============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 2 1.000 29.417 -33.187 2.523 -99.200 -91.000 TYR 6 0.840 30.476 -43.340 -1.084 -99.200 -91.000 TYR 32 0.840 50.318 -39.720 -15.970 -99.200 -91.000 HIS 33 0.900 43.370 -32.632 -13.481 -99.200 -91.000 HIS 38 0.900 31.538 -37.137 -7.849 -99.200 -91.000 PHE 42 1.000 34.544 -39.040 -2.682 -99.200 -91.000 TYR 44 0.840 34.823 -32.848 -3.552 -99.200 -91.000 HIS 48 0.900 36.553 -33.071 3.625 -99.200 -91.000 TYR 55 0.840 47.173 -52.726 -9.633 -99.200 -91.000 TYR 56 0.840 36.967 -53.120 -4.557 -99.200 -91.000 TYR 66 0.840 46.885 -40.652 -4.326 -99.200 -91.000 HIS 84 0.900 56.471 -41.223 -5.017 -99.200 -91.000 TYR 86 0.840 60.923 -49.490 -6.630 -99.200 -91.000 TYR 90 0.840 56.329 -47.234 -13.296 -99.200 -91.000 TYR 92 0.840 49.288 -52.004 -4.352 -99.200 -91.000 PHE 96 1.000 44.429 -48.233 -10.057 -99.200 -91.000 TYR 107 0.840 35.979 -50.289 -8.135 -99.200 -91.000 HIS 112 0.900 39.243 -40.854 3.832 -99.200 -91.000 TYR 114 0.840 38.909 -34.119 10.631 -99.200 -91.000 PHE 115 1.000 45.703 -28.175 4.554 -99.200 -91.000 PHE 128 1.000 41.630 -18.081 3.163 -99.200 -91.000 PHE 130 1.000 45.372 -20.615 0.329 -99.200 -91.000 TYR 140 0.840 47.760 -24.765 0.146 -99.200 -91.000 PHE 143 1.000 41.839 -24.722 0.851 -99.200 -91.000 PHE 148 1.000 40.530 -15.585 -6.324 -99.200 -91.000 TYR 150 0.840 39.361 -22.437 -13.226 -99.200 -91.000 TYR 156 0.840 33.957 -16.446 -21.894 -99.200 -91.000 TYR 159 0.840 38.355 -14.243 -1.186 -99.200 -91.000 TYR 162 0.840 47.568 -9.520 -1.339 -99.200 -91.000 TYR 166 0.840 55.166 -16.876 1.319 -99.200 -91.000 TYR 167 0.840 53.506 -25.076 -6.181 -99.200 -91.000 TYR 170 0.840 64.852 -30.093 -10.593 -99.200 -91.000 TYR 177 0.840 45.990 -29.054 -10.610 -99.200 -91.000 TYR 183 0.840 41.117 -17.482 -15.236 -99.200 -91.000 PHE 184 1.000 42.504 -19.508 -9.878 -99.200 -91.000 TYR 188 0.840 40.016 -13.246 -9.891 -99.200 -91.000 HIS 195 0.900 56.186 -13.915 -2.577 -99.200 -91.000 TYR 196 0.840 55.163 -19.985 -9.151 -99.200 -91.000 PHE 198 1.000 60.761 -21.714 -10.164 -99.200 -91.000 TYR 200 0.840 66.595 -24.196 -12.080 -99.200 -91.000 PHE 209 1.000 66.520 -19.485 0.057 -99.200 -91.000 TYR 210 0.840 64.735 -27.868 -0.044 -99.200 -91.000 TYR 216 0.840 65.023 -16.902 9.589 -99.200 -91.000 PHE 222 1.000 54.930 -16.334 7.184 -99.200 -91.000 PHE 226 1.000 49.257 -16.164 11.805 -99.200 -91.000 TYR 229 0.840 47.065 -6.575 5.129 -99.200 -91.000 TYR 234 0.840 44.242 -23.098 5.188 -99.200 -91.000 HIS 238 0.900 58.327 -34.399 1.392 -99.200 -91.000 TYR 243 0.840 58.442 -29.944 14.057 -99.200 -91.000 HIS 257 0.900 43.309 -24.120 9.401 -99.200 -91.000 TYR 261 0.840 51.294 -35.014 0.716 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ok7B1 ASN 5 HA -0.11 0.01 0.19 -0.75 4.76 4.10 2ok7B1 ASN 5 HB2 -0.24 -0.07 -0.01 -0.04 2.88 2.53 2ok7B1 ASN 5 HB3 -0.44 0.03 -0.05 -0.04 2.79 2.28 2ok7B1 ASN 5 HD21 -0.07 0.00 0.01 -0.04 7.03 6.93 2ok7B1 ASN 5 HD22 -0.17 0.01 0.00 -0.04 7.74 7.55 2ok7B1 PHE 6 H 0.06 0.12 0.08 -0.55 8.34 8.04 2ok7B1 PHE 6 HA -0.07 0.24 0.77 -0.75 4.62 4.81 2ok7B1 PHE 6 HB2 0.08 -0.07 -0.06 -0.04 3.15 3.06 2ok7B1 PHE 6 HB3 -0.08 0.05 -0.05 -0.04 3.06 2.94 2ok7B1 PHE 6 HD2 0.01 -0.02 -0.16 -0.04 7.28 7.07 2ok7B1 PHE 6 HE2 -0.04 0.03 -0.09 -0.04 7.38 7.24 2ok7B1 PHE 6 HZ -0.03 0.01 -0.05 -0.04 7.32 7.21 2ok7B1 ILE 7 H 0.01 0.18 -0.01 -0.55 8.25 7.88 2ok7B1 ILE 7 HA -0.19 0.20 0.31 -0.75 4.18 3.74 2ok7B1 ILE 7 HB 0.01 0.02 0.00 -0.04 1.89 1.88 2ok7B1 ILE 7 HG12 -0.13 0.03 -0.02 -0.04 1.49 1.34 2ok7B1 ILE 7 HG13 0.01 -0.17 0.12 -0.04 1.21 1.13 2ok7B1 ILE 7 HG23 -0.07 -0.01 0.01 -0.04 0.93 0.82 2ok7B1 ILE 7 HD13 0.20 0.01 0.01 -0.04 0.88 1.05 2ok7B1 ASN 8 H -0.19 0.47 0.13 -0.55 8.53 8.39 2ok7B1 ASN 8 HA -0.09 0.05 0.26 -0.75 4.76 4.23 2ok7B1 ASN 8 HB2 -0.02 0.14 -0.10 -0.04 2.88 2.87 2ok7B1 ASN 8 HB3 -0.01 -0.05 0.10 -0.04 2.79 2.79 2ok7B1 ASN 8 HD21 0.06 -0.04 -0.03 -0.04 7.03 6.99 2ok7B1 ASN 8 HD22 0.03 0.03 -0.06 -0.04 7.74 7.71 2ok7B1 LEU 9 H -0.21 0.20 -0.12 -0.55 8.37 7.69 2ok7B1 LEU 9 HA -0.29 0.12 0.57 -0.75 4.35 3.99 2ok7B1 LEU 9 HB2 -0.41 -0.15 0.25 -0.04 1.64 1.29 2ok7B1 LEU 9 HB3 -0.96 0.03 0.03 -0.04 1.64 0.70 2ok7B1 LEU 9 HG -0.14 0.00 -0.01 -0.04 1.64 1.45 2ok7B1 LEU 9 HD13 -0.10 0.02 -0.10 -0.04 0.93 0.72 2ok7B1 LEU 9 HD23 -0.23 -0.00 0.11 -0.04 0.89 0.73 2ok7B1 TYR 10 H -0.12 -0.02 0.05 -0.55 8.29 7.65 2ok7B1 TYR 10 HA -0.02 0.27 0.85 -0.75 4.56 4.91 2ok7B1 TYR 10 HB2 0.02 -0.24 0.19 -0.04 3.06 2.99 2ok7B1 TYR 10 HB3 0.02 0.33 0.27 -0.04 2.98 3.56 2ok7B1 TYR 10 HD2 -0.15 0.01 -0.02 -0.04 7.15 6.95 2ok7B1 TYR 10 HE2 -0.10 0.02 0.00 -0.04 6.85 6.73 2ok7B1 THR 11 H 0.10 0.22 0.07 -0.55 8.28 8.12 2ok7B1 THR 11 HA 0.11 0.22 0.88 -0.75 4.39 4.84 2ok7B1 THR 11 HB 0.05 -0.13 0.20 -0.04 4.32 4.40 2ok7B1 THR 11 HG23 0.04 0.06 -0.14 -0.04 1.22 1.13 2ok7B1 VAL 12 H 0.05 0.16 0.10 -0.55 8.24 8.01 2ok7B1 VAL 12 HA 0.02 0.15 0.50 -0.75 4.13 4.04 2ok7B1 VAL 12 HB 0.04 0.02 -0.00 -0.04 2.12 2.13 2ok7B1 VAL 12 HG13 0.05 0.03 -0.01 -0.04 0.97 1.00 2ok7B1 VAL 12 HG23 0.03 -0.00 0.02 -0.04 0.95 0.96 2ok7B1 LYS 13 H 0.04 -0.03 -0.12 -0.55 8.42 7.76 2ok7B1 LYS 13 HA 0.05 0.13 0.50 -0.75 4.32 4.24 2ok7B1 LYS 13 HB2 0.04 -0.03 0.01 -0.04 1.87 1.84 2ok7B1 LYS 13 HB3 0.04 0.06 0.02 -0.04 1.79 1.87 2ok7B1 LYS 13 HG2 0.03 0.04 0.01 -0.04 1.46 1.50 2ok7B1 LYS 13 HG3 0.03 -0.10 0.03 -0.04 1.46 1.38 2ok7B1 LYS 13 HD2 0.02 0.04 0.00 -0.04 1.69 1.71 2ok7B1 LYS 13 HD3 0.02 0.00 0.00 -0.04 1.68 1.66 2ok7B1 LYS 13 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 2ok7B1 LYS 13 HE3 0.02 0.01 -0.01 -0.04 2.99 2.98 2ok7B1 ASN 14 H 0.06 -0.11 -0.46 -0.55 8.53 7.48 2ok7B1 ASN 14 HA 0.07 0.23 0.51 -0.75 4.76 4.81 2ok7B1 ASN 14 HB2 0.13 0.06 0.07 -0.04 2.88 3.10 2ok7B1 ASN 14 HB3 0.07 0.07 -0.04 -0.04 2.79 2.85 2ok7B1 ASN 14 HD21 -0.00 0.21 0.17 -0.04 7.03 7.36 2ok7B1 ASN 14 HD22 0.21 0.05 0.11 -0.04 7.74 8.07 2ok7B1 PRO 15 HA 0.04 0.19 0.66 -0.51 4.44 4.82 2ok7B1 PRO 15 HB2 -0.12 -0.09 -0.22 -0.04 2.28 1.81 2ok7B1 PRO 15 HB3 -0.14 0.00 -0.17 -0.04 2.02 1.67 2ok7B1 PRO 15 HG2 -0.74 -0.01 -0.09 -0.04 2.03 1.15 2ok7B1 PRO 15 HG3 -0.77 0.03 -0.06 -0.04 2.03 1.19 2ok7B1 PRO 15 HD2 -0.05 0.08 0.04 -0.04 3.68 3.70 2ok7B1 PRO 15 HD3 -0.06 0.22 -0.26 -0.04 3.65 3.51 2ok7B1 LEU 16 H -0.13 0.60 0.28 -0.55 8.37 8.58 2ok7B1 LEU 16 HA -0.19 0.14 0.77 -0.75 4.35 4.32 2ok7B1 LEU 16 HB2 -1.37 0.04 0.01 -0.04 1.64 0.27 2ok7B1 