -0.04 2.79 2.83 2oh6A1 ASN 103 HD21 0.14 0.02 -0.02 -0.04 7.03 7.14 2oh6A1 ASN 103 HD22 0.19 0.04 0.00 -0.04 7.74 7.93 2oh6A1 ALA 104 H -0.08 -0.02 -0.33 -0.55 8.40 7.43 2oh6A1 ALA 104 HA -0.20 0.08 0.64 -0.75 4.34 4.11 2oh6A1 ALA 104 HB3 -0.12 0.02 0.05 -0.04 1.41 1.32 2oh6A1 LYS 105 H -0.07 0.27 -0.34 -0.55 8.42 7.72 2oh6A1 LYS 105 HA 0.00 0.09 0.46 -0.75 4.32 4.12 2oh6A1 LYS 105 HB2 -0.04 0.05 0.08 -0.04 1.87 1.92 2oh6A1 LYS 105 HB3 0.12 0.19 0.01 -0.04 1.79 2.07 2oh6A1 LYS 105 HG2 0.15 0.02 0.00 -0.04 1.46 1.59 2oh6A1 LYS 105 HG3 -0.06 -0.20 0.04 -0.04 1.46 1.19 2oh6A1 LYS 105 HD2 0.01 -0.12 0.03 -0.04 1.69 1.57 2oh6A1 LYS 105 HD3 -0.21 -0.01 0.05 -0.04 1.68 1.46 2oh6A1 LYS 105 HE2 0.18 0.18 -0.02 -0.04 2.99 3.30 2oh6A1 LYS 105 HE3 0.30 -0.08 -0.01 -0.04 2.99 3.16 2oh6A1 PRO 106 HA 0.08 0.05 0.49 -0.51 4.44 4.55 2oh6A1 PRO 106 HB2 0.05 0.00 -0.01 -0.04 2.28 2.28 2oh6A1 PRO 106 HB3 -0.08 -0.02 0.12 -0.04 2.02 2.00 2oh6A1 PRO 106 HG2 0.06 0.00 0.03 -0.04 2.03 2.08 2oh6A1 PRO 106 HG3 0.09 0.22 0.04 -0.04 2.03 2.34 2oh6A1 PRO 106 HD2 0.07 0.05 0.17 -0.04 3.68 3.94 2oh6A1 PRO 106 HD3 0.08 0.17 0.12 -0.04 3.65 3.98 2oh6A1 ARG 107 H 0.08 0.70 0.47 -0.55 8.46 9.15 2oh6A1 ARG 107 HA 0.06 0.28 0.75 -0.75 4.34 4.68 2oh6A1 ARG 107 HB2 0.08 0.01 -0.06 -0.04 1.90 1.89 2oh6A1 ARG 107 HB3 0.03 -0.09 0.01 -0.04 1.80 1.72 2oh6A1 ARG 107 HG2 0.15 0.02 0.05 -0.04 1.67 1.85 2oh6A1 ARG 107 HG3 0.10 -0.09 -0.09 -0.04 1.67 1.55 2oh6A1 ARG 107 HD2 0.14 0.20 -0.06 -0.04 3.22 3.45 2oh6A1 ARG 107 HD3 0.16 -0.07 -0.02 -0.04 3.22 3.26 2oh6A1 ALA 108 H 0.04 0.31 0.21 -0.55 8.40 8.42 2oh6A1 ALA 108 HA -0.15 0.10 0.56 -0.75 4.34 4.09 2oh6A1 ALA 108 HB3 -0.19 0.01 -0.06 -0.04 1.41 1.13 2oh6A1 ILE 109 H -0.53 0.67 0.31 -0.55 8.25 8.15 2oh6A1 ILE 109 HA -0.01 0.36 1.05 -0.75 4.18 4.83 2oh6A1 ILE 109 HB -1.40 -0.02 0.10 -0.04 1.89 0.53 2oh6A1 ILE 109 HG12 -0.11 -0.08 -0.53 -0.04 1.49 0.73 2oh6A1 ILE 109 HG13 0.02 -0.00 -0.15 -0.04 1.21 1.04 2oh6A1 ILE 109 HG23 -0.18 -0.01 -0.22 -0.04 0.93 0.49 2oh6A1 ILE 109 HD13 -0.01 0.01 -0.03 -0.04 0.88 0.82 2oh6A1 GLN 110 H 0.29 0.54 0.33 -0.55 8.47 9.09 2oh6A1 GLN 110 HA 0.12 0.28 1.01 -0.75 4.36 5.01 2oh6A1 GLN 110 HB2 0.40 -0.04 -0.00 -0.04 2.15 2.47 2oh6A1 GLN 110 HB3 0.43 -0.07 0.08 -0.04 2.02 2.42 2oh6A1 GLN 110 HG2 0.19 0.03 -0.30 -0.04 2.40 2.29 2oh6A1 GLN 110 HG3 0.13 0.03 -0.11 -0.04 2.39 2.40 2oh6A1 GLN 110 HE21 -0.75 0.28 0.04 -0.04 6.97 6.51 2oh6A1 GLN 110 HE22 -0.04 -0.07 -0.05 -0.04 7.69 7.49 2oh6A1 ILE 111 H 0.11 0.80 0.35 -0.55 8.25 8.96 2oh6A1 ILE 111 HA 0.19 0.32 1.12 -0.75 4.18 5.05 2oh6A1 ILE 111 HB 0.32 -0.06 0.17 -0.04 1.89 2.28 2oh6A1 ILE 111 HG12 0.15 0.03 -0.04 -0.04 1.49 1.58 2oh6A1 ILE 111 HG13 0.08 -0.06 -0.28 -0.04 1.21 0.91 2oh6A1 ILE 111 HG23 0.28 -0.00 -0.14 -0.04 0.93 1.03 2oh6A1 ILE 111 HD13 0.37 -0.01 -0.10 -0.04 0.88 1.10 2oh6A1 ILE 112 H 0.28 0.66 0.35 -0.55 8.25 9.00 2oh6A1 ILE 112 HA 0.42 0.40 1.21 -0.75 4.18 5.46 2oh6A1 ILE 112 HB 0.45 -0.05 0.03 -0.04 1.89 2.28 2oh6A1 ILE 112 HG12 0.20 0.05 -0.17 -0.04 1.49 1.52 2oh6A1 ILE 112 HG13 0.36 -0.08 -0.41 -0.04 1.21 1.03 2oh6A1 ILE 112 HG23 0.21 0.04 -0.21 -0.04 0.93 0.93 2oh6A1 ILE 112 HD13 0.03 -0.01 -0.16 -0.04 0.88 0.70 2oh6A1 PHE 113 H 0.61 0.51 0.32 -0.55 8.34 9.23 2oh6A1 PHE 113 HA 0.30 0.28 1.16 -0.75 4.62 5.61 2oh6A1 PHE 113 HB2 0.21 -0.06 0.08 -0.04 3.15 3.34 2oh6A1 PHE 113 HB3 0.14 0.10 0.02 -0.04 3.06 3.27 2oh6A1 PHE 113 HD2 0.06 0.03 -0.15 -0.04 7.28 7.19 2oh6A1 PHE 113 HE2 0.03 -0.00 -0.20 -0.04 7.38 7.17 2oh6A1 PHE 113 HZ 0.00 -0.04 -0.39 -0.04 7.32 6.85 2oh6A1 SER 114 H 0.36 0.56 0.28 -0.55 8.46 9.11 2oh6A1 SER 114 HA 0.36 0.20 0.57 -0.75 4.49 4.87 2oh6A1 SER 114 HB2 0.19 0.12 0.16 -0.04 3.95 4.37 2oh6A1 SER 114 HB3 0.25 0.03 0.16 -0.04 3.93 4.33 2oh6A1 PRO 115 HA 0.22 0.08 0.40 -0.51 4.44 4.63 2oh6A1 PRO 115 HB2 0.02 0.03 0.04 -0.04 2.28 2.32 2oh6A1 PRO 115 HB3 0.01 -0.03 -0.22 -0.04 2.02 1.74 2oh6A1 PRO 115 HG2 -0.04 0.02 0.03 -0.04 2.03 2.00 2oh6A1 PRO 115 HG3 0.11 0.10 0.04 -0.04 2.03 2.23 2oh6A1 PRO 115 HD2 0.12 0.05 0.22 -0.04 3.68 4.03 2oh6A1 PRO 115 HD3 0.14 0.41 0.23 -0.04 3.65 4.39 2oh6A1 SER 116 H 0.00 0.02 -0.47 -0.55 8.46 7.47 2oh6A1 SER 116 HA -0.22 0.14 0.62 -0.75 4.49 4.28 2oh6A1 SER 116 HB2 -0.67 0.10 0.14 -0.04 3.95 3.48 2oh6A1 SER 116 HB3 -0.18 -0.03 -0.13 -0.04 3.93 3.55 2oh6A1 VAL 117 H 0.04 0.34 -0.38 -0.55 8.24 7.69 2oh6A1 VAL 117 HA -0.16 0.11 0.46 -0.75 4.13 3.78 2oh6A1 VAL 117 HB 0.03 0.00 -0.04 -0.04 2.12 2.07 2oh6A1 VAL 117 HG13 -0.24 -0.01 -0.30 -0.04 0.97 0.37 2oh6A1 VAL 117 HG23 -0.54 0.01 -0.18 -0.04 0.95 0.20 2oh6A1 ASN 118 H -0.19 0.67 0.20 -0.55 8.53 8.65 2oh6A1 ASN 118 HA -0.17 0.18 0.86 -0.75 4.76 4.87 2oh6A1 ASN 118 HB2 -0.09 0.04 0.07 -0.04 2.88 2.85 2oh6A1 ASN 118 HB3 -0.14 0.04 0.12 -0.04 2.79 2.77 2oh6A1 ASN 118 HD21 -0.06 0.01 -0.00 -0.04 7.03 6.94 2oh6A1 ASN 118 HD22 -0.05 0.01 0.01 -0.04 7.74 7.67 2oh6A1 VAL 119 H -0.33 0.27 0.03 -0.55 8.24 7.65 2oh6A1 VAL 119 HA -0.56 0.08 0.21 -0.75 4.13 3.10 2oh6A1 VAL 119 HB -0.79 0.08 0.04 -0.04 2.12 1.41 2oh6A1 VAL 119 HG13 -0.18 0.00 -0.06 -0.04 0.97 0.69 2oh6A1 VAL 119 HG23 -0.34 -0.01 0.00 -0.04 0.95 0.55 2oh6A1 ARG 120 H -0.18 0.07 -0.28 -0.55 8.46 7.52 2oh6A1 ARG 120 HA -0.12 0.06 0.46 -0.75 4.34 3.98 2oh6A1 ARG 120 HB2 -0.09 0.01 0.01 -0.04 1.90 1.79 2oh6A1 ARG 120 HB3 -0.07 0.04 0.09 -0.04 1.80 1.82 2oh6A1 ARG 120 HG2 -0.06 0.01 -0.03 -0.04 1.67 1.54 2oh6A1 ARG 120 HG3 -0.09 -0.05 -0.00 -0.04 1.67 1.49 2oh6A1 ARG 120 HD2 -0.03 0.01 0.00 -0.04 3.22 3.17 2oh6A1 ARG 120 HD3 -0.03 0.01 -0.01 -0.04 3.22 3.15 2oh6A1 THR 121 H -0.23 0.48 -0.32 -0.55 8.28 7.67 2oh6A1 THR 121 HA -0.19 0.16 0.74 -0.75 4.39 4.34 2oh6A1 THR 121 HB -0.18 -0.02 0.12 -0.04 4.32 4.20 2oh6A1 THR 121 HG23 -0.12 -0.01 -0.04 -0.04 1.22 1.00 2oh6A1 ILE 122 H -0.32 0.26 -0.18 -0.55 8.25 7.45 2oh6A1 ILE 122 HA -0.35 0.28 0.74 -0.75 4.18 4.09 2oh6A1 ILE 122 HB -0.40 -0.04 0.12 -0.04 1.89 1.54 2oh6A1 ILE 122 HG12 -1.44 0.01 -0.04 -0.04 1.49 -0.02 2oh6A1 ILE 122 HG13 -0.71 0.00 0.03 -0.04 1.21 0.50 2oh6A1 ILE 122 HG23 -0.14 -0.02 -0.18 -0.04 0.93 0.54 2oh6A1 ILE 122 HD13 -1.10 -0.00 -0.05 -0.04 0.88 -0.32 2oh6A1 LYS 123 H -0.08 0.70 0.48 -0.55 8.42 8.96 2oh6A1 LYS 123 HA 0.01 0.16 0.88 -0.75 4.32 4.62 2oh6A1 LYS 123 HB2 -0.28 -0.02 0.02 -0.04 1.87 1.55 2oh6A1 LYS 123 HB3 -0.25 -0.03 -0.12 -0.04 1.79 1.35 2oh6A1 LYS 123 HG2 -0.94 -0.06 -0.19 -0.04 1.46 0.23 2oh6A1 LYS 123 HG3 -0.50 0.15 -0.55 -0.04 1.46 0.52 2oh6A1 LYS 123 HD2 -0.70 0.00 -0.13 -0.04 1.69 0.83 2oh6A1 LYS 123 HD3 -1.99 -0.04 -0.16 -0.04 1.68 -0.56 2oh6A1 LYS 123 HE2 -0.82 -0.04 -0.10 -0.04 2.99 1.99 2oh6A1 LYS 123 HE3 -1.98 -0.04 -0.12 -0.04 2.99 0.81 2oh6A1 MET 124 H 0.22 0.66 0.39 -0.55 8.47 9.19 2oh6A1 MET 124 HA 0.18 0.27 1.11 -0.75 4.52 5.33 2oh6A1 MET 124 HB2 0.29 -0.05 -0.04 -0.04 2.15 2.31 2oh6A1 MET 124 HB3 0.21 -0.04 0.10 -0.04 2.03 2.27 2oh6A1 MET 124 HG2 0.15 -0.05 -0.28 -0.04 2.63 2.41 2oh6A1 MET 124 HG3 0.23 0.09 0.01 -0.04 2.56 2.85 2oh6A1 MET 124 HE3 0.01 -0.01 -0.07 -0.04 2.10 1.99 2oh6A1 ALA 125 H 0.14 0.82 0.30 -0.55 8.40 9.11 2oh6A1 ALA 125 HA 0.13 0.13 0.77 -0.75 4.34 4.61 2oh6A1 ALA 125 HB3 0.11 0.03 0.11 -0.04 1.41 1.62 2oh6A1 LYS 126 H 0.08 0.23 -0.07 -0.55 8.42 8.10 2oh6A1 LYS 126 HA 0.09 0.21 0.94 -0.75 4.32 4.80 2oh6A1 LYS 126 HB2 -0.01 -0.06 0.02 -0.04 1.87 1.79 2oh6A1 LYS 126 HB3 -0.01 -0.02 0.16 -0.04 1.79 1.88 2oh6A1 LYS 126 HG2 0.00 0.01 -0.13 -0.04 1.46 1.31 2oh6A1 LYS 126 HG3 0.06 0.12 -0.00 -0.04 1.46 1.59 2oh6A1 LYS 126 HD2 -0.13 0.01 -0.09 -0.04 1.69 1.44 2oh6A1 LYS 126 HD3 -0.45 -0.05 -0.05 -0.04 1.68 1.09 2oh6A1 LYS 126 HE2 -0.28 -0.04 -0.04 -0.04 2.99 2.59 2oh6A1 LYS 126 HE3 -0.08 0.01 -0.04 -0.04 2.99 2.84 2oh6A1 GLY 127 H 0.07 0.37 -0.05 -0.55 8.43 8.28 2oh6A1 GLY 127 HA2 0.03 0.26 0.65 -0.51 4.01 4.44 2oh6A1 GLY 127 HA3 0.04 -0.13 -0.02 -0.51 4.01 3.39 2oh6A1 ASN 128 H -0.00 0.40 0.19 -0.55 8.53 8.57 2oh6A1 ASN 128 HA 0.02 0.39 0.82 -0.75 4.76 5.24 2oh6A1 ASN 128 HB2 -0.03 0.02 0.26 -0.04 2.88 3.09 2oh6A1 ASN 128 HB3 -0.03 0.07 0.18 -0.04 2.79 2.97 2oh6A1 ASN 128 HD21 -0.11 0.05 0.01 -0.04 7.03 6.95 2oh6A1 ASN 128 HD22 -0.10 0.07 0.08 -0.04 7.74 7.75 2oh6A1 ALA 129 H -0.05 0.27 0.13 -0.55 8.40 8.21 2oh6A1 ALA 129 HA 0.02 0.06 0.00 -0.75 4.34 3.66 2oh6A1 ALA 129 HB3 -0.28 0.05 -0.08 -0.04 1.41 1.06 2oh6A1 VAL 130 H -0.04 0.06 -0.29 -0.55 8.24 7.42 2oh6A1 VAL 130 HA -0.23 0.21 0.88 -0.75 4.13 4.24 2oh6A1 VAL 130 HB -0.12 0.01 0.15 -0.04 2.12 2.11 2oh6A1 VAL 130 HG13 -0.15 0.02 -0.00 -0.04 0.97 0.80 2oh6A1 VAL 130 HG23 -0.06 -0.01 -0.09 -0.04 0.95 0.75 2oh6A1 SER 131 H -0.00 0.43 -0.45 -0.55 8.46 7.89 2oh6A1 SER 131 HA 0.03 0.06 0.15 -0.75 4.49 3.96 2oh6A1 SER 131 HB2 -0.02 0.20 -0.14 -0.04 3.95 3.95 2oh6A1 SER 131 HB3 0.01 -0.00 0.06 -0.04 3.93 3.96 2oh6A1 VAL 132 H -0.01 0.02 -0.11 -0.55 8.24 7.59 2oh6A1 VAL 132 HA -0.00 0.28 0.74 -0.75 4.13 4.39 2oh6A1 VAL 132 HB -0.06 -0.05 -0.07 -0.04 2.12 1.90 2oh6A1 VAL 132 HG13 -0.03 -0.02 -0.56 -0.04 0.97 0.32 2oh6A1 VAL 132 HG23 -0.03 0.05 -0.25 -0.04 0.95 0.67 2oh6A1 PRO 133 HA 0.02 0.11 0.25 -0.51 4.44 4.32 2oh6A1 PRO 133 HB2 0.00 0.07 -0.09 -0.04 2.28 2.22 2oh6A1 PRO 133 HB3 0.02 0.06 -0.09 -0.04 2.02 1.97 2oh6A1 PRO 133 HG2 0.01 0.07 -0.08 -0.04 2.03 1.98 2oh6A1 PRO 133 HG3 0.03 0.04 -0.11 -0.04 2.03 1.95 2oh6A1 PRO 133 HD2 0.01 0.07 0.03 -0.04 3.68 3.75 2oh6A1 PRO 133 HD3 0.01 0.25 0.05 -0.04 3.65 3.92 2oh6A1 ASP 134 H -0.00 0.05 -0.50 -0.55 8.40 7.40 2oh6A1 ASP 134 HA -0.01 0.21 0.79 -0.75 4.63 4.87 2oh6A1 ASP 134 HB2 0.01 0.08 -0.28 -0.04 2.71 2.47 2oh6A1 ASP 134 HB3 0.01 0.00 0.03 -0.04 2.70 2.71 2oh6A1 GLU 135 H -0.06 0.23 -0.12 -0.55 8.60 8.10 2oh6A1 GLU 135 HA -0.19 0.03 0.37 -0.75 4.29 3.75 2oh6A1 GLU 135 HB2 0.06 0.15 0.15 -0.04 2.09 2.42 2oh6A1 GLU 135 HB3 -0.08 -0.02 0.02 -0.04 1.99 1.87 2oh6A1 GLU 135 HG2 -0.05 0.01 -0.06 -0.04 2.34 2.21 2oh6A1 GLU 135 HG3 -0.02 -0.10 -0.50 -0.04 2.34 1.69 2oh6A1 TYR 136 H 0.09 0.70 0.14 -0.55 8.29 8.66 2oh6A1 TYR 136 HA -0.00 0.15 0.66 -0.75 4.56 4.62 2oh6A1 TYR 136 HB2 -0.01 0.01 0.05 -0.04 3.06 3.07 2oh6A1 TYR 136 HB3 -0.00 -0.10 0.05 -0.04 2.98 2.89 2oh6A1 TYR 136 HD2 -0.00 -0.02 -0.03 -0.04 7.15 7.06 2oh6A1 TYR 136 HE2 0.00 0.00 -0.02 -0.04 6.85 6.80 2oh6A1 LEU 137 H 0.10 0.21 0.07 -0.55 8.37 8.20 2oh6A1 LEU 137 HA 0.03 0.08 0.38 -0.75 4.35 4.09 2oh6A1 LEU 137 HB2 0.05 -0.05 0.12 -0.04 1.64 1.73 2oh6A1 LEU 137 HB3 0.03 0.08 0.02 -0.04 1.64 1.73 2oh6A1 LEU 137 HG 0.03 -0.04 0.07 -0.04 1.64 1.65 2oh6A1 LEU 137 HD13 0.02 0.02 0.02 -0.04 0.93 0.94 2oh6A1 LEU 137 HD23 0.01 0.02 0.03 -0.04 0.89 0.91 2oh6A1 GLN 138 H 0.08 0.04 -0.20 -0.55 8.47 7.84 2oh6A1 GLN 138 HA 0.02 0.08 0.22 -0.75 4.36 3.92 2oh6A1 GLN 138 HB2 0.01 -0.03 0.02 -0.04 2.15 2.10 2oh6A1 GLN 138 HB3 -0.01 0.05 0.02 -0.04 2.02 2.03 2oh6A1 GLN 138 HG2 -0.02 0.03 0.02 -0.04 2.40 2.39 2oh6A1 GLN 138 HG3 0.01 0.02 0.03 -0.04 2.39 2.41 2oh6A1 GLN 138 HE21 0.01 0.01 0.02 -0.04 6.97 6.97 2oh6A1 GLN 138 HE22 -0.01 0.03 0.01 -0.04 7.69 7.68 2oh6A1 ARG 139 H 0.07 0.22 -0.42 -0.55 8.46 7.77 2oh6A1 ARG 139 HA 0.01 0.23 0.95 -0.75 4.34 4.77 2oh6A1 ARG 139 HB2 0.01 -0.01 0.16 -0.04 1.90 2.02 2oh6A1 ARG 139 HB3 0.02 -0.08 -0.06 -0.04 1.80 1.64 2oh6A1 ARG 139 HG2 0.10 0.11 0.04 -0.04 1.67 1.88 2oh6A1 ARG 139 HG3 0.05 0.03 0.03 -0.04 1.67 1.73 2oh6A1 ARG 139 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 2oh6A1 ARG 139 HD3 0.07 -0.08 -0.01 -0.04 3.22 3.15 2oh6A1 SER 140 H 0.03 0.52 -0.22 -0.55 8.46 8.24 2oh6A1 SER 140 HA 0.01 0.07 0.63 -0.75 4.49 4.45 2oh6A1 SER 140 HB2 0.01 0.08 0.14 -0.04 3.95 4.14 2oh6A1 SER 140 HB3 -0.00 0.05 -0.19 -0.04 3.93 3.75 2oh6A1 HIS 141 H 0.03 0.16 0.16 -0.55 8.41 8.21 2oh6A1 HIS 141 HA -0.20 0.14 0.77 -0.75 4.63 4.59 2oh6A1 HIS 141 HB2 -0.21 -0.01 0.17 -0.04 3.26 3.17 2oh6A1 HIS 141 HB3 -0.26 0.04 0.14 -0.04 3.20 3.08 2oh6A1 HIS 141 HD2 -0.31 0.02 0.10 -0.04 6.97 6.73 2oh6A1 HIS 141 HE1 -2.42 -0.05 -0.04 -0.04 7.75 5.19 2oh6A1 PRO 142 HA -0.07 0.07 0.25 -0.51 4.44 4.18 2oh6A1 PRO 142 HB2 0.07 0.01 -0.04 -0.04 2.28 2.27 2oh6A1 PRO 142 HB3 0.02 0.00 0.07 -0.04 2.02 2.07 2oh6A1 PRO 142 HG2 -0.06 0.00 0.04 -0.04 2.03 1.97 2oh6A1 PRO 142 HG3 -0.06 0.09 0.04 -0.04 2.03 2.06 2oh6A1 PRO 142 HD2 -0.94 0.07 0.13 -0.04 3.68 2.90 2oh6A1 PRO 142 HD3 -0.17 0.18 0.26 -0.04 3.65 3.88 2oh6A1 TRP 143 H -0.80 0.20 -0.53 -0.55 7.97 6.30 2oh6A1 TRP 143 HA -0.02 0.16 0.48 -0.75 4.62 4.48 2oh6A1 TRP 143 HB2 -0.01 -0.04 -0.09 -0.04 3.23 3.05 2oh6A1 TRP 143 HB3 -0.05 0.12 -0.23 -0.04 3.23 3.03 2oh6A1 TRP 143 HD1 -0.14 0.04 -0.33 -0.04 7.22 6.75 2oh6A1 TRP 143 HE1 -0.09 -0.00 -0.11 -0.04 10.20 9.96 2oh6A1 TRP 143 HE3 0.05 -0.06 -0.68 -0.04 7.59 6.86 2oh6A1 TRP 143 HZ2 0.09 -0.01 -0.06 -0.04 7.44 7.42 2oh6A1 TRP 143 HZ3 0.10 -0.07 -0.07 -0.04 7.13 7.04 2oh6A1 TRP 143 HH2 0.10 -0.00 -0.05 -0.04 7.19 7.20 2oh6A1 GLU 144 H 0.34 0.71 0.37 -0.55 8.60 9.48 2oh6A1 GLU 144 HA 0.28 0.13 0.73 -0.75 4.29 4.68 2oh6A1 GLU 144 HB2 0.18 -0.03 0.09 -0.04 2.09 2.29 2oh6A1 GLU 144 HB3 0.15 0.02 -0.01 -0.04 1.99 2.11 2oh6A1 GLU 144 HG2 0.10 -0.00 -0.20 -0.04 2.34 2.20 2oh6A1 GLU 144 HG3 0.07 0.00 -0.01 -0.04 2.34 2.36 2oh6A1 ALA 145 H 0.40 0.18 0.10 -0.55 8.40 8.53 2oh6A1 ALA 145 HA 0.14 0.29 0.91 -0.75 4.34 4.92 2oh6A1 ALA 145 HB3 0.21 0.02 0.15 -0.04 1.41 1.75 2oh6A1 THR 146 H 0.11 0.29 0.06 -0.55 8.28 8.19 2oh6A1 THR 146 HA 0.09 0.19 0.63 -0.75 4.39 4.54 2oh6A1 THR 146 HB 0.08 -0.02 0.07 -0.04 4.32 4.41 2oh6A1 THR 146 HG23 0.18 0.04 -0.18 -0.04 1.22 1.21 2oh6A1 GLY 147 H -0.00 0.22 -0.16 -0.55 8.43 7.95 2oh6A1 GLY 147 HA2 -0.15 0.04 0.30 -0.51 4.01 3.69 2oh6A1 GLY 147 HA3 -0.12 0.22 0.28 -0.51 4.01 3.89 2oh6A1 ILE 148 H 0.03 0.11 -0.25 -0.55 8.25 7.59 2oh6A1 ILE 148 HA 0.03 0.07 0.36 -0.75 4.18 3.89 2oh6A1 ILE 148 HB 0.02 -0.03 0.06 -0.04 1.89 1.90 2oh6A1 ILE 148 HG12 0.03 0.04 0.01 -0.04 1.49 1.53 2oh6A1 ILE 148 HG13 0.02 -0.01 0.08 -0.04 1.21 1.26 2oh6A1 ILE 148 HG23 0.03 0.01 -0.15 -0.04 0.93 0.77 2oh6A1 ILE 148 HD13 0.02 -0.01 -0.00 -0.04 0.88 0.85 2oh6A1 LYS 149 H 0.05 0.44 -0.38 -0.55 8.42 7.98 2oh6A1 LYS 149 HA -0.00 0.14 0.75 -0.75 4.32 4.45 2oh6A1 LYS 149 HB2 -0.43 0.12 0.06 -0.04 1.87 1.57 2oh6A1 LYS 149 HB3 -0.26 -0.05 0.13 -0.04 1.79 1.57 2oh6A1 LYS 149 HG2 -0.01 0.00 -0.01 -0.04 1.46 1.40 2oh6A1 LYS 149 HG3 -0.03 -0.08 -0.09 -0.04 1.46 1.22 2oh6A1 LYS 149 HD2 -0.09 -0.01 -0.00 -0.04 1.69 1.55 2oh6A1 LYS 149 HD3 -0.01 0.00 -0.00 -0.04 1.68 1.63 2oh6A1 LYS 149 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.96 2oh6A1 LYS 149 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 2oh6A1 TYR 150 H 0.27 0.44 -0.24 -0.55 8.29 8.20 2oh6A1 TYR 150 HA 0.14 0.18 0.51 -0.75 4.56 4.65 2oh6A1 TYR 150 HB2 0.03 0.16 0.12 -0.04 3.06 3.33 2oh6A1 TYR 150 HB3 0.22 -0.07 -0.14 -0.04 2.98 2.95 2oh6A1 TYR 150 HD2 0.17 0.04 -0.33 -0.04 7.15 6.99 2oh6A1 TYR 150 HE2 0.35 -0.01 -0.25 -0.04 6.85 6.90 2oh6A1 ARG 151 H 0.14 0.68 0.43 -0.55 8.46 9.16 2oh6A1 ARG 151 HA 0.13 0.10 0.75 -0.75 4.34 4.56 2oh6A1 ARG 151 HB2 0.07 -0.05 0.10 -0.04 1.90 1.97 2oh6A1 ARG 151 HB3 0.05 0.02 0.03 -0.04 1.80 1.86 2oh6A1 ARG 151 HG2 0.06 0.00 0.01 -0.04 1.67 1.70 2oh6A1 ARG 151 HG3 0.07 0.15 0.11 -0.04 1.67 1.97 2oh6A1 ARG 151 HD2 0.05 -0.01 0.03 -0.04 3.22 3.25 2oh6A1 ARG 151 HD3 0.03 -0.04 0.01 -0.04 3.22 3.18 2oh6A1 LYS 152 H 0.10 0.12 0.15 -0.55 8.42 8.24 2oh6A1 LYS 152 HA -0.03 0.21 0.74 -0.75 4.32 4.49 2oh6A1 LYS 152 HB2 0.02 -0.05 0.10 -0.04 1.87 1.90 2oh6A1 LYS 152 HB3 -0.05 0.02 -0.03 -0.04 1.79 1.69 2oh6A1 LYS 152 HG2 0.20 0.05 0.00 -0.04 1.46 1.66 2oh6A1 LYS 152 HG3 0.15 0.01 0.06 -0.04 1.46 1.65 2oh6A1 LYS 152 HD2 0.05 -0.03 0.00 -0.04 1.69 1.67 2oh6A1 LYS 152 HD3 0.06 -0.00 -0.00 -0.04 1.68 1.69 2oh6A1 LYS 152 HE2 0.17 0.01 0.00 -0.04 2.99 3.13 2oh6A1 LYS 152 HE3 0.10 0.02 0.02 -0.04 2.99 3.09 2oh6A1 ILE 153 H -0.10 0.77 0.26 -0.55 8.25 8.63 2oh6A1 ILE 153 HA -0.05 0.09 0.68 -0.75 4.18 4.16 2oh6A1 ILE 153 HB -0.04 -0.08 -0.06 -0.04 1.89 1.68 2oh6A1 ILE 153 HG12 -0.02 0.01 -0.27 -0.04 1.49 1.18 2oh6A1 ILE 153 HG13 0.03 0.05 -0.39 -0.04 1.21 0.86 2oh6A1 ILE 153 HG23 -0.03 -0.01 -0.18 -0.04 0.93 0.68 2oh6A1 ILE 153 HD13 0.02 -0.01 -0.40 -0.04 0.88 0.44 2oh6A1 LYS 154 H -0.07 0.22 0.08 -0.55 8.42 8.10 2oh6A1 LYS 154 HA -0.06 0.35 1.00 -0.75 4.32 4.86 2oh6A1 LYS 154 HB2 -0.06 0.02 -0.06 -0.04 1.87 1.73 2oh6A1 LYS 154 HB3 -0.06 -0.12 -0.25 -0.04 1.79 1.33 2oh6A1 LYS 154 HG2 -0.04 0.04 -0.55 -0.04 1.46 0.87 2oh6A1 LYS 154 HG3 -0.05 -0.04 -0.56 -0.04 1.46 0.76 2oh6A1 LYS 154 