LEU 16 HB3 -0.35 -0.08 0.10 -0.04 1.64 1.27 2ok7B1 LEU 16 HG -0.19 0.09 -0.33 -0.04 1.64 1.17 2ok7B1 LEU 16 HD13 -0.23 0.01 -0.02 -0.04 0.93 0.64 2ok7B1 LEU 16 HD23 -0.12 0.00 -0.15 -0.04 0.89 0.58 2ok7B1 LYS 17 H -0.07 0.18 0.13 -0.55 8.42 8.11 2ok7B1 LYS 17 HA -0.61 0.07 0.54 -0.75 4.32 3.57 2ok7B1 LYS 17 HB2 0.04 0.03 0.07 -0.04 1.87 1.96 2ok7B1 LYS 17 HB3 -0.06 -0.02 0.16 -0.04 1.79 1.82 2ok7B1 LYS 17 HG2 -0.25 0.06 -0.20 -0.04 1.46 1.04 2ok7B1 LYS 17 HG3 -0.44 -0.01 -0.03 -0.04 1.46 0.93 2ok7B1 LYS 17 HD2 0.09 0.00 -0.02 -0.04 1.69 1.72 2ok7B1 LYS 17 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2ok7B1 LYS 17 HE2 0.02 -0.01 -0.04 -0.04 2.99 2.93 2ok7B1 LYS 17 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.92 2ok7B1 CYS 18 H -0.37 0.65 0.45 -0.55 8.50 8.69 2ok7B1 CYS 18 HA -0.12 0.17 0.96 -0.75 4.58 4.84 2ok7B1 CYS 18 HB2 -0.17 0.00 -0.01 -0.04 2.97 2.74 2ok7B1 CYS 18 HB3 -0.10 0.03 -0.04 -0.04 2.97 2.82 2ok7B1 LYS 19 H -0.09 0.57 0.33 -0.55 8.42 8.68 2ok7B1 LYS 19 HA -0.10 0.34 0.98 -0.75 4.32 4.78 2ok7B1 LYS 19 HB2 -0.07 -0.08 0.09 -0.04 1.87 1.77 2ok7B1 LYS 19 HB3 -0.07 0.03 -0.09 -0.04 1.79 1.63 2ok7B1 LYS 19 HG2 -0.08 -0.02 -0.28 -0.04 1.46 1.04 2ok7B1 LYS 19 HG3 -0.05 -0.04 -0.07 -0.04 1.46 1.25 2ok7B1 LYS 19 HD2 -0.05 -0.02 -0.05 -0.04 1.69 1.53 2ok7B1 LYS 19 HD3 -0.07 0.12 -0.24 -0.04 1.68 1.45 2ok7B1 LYS 19 HE2 -0.05 -0.05 -0.10 -0.04 2.99 2.75 2ok7B1 LYS 19 HE3 -0.03 -0.05 -0.03 -0.04 2.99 2.83 2ok7B1 ILE 20 H -0.09 0.52 0.15 -0.55 8.25 8.28 2ok7B1 ILE 20 HA -0.10 0.16 0.87 -0.75 4.18 4.35 2ok7B1 ILE 20 HB -0.11 -0.05 0.21 -0.04 1.89 1.90 2ok7B1 ILE 20 HG12 -0.12 0.12 -0.15 -0.04 1.49 1.29 2ok7B1 ILE 20 HG13 -0.18 0.04 -0.12 -0.04 1.21 0.91 2ok7B1 ILE 20 HG23 -0.12 0.01 -0.28 -0.04 0.93 0.49 2ok7B1 ILE 20 HD13 -0.15 -0.01 -0.16 -0.04 0.88 0.51 2ok7B1 VAL 21 H -0.07 0.61 0.32 -0.55 8.24 8.54 2ok7B1 VAL 21 HA -0.04 0.12 0.70 -0.75 4.13 4.16 2ok7B1 VAL 21 HB -0.03 -0.05 -0.00 -0.04 2.12 1.99 2ok7B1 VAL 21 HG13 -0.02 -0.00 -0.09 -0.04 0.97 0.82 2ok7B1 VAL 21 HG23 -0.04 -0.00 -0.09 -0.04 0.95 0.77 2ok7B1 ASP 22 H -0.05 0.28 0.28 -0.55 8.40 8.36 2ok7B1 ASP 22 HA -0.03 0.18 0.60 -0.75 4.63 4.62 2ok7B1 ASP 22 HB2 0.01 0.02 -0.26 -0.04 2.71 2.44 2ok7B1 ASP 22 HB3 0.05 -0.07 -0.06 -0.04 2.70 2.57 2ok7B1 LYS 23 H -0.02 0.24 0.09 -0.55 8.42 8.18 2ok7B1 LYS 23 HA -0.03 0.29 0.91 -0.75 4.32 4.73 2ok7B1 LYS 23 HB2 -0.16 0.02 -0.17 -0.04 1.87 1.52 2ok7B1 LYS 23 HB3 -0.13 -0.01 0.10 -0.04 1.79 1.71 2ok7B1 LYS 23 HG2 -0.30 -0.06 -0.21 -0.04 1.46 0.85 2ok7B1 LYS 23 HG3 -0.21 -0.04 -0.11 -0.04 1.46 1.06 2ok7B1 LYS 23 HD2 -0.64 0.01 -0.08 -0.04 1.69 0.94 2ok7B1 LYS 23 HD3 -0.34 -0.02 -0.12 -0.04 1.68 1.16 2ok7B1 LYS 23 HE2 -0.31 -0.06 -0.01 -0.04 2.99 2.57 2ok7B1 LYS 23 HE3 -0.68 -0.14 -0.05 -0.04 2.99 2.08 2ok7B1 ILE 24 H 0.14 0.81 0.29 -0.55 8.25 8.93 2ok7B1 ILE 24 HA 0.09 0.17 0.91 -0.75 4.18 4.60 2ok7B1 ILE 24 HB 0.17 -0.03 0.06 -0.04 1.89 2.05 2ok7B1 ILE 24 HG12 0.03 0.06 -0.06 -0.04 1.49 1.48 2ok7B1 ILE 24 HG13 0.07 -0.04 -0.42 -0.04 1.21 0.78 2ok7B1 ILE 24 HG23 -0.02 -0.01 -0.23 -0.04 0.93 0.62 2ok7B1 ILE 24 HD13 0.09 -0.00 -0.12 -0.04 0.88 0.80 2ok7B1 ASN 25 H 0.08 0.21 0.18 -0.55 8.53 8.46 2ok7B1 ASN 25 HA -0.19 0.15 0.80 -0.75 4.76 4.76 2ok7B1 ASN 25 HB2 -0.00 0.03 0.16 -0.04 2.88 3.03 2ok7B1 ASN 25 HB3 -0.04 0.03 0.24 -0.04 2.79 2.98 2ok7B1 ASN 25 HD21 -0.11 0.00 -0.05 -0.04 7.03 6.83 2ok7B1 ASN 25 HD22 -0.06 -0.01 0.04 -0.04 7.74 7.66 2ok7B1 LEU 26 H -0.14 0.52 0.37 -0.55 8.37 8.57 2ok7B1 LEU 26 HA -0.13 0.06 0.45 -0.75 4.35 3.97 2ok7B1 LEU 26 HB2 -0.15 0.05 0.01 -0.04 1.64 1.50 2ok7B1 LEU 26 HB3 -0.19 -0.08 0.01 -0.04 1.64 1.33 2ok7B1 LEU 26 HG -0.15 0.06 -0.02 -0.04 1.64 1.49 2ok7B1 LEU 26 HD13 -0.52 -0.03 -0.09 -0.04 0.93 0.25 2ok7B1 LEU 26 HD23 -0.54 -0.06 0.04 -0.04 0.89 0.29 2ok7B1 VAL 27 H -0.13 0.05 -0.20 -0.55 8.24 7.40 2ok7B1 VAL 27 HA -0.07 0.28 0.92 -0.75 4.13 4.51 2ok7B1 VAL 27 HB -0.08 0.06 0.17 -0.04 2.12 2.23 2ok7B1 VAL 27 HG13 -0.07 -0.06 -0.14 -0.04 0.97 0.67 2ok7B1 VAL 27 HG23 -0.13 0.02 -0.10 -0.04 0.95 0.69 2ok7B1 ARG 28 H -0.07 0.40 0.29 -0.55 8.46 8.53 2ok7B1 ARG 28 HA -0.06 0.23 0.78 -0.75 4.34 4.55 2ok7B1 ARG 28 HB2 -0.06 -0.05 0.14 -0.04 1.90 1.90 2ok7B1 ARG 28 HB3 -0.05 -0.03 0.08 -0.04 1.80 1.75 2ok7B1 ARG 28 HG2 -0.04 0.01 -0.00 -0.04 1.67 1.60 2ok7B1 ARG 28 HG3 -0.04 0.13 -0.33 -0.04 1.67 1.39 2ok7B1 ARG 28 HD2 -0.04 -0.06 -0.04 -0.04 3.22 3.04 2ok7B1 ARG 28 HD3 -0.03 0.01 -0.06 -0.04 3.22 3.09 2ok7B1 PRO 29 HA -0.06 0.14 0.25 -0.51 4.44 4.26 2ok7B1 PRO 29 HB2 -0.05 -0.02 0.05 -0.04 2.28 2.23 2ok7B1 PRO 29 HB3 -0.04 0.07 0.09 -0.04 2.02 2.10 2ok7B1 PRO 29 HG2 -0.03 0.05 0.09 -0.04 2.03 2.09 2ok7B1 PRO 29 HG3 -0.04 0.08 0.11 -0.04 2.03 2.15 2ok7B1 PRO 29 HD2 -0.05 0.07 0.17 -0.04 3.68 3.83 2ok7B1 PRO 29 HD3 -0.04 0.17 0.25 -0.04 3.65 3.99 2ok7B1 ASN 30 H -0.07 0.02 -0.24 -0.55 8.53 7.69 2ok7B1 ASN 30 HA -0.08 0.23 0.66 -0.75 4.76 4.83 2ok7B1 ASN 30 HB2 -0.10 -0.10 0.04 -0.04 2.88 2.68 2ok7B1 ASN 30 HB3 -0.11 -0.03 0.15 -0.04 2.79 2.77 2ok7B1 ASN 30 HD21 -0.06 0.04 -0.02 -0.04 7.03 6.96 2ok7B1 ASN 30 HD22 -0.09 -0.06 0.00 -0.04 7.74 7.55 2ok7B1 SER 31 H -0.09 0.58 -0.21 -0.55 8.46 8.19 2ok7B1 SER 31 HA -0.14 0.02 0.78 -0.75 4.49 4.40 2ok7B1 SER 31 HB2 -0.08 -0.02 -0.18 -0.04 3.95 3.63 2ok7B1 SER 31 HB3 -0.10 0.20 0.05 -0.04 3.93 4.04 2ok7B1 PRO 32 HA -0.15 0.22 0.63 -0.51 4.44 4.63 2ok7B1 PRO 32 HB2 -0.22 0.01 0.05 -0.04 2.28 2.08 2ok7B1 PRO 32 HB3 -0.30 0.06 0.08 -0.04 2.02 1.83 2ok7B1 PRO 32 HG2 -0.43 -0.04 0.03 -0.04 2.03 1.56 2ok7B1 PRO 32 HG3 -1.15 0.04 0.06 -0.04 2.03 0.94 2ok7B1 PRO 32 HD2 -0.34 -0.07 0.23 -0.04 3.68 3.46 2ok7B1 PRO 32 HD3 -0.60 0.23 0.18 -0.04 3.65 3.42 2ok7B1 ASN 33 H -0.14 -0.05 -0.25 -0.55 8.53 7.54 2ok7B1 ASN 33 HA -0.10 0.23 0.73 -0.75 4.76 4.87 2ok7B1 ASN 33 HB2 -0.08 -0.04 -0.02 -0.04 2.88 2.70 2ok7B1 ASN 33 HB3 -0.09 -0.03 0.01 -0.04 2.79 2.64 2ok7B1 ASN 33 HD21 -0.05 -0.01 0.03 -0.04 7.03 6.96 2ok7B1 ASN 33 HD22 -0.05 -0.02 0.05 -0.04 7.74 7.67 2ok7B1 GLU 34 H -0.09 0.23 0.13 -0.55 8.60 8.33 2ok7B1 GLU 34 HA -0.19 0.15 0.70 -0.75 4.29 4.20 2ok7B1 GLU 34 HB2 -0.08 0.12 -0.05 -0.04 2.09 2.04 2ok7B1 GLU 34 HB3 -0.05 0.01 0.19 -0.04 1.99 2.10 2ok7B1 GLU 34 HG2 -0.38 -0.06 -0.23 -0.04 2.34 1.63 2ok7B1 GLU 34 HG3 -0.36 0.02 -0.03 -0.04 2.34 1.93 2ok7B1 VAL 35 H -0.24 0.21 0.06 -0.55 8.24 7.71 2ok7B1 VAL 35 HA -0.14 0.38 1.00 -0.75 4.13 4.62 2ok7B1 VAL 35 HB -0.04 -0.02 -0.20 -0.04 2.12 1.82 2ok7B1 VAL 35 HG13 -0.07 -0.01 -0.20 -0.04 0.97 0.64 2ok7B1 VAL 35 HG23 -0.06 -0.03 -0.29 -0.04 0.95 0.53 2ok7B1 TYR 36 H 0.01 0.63 0.25 -0.55 8.29 8.63 2ok7B1 TYR 36 HA -0.04 0.23 1.06 -0.75 4.56 5.05 2ok7B1 TYR 36 HB2 -0.10 -0.01 0.04 -0.04 3.06 2.95 2ok7B1 TYR 36 HB3 -0.09 0.07 -0.17 -0.04 2.98 2.75 2ok7B1 TYR 36 HD2 -0.07 -0.03 -0.29 -0.04 7.15 6.72 2ok7B1 TYR 36 HE2 -0.06 -0.00 -0.10 -0.04 6.85 6.65 2ok7B1 HIS 37 H 0.15 0.90 0.40 -0.55 8.41 9.31 2ok7B1 HIS 37 HA 0.01 0.32 1.01 -0.75 4.63 5.22 2ok7B1 HIS 37 HB2 -0.09 -0.08 0.12 -0.04 3.26 3.17 2ok7B1 HIS 37 HB3 -0.00 0.00 0.21 -0.04 3.20 3.37 2ok7B1 HIS 37 HD2 0.04 -0.07 -0.28 -0.04 6.97 6.61 2ok7B1 HIS 37 HE1 0.15 -0.01 -0.12 -0.04 7.75 7.72 2ok7B1 LEU 38 H -0.30 0.46 0.25 -0.55 8.37 8.23 2ok7B1 LEU 38 HA -0.16 0.35 1.13 -0.75 4.35 4.92 2ok7B1 LEU 38 HB2 -0.21 -0.08 -0.00 -0.04 1.64 1.31 2ok7B1 LEU 38 HB3 -0.18 0.09 -0.06 -0.04 1.64 1.46 2ok7B1 LEU 38 HG -0.16 -0.04 -0.23 -0.04 1.64 1.17 2ok7B1 LEU 38 HD13 -0.21 -0.00 -0.14 -0.04 0.93 0.53 2ok7B1 LEU 38 HD23 -0.18 0.03 -0.17 -0.04 0.89 0.54 2ok7B1 GLU 39 H -0.11 0.52 0.25 -0.55 8.60 8.72 2ok7B1 GLU 39 HA -0.11 0.22 0.82 -0.75 4.29 4.47 2ok7B1 GLU 39 HB2 0.04 0.01 0.07 -0.04 2.09 2.16 2ok7B1 GLU 39 HB3 -0.02 -0.15 0.09 -0.04 1.99 1.87 2ok7B1 GLU 39 HG2 0.02 0.01 -0.09 -0.04 2.34 2.24 2ok7B1 GLU 39 HG3 0.11 0.02 -0.09 -0.04 2.34 2.34 2ok7B1 ILE 40 H -0.07 0.60 0.20 -0.55 8.25 8.43 2ok7B1 ILE 40 HA -0.09 0.25 1.07 -0.75 4.18 4.67 2ok7B1 ILE 40 HB -0.14 0.03 0.03 -0.04 1.89 1.77 2ok7B1 ILE 40 HG12 -0.14 0.05 -0.25 -0.04 1.49 1.10 2ok7B1 ILE 40 HG13 -0.15 -0.11 -0.68 -0.04 1.21 0.23 2ok7B1 ILE 40 HG23 -0.13 -0.00 -0.30 -0.04 0.93 0.46 2ok7B1 ILE 40 HD13 -0.19 -0.00 -0.25 -0.04 0.88 0.40 2ok7B1 ASN 41 H -0.06 0.60 0.29 -0.55 8.53 8.81 2ok7B1 ASN 41 HA -0.07 0.06 0.81 -0.75 4.76 4.80 2ok7B1 ASN 41 HB2 -0.06 -0.00 0.06 -0.04 2.88 2.84 2ok7B1 ASN 41 HB3 -0.06 0.02 0.16 -0.04 2.79 2.86 2ok7B1 ASN 41 HD21 -0.06 0.04 -0.02 -0.04 7.03 6.94 2ok7B1 ASN 41 HD22 -0.05 0.01 -0.03 -0.04 7.74 7.63 2ok7B1 HIS 42 H -0.36 0.19 0.26 -0.55 8.41 7.96 2ok7B1 HIS 42 HA -0.07 0.29 0.86 -0.75 4.63 4.95 2ok7B1 HIS 42 HB2 0.02 -0.03 0.12 -0.04 3.26 3.33 2ok7B1 HIS 42 HB3 -0.10 0.07 -0.13 -0.04 3.20 3.00 2ok7B1 HIS 42 HD2 -0.04 0.08 0.15 -0.04 6.97 7.11 2ok7B1 HIS 42 HE1 0.13 0.20 -0.02 -0.04 7.75 8.02 2ok7B1 ASN 43 H -0.17 0.07 0.01 -0.55 8.53 7.89 2ok7B1 ASN 43 HA -0.12 0.03 0.31 -0.75 4.76 4.23 2ok7B1 ASN 43 HB2 -0.02 0.13 -0.01 -0.04 2.88 2.94 2ok7B1 ASN 43 HB3 -0.02 0.04 0.23 -0.04 2.79 2.99 2ok7B1 ASN 43 HD21 -0.03 0.00 -0.03 -0.04 7.03 6.93 2ok7B1 ASN 43 HD22 -0.02 0.05 -0.03 -0.04 7.74 7.70 2ok7B1 GLY 44 H -0.51 0.00 -0.28 -0.55 8.43 7.09 2ok7B1 GLY 44 HA2 0.03 0.11 0.28 -0.51 4.01 3.92 2ok7B1 GLY 44 HA3 -0.01 0.11 0.49 -0.51 4.01 4.09 2ok7B1 LEU 45 H 0.19 0.37 -0.33 -0.55 8.37 8.06 2ok7B1 LEU 45 HA 0.12 0.12 0.45 -0.75 4.35 4.29 2ok7B1 LEU 45 HB2 0.11 0.20 0.10 -0.04 1.64 2.02 2ok7B1 LEU 45 HB3 0.18 -0.05 -0.01 -0.04 1.64 1.72 2ok7B1 LEU 45 HG 0.09 -0.03 0.01 -0.04 1.64 1.66 2ok7B1 LEU 45 HD13 0.09 -0.00 -0.00 -0.04 0.93 0.97 2ok7B1 LEU 45 HD23 0.04 0.03 -0.03 -0.04 0.89 0.89 2ok7B1 PHE 46 H 0.59 -0.00 -0.16 -0.55 8.34 8.21 2ok7B1 PHE 46 HA 0.13 0.10 0.77 -0.75 4.62 4.86 2ok7B1 PHE 46 HB2 -0.22 -0.02 -0.01 -0.04 3.15 2.86 2ok7B1 PHE 46 HB3 -0.74 -0.02 -0.01 -0.04 3.06 2.25 2ok7B1 PHE 46 HD2 -0.14 -0.00 -0.31 -0.04 7.28 6.78 2ok7B1 PHE 46 HE2 -0.09 -0.03 -0.44 -0.04 7.38 6.78 2ok7B1 PHE 46 HZ -0.12 0.15 -0.12 -0.04 7.32 7.19 2ok7B1 LYS 47 H -0.50 0.14 0.19 -0.55 8.42 7.70 2ok7B1 LYS 47 HA -0.38 0.20 0.79 -0.75 4.32 4.19 2ok7B1 LYS 47 HB2 -0.57 -0.03 0.15 -0.04 1.87 1.37 2ok7B1 LYS 47 HB3 -1.82 -0.00 0.01 -0.04 1.79 -0.07 2ok7B1 LYS 47 HG2 -0.20 0.05 -0.32 -0.04 1.46 0.95 2ok7B1 LYS 47 HG3 -0.27 0.00 -0.01 -0.04 1.46 1.14 2ok7B1 LYS 47 HD2 -0.52 -0.04 -0.03 -0.04 1.69 1.06 2ok7B1 LYS 47 HD3 -0.35 0.05 -0.09 -0.04 1.68 1.26 2ok7B1 LYS 47 HE2 -0.05 0.15 -0.06 -0.04 2.99 2.98 2ok7B1 LYS 47 HE3 -0.06 -0.05 -0.02 -0.04 2.99 2.82 2ok7B1 TYR 48 H -0.46 0.40 0.21 -0.55 8.29 7.89 2ok7B1 TYR 48 HA 0.28 0.01 0.58 -0.75 4.56 4.68 2ok7B1 TYR 48 HB2 0.28 0.03 0.06 -0.04 3.06 3.39 2ok7B1 TYR 48 HB3 0.23 0.05 -0.24 -0.04 2.98 2.97 2ok7B1 TYR 48 HD2 0.15 0.11 -0.36 -0.04 7.15 7.00 2ok7B1 TYR 48 HE2 0.02 0.09 -0.24 -0.04 6.85 6.67 2ok7B1 LEU 49 H 0.56 0.11 0.10 -0.55 8.37 8.59 2ok7B1 LEU 49 HA 0.02 0.17 0.80 -0.75 4.35 4.58 2ok7B1 LEU 49 HB2 -0.49 0.00 -0.04 -0.04 1.64 1.06 2ok7B1 LEU 49 HB3 -0.10 0.03 0.08 -0.04 1.64 1.61 2ok7B1 LEU 49 HG 0.21 -0.07 -0.12 -0.04 1.64 1.63 2ok7B1 LEU 49 HD13 -0.07 0.02 -0.04 -0.04 0.93 0.80 2ok7B1 LEU 49 HD23 0.02 0.03 0.00 -0.04 0.89 0.90 2ok7B1 GLU 50 H -0.00 0.14 0.12 -0.55 8.60 8.31 2ok7B1 GLU 50 HA 0.15 0.11 0.48 -0.75 4.29 4.27 2ok7B1 GLU 50 HB2 0.03 -0.03 0.17 -0.04 2.09 2.23 2ok7B1 GLU 50 HB3 0.27 0.05 -0.13 -0.04 1.99 2.14 2ok7B1 GLU 50 HG2 0.03 0.10 0.04 -0.04 2.34 2.48 2ok7B1 GLU 50 HG3 0.08 0.11 0.04 -0.04 2.34 2.53 2ok7B1 GLY 51 H 0.05 0.21 0.25 -0.55 8.43 8.39 2ok7B1 GLY 51 HA2 -0.13 -0.08 0.42 -0.51 4.01 3.72 2ok7B1 GLY 51 HA3 0.20 0.40 0.82 -0.51 4.01 4.93 2ok7B1 HIS 52 H 0.16 0.39 -0.14 -0.55 8.41 8.27 2ok7B1 HIS 52 HA 0.11 0.10 0.67 -0.75 4.63 4.76 2ok7B1 HIS 52 HB2 0.25 0.12 0.18 -0.04 3.26 3.77 2ok7B1 HIS 52 HB3 0.13 0.06 0.12 -0.04 3.20 3.47 2ok7B1 HIS 52 HD2 0.04 -0.04 -0.32 -0.04 6.97 6.61 2ok7B1 HIS 52 HE1 0.12 -0.04 -0.06 -0.04 7.75 7.73 2ok7B1 THR 53 H 0.15 0.50 0.33 -0.55 8.28 8.71 2ok7B1 THR 53 HA 0.04 0.15 0.98 -0.75 4.39 4.80 2ok7B1 THR 53 HB -0.01 -0.05 -0.12 -0.04 4.32 4.10 2ok7B1 THR 53 HG23 0.05 -0.00 -0.08 -0.04 1.22 1.14 2ok7B1 CYS 54 H 0.04 0.66 0.33 -0.55 8.50 8.98 2ok7B1 CYS 54 HA 0.20 0.29 0.71 -0.75 4.58 5.02 2ok7B1 CYS 54 HB2 -0.14 0.09 0.03 -0.04 2.97 2.90 2ok7B1 CYS 54 HB3 -0.12 -0.01 -0.12 -0.04 2.97 2.68 2ok7B1 GLY 55 H 0.24 0.46 0.20 -0.55 8.43 8.79 2ok7B1 GLY 55 HA2 0.07 0.28 0.82 -0.51 4.01 4.66 2ok7B1 GLY 55 HA3 0.12 -0.02 0.21 -0.51 4.01 3.80 2ok7B1 ILE 56 H 0.14 0.49 0.29 -0.55 8.25 8.62 2ok7B1 ILE 56 HA 0.04 0.30 0.84 -0.75 4.18 4.60 2ok7B1 ILE 56 HB 0.21 -0.03 0.08 -0.04 1.89 2.11 2ok7B1 ILE 56 HG12 -0.02 0.04 -0.20 -0.04 1.49 1.27 2ok7B1 ILE 56 HG13 0.08 -0.04 -0.46 -0.04 1.21 0.75 2ok7B1 ILE 56 HG23 0.11 -0.02 -0.24 -0.04 0.93 0.75 2ok7B1 ILE 56 HD13 -0.14 -0.01 -0.16 -0.04 0.88 0.52 2ok7B1 ILE 57 H 0.00 0.69 0.16 -0.55 8.25 8.56 2ok7B1 ILE 57 HA -0.00 0.16 0.81 -0.75 4.18 4.40 2ok7B1 ILE 57 HB -0.06 0.00 0.06 -0.04 1.89 1.85 2ok7B1 ILE 57 HG12 0.02 -0.08 -0.23 -0.04 1.49 1.16 2ok7B1 ILE 57 HG13 -0.00 -0.03 -0.32 -0.04 1.21 0.81 2ok7B1 ILE 57 HG23 0.10 0.02 -0.18 -0.04 0.93 0.82 2ok7B1 ILE 57 HD13 -0.10 0.01 -0.15 -0.04 0.88 0.60 2ok7B1 PRO 58 HA -1.95 -0.01 0.42 -0.51 4.44 2.40 2ok7B1 PRO 58 HB2 -0.53 0.08 -0.02 -0.04 2.28 1.77 2ok7B1 PRO 58 HB3 -0.84 0.01 0.08 -0.04 2.02 1.23 2ok7B1 PRO 58 HG2 -0.03 0.00 0.04 -0.04 2.03 2.01 2ok7B1 PRO 58 HG3 -0.13 -0.05 0.05 -0.04 2.03 1.86 2ok7B1 PRO 58 HD2 0.09 0.10 0.15 -0.04 3.68 3.98 2ok7B1 PRO 58 HD3 -0.00 0.35 0.19 -0.04 3.65 4.15 2ok7B1 TYR 59 H -1.61 0.10 0.16 -0.55 8.29 6.40 2ok7B1 TYR 59 HA -0.07 0.04 0.29 -0.75 4.56 4.07 2ok7B1 TYR 59 HB2 -0.08 0.14 -0.05 -0.04 3.06 3.03 2ok7B1 TYR 59 HB3 -0.03 0.01 0.11 -0.04 2.98 3.03 2ok7B1 TYR 59 HD2 -0.14 0.06 -0.13 -0.04 7.15 6.89 2ok7B1 TYR 59 HE2 -0.23 0.05 -0.02 -0.04 6.85 6.61 2ok7B1 TYR 60 H -0.03 0.12 -0.27 -0.55 8.29 7.56 2ok7B1 TYR 60 HA -0.14 0.09 0.49 -0.75 4.56 4.24 2ok7B1 TYR 60 HB2 -0.20 0.03 -0.05 -0.04 3.06 2.81 2ok7B1 TYR 60 HB3 -0.52 -0.07 -0.01 -0.04 2.98 2.34 2ok7B1 TYR 60 HD2 -0.96 -0.06 -0.18 -0.04 7.15 5.91 2ok7B1 TYR 60 HE2 -0.19 -0.00 -0.05 -0.04 6.85 6.56 2ok7B1 ASN 61 H -0.69 0.16 0.04 -0.55 8.53 7.50 2ok7B1 ASN 61 HA -0.08 0.22 0.65 -0.75 4.76 4.79 2ok7B1 ASN 61 HB2 -0.11 0.15 -0.04 -0.04 2.88 2.85 2ok7B1 ASN 61 HB3 -0.17 0.00 0.35 -0.04 2.79 2.93 2ok7B1 ASN 61 HD21 0.01 -0.04 -0.01 -0.04 7.03 6.95 2ok7B1 ASN 61 HD22 0.01 0.06 -0.08 -0.04 7.74 7.70 2ok7B1 LYS 95 HA -0.04 -0.06 0.20 -0.75 4.32 3.67 2ok7B1 LYS 95 HB2 -0.02 0.01 -0.08 -0.04 1.87 1.74 2ok7B1 LYS 95 HB3 -0.02 -0.06 0.02 -0.04 1.79 1.69 2ok7B1 LYS 95 HG2 -0.03 0.00 0.05 -0.04 1.46 1.44 2ok7B1 LYS 95 HG3 -0.03 0.02 0.02 -0.04 1.46 1.42 2ok7B1 LYS 95 HD2 -0.02 0.01 0.01 -0.04 1.69 1.64 2ok7B1 LYS 95 HD3 -0.02 -0.00 -0.00 -0.04 1.68 1.61 2ok7B1 LYS 95 HE2 -0.02 -0.02 0.03 -0.04 2.99 2.94 2ok7B1 LYS 95 HE3 -0.02 0.01 0.02 -0.04 2.99 2.95 2ok7B1 LYS 96 H -0.02 0.09 0.05 -0.55 8.42 7.97 2ok7B1 LYS 96 HA -0.02 0.07 0.29 -0.75 4.32 3.90 2ok7B1 GLN 97 H 0.00 0.52 0.25 -0.55 8.47 8.70 2ok7B1 GLN 97 HA -0.01 0.05 0.62 -0.75 4.36 4.26 2ok7B1 GLN 97 HB2 -0.02 -0.02 -0.40 -0.04 2.15 1.68 2ok7B1 GLN 97 HB3 0.03 0.06 0.08 -0.04 2.02 2.16 2ok7B1 GLN 97 HG2 -0.10 -0.03 -0.06 -0.04 2.40 2.17 2ok7B1 GLN 97 HG3 -0.07 0.00 -0.01 -0.04 2.39 2.28 2ok7B1 GLN 97 HE21 -0.76 -0.04 -0.02 -0.04 6.97 6.11 2ok7B1 GLN 97 HE22 -0.47 -0.02 -0.05 -0.04 7.69 7.11 2ok7B1 ARG 98 H 0.03 0.14 0.01 -0.55 8.46 8.09 2ok7B1 ARG 98 HA 0.11 0.21 0.78 -0.75 4.34 4.69 2ok7B1 CYS 99 H 0.15 0.30 0.06 -0.55 8.50 8.45 2ok7B1 CYS 99 HA 0.03 0.12 0.86 -0.75 4.58 4.83 2ok7B1 CYS 99 HB2 0.08 0.01 0.12 -0.04 2.97 3.13 2ok7B1 CYS 99 HB3 -0.02 -0.01 -0.02 -0.04 2.97 2.87 2ok7B1 ALA 100 H 0.02 0.12 0.12 -0.55 8.40 8.12 2ok7B1 ALA 100 HA 0.05 0.30 0.40 -0.75 4.34 4.33 2ok7B1 ALA 100 HB3 0.01 -0.02 -0.08 -0.04 1.41 1.28 2ok7B1 ARG 101 H 0.05 0.44 0.34 -0.55 8.46 8.74 2ok7B1 ARG 101 HA -0.12 0.11 0.93 -0.75 4.34 4.51 2ok7B1 ARG 101 HB2 0.16 0.05 0.19 -0.04 1.90 2.25 2ok7B1 ARG 101 HB3 -0.26 0.04 -0.01 -0.04 1.80 1.52 2ok7B1 ARG 101 HG2 0.08 -0.11 0.06 -0.04 1.67 1.65 2ok7B1 ARG 101 HG3 -0.06 0.02 0.11 -0.04 1.67 1.71 2ok7B1 ARG 101 HD2 0.08 0.14 -0.47 -0.04 3.22 2.93 2ok7B1 ARG 101 HD3 0.19 -0.04 0.02 -0.04 3.22 3.35 2ok7B1 LEU 102 H -0.30 0.11 0.17 -0.55 8.37 7.80 2ok7B1 LEU 102 HA -0.14 0.27 0.58 -0.75 4.35 4.30 2ok7B1 LEU 102 HB2 -0.28 -0.05 0.06 -0.04 1.64 1.34 2ok7B1 LEU 102 HB3 -0.16 0.01 -0.05 -0.04 1.64 1.41 2ok7B1 LEU 102 HG -0.20 -0.03 0.00 -0.04 1.64 1.37 2ok7B1 LEU 102 HD13 -0.17 0.00 -0.04 -0.04 0.93 0.68 2ok7B1 LEU 102 HD23 -0.28 0.00 -0.22 -0.04 0.89 0.36 2ok7B1 TYR 103 H -0.03 0.75 0.40 -0.55 8.29 8.86 2ok7B1 TYR 103 HA -0.13 0.04 0.77 -0.75 4.56 4.49 2ok7B1 TYR 103 HB2 -0.07 0.04 0.02 -0.04 3.06 3.02 2ok7B1 TYR 103 HB3 -0.06 -0.02 0.01 -0.04 2.98 2.86 2ok7B1 TYR 103 HD2 -0.04 0.03 -0.00 -0.04 7.15 7.09 2ok7B1 TYR 103 HE2 0.03 -0.04 0.00 -0.04 6.85 6.79 2ok7B1 SER 104 H -0.01 0.10 0.15 -0.55 8.46 8.16 2ok7B1 SER 104 HA -0.02 0.13 0.55 -0.75 4.49 4.40 2ok7B1 SER 104 HB2 -0.01 -0.07 0.10 -0.04 3.95 3.93 2ok7B1 SER 104 HB3 -0.06 0.10 -0.12 -0.04 3.93 3.81 2ok7B1 ILE 105 H -0.04 0.58 0.30 -0.55 8.25 8.55 2ok7B1 ILE 105 HA -0.13 0.22 0.78 -0.75 4.18 4.30 2ok7B1 ILE 105 HB -0.13 0.06 0.17 -0.04 1.89 1.94 2ok7B1 ILE 105 HG12 -0.32 -0.01 -0.08 -0.04 1.49 1.04 2ok7B1 ILE 105 HG13 -0.12 -0.01 -0.03 -0.04 1.21 1.01 2ok7B1 ILE 105 HG23 -0.53 -0.03 -0.02 -0.04 0.93 0.31 2ok7B1 ILE 105 HD13 -0.42 -0.00 -0.22 -0.04 0.88 0.20 2ok7B1 SER 106 H -0.07 0.47 0.06 -0.55 8.46 8.37 2ok7B1 SER 106 HA -0.16 0.33 0.76 -0.75 4.49 4.67 2ok7B1 SER 106 HB2 -0.46 -0.04 0.07 -0.04 3.95 3.47 2ok7B1 SER 106 HB3 -0.05 -0.07 -0.05 -0.04 3.93 3.72 2ok7B1 SER 107 H -0.04 0.13 -0.19 -0.55 8.46 7.82 2ok7B1 SER 107 HA 0.01 0.19 0.87 -0.75 4.49 4.81 2ok7B1 SER 107 HB2 0.12 0.15 0.16 -0.04 3.95 4.34 2ok7B1 SER 107 HB3 0.06 -0.06 0.01 -0.04 3.93 3.90 2ok7B1 SER 108 H 0.11 0.09 0.13 -0.55 8.46 8.25 2ok7B1 SER 108 HA 0.09 0.17 0.68 -0.75 4.49 4.68 2ok7B1 SER 108 HB2 0.08 0.03 -0.09 -0.04 3.95 3.93 2ok7B1 SER 108 HB3 0.10 -0.03 0.05 -0.04 3.93 4.00 2ok7B1 ASN 109 H -0.02 0.14 0.11 -0.55 8.53 8.22 2ok7B1 ASN 109 HA -0.26 0.16 0.44 -0.75 4.76 4.35 2ok7B1 ASN 109 HB2 -0.07 -0.07 0.13 -0.04 2.88 2.83 2ok7B1 ASN 109 HB3 -0.10 0.06 -0.05 -0.04 2.79 2.65 2ok7B1 ASN 109 HD21 -1.08 0.64 0.09 -0.04 7.03 6.64 2ok7B1 ASN 109 HD22 -1.02 -0.01 0.02 -0.04 7.74 6.68 2ok7B1 ASN 110 H 0.02 -0.01 -0.24 -0.55 8.53 7.76 2ok7B1 ASN 110 HA 0.01 0.14 0.45 -0.75 4.76 4.61 2ok7B1 ASN 110 HB2 0.03 0.01 -0.01 -0.04 2.88 2.87 2ok7B1 ASN 110 HB3 0.02 0.02 0.04 -0.04 2.79 2.82 2ok7B1 ASN 110 HD21 0.08 0.11 -0.05 -0.04 7.03 7.12 2ok7B1 ASN 110 HD22 0.05 -0.02 -0.28 -0.04 7.74 7.45 2ok7B1 MET 111 H 0.08 0.05 -0.33 -0.55 8.47 7.72 2ok7B1 MET 111 HA 0.05 -0.04 0.52 -0.75 4.52 4.30 2ok7B1 MET 111 HB2 0.12 0.19 0.12 -0.04 2.15 2.54 2ok7B1 MET 111 HB3 0.09 -0.06 0.05 -0.04 2.03 2.07 2ok7B1 MET 111 HG2 0.08 0.00 0.03 -0.04 2.63 2.70 2ok7B1 MET 111 HG3 0.09 -0.05 0.01 -0.04 2.56 2.57 2ok7B1 MET 111 HE3 0.14 -0.01 -0.02 -0.04 2.10 2.16 2ok7B1 GLU 112 H 0.03 0.04 0.17 -0.55 8.60 8.29 2ok7B1 GLU 112 HA -0.00 0.13 0.30 -0.75 4.29 3.97 2ok7B1 ASN 113 H 0.03 -0.02 -0.09 -0.55 8.53 7.91 2ok7B1 ASN 113 HA 0.04 0.15 0.90 -0.75 4.76 5.09 2ok7B1 ASN 113 