HD2 -0.02 0.04 -0.15 -0.04 1.69 1.51 2oh6A1 LYS 154 HD3 -0.03 -0.05 -0.17 -0.04 1.68 1.39 2oh6A1 LYS 154 HE2 -0.01 0.07 -0.15 -0.04 2.99 2.85 2oh6A1 LYS 154 HE3 -0.01 -0.02 -0.15 -0.04 2.99 2.78 2oh6A1 ARG 155 H -0.05 0.67 0.16 -0.55 8.46 8.69 2oh6A1 ARG 155 HA -0.08 0.13 0.67 -0.75 4.34 4.31 2oh6A1 ARG 155 HB2 -0.03 -0.02 -0.19 -0.04 1.90 1.62 2oh6A1 ARG 155 HB3 -0.04 0.03 -0.11 -0.04 1.80 1.63 2oh6A1 ARG 155 HG2 -0.04 -0.07 -0.77 -0.04 1.67 0.75 2oh6A1 ARG 155 HG3 -0.02 0.04 -0.55 -0.04 1.67 1.10 2oh6A1 ARG 155 HD2 -0.12 0.23 -0.10 -0.04 3.22 3.19 2oh6A1 ARG 155 HD3 -0.09 -0.05 -0.67 -0.04 3.22 2.36 2oh6A1 ASP 156 H -0.06 0.19 0.08 -0.55 8.40 8.07 2oh6A1 ASP 156 HA -0.04 0.05 0.30 -0.75 4.63 4.18 2oh6A1 ASP 156 HB2 -0.05 0.09 -0.14 -0.04 2.71 2.57 2oh6A1 ASP 156 HB3 -0.04 0.04 0.20 -0.04 2.70 2.86 2oh6A1 GLY 157 H -0.05 0.04 -0.41 -0.55 8.43 7.46 2oh6A1 GLY 157 HA2 -0.04 -0.01 0.21 -0.51 4.01 3.66 2oh6A1 GLY 157 HA3 -0.04 0.14 0.54 -0.51 4.01 4.15 2oh6A1 GLU 158 H -0.06 0.49 -0.39 -0.55 8.60 8.09 2oh6A1 GLU 158 HA -0.07 0.14 0.70 -0.75 4.29 4.30 2oh6A1 GLU 158 HB2 -0.15 0.02 -0.01 -0.04 2.09 1.91 2oh6A1 GLU 158 HB3 -0.09 0.13 0.07 -0.04 1.99 2.06 2oh6A1 GLU 158 HG2 -0.05 0.05 -0.53 -0.04 2.34 1.77 2oh6A1 GLU 158 HG3 -0.17 0.02 -0.00 -0.04 2.34 2.15 2oh6A1 ILE 159 H -0.01 0.16 0.15 -0.55 8.25 8.00 2oh6A1 ILE 159 HA -0.07 0.14 0.64 -0.75 4.18 4.13 2oh6A1 ILE 159 HB 0.03 0.00 0.22 -0.04 1.89 2.10 2oh6A1 ILE 159 HG12 -0.05 -0.00 0.00 -0.04 1.49 1.39 2oh6A1 ILE 159 HG13 -0.01 -0.03 0.01 -0.04 1.21 1.14 2oh6A1 ILE 159 HG23 -0.35 0.02 -0.03 -0.04 0.93 0.52 2oh6A1 ILE 159 HD13 0.08 0.00 0.04 -0.04 0.88 0.96 2oh6A1 VAL 160 H -0.05 0.71 0.40 -0.55 8.24 8.75 2oh6A1 VAL 160 HA 0.09 0.17 0.83 -0.75 4.13 4.46 2oh6A1 VAL 160 HB 0.04 -0.02 0.05 -0.04 2.12 2.15 2oh6A1 VAL 160 HG13 0.02 0.02 -0.33 -0.04 0.97 0.63 2oh6A1 VAL 160 HG23 -0.01 0.02 -0.35 -0.04 0.95 0.57 2oh6A1 GLY 161 H -0.17 0.24 0.17 -0.55 8.43 8.12 2oh6A1 GLY 161 HA2 -0.02 0.10 0.24 -0.51 4.01 3.82 2oh6A1 GLY 161 HA3 0.04 0.09 0.44 -0.51 4.01 4.07 2oh6A1 TYR 162 H 0.33 0.59 0.27 -0.55 8.29 8.92 2oh6A1 TYR 162 HA 0.20 0.30 0.98 -0.75 4.56 5.28 2oh6A1 TYR 162 HB2 0.29 -0.06 0.08 -0.04 3.06 3.33 2oh6A1 TYR 162 HB3 0.35 0.02 -0.08 -0.04 2.98 3.22 2oh6A1 TYR 162 HD2 0.12 0.11 -0.23 -0.04 7.15 7.11 2oh6A1 TYR 162 HE2 0.03 0.07 -0.05 -0.04 6.85 6.86 2oh6A1 SER 163 H 0.30 0.74 0.29 -0.55 8.46 9.24 2oh6A1 SER 163 HA 0.30 0.36 1.18 -0.75 4.49 5.58 2oh6A1 SER 163 HB2 0.07 -0.03 -0.14 -0.04 3.95 3.82 2oh6A1 SER 163 HB3 0.07 0.01 -0.01 -0.04 3.93 3.96 2oh6A1 HIS 164 H 0.02 0.70 0.34 -0.55 8.41 8.92 2oh6A1 HIS 164 HA -0.20 0.20 0.75 -0.75 4.63 4.62 2oh6A1 HIS 164 HB2 -2.03 0.00 -0.08 -0.04 3.26 1.11 2oh6A1 HIS 164 HB3 -0.45 -0.04 0.12 -0.04 3.20 2.78 2oh6A1 HIS 164 HD2 0.04 0.03 0.02 -0.04 6.97 7.01 2oh6A1 HIS 164 HE1 0.04 -0.03 -0.09 -0.04 7.75 7.63 2oh6A1 TYR 165 H 0.26 0.26 0.13 -0.55 8.29 8.39 2oh6A1 TYR 165 HA -0.24 0.32 1.17 -0.75 4.56 5.06 2oh6A1 TYR 165 HB2 -0.08 -0.04 -0.09 -0.04 3.06 2.81 2oh6A1 TYR 165 HB3 -0.03 -0.01 0.09 -0.04 2.98 2.99 2oh6A1 TYR 165 HD2 -0.10 0.01 -0.14 -0.04 7.15 6.88 2oh6A1 TYR 165 HE2 -0.32 -0.04 -0.18 -0.04 6.85 6.28 2oh6A1 PHE 166 H -0.95 0.64 0.33 -0.55 8.34 7.81 2oh6A1 PHE 166 HA -0.28 0.09 0.73 -0.75 4.62 4.41 2oh6A1 PHE 166 HB2 -0.12 0.11 0.04 -0.04 3.15 3.14 2oh6A1 PHE 166 HB3 -0.13 0.03 0.03 -0.04 3.06 2.95 2oh6A1 PHE 166 HD2 -0.45 0.03 -0.27 -0.04 7.28 6.54 2oh6A1 PHE 166 HE2 -0.14 0.00 -0.14 -0.04 7.38 7.06 2oh6A1 PHE 166 HZ -0.00 -0.01 -0.12 -0.04 7.32 7.15 2oh6A1 GLU 167 H -0.17 0.12 0.16 -0.55 8.60 8.17 2oh6A1 GLU 167 HA -0.30 0.06 0.88 -0.75 4.29 4.18 2oh6A1 GLU 167 HB2 -0.11 -0.03 0.09 -0.04 2.09 2.01 2oh6A1 GLU 167 HB3 -0.13 0.10 0.17 -0.04 1.99 2.09 2oh6A1 GLU 167 HG2 -0.19 0.01 -0.02 -0.04 2.34 2.10 2oh6A1 GLU 167 HG3 -0.25 -0.06 0.02 -0.04 2.34 2.02 2oh6A1 LEU 168 H -0.07 0.87 0.12 -0.55 8.37 8.75 2oh6A1 LEU 168 HA 0.01 0.08 0.77 -0.75 4.35 4.45 2oh6A1 LEU 168 HB2 0.04 0.11 -0.07 -0.04 1.64 1.68 2oh6A1 LEU 168 HB3 0.07 0.11 0.12 -0.04 1.64 1.90 2oh6A1 LEU 168 HG 0.04 -0.12 -0.50 -0.04 1.64 1.01 2oh6A1 LEU 168 HD13 0.12 0.00 -0.23 -0.04 0.93 0.78 2oh6A1 LEU 168 HD23 0.29 0.05 -0.21 -0.04 0.89 0.97 2oh6A1 PRO 169 HA -0.12 0.16 0.39 -0.51 4.44 4.36 2oh6A1 PRO 169 HB2 -0.26 -0.01 0.05 -0.04 2.28 2.02 2oh6A1 PRO 169 HB3 -0.17 0.01 0.08 -0.04 2.02 1.90 2oh6A1 PRO 169 HG2 -1.16 0.00 -0.09 -0.04 2.03 0.74 2oh6A1 PRO 169 HG3 -0.32 0.01 -0.01 -0.04 2.03 1.68 2oh6A1 PRO 169 HD2 -0.28 0.11 -0.04 -0.04 3.68 3.43 2oh6A1 PRO 169 HD3 -0.16 -0.01 -0.39 -0.04 3.65 3.05 2oh6A1 HIS 170 H -0.31 0.10 -0.32 -0.55 8.41 7.34 2oh6A1 HIS 170 HA -0.17 0.17 0.77 -0.75 4.63 4.65 2oh6A1 HIS 170 HB2 -0.96 -0.01 -0.08 -0.04 3.26 2.18 2oh6A1 HIS 170 HB3 -0.78 -0.07 0.03 -0.04 3.20 2.33 2oh6A1 HIS 170 HD2 -0.07 0.02 -0.06 -0.04 6.97 6.82 2oh6A1 HIS 170 HE1 0.03 0.03 -0.03 -0.04 7.75 7.74 2oh6A1 GLU 171 H -0.03 0.13 0.14 -0.55 8.60 8.30 2oh6A1 GLU 171 HA 0.07 0.14 0.25 -0.75 4.29 3.99 2oh6A1 GLU 171 HB2 0.10 -0.02 0.16 -0.04 2.09 2.29 2oh6A1 GLU 171 HB3 0.07 0.00 0.04 -0.04 1.99 2.06 2oh6A1 GLU 171 HG2 -0.09 -0.02 0.02 -0.04 2.34 2.21 2oh6A1 GLU 171 HG3 -0.09 0.04 0.02 -0.04 2.34 2.28 2oh6A1 TYR 172 H -0.35 -0.00 -0.29 -0.55 8.29 7.10 2oh6A1 TYR 172 HA -0.00 0.17 0.51 -0.75 4.56 4.48 2oh6A1 TYR 172 HB2 -0.01 0.03 0.15 -0.04 3.06 3.19 2oh6A1 TYR 172 HB3 -0.01 -0.01 0.05 -0.04 2.98 2.97 2oh6A1 TYR 172 HD2 0.01 0.02 -0.16 -0.04 7.15 6.98 2oh6A1 TYR 172 HE2 -0.07 0.02 -0.05 -0.04 6.85 6.71 2oh6A1 ASN 173 H -0.10 0.53 -0.54 -0.55 8.53 7.88 2oh6A1 ASN 173 HA 0.13 0.08 0.57 -0.75 4.76 4.79 2oh6A1 ASN 173 HB2 -0.00 0.29 0.10 -0.04 2.88 3.22 2oh6A1 ASN 173 HB3 0.08 0.01 0.11 -0.04 2.79 2.95 2oh6A1 ASN 173 HD21 0.22 -0.03 -0.06 -0.04 7.03 7.12 2oh6A1 ASN 173 HD22 0.18 0.10 -0.08 -0.04 7.74 7.89 2oh6A1 SER 174 H 0.09 0.42 -0.16 -0.55 8.46 8.27 2oh6A1 SER 174 HA 0.23 0.16 0.82 -0.75 4.49 4.95 2oh6A1 SER 174 HB2 -0.09 -0.03 0.12 -0.04 3.95 3.90 2oh6A1 SER 174 HB3 -0.36 -0.06 -0.00 -0.04 3.93 3.47 2oh6A1 ILE 175 H 0.36 0.22 0.07 -0.55 8.25 8.35 2oh6A1 ILE 175 HA 0.13 0.24 1.04 -0.75 4.18 4.83 2oh6A1 ILE 175 HB 0.15 0.25 -0.02 -0.04 1.89 2.23 2oh6A1 ILE 175 HG12 0.21 -0.00 -0.08 -0.04 1.49 1.57 2oh6A1 ILE 175 HG13 0.20 -0.04 -0.26 -0.04 1.21 1.06 2oh6A1 ILE 175 HG23 0.14 -0.02 -0.35 -0.04 0.93 0.66 2oh6A1 ILE 175 HD13 0.26 -0.01 -0.19 -0.04 0.88 0.90 2oh6A1 SER 176 H 0.12 0.40 -0.06 -0.55 8.46 8.38 2oh6A1 SER 176 HA 0.16 0.17 0.45 -0.75 4.49 4.51 2oh6A1 SER 176 HB2 0.09 0.05 0.06 -0.04 3.95 4.11 2oh6A1 SER 176 HB3 0.13 -0.16 0.10 -0.04 3.93 3.96 2oh6A1 LEU 177 H 0.10 0.52 0.20 -0.55 8.37 8.63 2oh6A1 LEU 177 HA 0.12 0.28 1.07 -0.75 4.35 5.06 2oh6A1 LEU 177 HB2 0.16 0.05 -0.42 -0.04 1.64 1.38 2oh6A1 LEU 177 HB3 0.11 -0.03 -0.06 -0.04 1.64 1.61 2oh6A1 LEU 177 HG 0.14 -0.02 -0.35 -0.04 1.64 1.37 2oh6A1 LEU 177 HD13 0.23 0.01 -0.09 -0.04 0.93 1.05 2oh6A1 LEU 177 HD23 0.17 -0.01 -0.16 -0.04 0.89 0.85 2oh6A1 ALA 178 H 0.11 0.62 0.37 -0.55 8.40 8.96 2oh6A1 ALA 178 HA 0.07 0.33 1.04 -0.75 4.34 5.02 2oh6A1 ALA 178 HB3 0.07 -0.02 0.06 -0.04 1.41 1.49 2oh6A1 VAL 179 H 0.08 0.64 0.42 -0.55 8.24 8.83 2oh6A1 VAL 179 HA 0.15 0.24 1.08 -0.75 4.13 4.86 2oh6A1 VAL 179 HB 0.20 -0.02 -0.16 -0.04 2.12 2.10 2oh6A1 VAL 179 HG13 0.07 -0.00 -0.09 -0.04 0.97 0.90 2oh6A1 VAL 179 HG23 0.40 -0.00 0.01 -0.04 0.95 1.32 2oh6A1 SER 180 H 0.14 0.71 0.46 -0.55 8.46 9.22 2oh6A1 SER 180 HA 0.13 0.22 0.98 -0.75 4.49 5.08 2oh6A1 SER 180 HB2 0.00 -0.01 -0.16 -0.04 3.95 3.75 2oh6A1 SER 180 HB3 -0.07 -0.04 -0.01 -0.04 3.93 3.77 2oh6A1 GLY 181 H 0.12 0.68 0.36 -0.55 8.43 9.05 2oh6A1 GLY 181 HA2 -0.24 0.23 0.36 -0.51 4.01 3.84 2oh6A1 GLY 181 HA3 -0.41 -0.01 0.28 -0.51 4.01 3.35 2oh6A1 VAL 182 H -0.20 0.18 0.10 -0.55 8.24 7.76 2oh6A1 VAL 182 HA -0.02 0.17 1.02 -0.75 4.13 4.55 2oh6A1 VAL 182 HB -0.10 -0.09 0.09 -0.04 2.12 1.97 2oh6A1 VAL 182 HG13 -0.01 0.10 -0.05 -0.04 0.97 0.97 2oh6A1 VAL 182 HG23 -0.10 -0.00 -0.12 -0.04 0.95 0.68 2oh6A1 HIS 183 H 0.11 0.68 0.19 -0.55 8.41 8.85 2oh6A1 HIS 183 HA -0.04 0.06 0.40 -0.75 4.63 4.30 2oh6A1 HIS 183 HB2 -0.03 -0.13 -0.09 -0.04 3.26 2.97 2oh6A1 HIS 183 HB3 0.01 -0.05 0.14 -0.04 3.20 3.25 2oh6A1 HIS 183 HD2 -0.09 -0.07 -0.51 -0.04 6.97 6.26 2oh6A1 HIS 183 HE1 -0.08 0.12 -0.32 -0.04 7.75 7.43 2oh6A1 LYS 184 H -0.32 0.75 0.29 -0.55 8.42 8.58 2oh6A1 LYS 184 HA -0.03 -0.15 0.39 -0.75 4.32 3.77 2oh6A1 LYS 184 HB2 -0.14 0.13 0.12 -0.04 1.87 1.94 2oh6A1 LYS 184 HB3 0.00 -0.09 -0.08 -0.04 1.79 1.59 2oh6A1 LYS 184 HG2 -0.06 -0.16 -0.05 -0.04 1.46 1.14 2oh6A1 LYS 184 HG3 -0.15 0.16 -0.46 -0.04 1.46 0.97 2oh6A1 LYS 184 HD2 -0.11 0.03 0.07 -0.04 1.69 1.64 2oh6A1 LYS 184 HD3 -0.02 -0.09 0.02 -0.04 1.68 1.54 2oh6A1 LYS 184 HE2 0.02 -0.15 0.04 -0.04 2.99 2.86 2oh6A1 LYS 184 HE3 0.01 0.24 0.07 -0.04 2.99 3.27 2oh6A1 ASN 185 H 0.02 0.08 0.06 -0.55 8.53 8.14 2oh6A1 ASN 185 HA 0.07 0.14 0.59 -0.75 4.76 4.80 2oh6A1 ASN 185 HB2 0.07 0.18 -0.02 -0.04 2.88 3.07 2oh6A1 ASN 185 HB3 0.03 -0.04 0.19 -0.04 2.79 2.93 2oh6A1 ASN 185 HD21 0.10 0.38 0.12 -0.04 7.03 7.59 2oh6A1 ASN 185 HD22 0.04 -0.17 0.11 -0.04 7.74 7.68 2oh6A1 PRO 186 HA 0.01 0.14 0.68 -0.51 4.44 4.76 2oh6A1 PRO 186 HB2 0.02 -0.00 0.07 -0.04 2.28 2.32 2oh6A1 PRO 186 HB3 0.02 0.02 0.10 -0.04 2.02 2.12 2oh6A1 PRO 186 HG2 0.02 -0.02 -0.00 -0.04 2.03 1.99 2oh6A1 PRO 186 HG3 0.02 0.07 0.04 -0.04 2.03 2.12 2oh6A1 PRO 186 HD2 0.04 0.14 0.13 -0.04 3.68 3.94 2oh6A1 PRO 186 HD3 0.03 0.16 -0.02 -0.04 3.65 3.78 2oh6A1 SER 187 H 0.03 0.04 -0.23 -0.55 8.46 7.76 2oh6A1 SER 187 HA 0.03 0.11 0.57 -0.75 4.49 4.44 2oh6A1 SER 187 HB2 0.05 -0.04 0.15 -0.04 3.95 4.07 2oh6A1 SER 187 HB3 0.04 0.05 0.11 -0.04 3.93 4.09 2oh6A1 SER 188 H 0.05 0.11 0.10 -0.55 8.46 8.17 2oh6A1 SER 188 HA 0.01 0.27 0.75 -0.75 4.49 4.77 2oh6A1 SER 188 HB2 -0.00 -0.01 0.17 -0.04 3.95 4.06 2oh6A1 SER 188 HB3 0.01 0.07 0.04 -0.04 3.93 4.01 2oh6A1 TYR 189 H 0.14 0.03 -0.19 -0.55 8.29 7.72 2oh6A1 TYR 189 HA -0.04 0.11 0.77 -0.75 4.56 4.65 2oh6A1 TYR 189 HB2 -0.01 -0.02 0.06 -0.04 3.06 3.05 2oh6A1 TYR 189 HB3 -0.01 0.00 0.08 -0.04 2.98 3.01 2oh6A1 TYR 189 HD2 -0.02 -0.02 -0.20 -0.04 7.15 6.87 2oh6A1 TYR 189 HE2 0.01 0.01 -0.08 -0.04 6.85 6.75 2oh6A1 ASN 190 H -0.34 0.18 0.04 -0.55 8.53 7.86 2oh6A1 ASN 190 HA -0.09 0.18 0.59 -0.75 4.76 4.68 2oh6A1 ASN 190 HB2 -0.14 0.13 0.05 -0.04 2.88 2.88 2oh6A1 ASN 190 HB3 -0.23 -0.10 0.17 -0.04 2.79 2.58 2oh6A1 ASN 190 HD21 -0.08 0.06 -0.08 -0.04 7.03 6.88 2oh6A1 ASN 190 HD22 -0.09 0.04 -0.03 -0.04 7.74 7.61 2oh6A1 VAL 191 H -0.05 0.30 0.15 -0.55 8.24 8.09 2oh6A1 VAL 191 HA 0.03 0.08 0.38 -0.75 4.13 3.86 2oh6A1 VAL 191 HB -0.47 0.04 0.05 -0.04 2.12 1.69 2oh6A1 VAL 191 HG13 0.14 0.04 0.06 -0.04 0.97 1.16 2oh6A1 VAL 191 HG23 -0.11 0.02 -0.05 -0.04 0.95 0.77 2oh6A1 GLY 192 H -0.15 0.02 -0.32 -0.55 8.43 7.43 2oh6A1 GLY 192 HA2 -0.19 0.18 0.63 -0.51 4.01 4.11 2oh6A1 GLY 192 HA3 -0.16 0.04 0.22 -0.51 4.01 3.61 2oh6A1 SER 193 H -0.21 0.30 -0.42 -0.55 8.46 7.59 2oh6A1 SER 193 HA -0.11 