HB2 0.03 -0.06 -0.06 -0.04 2.88 2.75 2ok7B1 ASN 113 HB3 0.01 -0.00 -0.13 -0.04 2.79 2.63 2ok7B1 ASN 113 HD21 -0.02 0.03 -0.09 -0.04 7.03 6.91 2ok7B1 ASN 113 HD22 -0.00 -0.01 -0.11 -0.04 7.74 7.57 2ok7B1 LEU 114 H 0.13 0.51 0.28 -0.55 8.37 8.74 2ok7B1 LEU 114 HA 0.06 0.20 0.93 -0.75 4.35 4.79 2ok7B1 LEU 114 HB2 -0.31 -0.04 0.03 -0.04 1.64 1.28 2ok7B1 LEU 114 HB3 -0.04 0.12 -0.07 -0.04 1.64 1.61 2ok7B1 LEU 114 HG -0.19 0.02 0.01 -0.04 1.64 1.43 2ok7B1 LEU 114 HD13 -0.38 -0.01 -0.30 -0.04 0.93 0.20 2ok7B1 LEU 114 HD23 -0.81 0.01 -0.14 -0.04 0.89 -0.08 2ok7B1 SER 115 H -0.07 0.10 0.14 -0.55 8.46 8.10 2ok7B1 SER 115 HA -0.19 0.45 0.96 -0.75 4.49 4.95 2ok7B1 SER 115 HB2 0.02 -0.09 -0.24 -0.04 3.95 3.60 2ok7B1 SER 115 HB3 0.16 0.02 -0.09 -0.04 3.93 3.97 2ok7B1 VAL 116 H -0.27 0.43 0.35 -0.55 8.24 8.20 2ok7B1 VAL 116 HA -0.03 0.23 0.71 -0.75 4.13 4.28 2ok7B1 VAL 116 HB -0.17 0.03 -0.39 -0.04 2.12 1.55 2ok7B1 VAL 116 HG13 -0.20 -0.00 -0.17 -0.04 0.97 0.56 2ok7B1 VAL 116 HG23 -0.05 0.02 -0.12 -0.04 0.95 0.76 2ok7B1 ALA 117 H 0.04 0.30 0.15 -0.55 8.40 8.35 2ok7B1 ALA 117 HA 0.03 0.31 1.00 -0.75 4.34 4.92 2ok7B1 ALA 117 HB3 0.16 -0.01 -0.02 -0.04 1.41 1.50 2ok7B1 ILE 118 H -0.01 0.64 0.21 -0.55 8.25 8.55 2ok7B1 ILE 118 HA 0.04 0.13 0.98 -0.75 4.18 4.58 2ok7B1 ILE 118 HB -0.10 0.04 0.08 -0.04 1.89 1.86 2ok7B1 ILE 118 HG12 -1.15 0.03 -0.14 -0.04 1.49 0.20 2ok7B1 ILE 118 HG13 -0.30 -0.16 -0.51 -0.04 1.21 0.20 2ok7B1 ILE 118 HG23 -0.07 0.01 -0.21 -0.04 0.93 0.61 2ok7B1 ILE 118 HD13 -0.44 0.02 -0.15 -0.04 0.88 0.26 2ok7B1 LYS 119 H 0.12 0.13 0.21 -0.55 8.42 8.32 2ok7B1 LYS 119 HA -0.03 0.12 0.75 -0.75 4.32 4.41 2ok7B1 LYS 119 HB2 0.05 -0.07 0.13 -0.04 1.87 1.94 2ok7B1 LYS 119 HB3 0.07 -0.02 0.15 -0.04 1.79 1.95 2ok7B1 LYS 119 HG2 -0.42 0.07 -0.28 -0.04 1.46 0.79 2ok7B1 LYS 119 HG3 -0.12 -0.01 -0.00 -0.04 1.46 1.29 2ok7B1 LYS 119 HD2 -0.02 -0.07 0.02 -0.04 1.69 1.58 2ok7B1 LYS 119 HD3 -0.04 -0.03 0.01 -0.04 1.68 1.59 2ok7B1 LYS 119 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.91 2ok7B1 LYS 119 HE3 -0.49 0.03 -0.04 -0.04 2.99 2.44 2ok7B1 ILE 120 H -0.03 0.81 0.43 -0.55 8.25 8.92 2ok7B1 ILE 120 HA 0.16 0.02 0.92 -0.75 4.18 4.52 2ok7B1 ILE 120 HB 0.09 0.02 0.20 -0.04 1.89 2.15 2ok7B1 ILE 120 HG12 0.09 0.04 -0.02 -0.04 1.49 1.55 2ok7B1 ILE 120 HG13 0.27 0.03 -0.06 -0.04 1.21 1.41 2ok7B1 ILE 120 HG23 0.24 0.01 -0.13 -0.04 0.93 1.01 2ok7B1 ILE 120 HD13 0.12 0.07 -0.13 -0.04 0.88 0.89 2ok7B1 HIS 121 H 0.33 0.06 0.17 -0.55 8.41 8.43 2ok7B1 HIS 121 HA 0.12 0.11 0.65 -0.75 4.63 4.76 2ok7B1 HIS 121 HB2 0.18 -0.15 0.20 -0.04 3.26 3.46 2ok7B1 HIS 121 HB3 0.16 0.09 -0.01 -0.04 3.20 3.39 2ok7B1 HIS 121 HD2 0.16 0.09 0.02 -0.04 6.97 7.20 2ok7B1 HIS 121 HE1 0.13 -0.01 0.01 -0.04 7.75 7.83 2ok7B1 LYS 122 H 0.12 0.18 0.25 -0.55 8.42 8.41 2ok7B1 LYS 122 HA -0.06 0.39 1.11 -0.75 4.32 5.00 2ok7B1 LYS 122 HB2 -0.01 -0.05 0.11 -0.04 1.87 1.87 2ok7B1 LYS 122 HB3 -0.12 0.04 -0.01 -0.04 1.79 1.67 2ok7B1 LYS 122 HG2 -0.46 0.11 -0.11 -0.04 1.46 0.96 2ok7B1 LYS 122 HG3 0.03 -0.04 -0.23 -0.04 1.46 1.19 2ok7B1 LYS 122 HD2 -0.18 0.03 -0.04 -0.04 1.69 1.45 2ok7B1 LYS 122 HD3 -0.05 0.01 -0.08 -0.04 1.68 1.52 2ok7B1 LYS 122 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.90 2ok7B1 LYS 122 HE3 -0.04 -0.04 -0.02 -0.04 2.99 2.85 2ok7B1 TYR 123 H -0.26 0.72 0.32 -0.55 8.29 8.53 2ok7B1 TYR 123 HA -0.01 0.09 0.45 -0.75 4.56 4.34 2ok7B1 TYR 123 HB2 0.01 -0.09 0.13 -0.04 3.06 3.07 2ok7B1 TYR 123 HB3 0.02 0.06 -0.03 -0.04 2.98 2.99 2ok7B1 TYR 123 HD2 0.02 -0.06 -0.30 -0.04 7.15 6.78 2ok7B1 TYR 123 HE2 0.05 0.04 -0.35 -0.04 6.85 6.55 2ok7B1 GLU 124 H 0.12 0.10 0.09 -0.55 8.60 8.36 2ok7B1 GLU 124 HA -0.12 0.17 0.53 -0.75 4.29 4.12 2ok7B1 GLU 124 HB2 -0.04 0.06 -0.02 -0.04 2.09 2.05 2ok7B1 GLU 124 HB3 -0.09 0.14 0.25 -0.04 1.99 2.25 2ok7B1 GLU 124 HG2 0.01 -0.10 0.01 -0.04 2.34 2.22 2ok7B1 GLU 124 HG3 0.00 0.02 0.02 -0.04 2.34 2.33 2ok7B1 THR 133 HA -0.22 -0.04 0.45 -0.75 4.39 3.83 2ok7B1 THR 133 HB -0.42 0.01 -0.08 -0.04 4.32 3.80 2ok7B1 THR 133 HG23 -0.11 -0.02 0.03 -0.04 1.22 1.08 2ok7B1 ASN 134 H -0.47 0.72 0.28 -0.55 8.53 8.52 2ok7B1 ASN 134 HA -0.29 0.16 0.85 -0.75 4.76 4.73 2ok7B1 ASN 134 HB2 -1.22 -0.01 -0.13 -0.04 2.88 1.48 2ok7B1 ASN 134 HB3 -1.14 -0.01 -0.10 -0.04 2.79 1.50 2ok7B1 ASN 134 HD21 -0.07 0.01 -0.11 -0.04 7.03 6.81 2ok7B1 ASN 134 HD22 -0.23 -0.05 -0.24 -0.04 7.74 7.18 2ok7B1 TYR 135 H 0.04 0.19 0.15 -0.55 8.29 8.12 2ok7B1 TYR 135 HA 0.08 0.34 1.06 -0.75 4.56 5.29 2ok7B1 TYR 135 HB2 0.08 -0.01 0.04 -0.04 3.06 3.13 2ok7B1 TYR 135 HB3 0.11 -0.08 -0.04 -0.04 2.98 2.93 2ok7B1 TYR 135 HD2 0.04 -0.01 -0.11 -0.04 7.15 7.02 2ok7B1 TYR 135 HE2 0.01 0.02 -0.11 -0.04 6.85 6.73 2ok7B1 GLY 136 H 0.37 0.39 0.21 -0.55 8.43 8.85 2ok7B1 GLY 136 HA2 0.30 0.11 0.56 -0.51 4.01 4.47 2ok7B1 GLY 136 HA3 0.27 -0.07 0.37 -0.51 4.01 4.07 2ok7B1 TYR 137 H 0.30 0.14 0.16 -0.55 8.29 8.34 2ok7B1 TYR 137 HA 0.21 0.18 0.33 -0.75 4.56 4.53 2ok7B1 TYR 137 HB2 0.11 0.05 0.14 -0.04 3.06 3.32 2ok7B1 TYR 137 HB3 0.10 -0.08 0.20 -0.04 2.98 3.15 2ok7B1 TYR 137 HD2 0.11 -0.02 0.01 -0.04 7.15 7.20 2ok7B1 TYR 137 HE2 0.05 0.05 0.02 -0.04 6.85 6.93 2ok7B1 CYS 138 H 0.24 0.09 0.06 -0.55 8.50 8.35 2ok7B1 CYS 138 HA -0.05 0.15 0.59 -0.75 4.58 4.52 2ok7B1 CYS 138 HB2 0.20 0.08 0.14 -0.04 2.97 3.35 2ok7B1 CYS 138 HB3 0.25 -0.04 0.06 -0.04 2.97 3.20 2ok7B1 SER 139 H 0.20 -0.02 -0.26 -0.55 8.46 7.83 2ok7B1 SER 139 HA 0.11 0.09 0.37 -0.75 4.49 4.32 2ok7B1 SER 139 HB2 0.29 0.06 0.13 -0.04 3.95 4.38 2ok7B1 SER 139 HB3 0.26 0.04 0.15 -0.04 3.93 4.33 2ok7B1 GLY 140 H 0.13 0.52 -0.37 -0.55 8.43 8.17 2ok7B1 GLY 140 HA2 -0.29 0.06 0.47 -0.51 4.01 3.74 2ok7B1 GLY 140 HA3 0.06 0.13 0.24 -0.51 4.01 3.92 2ok7B1 PHE 141 H 0.04 0.26 -0.19 -0.55 8.34 7.89 2ok7B1 PHE 141 HA -0.39 0.08 0.50 -0.75 4.62 4.07 2ok7B1 PHE 141 HB2 -1.26 0.02 0.14 -0.04 3.15 2.01 2ok7B1 PHE 141 HB3 -0.41 0.13 0.24 -0.04 3.06 2.98 2ok7B1 PHE 141 HD2 -0.55 0.05 0.00 -0.04 7.28 6.74 2ok7B1 PHE 141 HE2 -0.16 0.04 -0.04 -0.04 7.38 7.19 2ok7B1 PHE 141 HZ -0.09 0.10 0.05 -0.04 7.32 7.34 2ok7B1 ILE 142 H -0.14 0.39 -0.19 -0.55 8.25 7.75 2ok7B1 ILE 142 HA -0.59 0.08 0.45 -0.75 4.18 3.36 2ok7B1 ILE 142 HB -0.12 0.04 0.02 -0.04 1.89 1.79 2ok7B1 ILE 142 HG12 -0.25 -0.02 -0.09 -0.04 1.49 1.09 2ok7B1 ILE 142 HG13 -0.27 -0.02 -0.13 -0.04 1.21 0.74 2ok7B1 ILE 142 HG23 -0.20 -0.01 -0.15 -0.04 0.93 0.53 2ok7B1 ILE 142 HD13 -0.11 0.03 -0.15 -0.04 0.88 0.60 2ok7B1 LYS 143 H -0.21 0.34 -0.21 -0.55 8.42 7.79 2ok7B1 LYS 143 HA -0.22 -0.02 0.37 -0.75 4.32 3.69 2ok7B1 LYS 143 HB2 -0.38 0.07 0.24 -0.04 1.87 1.76 2ok7B1 LYS 143 HB3 -0.38 0.07 0.00 -0.04 1.79 1.45 2ok7B1 LYS 143 HG2 -0.05 -0.06 0.03 -0.04 1.46 1.33 2ok7B1 LYS 143 HG3 -0.72 -0.04 -0.03 -0.04 1.46 0.64 2ok7B1 LYS 143 HD2 -0.25 0.02 -0.07 -0.04 1.69 1.34 2ok7B1 LYS 143 HD3 -0.12 0.03 -0.03 -0.04 1.68 1.52 2ok7B1 LYS 143 HE2 0.12 -0.04 -0.03 -0.04 2.99 3.00 2ok7B1 LYS 143 HE3 0.15 -0.00 -0.05 -0.04 2.99 3.04 2ok7B1 ASN 144 H -0.26 0.32 -0.42 -0.55 8.53 7.63 2ok7B1 ASN 144 HA -0.17 0.10 0.45 -0.75 4.76 4.38 2ok7B1 ASN 144 HB2 -0.10 0.06 0.05 -0.04 2.88 2.84 2ok7B1 ASN 144 HB3 -0.07 -0.07 0.09 -0.04 2.79 2.70 2ok7B1 ASN 144 HD21 -0.02 -0.10 -0.01 -0.04 7.03 6.85 2ok7B1 ASN 144 HD22 0.06 -0.03 -0.02 -0.04 7.74 7.71 2ok7B1 LEU 145 H -0.40 0.22 -0.54 -0.55 8.37 7.11 2ok7B1 LEU 145 HA -0.33 -0.05 0.39 -0.75 4.35 3.61 2ok7B1 LEU 145 HB2 -0.45 0.23 0.14 -0.04 1.64 1.52 2ok7B1 LEU 145 HB3 -0.33 -0.05 -0.12 -0.04 1.64 1.09 2ok7B1 LEU 145 HG -1.07 0.17 -0.00 -0.04 1.64 0.69 2ok7B1 LEU 145 HD13 -0.43 -0.05 -0.08 -0.04 0.93 0.33 2ok7B1 LEU 145 HD23 -0.40 -0.01 -0.04 -0.04 0.89 0.40 2ok7B1 LYS 146 H -0.16 0.08 0.22 -0.55 8.42 8.00 2ok7B1 LYS 146 HA -0.13 0.15 0.83 -0.75 4.32 4.41 2ok7B1 LYS 146 HB2 -0.08 -0.04 0.11 -0.04 1.87 1.81 2ok7B1 LYS 146 HB3 -0.07 0.06 0.07 -0.04 1.79 1.81 2ok7B1 LYS 146 HG2 -0.08 -0.03 0.04 -0.04 1.46 1.34 2ok7B1 LYS 146 HG3 -0.10 0.20 -0.06 -0.04 1.46 1.46 2ok7B1 LYS 146 HD2 -0.05 -0.02 0.03 -0.04 1.69 1.61 2ok7B1 LYS 146 HD3 -0.04 -0.03 0.02 -0.04 1.68 1.59 2ok7B1 LYS 146 HE2 -0.03 -0.05 0.01 -0.04 2.99 2.88 2ok7B1 LYS 146 HE3 -0.05 -0.02 0.01 -0.04 2.99 2.89 2ok7B1 ILE 147 H -0.09 0.12 0.11 -0.55 8.25 7.85 2ok7B1 ILE 147 HA -0.09 0.02 0.47 -0.75 4.18 3.84 2ok7B1 ILE 147 HB -0.06 -0.03 0.16 -0.04 1.89 1.92 2ok7B1 ILE 147 HG12 -0.04 0.02 0.04 -0.04 1.49 1.46 2ok7B1 ILE 147 HG13 -0.06 0.12 -0.24 -0.04 1.21 0.99 2ok7B1 ILE 147 HG23 -0.04 0.01 -0.05 -0.04 0.93 0.80 2ok7B1 ILE 147 HD13 -0.08 -0.07 -0.11 -0.04 0.88 0.58 2ok7B1 ASN 148 H -0.07 0.51 0.27 -0.55 8.53 8.70 2ok7B1 ASN 148 HA -0.06 0.04 0.38 -0.75 4.76 4.38 2ok7B1 ASN 148 HB2 -0.04 -0.05 -0.10 -0.04 2.88 2.65 2ok7B1 ASN 148 HB3 -0.04 0.11 0.17 -0.04 2.79 2.99 2ok7B1 ASN 148 HD21 -0.03 -0.04 0.04 -0.04 7.03 6.97 2ok7B1 ASN 148 HD22 -0.03 0.02 0.05 -0.04 7.74 7.75 2ok7B1 ASP 149 H -0.08 0.41 -0.25 -0.55 8.40 7.93 2ok7B1 ASP 149 HA -0.03 0.06 0.64 -0.75 4.63 4.54 2ok7B1 ASP 149 HB2 -0.12 0.09 0.12 -0.04 2.71 2.76 2ok7B1 ASP 149 HB3 -0.05 0.11 0.07 -0.04 2.70 2.79 2ok7B1 ASP 150 H 0.01 0.08 0.18 -0.55 8.40 8.13 2ok7B1 ASP 150 HA -0.13 0.26 0.76 -0.75 4.63 4.77 2ok7B1 ASP 150 HB2 0.13 -0.03 0.12 -0.04 2.71 2.89 2ok7B1 ASP 150 HB3 -0.21 0.00 -0.02 -0.04 2.70 2.43 2ok7B1 ILE 151 H -0.27 0.66 0.29 -0.55 8.25 8.38 2ok7B1 ILE 151 HA 0.15 0.09 0.58 -0.75 4.18 4.24 2ok7B1 ILE 151 HB -0.04 0.07 -0.28 -0.04 1.89 1.60 2ok7B1 ILE 151 HG12 -0.01 -0.02 -0.25 -0.04 1.49 1.18 2ok7B1 ILE 151 HG13 0.22 -0.02 -0.01 -0.04 1.21 1.36 2ok7B1 ILE 151 HG23 -0.13 0.01 -0.30 -0.04 0.93 0.46 2ok7B1 ILE 151 HD13 -0.05 -0.01 -0.16 -0.04 0.88 0.62 2ok7B1 TYR 152 H 0.16 0.19 0.08 -0.55 8.29 8.18 2ok7B1 TYR 152 HA -0.12 0.36 0.88 -0.75 4.56 4.92 2ok7B1 TYR 152 HB2 -0.18 0.01 0.10 -0.04 3.06 2.94 2ok7B1 TYR 152 HB3 -0.37 0.03 -0.15 -0.04 2.98 2.45 2ok7B1 TYR 152 HD2 -0.07 0.01 -0.24 -0.04 7.15 6.81 2ok7B1 TYR 152 HE2 0.11 0.04 -0.12 -0.04 6.85 6.84 2ok7B1 LEU 153 H -0.09 0.60 0.28 -0.55 8.37 8.61 2ok7B1 LEU 153 HA -0.02 0.32 0.82 -0.75 4.35 4.71 2ok7B1 LEU 153 HB2 -0.19 0.04 0.08 -0.04 1.64 1.53 2ok7B1 LEU 153 HB3 -0.18 0.04 -0.10 -0.04 1.64 1.35 2ok7B1 LEU 153 HG -0.57 -0.03 -0.15 -0.04 1.64 0.85 2ok7B1 LEU 153 HD13 -0.24 0.01 -0.19 -0.04 0.93 0.47 2ok7B1 LEU 153 HD23 -0.19 -0.01 -0.32 -0.04 0.89 0.33 2ok7B1 THR 154 H 0.12 0.55 0.29 -0.55 8.28 8.68 2ok7B1 THR 154 HA 0.19 0.17 0.83 -0.75 4.39 4.83 2ok7B1 THR 154 HB 0.22 0.11 -0.06 -0.04 4.32 4.54 2ok7B1 THR 154 HG23 0.08 0.04 -0.40 -0.04 1.22 0.89 2ok7B1 GLY 155 H 0.15 0.52 0.33 -0.55 8.43 8.88 2ok7B1 GLY 155 HA2 -0.34 0.07 0.27 -0.51 4.01 3.50 2ok7B1 GLY 155 HA3 -0.17 -0.36 0.52 -0.51 4.01 3.49 2ok7B1 ALA 156 H -0.43 0.24 0.30 -0.55 8.40 7.96 2ok7B1 ALA 156 HA -0.18 0.14 0.36 -0.75 4.34 3.91 2ok7B1 ALA 156 HB3 -0.32 0.08 0.07 -0.04 1.41 1.20 2ok7B1 HIS 157 H -0.17 0.54 0.39 -0.55 8.41 8.62 2ok7B1 HIS 157 HA -0.22 0.11 0.93 -0.75 4.63 4.70 2ok7B1 HIS 157 HB2 -0.06 -0.08 -0.04 -0.04 3.26 3.04 2ok7B1 HIS 157 HB3 -0.08 -0.08 0.05 -0.04 3.20 3.04 2ok7B1 HIS 157 HD2 0.01 -0.20 -0.31 -0.04 6.97 6.43 2ok7B1 HIS 157 HE1 -0.00 -0.08 -0.03 -0.04 7.75 7.59 2ok7B1 GLY 158 H -0.25 0.13 0.14 -0.55 8.43 7.90 2ok7B1 GLY 158 HA2 -0.12 0.02 0.37 -0.51 4.01 3.77 2ok7B1 GLY 158 HA3 0.05 0.09 0.54 -0.51 4.01 4.19 2ok7B1 TYR 159 H 0.26 0.10 0.18 -0.55 8.29 8.28 2ok7B1 TYR 159 HA 0.25 0.22 0.74 -0.75 4.56 5.01 2ok7B1 TYR 159 HB2 0.18 0.01 0.07 -0.04 3.06 3.28 2ok7B1 TYR 159 HB3 0.16 0.06 0.17 -0.04 2.98 3.33 2ok7B1 TYR 159 HD2 0.13 0.01 -0.02 -0.04 7.15 7.23 2ok7B1 TYR 159 HE2 0.07 0.01 -0.02 -0.04 6.85 6.87 2ok7B1 PHE 160 H 0.40 0.03 -0.01 -0.55 8.34 8.21 2ok7B1 PHE 160 HA 0.28 0.11 0.42 -0.75 4.62 4.67 2ok7B1 PHE 160 HB2 0.18 -0.13 0.12 -0.04 3.15 3.28 2ok7B1 PHE 160 HB3 0.14 0.22 0.23 -0.04 3.06 3.61 2ok7B1 PHE 160 HD2 0.14 0.01 -0.06 -0.04 7.28 7.34 2ok7B1 PHE 160 HE2 0.06 -0.02 -0.31 -0.04 7.38 7.07 2ok7B1 PHE 160 HZ 0.51 -0.10 -0.39 -0.04 7.32 7.29 2ok7B1 ASN 161 H 0.11 0.49 0.12 -0.55 8.53 8.72 2ok7B1 ASN 161 HA 0.05 0.31 0.88 -0.75 4.76 5.24 2ok7B1 ASN 161 HB2 0.02 0.02 -0.10 -0.04 2.88 2.78 2ok7B1 ASN 161 HB3 -0.08 0.03 -0.01 -0.04 2.79 2.69 2ok7B1 ASN 161 HD21 0.01 0.05 -0.24 -0.04 7.03 6.80 2ok7B1 ASN 161 HD22 0.13 0.06 -0.15 -0.04 7.74 7.75 2ok7B1 LEU 162 H -0.36 0.15 0.13 -0.55 8.37 7.74 2ok7B1 LEU 162 HA -0.34 0.12 0.55 -0.75 4.35 3.93 2ok7B1 LEU 162 HB2 -0.27 -0.08 0.09 -0.04 1.64 1.34 2ok7B1 LEU 162 HB3 -0.23 0.10 0.04 -0.04 1.64 1.50 2ok7B1 LEU 162 HG -1.29 -0.02 0.04 -0.04 1.64 0.34 2ok7B1 LEU 162 HD13 -0.30 -0.02 0.05 -0.04 0.93 0.62 2ok7B1 LEU 162 HD23 -1.20 0.01 -0.02 -0.04 0.89 -0.36 2ok7B1 PRO 163 HA 0.02 0.09 0.58 -0.51 4.44 4.63 2ok7B1 PRO 163 HB2 0.06 -0.10 0.00 -0.04 2.28 2.20 2ok7B1 PRO 163 HB3 0.05 0.05 0.11 -0.04 2.02 2.19 2ok7B1 PRO 163 HG2 0.16 0.08 0.08 -0.04 2.03 2.31 2ok7B1 PRO 163 HG3 0.14 0.14 0.09 -0.04 2.03 2.36 2ok7B1 PRO 163 HD2 0.23 0.05 0.21 -0.04 3.68 4.13 2ok7B1 PRO 163 HD3 0.14 0.23 0.23 -0.04 3.65 4.21 2ok7B1 ASN 164 H 0.01 0.17 0.16 -0.55 8.53 8.32 2ok7B1 ASN 164 HA -0.02 0.12 0.30 -0.75 4.76 4.41 2ok7B1 ASN 164 HB2 -0.01 0.02 0.07 -0.04 2.88 2.92 2ok7B1 ASN 164 HB3 -0.02 0.05 0.12 -0.04 2.79 2.90 2ok7B1 ASN 164 HD21 -0.00 0.02 0.00 -0.04 7.03 7.01 2ok7B1 ASN 164 HD22 -0.01 0.02 -0.09 -0.04 7.74 7.62 2ok7B1 ASP 165 H 0.01 0.08 -0.33 -0.55 8.40 7.61 2ok7B1 ASP 165 HA 0.00 0.15 0.54 -0.75 4.63 4.57 2ok7B1 ASP 165 HB2 0.00 0.07 -0.03 -0.04 2.71 2.71 2ok7B1 ASP 165 HB3 -0.00 -0.00 0.12 -0.04 2.70 2.78 2ok7B1 ALA 166 H 0.02 0.41 -0.42 -0.55 8.40 7.86 2ok7B1 ALA 166 HA 0.09 -0.00 0.12 -0.75 4.34 3.79 2ok7B1 ALA 166 HB3 0.05 0.05 0.07 -0.04 1.41 1.54 2ok7B1 ILE 167 H 0.02 0.15 0.03 -0.55 8.25 7.90 2ok7B1 ILE 167 HA 0.27 0.11 0.47 -0.75 4.18 4.28 2ok7B1 ILE 167 HB 0.03 -0.01 0.02 -0.04 1.89 1.89 2ok7B1 ILE 167 HG12 -0.09 0.07 0.03 -0.04 1.49 1.45 2ok7B1 ILE 167 HG13 -0.03 -0.16 0.10 -0.04 1.21 1.08 2ok7B1 ILE 167 HG23 0.08 0.03 0.13 -0.04 0.93 1.13 2ok7B1 ILE 167 HD13 -0.02 0.01 0.01 -0.04 0.88 0.83 2ok7B1 GLN 168 H 0.03 0.15 -0.25 -0.55 8.47 7.85 2ok7B1 GLN 168 HA 0.02 0.10 0.47 -0.75 4.36 4.20 2ok7B1 GLN 168 HB2 0.01 0.12 0.17 -0.04 2.15 2.41 2ok7B1 GLN 168 HB3 0.00 -0.01 -0.00 -0.04 2.02 1.97 2ok7B1 GLN 168 HG2 0.00 -0.02 0.02 -0.04 2.40 2.37 2ok7B1 GLN 168 HG3 0.01 0.01 0.02 -0.04 2.39 2.39 2ok7B1 GLN 168 HE21 0.01 0.01 -0.06 -0.04 6.97 6.89 2ok7B1 GLN 168 HE22 0.01 0.03 -0.06 -0.04 7.69 7.64 2ok7B1 LYS 169 H 0.01 0.48 0.05 -0.55 8.42 8.40 2ok7B1 LYS 169 HA -0.02 0.14 0.54 -0.75 4.32 4.22 2ok7B1 LYS 169 HB2 -0.02 -0.01 -0.01 -0.04 1.87 1.78 2ok7B1 LYS 169 HB3 -0.04 0.02 0.10 -0.04 1.79 1.84 2ok7B1 LYS 169 HG2 -0.01 -0.03 0.02 -0.04 1.46 1.40 2ok7B1 LYS 169 HG3 -0.02 -0.05 0.01 -0.04 1.46 1.36 2ok7B1 LYS 169 HD2 -0.03 0.00 -0.00 -0.04 1.69 1.62 2ok7B1 LYS 169 HD3 -0.02 0.08 -0.08 -0.04 1.68 1.62 2ok7B1 LYS 169 HE2 -0.01 -0.02 -0.05 -0.04 2.99 2.87 2ok7B1 LYS 169 HE3 -0.02 -0.04 -0.01 -0.04 2.99 2.88 2ok7B1 ASN 170 H 0.02 0.12 -0.57 -0.55 8.53 7.55 2ok7B1 ASN 170 HA -0.07 0.03 0.27 -0.75 4.76 4.24 2ok7B1 ASN 170 HB2 -0.11 0.12 -0.09 -0.04 2.88 2.76 2ok7B1 ASN 170 HB3 -0.25 -0.05 0.01 -0.04 2.79 2.46 2ok7B1 ASN 170 HD21 -0.05 0.01 -0.04 -0.04 7.03 6.91 2ok7B1 ASN 170 HD22 -0.07 0.00 -0.16 -0.04 7.74 7.47 2ok7B1 THR 171 H 0.02 0.20 -0.06 -0.55 8.28 7.89 2ok7B1 THR 171 HA -0.18 0.11 0.24 -0.75 4.39 3.81 2ok7B1 THR 171 HB -0.46 0.11 0.00 -0.04 4.32 3.93 2ok7B1 THR 171 HG23 -0.08 -0.02 -0.07 -0.04 1.22 1.00 2ok7B1 ASN 172 H -0.23 0.22 0.23 -0.55 8.53 8.21 2ok7B1 ASN 172 HA -0.15 0.08 0.69 -0.75 4.76 4.62 2ok7B1 ASN 172 HB2 -0.07 0.16 0.04 -0.04 2.88 2.98 2ok7B1 ASN 172 HB3 -0.02 -0.00 0.09 -0.04 2.79 2.82 2ok7B1 ASN 172 HD21 0.20 -0.07 0.11 -0.04 7.03 7.23 2ok7B1 ASN 172 HD22 0.15 0.41 0.19 -0.04 7.74 8.45 2ok7B1 PHE 173 H -0.06 0.59 0.35 -0.55 8.34 8.67 2ok7B1 PHE 173 HA -0.08 0.23 1.11 -0.75 4.62 5.13 2ok7B1 PHE 173 HB2 -0.56 -0.04 0.02 -0.04 3.15 2.53 2ok7B1 PHE 173 HB3 -1.19 -0.04 -0.13 -0.04 3.06 1.65 2ok7B1 PHE 173 HD2 0.11 0.05 -0.07 -0.04 7.28 7.33 2ok7B1 PHE 173 HE2 0.03 -0.03 -0.05 -0.04 7.38 7.28 2ok7B1 PHE 173 HZ -0.07 -0.11 -0.02 -0.04 7.32 7.08 2ok7B1 ILE 174 H 0.15 0.67 0.26 -0.55 8.25 8.78 2ok7B1 ILE 174 HA 0.00 0.28 0.96 -0.75 4.18 4.67 2ok7B1 ILE 174 HB 0.22 -0.03 0.14 -0.04 1.89 2.17 2ok7B1 ILE 174 HG12 0.19 0.01 0.01 -0.04 1.49 1.66 2ok7B1 ILE 174 HG13 0.08 -0.01 -0.31 -0.04 1.21 0.94 2ok7B1 ILE 174 HG23 0.49 -0.02 -0.12 -0.04 0.93 1.24 2ok7B1 ILE 174 HD13 -0.04 -0.02 -0.13 -0.04 0.88 0.65 2ok7B1 PHE 175 H -0.06 0.61 0.25 -0.55 8.34 8.59 2ok7B1 PHE 175 HA -0.18 0.17 1.01 -0.75 4.62 4.86 2ok7B1 PHE 175 HB2 -0.39 -0.06 0.09 -0.04 3.15 2.75 2ok7B1 PHE 175 HB3 -1.81 -0.04 -0.05 -0.04 3.06 1.12 2ok7B1 PHE 175 HD2 -0.20 0.02 -0.13 -0.04 7.28 6.93 2ok7B1 PHE 175 HE2 -0.51 0.04 -0.14 -0.04 7.38 6.73 2ok7B1 PHE 175 HZ -0.87 0.02 -0.12 -0.04 7.32 6.30 2ok7B1 ILE 176 H 0.28 0.58 0.25 -0.55 8.25 8.81 2ok7B1 ILE 176 HA 0.28 0.25 1.15 -0.75 4.18 5.11 2ok7B1 ILE 176 HB 0.25 -0.01 0.28 -0.04 1.89 2.37 2ok7B1 ILE 176 HG12 0.12 -0.01 -0.05 -0.04 1.49 1.50 2ok7B1 ILE 176 HG13 0.28 -0.01 -0.34 -0.04 1.21 1.10 2ok7B1 ILE 176 HG23 0.13 -0.04 -0.10 -0.04 0.93 0.88 2ok7B1 ILE 176 HD13 0.13 -0.00 -0.09 -0.04 0.88 0.88 2ok7B1 ALA 177 H 0.34 0.77 0.41 -0.55 8.40 9.37 2ok7B1 ALA 177 HA 0.34 0.44 1.13 -0.75 4.34 5.49 2ok7B1 ALA 177 HB3 0.39 -0.02 -0.26 -0.04 1.41 1.48 2ok7B1 THR 178 H 0.17 0.41 0.40 -0.55 8.28 8.72 2ok7B1 THR 178 HA 0.18 0.27 0.75 -0.75 4.39 4.83 2ok7B1 THR 178 HB -0.03 0.05 0.18 -0.04 4.32 4.48 2ok7B1 THR 178 HG23 0.02 0.01 0.08 -0.04 1.22 1.29 2ok7B1 GLY 179 H 0.08 0.52 0.25 -0.55 8.43 8.73 2ok7B1 GLY 179 HA2 0.12 0.09 0.42 -0.51 4.01 4.13 2ok7B1 GLY 179 HA3 0.10 -0.03 0.46 -0.51 4.01 4.02 2ok7B1 THR 180 H 0.18 0.15 0.28 -0.55 8.28 8.34 2ok7B1 THR 180 HA 0.18 0.08 0.42 -0.75 4.39 4.32 2ok7B1 THR 180 HB 0.22 0.09 0.17 -0.04 4.32 4.76 2ok7B1 THR 180 HG23 0.14 -0.02 0.04 -0.04 1.22 1.34 2ok7B1 GLY 181 H 0.18 0.42 -0.12 -0.55 8.43 8.36 2ok7B1 GLY 181 HA2 0.10 0.04 0.38 -0.51 4.01 4.03 2ok7B1 GLY 181 HA3 0.08 0.15 0.25 -0.51 4.01 3.98 2ok7B1 ILE 182 H 0.14 0.22 -0.64 -0.55 8.25 7.41 2ok7B1 ILE 182 HA -0.05 0.13 0.58 -0.75 4.18 4.08 2ok7B1 ILE 182 HB -0.42 0.01 -0.05 -0.04 1.89 1.39 2ok7B1 ILE 182 HG12 -0.32 0.11 -0.11 -0.04 1.49 1.13 2ok7B1 ILE 182 HG13 -0.12 -0.07 -0.07 -0.04 1.21 0.90 2ok7B1 ILE 182 HG23 0.20 0.03 -0.22 -0.04 0.93 0.90 2ok7B1 ILE 182 HD13 -0.64 0.00 -0.12 -0.04 0.88 0.09 2ok7B1 SER 183 H 0.04 0.43 -0.09 -0.55 8.46 8.30 2ok7B1 SER 183 HA -0.04 -0.03 0.23 -0.75 4.49 3.91 2ok7B1 SER 183 HB2 -0.00 0.03 0.06 -0.04 3.95 3.99 2ok7B1 SER 183 HB3 0.00 0.05 -0.23 -0.04 3.93 3.71 2ok7B1 PRO 184 HA -0.43 0.17 0.49 -0.51 4.44 4.17 2ok7B1 PRO 184 HB2 -0.63 0.10 -0.02 -0.04 2.28 1.68 2ok7B1 PRO 184 HB3 -0.14 0.08 0.09 -0.04 2.02 2.01 2ok7B1 PRO 184 HG2 -0.89 0.10 -0.04 -0.04 2.03 1.15 2ok7B1 PRO 184 HG3 -0.14 0.01 0.02 -0.04 2.03 1.88 2ok7B1 PRO 184 HD2 -0.29 0.11 -0.46 -0.04 3.68 2.99 2ok7B1 PRO 184 HD3 -0.14 0.03 0.01 -0.04 3.65 3.51 2ok7B1 TYR 185 H -0.66 0.31 -0.40 -0.55 8.29 6.99 2ok7B1 TYR 185 HA -1.23 0.09 0.41 -0.75 4.56 3.07 2ok7B1 TYR 185 HB2 -0.35 0.08 0.01 -0.04 3.06 2.77 2ok7B1 TYR 185 HB3 -0.66 -0.01 -0.03 -0.04 2.98 2.24 2ok7B1 TYR 185 HD2 -0.63 -0.02 -0.15 -0.04 7.15 6.30 2ok7B1 TYR 185 HE2 0.09 0.03 -0.36 -0.04 6.85 6.57 2ok7B1 ILE 186 H -0.27 0.50 -0.11 -0.55 8.25 