0.13 0.54 -0.75 4.49 4.30 2oh6A1 SER 193 HB2 -0.19 -0.03 0.17 -0.04 3.95 3.86 2oh6A1 SER 193 HB3 -0.25 0.00 0.16 -0.04 3.93 3.79 2oh6A1 ALA 194 H -0.06 0.16 0.15 -0.55 8.40 8.11 2oh6A1 ALA 194 HA 0.02 0.09 0.23 -0.75 4.34 3.92 2oh6A1 ALA 194 HB3 0.04 0.02 0.11 -0.04 1.41 1.53 2oh6A1 HIS 195 H 0.07 0.03 -0.28 -0.55 8.41 7.68 2oh6A1 HIS 195 HA 0.02 0.07 0.36 -0.75 4.63 4.32 2oh6A1 HIS 195 HB2 -0.04 -0.04 0.04 -0.04 3.26 3.19 2oh6A1 HIS 195 HB3 0.12 0.06 -0.03 -0.04 3.20 3.30 2oh6A1 HIS 195 HD2 -0.00 -0.06 -0.05 -0.04 6.97 6.81 2oh6A1 HIS 195 HE1 0.05 0.01 0.01 -0.04 7.75 7.77 2oh6A1 ASN 196 H 0.02 0.42 -0.29 -0.55 8.53 8.14 2oh6A1 ASN 196 HA 0.06 0.16 0.84 -0.75 4.76 5.06 2oh6A1 ASN 196 HB2 0.24 -0.09 -0.11 -0.04 2.88 2.89 2oh6A1 ASN 196 HB3 -0.00 0.23 0.04 -0.04 2.79 3.01 2oh6A1 ASN 196 HD21 -0.26 -0.01 0.02 -0.04 7.03 6.75 2oh6A1 ASN 196 HD22 -0.38 0.28 0.12 -0.04 7.74 7.72 2oh6A1 VAL 197 H 0.01 0.31 -0.14 -0.55 8.24 7.86 2oh6A1 VAL 197 HA -0.13 0.12 0.32 -0.75 4.13 3.69 2oh6A1 VAL 197 HB -0.03 0.23 -0.23 -0.04 2.12 2.04 2oh6A1 VAL 197 HG13 0.10 0.03 -0.06 -0.04 0.97 0.99 2oh6A1 VAL 197 HG23 -0.05 -0.03 -0.02 -0.04 0.95 0.82 2oh6A1 MET 198 H 0.08 0.20 -0.13 -0.55 8.47 8.07 2oh6A1 MET 198 HA 0.31 0.06 0.49 -0.75 4.52 4.63 2oh6A1 MET 198 HB2 0.06 0.05 0.05 -0.04 2.15 2.27 2oh6A1 MET 198 HB3 0.07 0.03 0.03 -0.04 2.03 2.12 2oh6A1 MET 198 HG2 0.07 0.02 0.03 -0.04 2.63 2.70 2oh6A1 MET 198 HG3 0.03 0.03 0.02 -0.04 2.56 2.60 2oh6A1 MET 198 HE3 -0.08 0.01 0.01 -0.04 2.10 2.00 2oh6A1 ASP 199 H 0.04 0.22 -0.39 -0.55 8.40 7.72 2oh6A1 ASP 199 HA 0.10 0.05 0.58 -0.75 4.63 4.60 2oh6A1 ASP 199 HB2 0.02 0.26 0.18 -0.04 2.71 3.12 2oh6A1 ASP 199 HB3 0.18 0.01 0.01 -0.04 2.70 2.87 2oh6A1 VAL 200 H -0.12 0.35 -0.10 -0.55 8.24 7.82 2oh6A1 VAL 200 HA 0.04 0.08 0.56 -0.75 4.13 4.06 2oh6A1 VAL 200 HB -0.32 0.08 0.13 -0.04 2.12 1.97 2oh6A1 VAL 200 HG13 -0.16 -0.01 -0.09 -0.04 0.97 0.68 2oh6A1 VAL 200 HG23 -0.65 0.03 -0.07 -0.04 0.95 0.21 2oh6A1 PHE 201 H 0.02 0.50 -0.01 -0.55 8.34 8.30 2oh6A1 PHE 201 HA 0.01 0.04 0.50 -0.75 4.62 4.41 2oh6A1 PHE 201 HB2 0.00 0.06 0.17 -0.04 3.15 3.34 2oh6A1 PHE 201 HB3 0.01 -0.02 -0.00 -0.04 3.06 3.01 2oh6A1 PHE 201 HD2 -0.01 -0.00 -0.04 -0.04 7.28 7.19 2oh6A1 PHE 201 HE2 -0.01 -0.02 -0.04 -0.04 7.38 7.27 2oh6A1 PHE 201 HZ -0.01 -0.02 -0.03 -0.04 7.32 7.23 2oh6A1 GLN 202 H 0.15 0.37 -0.34 -0.55 8.47 8.11 2oh6A1 GLN 202 HA 0.10 0.02 0.54 -0.75 4.36 4.27 2oh6A1 GLN 202 HB2 0.10 0.13 0.19 -0.04 2.15 2.53 2oh6A1 GLN 202 HB3 0.07 -0.04 0.03 -0.04 2.02 2.04 2oh6A1 GLN 202 HG2 0.07 -0.05 0.04 -0.04 2.40 2.42 2oh6A1 GLN 202 HG3 0.09 0.23 0.10 -0.04 2.39 2.77 2oh6A1 GLN 202 HE21 0.04 -0.03 -0.02 -0.04 6.97 6.92 2oh6A1 GLN 202 HE22 0.06 0.01 -0.07 -0.04 7.69 7.65 2oh6A1 SER 203 H 0.13 0.47 -0.12 -0.55 8.46 8.40 2oh6A1 SER 203 HA 0.05 -0.03 0.50 -0.75 4.49 4.26 2oh6A1 SER 203 HB2 0.06 -0.09 0.20 -0.04 3.95 4.07 2oh6A1 SER 203 HB3 0.25 0.03 0.19 -0.04 3.93 4.36 2oh6A1 CYS 204 H 0.07 0.36 -0.39 -0.55 8.50 7.99 2oh6A1 CYS 204 HA 0.03 0.03 0.47 -0.75 4.58 4.36 2oh6A1 CYS 204 HB2 0.11 0.25 0.18 -0.04 2.97 3.46 2oh6A1 CYS 204 HB3 0.06 -0.07 0.04 -0.04 2.97 2.97 2oh6A1 ASP 205 H 0.06 0.31 -0.19 -0.55 8.40 8.04 2oh6A1 ASP 205 HA 0.03 0.09 0.60 -0.75 4.63 4.60 2oh6A1 ASP 205 HB2 0.04 0.07 0.15 -0.04 2.71 2.93 2oh6A1 ASP 205 HB3 0.03 -0.06 0.10 -0.04 2.70 2.73 2oh6A1 LEU 206 H 0.04 0.31 -0.08 -0.55 8.37 8.09 2oh6A1 LEU 206 HA 0.02 0.09 0.61 -0.75 4.35 4.31 2oh6A1 LEU 206 HB2 0.02 -0.01 0.08 -0.04 1.64 1.69 2oh6A1 LEU 206 HB3 0.01 -0.06 0.11 -0.04 1.64 1.66 2oh6A1 LEU 206 HG 0.03 0.06 -0.03 -0.04 1.64 1.67 2oh6A1 LEU 206 HD13 0.03 -0.03 -0.10 -0.04 0.93 0.79 2oh6A1 LEU 206 HD23 0.02 -0.01 -0.00 -0.04 0.89 0.85 2oh6A1 ALA 207 H 0.01 0.28 -0.23 -0.55 8.40 7.91 2oh6A1 ALA 207 HA -0.02 0.09 0.65 -0.75 4.34 4.31 2oh6A1 ALA 207 HB3 -0.01 0.01 0.09 -0.04 1.41 1.46 2oh6A1 LEU 208 H -0.02 0.49 0.46 -0.55 8.37 8.76 2oh6A1 LEU 208 HA 0.02 0.11 0.85 -0.75 4.35 4.57 2oh6A1 LEU 208 HB2 0.01 -0.03 0.24 -0.04 1.64 1.82 2oh6A1 LEU 208 HB3 0.04 -0.01 0.06 -0.04 1.64 1.68 2oh6A1 LEU 208 HG 0.01 0.17 0.10 -0.04 1.64 1.88 2oh6A1 LEU 208 HD13 0.03 -0.03 0.04 -0.04 0.93 0.93 2oh6A1 LEU 208 HD23 0.03 0.00 0.06 -0.04 0.89 0.94 2oh6A1 ARG 209 H 0.04 0.18 0.26 -0.55 8.46 8.38 2oh6A1 ARG 209 HA 0.01 0.30 1.04 -0.75 4.34 4.94 2oh6A1 ARG 209 HB2 -0.00 0.04 -0.02 -0.04 1.90 1.88 2oh6A1 ARG 209 HB3 0.01 -0.04 0.10 -0.04 1.80 1.82 2oh6A1 ARG 209 HG2 -0.00 -0.04 -0.05 -0.04 1.67 1.53 2oh6A1 ARG 209 HG3 -0.02 0.08 0.11 -0.04 1.67 1.79 2oh6A1 ARG 209 HD2 -0.01 0.02 0.01 -0.04 3.22 3.20 2oh6A1 ARG 209 HD3 -0.02 -0.04 -0.02 -0.04 3.22 3.11 2oh6A1 PHE 210 H 0.10 0.59 0.39 -0.55 8.34 8.86 2oh6A1 PHE 210 HA 0.02 0.10 0.74 -0.75 4.62 4.73 2oh6A1 PHE 210 HB2 0.09 0.09 -0.11 -0.04 3.15 3.18 2oh6A1 PHE 210 HB3 0.10 -0.05 0.03 -0.04 3.06 3.10 2oh6A1 PHE 210 HD2 0.10 -0.02 -0.11 -0.04 7.28 7.21 2oh6A1 PHE 210 HE2 -0.09 -0.04 -0.09 -0.04 7.38 7.12 2oh6A1 PHE 210 HZ 0.13 -0.04 -0.10 -0.04 7.32 7.27 2oh6A1 CYS 211 H -0.55 0.25 0.23 -0.55 8.50 7.88 2oh6A1 CYS 211 HA -0.39 0.32 0.46 -0.75 4.58 4.23 2oh6A1 CYS 211 HB2 -0.16 0.07 0.24 -0.04 2.97 3.08 2oh6A1 CYS 211 HB3 -0.14 0.00 0.20 -0.04 2.97 3.00 2oh6A1 ASN 212 H -0.28 0.61 0.37 -0.55 8.53 8.69 2oh6A1 ASN 212 HA -0.30 0.06 0.62 -0.75 4.76 4.38 2oh6A1 ASN 212 HB2 -0.64 0.11 -0.20 -0.04 2.88 2.11 2oh6A1 ASN 212 HB3 -0.32 -0.05 -0.08 -0.04 2.79 2.30 2oh6A1 ASN 212 HD21 -0.79 0.00 -0.09 -0.04 7.03 6.11 2oh6A1 ASN 212 HD22 -1.61 -0.05 -0.19 -0.04 7.74 5.85 2oh6A1 ARG 213 H -0.18 0.17 0.20 -0.55 8.46 8.09 2oh6A1 ARG 213 HA 0.02 0.31 1.12 -0.75 4.34 5.04 2oh6A1 ARG 213 HB2 0.03 0.03 0.10 -0.04 1.90 2.02 2oh6A1 ARG 213 HB3 0.02 -0.05 0.17 -0.04 1.80 1.90 2oh6A1 ARG 213 HG2 0.19 0.05 -0.23 -0.04 1.67 1.63 2oh6A1 ARG 213 HG3 0.23 0.00 -0.20 -0.04 1.67 1.66 2oh6A1 ARG 213 HD2 0.03 -0.06 -0.16 -0.04 3.22 2.99 2oh6A1 ARG 213 HD3 0.01 0.04 -0.06 -0.04 3.22 3.16 2oh6A1 TYR 214 H 0.19 0.69 0.29 -0.55 8.29 8.90 2oh6A1 TYR 214 HA -0.05 0.16 0.83 -0.75 4.56 4.74 2oh6A1 TYR 214 HB2 0.02 0.05 0.08 -0.04 3.06 3.17 2oh6A1 TYR 214 HB3 0.01 -0.15 0.03 -0.04 2.98 2.83 2oh6A1 TYR 214 HD2 -0.04 0.00 -0.09 -0.04 7.15 6.99 2oh6A1 TYR 214 HE2 -0.05 0.05 -0.13 -0.04 6.85 6.68 2oh6A1 TRP 215 H 0.23 0.14 0.14 -0.55 7.97 7.93 2oh6A1 TRP 215 HA 0.06 0.11 0.35 -0.75 4.62 4.39 2oh6A1 TRP 215 HB2 0.06 -0.05 0.10 -0.04 3.23 3.30 2oh6A1 TRP 215 HB3 0.04 0.04 0.03 -0.04 3.23 3.31 2oh6A1 TRP 215 HD1 0.01 0.00 -0.24 -0.04 7.22 6.95 2oh6A1 TRP 215 HE1 -0.03 0.03 -0.02 -0.04 10.20 10.14 2oh6A1 TRP 215 HE3 0.03 -0.03 -0.00 -0.04 7.59 7.55 2oh6A1 TRP 215 HZ2 -0.02 0.03 -0.00 -0.04 7.44 7.41 2oh6A1 TRP 215 HZ3 0.02 -0.00 -0.00 -0.04 7.13 7.11 2oh6A1 TRP 215 HH2 0.00 0.01 -0.00 -0.04 7.19 7.16 2oh6A1 ALA 216 H 0.24 0.10 -0.07 -0.55 8.40 8.13 2oh6A1 ALA 216 HA 0.15 0.54 0.68 -0.75 4.34 4.96 2oh6A1 ALA 216 HB3 0.12 -0.01 -0.05 -0.04 1.41 1.42 2oh6A1 GLU 217 H 0.09 0.31 0.16 -0.55 8.60 8.61 2oh6A1 GLU 217 HA -0.00 0.13 0.52 -0.75 4.29 4.18 2oh6A1 GLU 217 HB2 0.12 0.13 0.11 -0.04 2.09 2.41 2oh6A1 GLU 217 HB3 0.04 -0.01 0.09 -0.04 1.99 2.08 2oh6A1 GLU 217 HG2 0.03 -0.02 -0.09 -0.04 2.34 2.22 2oh6A1 GLU 217 HG3 0.10 0.05 0.03 -0.04 2.34 2.48 2oh6A1 LEU 218 H 0.00 0.14 -0.13 -0.55 8.37 7.84 2oh6A1 LEU 218 HA -0.10 0.10 0.37 -0.75 4.35 3.97 2oh6A1 LEU 218 HB2 -0.02 0.05 0.07 -0.04 1.64 1.69 2oh6A1 LEU 218 HB3 -0.01 -0.04 0.03 -0.04 1.64 1.58 2oh6A1 LEU 218 HG -0.10 0.01 -0.36 -0.04 1.64 1.14 2oh6A1 LEU 218 HD13 -0.07 0.01 0.01 -0.04 0.93 0.84 2oh6A1 LEU 218 HD23 -0.02 0.02 -0.06 -0.04 0.89 0.80 2oh6A1 GLU 219 H -0.02 0.08 -0.33 -0.55 8.60 7.78 2oh6A1 GLU 219 HA -0.25 0.10 0.36 -0.75 4.29 3.75 2oh6A1 GLU 219 HB2 0.05 0.00 0.07 -0.04 2.09 2.17 2oh6A1 GLU 219 HB3 0.09 0.00 0.13 -0.04 1.99 2.17 2oh6A1 GLU 219 HG2 0.23 0.06 -0.09 -0.04 2.34 2.51 2oh6A1 GLU 219 HG3 0.05 0.06 0.04 -0.04 2.34 2.45 2oh6A1 LEU 220 H -0.15 0.37 -0.23 -0.55 8.37 7.81 2oh6A1 LEU 220 HA -0.70 0.06 0.39 -0.75 4.35 3.35 2oh6A1 LEU 220 HB2 -0.20 0.02 0.07 -0.04 1.64 1.49 2oh6A1 LEU 220 HB3 -0.33 0.10 0.12 -0.04 1.64 1.49 2oh6A1 LEU 220 HG -0.36 -0.06 -0.13 -0.04 1.64 1.04 2oh6A1 LEU 220 HD13 -0.19 0.01 -0.07 -0.04 0.93 0.64 2oh6A1 LEU 220 HD23 -0.57 0.01 -0.11 -0.04 0.89 0.18 2oh6A1 VAL 221 H -0.31 0.56 -0.13 -0.55 8.24 7.81 2oh6A1 VAL 221 HA -0.49 0.01 0.35 -0.75 4.13 3.24 2oh6A1 VAL 221 HB -0.28 0.06 0.14 -0.04 2.12 1.99 2oh6A1 VAL 221 HG13 -0.40 0.00 -0.19 -0.04 0.97 0.34 2oh6A1 VAL 221 HG23 -0.54 0.01 -0.06 -0.04 0.95 0.33 2oh6A1 ASN 222 H -0.27 0.57 -0.11 -0.55 8.53 8.17 2oh6A1 ASN 222 HA -0.14 0.05 0.34 -0.75 4.76 4.25 2oh6A1 ASN 222 HB2 -0.54 0.01 0.08 -0.04 2.88 2.39 2oh6A1 ASN 222 HB3 -0.30 -0.01 -0.02 -0.04 2.79 2.42 2oh6A1 ASN 222 HD21 -0.10 -0.05 -0.04 -0.04 7.03 6.79 2oh6A1 ASN 222 HD22 -0.21 -0.02 -0.07 -0.04 7.74 7.40 2oh6A1 HIS 223 H -0.20 0.50 -0.16 -0.55 8.41 8.00 2oh6A1 HIS 223 HA -0.07 0.25 0.96 -0.75 4.63 5.02 2oh6A1 HIS 223 HB2 -0.02 0.08 0.04 -0.04 3.26 3.33 2oh6A1 HIS 223 HB3 0.05 -0.02 0.11 -0.04 3.20 3.30 2oh6A1 HIS 223 HD2 -0.04 0.26 -0.35 -0.04 6.97 6.79 2oh6A1 HIS 223 HE1 -0.02 -0.03 -0.03 -0.04 7.75 7.62 2oh6A1 TYR 224 H -0.13 0.23 -0.15 -0.55 8.29 7.69 2oh6A1 TYR 224 HA -0.10 0.21 0.86 -0.75 4.56 4.77 2oh6A1 TYR 224 HB2 -0.52 -0.04 -0.12 -0.04 3.06 2.34 2oh6A1 TYR 224 HB3 -0.42 0.03 0.14 -0.04 2.98 2.68 2oh6A1 TYR 224 HD2 0.03 0.00 -0.09 -0.04 7.15 7.06 2oh6A1 TYR 224 HE2 -0.18 0.00 -0.13 -0.04 6.85 6.50 2oh6A1 ILE 225 H -0.20 0.53 0.16 -0.55 8.25 8.19 2oh6A1 ILE 225 HA -0.23 0.06 0.23 -0.75 4.18 3.48 2oh6A1 ILE 225 HB -0.33 0.03 0.16 -0.04 1.89 1.71 2oh6A1 ILE 225 HG12 -0.48 0.02 -0.20 -0.04 1.49 0.79 2oh6A1 ILE 225 HG13 -0.78 -0.08 -0.19 -0.04 1.21 0.12 2oh6A1 ILE 225 HG23 -0.10 0.00 -0.36 -0.04 0.93 0.42 2oh6A1 ILE 225 HD13 -0.15 0.03 -0.21 -0.04 0.88 0.50 2oh6A1 SER 226 H -0.19 0.46 -0.03 -0.55 8.46 8.15 2oh6A1 SER 226 HA -0.09 0.01 0.12 -0.75 4.49 3.78 2oh6A1 SER 226 HB2 -0.08 0.14 0.11 -0.04 3.95 4.07 2oh6A1 SER 226 HB3 -0.04 -0.06 -0.01 -0.04 3.93 3.78 2oh6A1 PRO 227 HA -0.09 0.04 0.34 -0.51 4.44 4.22 2oh6A1 PRO 227 HB2 -0.15 0.09 -0.21 -0.04 2.28 1.97 2oh6A1 PRO 227 HB3 -0.08 -0.02 0.01 -0.04 2.02 1.89 2oh6A1 PRO 227 HG2 -0.03 0.04 -0.22 -0.04 2.03 1.78 2oh6A1 PRO 227 HG3 -0.02 0.10 0.04 -0.04 2.03 2.11 2oh6A1 PRO 227 HD2 -0.19 0.05 -0.84 -0.04 3.68 2.67 2oh6A1 PRO 227 HD3 -0.10 0.15 -0.19 -0.04 3.65 3.47 2oh6A1 ASN 228 H -0.43 0.33 -0.54 -0.55 8.53 7.34 2oh6A1 ASN 228 HA -0.30 0.12 0.69 -0.75 4.76 4.52 2oh6A1 ASN 228 HB2 -1.76 0.13 -0.01 -0.04 2.88 1.19 2oh6A1 ASN 228 HB3 -1.05 -0.05 0.06 -0.04 2.79 1.70 2oh6A1 ASN 228 HD21 -0.18 -0.04 -0.12 -0.04 7.03 6.64 2oh6A1 ASN 228 HD22 -0.23 0.03 -0.07 -0.04 7.74 7.42 2oh6A1 ALA 229 H -0.21 0.36 -0.32 -0.55 8.40 7.68 2oh6A1 ALA 229 HA -0.05 -0.02 0.24 -0.75 4.34 3.75 2oh6A1 ALA 229 HB3 -0.01 0.02 -0.05 -0.04 1.41 1.34 2oh6A1 TYR 230 H -0.15 0.46 -0.11 -0.55 8.29 7.93 2oh6A1 TYR 230 HA -0.10 0.18 0.68 -0.75 4.56 4.56 2oh6A1 TYR 230 HB2 -0.36 -0.09 -0.04 -0.04 3.06 2.52 2oh6A1 TYR 230 HB3 -0.70 0.07 -0.10 -0.04 2.98 2.21 2oh6A1 TYR 230 HD2 -0.35 0.01 -0.26 -0.04 7.15 6.50 2oh6A1 TYR 230 HE2 -0.30 -0.04 -0.10 -0.04 6.85 6.37 2oh6A1 PRO 231 HA 0.03 0.30 0.59 -0.51 4.44 4.85 2oh6A1 PRO 231 HB2 0.00 -0.10 -0.20 -0.04 2.28 1.94 2oh6A1 PRO 231 HB3 0.02 0.13 -0.13 -0.04 2.02 2.00 2oh6A1 PRO 231 HG2 -0.14 -0.07 -0.08 -0.04 2.03 1.70 2oh6A1 PRO 231 HG3 0.07 0.18 0.14 -0.04 2.03 2.38 2oh6A1 PRO 231 HD2 -0.73 0.02 0.12 -0.04 3.68 3.05 2oh6A1 PRO 231 HD3 0.03 0.21 0.22 -0.04 3.65 4.07 2oh6A1 TYR 232 H 0.12 0.48 0.22 -0.55 8.29 8.56 2oh6A1 TYR 232 HA -0.12 0.08 0.41 -0.75 4.56 4.18 2oh6A1 TYR 232 HB2 -0.19 0.14 -0.41 -0.04 3.06 2.56 2oh6A1 TYR 232 HB3 -0.09 -0.07 -0.19 -0.04 2.98 2.59 2oh6A1 TYR 232 HD2 -0.41 0.04 -0.18 -0.04 7.15 6.55 2oh6A1 TYR 232 HE2 -0.68 -0.08 -0.13 -0.04 6.85 5.91 2oh6A1 LEU 233 H -0.89 0.24 0.02 -0.55 8.37 7.20 2oh6A1 LEU 233 HA -0.11 0.33 0.80 -0.75 4.35 4.61 2oh6A1 LEU 233 HB2 -0.15 -0.01 -0.20 -0.04 1.64 1.24 2oh6A1 LEU 233 HB3 -0.31 -0.02 0.02 -0.04 1.64 1.28 2oh6A1 LEU 233 HG -0.21 0.04 -0.20 -0.04 1.64 1.22 2oh6A1 LEU 233 HD13 -0.10 0.03 -0.31 -0.04 0.93 0.51 2oh6A1 LEU 233 HD23 -0.09 0.00 -0.13 -0.04 0.89 0.63 2oh6A1 ASP 234 H 0.04 0.47 0.12 -0.55 8.40 8.48 2oh6A1 ASP 234 HA -0.17 0.20 0.53 -0.75 4.63 4.43 2oh6A1 ASP 234 HB2 0.14 -0.07 0.09 -0.04 2.71 2.83 2oh6A1 ASP 234 HB3 0.37 0.11 -0.04 -0.04 2.70 3.09 2oh6A1 ILE 235 H -0.05 0.13 0.11 -0.55 8.25 7.90 2oh6A1 ILE 235 HA -0.26 0.16 0.23 -0.75 4.18 3.55 2oh6A1 ILE 235 HB -0.12 0.00 0.10 -0.04 1.89 1.83 2oh6A1 ILE 235 HG12 -0.07 0.03 -0.00 -0.04 1.49 1.41 2oh6A1 ILE 235 HG13 -0.14 0.04 0.06 -0.04 1.21 1.12 2oh6A1 ILE 235 HG23 -0.02 -0.00 -0.03 -0.04 0.93 0.83 2oh6A1 ILE 235 HD13 -0.04 0.01 -0.01 -0.04 0.88 0.79 2oh6A1 ASN 236 H -0.01 -0.02 -0.35 -0.55 8.53 7.60 2oh6A1 ASN 236 HA -0.03 0.24 0.69 -0.75 4.76 4.90 2oh6A1 ASN 236 HB2 0.03 -0.07 -0.01 -0.04 2.88 2.79 2oh6A1 ASN 236 HB3 0.01 0.06 0.13 -0.04 2.79 2.95 2oh6A1 ASN 236 HD21 -0.01 0.00 -0.05 -0.04 7.03 6.93 2oh6A1 ASN 236 HD22 -0.01 0.07 0.01 -0.04 7.74 7.77 2oh6A1 ASN 237 H -0.08 0.48 -0.49 -0.55 8.53 7.89 2oh6A1 ASN 237 HA -0.10 0.08 0.18 -0.75 4.76 4.17 2oh6A1 ASN 237 HB2 -0.05 -0.01 -0.31 -0.04 2.88 2.47 2oh6A1 ASN 237 HB3 -0.04 0.12 0.14 -0.04 2.79 2.97 2oh6A1 ASN 237 HD21 -0.04 -0.01 0.03 -0.04 7.03 6.97 2oh6A1 ASN 237 HD22 -0.04 0.00 0.05 -0.04 7.74 7.71 2oh6A1 HIS 238 H 0.07 -0.09 -0.26 -0.55 8.41 7.58 2oh6A1 HIS 238 HA -0.13 0.20 0.73 -0.75 4.63 4.68 2oh6A1 HIS 238 HB2 -0.06 0.03 -0.10 -0.04 3.26 3.09 2oh6A1 HIS 238 HB3 -0.02 -0.13 -0.01 -0.04 3.20 2.99 2oh6A1 HIS 238 HD2 -1.31 0.02 -0.37 -0.04 6.97 5.27 2oh6A1 HIS 238 HE1 -0.12 -0.02 0.00 -0.04 7.75 7.57 2oh6A1 SER 239 H -0.56 0.16 0.20 -0.55 8.46 7.72 2oh6A1 SER 239 HA -0.08 0.21 0.80 -0.75 4.49 4.67 2oh6A1 SER 239 HB2 -0.26 -0.01 0.19 -0.04 3.95 3.83 2oh6A1 SER 239 HB3 -0.13 0.05 -0.17 -0.04 3.93 3.63 2oh6A1 TYR 240 H 0.16 0.66 0.35 -0.55 8.29 8.91 2oh6A1 TYR 240 HA 0.04 0.13 0.82 -0.75 4.56 4.80 2oh6A1 TYR 240 HB2 0.09 -0.04 -0.01 -0.04 3.06 3.06 2oh6A1 TYR 240 HB3 0.03 0.05 -0.05 -0.04 2.98 2.96 2oh6A1 TYR 240 HD2 0.09 0.10 -0.18 -0.04 7.15 7.11 2oh6A1 TYR 240 HE2 0.04 -0.07 -0.12 -0.04 6.85 6.66 2oh6A1 GLY 241 H 0.09 0.28 0.13 -0.55 8.43 8.38 2oh6A1 GLY 241 HA2 0.05 0.21 -0.01 -0.51 4.01 3.75 2oh6A1 GLY 241 HA3 0.04 0.08 0.44 -0.51 4.01 4.06 2oh6A1 VAL 242 H 0.05 0.32 0.01 -0.55 8.24 8.07 2oh6A1 VAL 242 HA 0.01 0.11 0.90 -0.75 4.13 4.40 2oh6A1 VAL 242 HB 0.04 0.05 0.03 -0.04 2.12 2.20 2oh6A1 VAL 242 HG13 0.02 0.01 -0.17 -0.04 0.97 0.79 2oh6A1 VAL 242 HG23 0.02 -0.00 -0.19 -0.04 0.95 0.73 2oh6A1 ALA 243 H -0.01 0.15 0.04 -0.55 8.40 8.03 2oh6A1 ALA 243 HA -0.05 0.06 0.56 -0.75 4.34 4.16 2oh6A1 ALA 243 HB3 -0.05 0.03 -0.03 -0.04 1.41 1.31 2oh6A1 LEU 244 H -0.14 0.04 0.16 -0.55 8.37 7.88 2oh6A1 LEU 244 HA -0.01 0.23 0.84 -0.75 4.35 4.66 2oh6A1 LEU 244 HB2 0.11 -0.02 0.04 -0.04 1.64 1.74 2oh6A1 LEU 244 HB3 0.04 0.11 0.02 -0.04 1.64 1.76 2oh6A1 LEU 244 HG 0.07 0.09 -0.35 -0.04 1.64 1.40 2oh6A1 LEU 244 HD13 0.11 0.01 -0.04 -0.04 0.93 0.97 2oh6A1 LEU 244 HD23 0.02 0.01 -0.10 -0.04 0.89 0.79 2oh6A1 SER 245 H -0.36 0.02 0.08 -0.55 8.46 7.65 2oh6A1 SER 245 HA -0.10 0.03 0.29 -0.75 4.49 3.95 2oh6A1 SER 245 HB2 -0.97 0.02 0.12 -0.04 3.95 3.08 2oh6A1 SER 245 HB3 -0.36 0.01 0.15 -0.04 3.93 3.69 2oh6A1 ASN 246 H -0.02 0.12 0.26 -0.55 8.53 8.35 2oh6A1 ASN 246 HA 0.00 0.01 0.34 -0.75 4.76 4.36 2oh6A1 ASN 246 HB2 -0.02 -0.07 -0.15 -0.04 2.88 2.60 2oh6A1 ASN 246 HB3 -0.03 0.16 0.13 -0.04 2.79 3.01 2oh6A1 ASN 246 HD21 0.01 -0.04 0.00 -0.04 7.03 6.96 2oh6A1 ASN 246 HD22 0.01 0.01 0.04 -0.04 7.74 7.76 2oh6A1 ARG 247 H -0.01 0.39 -0.17 -0.55 8.46 8.12 2oh6A1 ARG 247 HA -0.01 0.11 0.82 -0.75 4.34 4.50 2oh6A1 ARG 247 HB2 -0.03 -0.02 -0.37 -0.04 1.90 1.44 2oh6A1 ARG 247 HB3 -0.01 0.10 -0.13 -0.04 1.80 1.72 2oh6A1 ARG 247 HG2 -0.03 -0.04 -0.09 -0.04 1.67 1.47 2oh6A1 ARG 247 HG3 -0.04 0.13 -0.61 -0.04 1.67 1.11 2oh6A1 ARG 247 HD2 -0.07 -0.16 -0.46 -0.04 3.22 2.48 2oh6A1 ARG 247 HD3 -0.04 -0.01 -0.18 -0.04 3.22 2.95 2oh6A1 GLN 248 H 0.01 0.12 0.01 -0.55 8.47 8.06 2oh6A1 GLN 248 HA 0.04 0.22 0.52 -0.75 4.36 4.39 2oh6A1 GLN 248 HB2 0.01 0.01 0.07 -0.04 2.15 2.20 2oh6A1 GLN 248 HB3 0.02 0.01 0.04 -0.04 2.02 2.05 2oh6A1 GLN 248 HG2 0.03 0.03 -0.09 -0.04 2.40 2.33 2oh6A1 GLN 248 HG3 0.01 -0.00 -0.06 -0.04 2.39 2.30 2oh6A1 GLN 248 HE21 0.00 -0.10 0.02 -0.04 6.97 6.85 2oh6A1 GLN 248 HE22 0.01 0.27 0.05 -0.04 7.69 7.98