7.81 2ok7B1 ILE 186 HA -0.16 0.04 0.46 -0.75 4.18 3.77 2ok7B1 ILE 186 HB -0.35 0.09 0.05 -0.04 1.89 1.65 2ok7B1 ILE 186 HG12 -0.09 0.14 -0.18 -0.04 1.49 1.33 2ok7B1 ILE 186 HG13 -0.11 -0.10 -0.16 -0.04 1.21 0.80 2ok7B1 ILE 186 HG23 -0.53 0.02 -0.12 -0.04 0.93 0.25 2ok7B1 ILE 186 HD13 0.04 0.00 -0.09 -0.04 0.88 0.79 2ok7B1 SER 187 H -0.31 0.46 -0.20 -0.55 8.46 7.86 2ok7B1 SER 187 HA -0.09 -0.01 0.09 -0.75 4.49 3.73 2ok7B1 SER 187 HB2 -0.12 0.05 0.03 -0.04 3.95 3.87 2ok7B1 SER 187 HB3 -0.32 0.15 0.17 -0.04 3.93 3.88 2ok7B1 PHE 188 H -0.40 0.41 -0.29 -0.55 8.34 7.50 2ok7B1 PHE 188 HA -0.28 0.00 0.46 -0.75 4.62 4.05 2ok7B1 PHE 188 HB2 -0.57 0.17 0.12 -0.04 3.15 2.82 2ok7B1 PHE 188 HB3 -0.48 -0.01 -0.03 -0.04 3.06 2.51 2ok7B1 PHE 188 HD2 -0.95 -0.09 -0.13 -0.04 7.28 6.08 2ok7B1 PHE 188 HE2 -0.79 0.09 -0.29 -0.04 7.38 6.34 2ok7B1 PHE 188 HZ -0.67 0.16 -0.22 -0.04 7.32 6.55 2ok7B1 LEU 189 H -0.17 0.45 -0.27 -0.55 8.37 7.83 2ok7B1 LEU 189 HA -0.19 0.04 0.24 -0.75 4.35 3.69 2ok7B1 LEU 189 HB2 -0.40 0.08 0.05 -0.04 1.64 1.32 2ok7B1 LEU 189 HB3 -1.22 -0.02 -0.03 -0.04 1.64 0.33 2ok7B1 LEU 189 HG -0.15 0.28 0.05 -0.04 1.64 1.78 2ok7B1 LEU 189 HD13 -0.19 -0.04 -0.12 -0.04 0.93 0.54 2ok7B1 LEU 189 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.82 2ok7B1 LYS 190 H -0.07 0.36 -0.44 -0.55 8.42 7.72 2ok7B1 LYS 190 HA 0.26 0.03 0.52 -0.75 4.32 4.38 2ok7B1 LYS 190 HB2 0.02 0.12 -0.01 -0.04 1.87 1.96 2ok7B1 LYS 190 HB3 0.14 -0.09 0.01 -0.04 1.79 1.81 2ok7B1 LYS 190 HG2 -0.02 -0.07 -0.04 -0.04 1.46 1.29 2ok7B1 LYS 190 HG3 -0.06 0.22 -0.05 -0.04 1.46 1.53 2ok7B1 LYS 190 HD2 -0.06 0.13 -0.06 -0.04 1.69 1.66 2ok7B1 LYS 190 HD3 0.08 -0.16 0.02 -0.04 1.68 1.59 2ok7B1 LYS 190 HE2 -0.15 -0.08 -0.06 -0.04 2.99 2.66 2ok7B1 LYS 190 HE3 -0.28 -0.01 -0.08 -0.04 2.99 2.59 2ok7B1 LYS 191 H -0.03 0.39 -0.26 -0.55 8.42 7.97 2ok7B1 LYS 191 HA 0.00 0.02 0.61 -0.75 4.32 4.20 2ok7B1 LYS 191 HB2 -0.03 0.06 0.21 -0.04 1.87 2.07 2ok7B1 LYS 191 HB3 -0.11 0.09 0.16 -0.04 1.79 1.89 2ok7B1 LYS 191 HG2 -0.02 -0.03 0.11 -0.04 1.46 1.48 2ok7B1 LYS 191 HG3 -0.03 -0.10 0.09 -0.04 1.46 1.38 2ok7B1 LYS 191 HD2 -0.09 -0.02 0.00 -0.04 1.69 1.54 2ok7B1 LYS 191 HD3 -0.10 0.08 -0.16 -0.04 1.68 1.46 2ok7B1 LYS 191 HE2 -0.04 0.01 0.00 -0.04 2.99 2.92 2ok7B1 LYS 191 HE3 -0.03 0.01 0.03 -0.04 2.99 2.96 2ok7B1 LEU 192 H -0.23 0.53 0.06 -0.55 8.37 8.18 2ok7B1 LEU 192 HA -0.37 0.02 0.29 -0.75 4.35 3.54 2ok7B1 LEU 192 HB2 -0.77 -0.01 0.02 -0.04 1.64 0.84 2ok7B1 LEU 192 HB3 -1.40 0.05 -0.06 -0.04 1.64 0.20 2ok7B1 LEU 192 HG -0.41 0.07 0.04 -0.04 1.64 1.30 2ok7B1 LEU 192 HD13 -0.57 -0.01 -0.15 -0.04 0.93 0.17 2ok7B1 LEU 192 HD23 -0.53 -0.01 -0.08 -0.04 0.89 0.22 2ok7B1 PHE 193 H -0.09 0.31 -0.24 -0.55 8.34 7.77 2ok7B1 PHE 193 HA -0.07 0.25 0.56 -0.75 4.62 4.61 2ok7B1 PHE 193 HB2 0.03 0.15 0.07 -0.04 3.15 3.36 2ok7B1 PHE 193 HB3 0.12 -0.01 0.08 -0.04 3.06 3.21 2ok7B1 PHE 193 HD2 -0.83 0.04 -0.04 -0.04 7.28 6.41 2ok7B1 PHE 193 HE2 -0.26 -0.00 -0.11 -0.04 7.38 6.96 2ok7B1 PHE 193 HZ 0.00 0.10 -0.17 -0.04 7.32 7.21 2ok7B1 ALA 194 H 0.09 0.19 -0.68 -0.55 8.40 7.45 2ok7B1 ALA 194 HA 0.12 0.03 0.29 -0.75 4.34 4.03 2ok7B1 ALA 194 HB3 0.12 0.05 0.02 -0.04 1.41 1.56 2ok7B1 TYR 195 H 0.33 0.30 -0.01 -0.55 8.29 8.36 2ok7B1 TYR 195 HA 0.19 0.14 0.24 -0.75 4.56 4.38 2ok7B1 TYR 195 HB2 0.40 0.09 0.00 -0.04 3.06 3.52 2ok7B1 TYR 195 HB3 0.16 -0.11 0.09 -0.04 2.98 3.08 2ok7B1 TYR 195 HD2 0.05 0.04 -0.14 -0.04 7.15 7.05 2ok7B1 TYR 195 HE2 -0.51 -0.02 -0.10 -0.04 6.85 6.18 2ok7B1 ASP 196 H -0.55 0.35 0.11 -0.55 8.40 7.76 2ok7B1 ASP 196 HA -0.21 0.00 0.54 -0.75 4.63 4.21 2ok7B1 ASP 196 HB2 -0.09 0.24 -0.11 -0.04 2.71 2.70 2ok7B1 ASP 196 HB3 -0.20 0.08 0.15 -0.04 2.70 2.69 2ok7B1 LYS 197 H -0.27 0.16 0.05 -0.55 8.42 7.81 2ok7B1 LYS 197 HA -0.45 0.13 0.37 -0.75 4.32 3.61 2ok7B1 LYS 197 HB2 -0.05 -0.00 0.06 -0.04 1.87 1.84 2ok7B1 LYS 197 HB3 -0.08 -0.01 0.02 -0.04 1.79 1.68 2ok7B1 LYS 197 HG2 -0.07 0.04 -0.07 -0.04 1.46 1.31 2ok7B1 LYS 197 HG3 -0.06 0.01 0.02 -0.04 1.46 1.38 2ok7B1 LYS 197 HD2 -0.00 -0.00 -0.05 -0.04 1.69 1.60 2ok7B1 LYS 197 HD3 0.04 -0.02 -0.04 -0.04 1.68 1.61 2ok7B1 LYS 197 HE2 -0.01 -0.01 -0.08 -0.04 2.99 2.85 2ok7B1 LYS 197 HE3 -0.01 0.02 -0.07 -0.04 2.99 2.90 2ok7B1 ASN 198 H -0.16 0.02 -0.22 -0.55 8.53 7.63 2ok7B1 ASN 198 HA -0.10 0.20 0.71 -0.75 4.76 4.82 2ok7B1 ASN 198 HB2 -0.07 0.01 0.01 -0.04 2.88 2.79 2ok7B1 ASN 198 HB3 -0.04 0.04 0.09 -0.04 2.79 2.84 2ok7B1 ASN 198 HD21 -0.02 0.00 -0.04 -0.04 7.03 6.93 2ok7B1 ASN 198 HD22 -0.04 0.02 -0.01 -0.04 7.74 7.68 2ok7B1 ASN 199 H -0.26 0.11 -0.46 -0.55 8.53 7.37 2ok7B1 ASN 199 HA -0.62 0.08 0.68 -0.75 4.76 4.15 2ok7B1 ASN 199 HB2 -0.15 -0.03 0.06 -0.04 2.88 2.73 2ok7B1 ASN 199 HB3 -0.19 0.02 0.09 -0.04 2.79 2.67 2ok7B1 ASN 199 HD21 -0.01 0.01 -0.08 -0.04 7.03 6.91 2ok7B1 ASN 199 HD22 -0.06 -0.07 -0.17 -0.04 7.74 7.40 2ok7B1 LEU 200 H -0.80 0.12 -0.02 -0.55 8.37 7.12 2ok7B1 LEU 200 HA -0.24 0.28 0.74 -0.75 4.35 4.39 2ok7B1 LEU 200 HB2 -0.17 -0.04 0.01 -0.04 1.64 1.40 2ok7B1 LEU 200 HB3 -0.10 0.01 0.09 -0.04 1.64 1.60 2ok7B1 LEU 200 HG -0.41 0.05 -0.12 -0.04 1.64 1.12 2ok7B1 LEU 200 HD13 -0.17 -0.03 0.01 -0.04 0.93 0.70 2ok7B1 LEU 200 HD23 -0.94 -0.02 -0.06 -0.04 0.89 -0.18 2ok7B1 TYR 201 H -0.99 -0.01 -0.04 -0.55 8.29 6.70 2ok7B1 TYR 201 HA 0.06 0.22 0.61 -0.75 4.56 4.70 2ok7B1 TYR 201 HB2 0.02 0.02 0.07 -0.04 3.06 3.13 2ok7B1 TYR 201 HB3 0.02 0.02 0.05 -0.04 2.98 3.03 2ok7B1 TYR 201 HD2 0.01 0.04 -0.07 -0.04 7.15 7.09 2ok7B1 TYR 201 HE2 -0.01 0.03 0.01 -0.04 6.85 6.84 2ok7B1 ASN 202 H -0.04 0.11 -0.28 -0.55 8.53 7.77 2ok7B1 ASN 202 HA 0.10 0.21 0.84 -0.75 4.76 5.15 2ok7B1 ASN 202 HB2 0.04 0.04 -0.07 -0.04 2.88 2.86 2ok7B1 ASN 202 HB3 0.08 -0.04 0.07 -0.04 2.79 2.86 2ok7B1 ASN 202 HD21 0.32 0.00 -0.07 -0.04 7.03 7.24 2ok7B1 ASN 202 HD22 0.07 0.03 -0.06 -0.04 7.74 7.74 2ok7B1 ARG 203 H 0.10 0.10 0.04 -0.55 8.46 8.14 2ok7B1 ARG 203 HA 0.20 0.21 0.31 -0.75 4.34 4.31 2ok7B1 ARG 203 HB2 0.11 -0.05 0.10 -0.04 1.90 2.02 2ok7B1 ARG 203 HB3 0.11 -0.02 0.09 -0.04 1.80 1.94 2ok7B1 ARG 203 HG2 0.14 -0.02 0.08 -0.04 1.67 1.83 2ok7B1 ARG 203 HG3 0.23 0.11 0.13 -0.04 1.67 2.09 2ok7B1 ARG 203 HD2 0.24 0.06 -0.01 -0.04 3.22 3.47 2ok7B1 ARG 203 HD3 0.13 -0.08 0.02 -0.04 3.22 3.24 2ok7B1 TYR 207 HA -0.04 -0.08 0.31 -0.75 4.56 3.99 2ok7B1 TYR 207 HB2 -0.14 -0.03 0.16 -0.04 3.06 3.01 2ok7B1 TYR 207 HB3 -0.26 0.11 0.04 -0.04 2.98 2.83 2ok7B1 TYR 207 HD2 -0.35 0.02 -0.11 -0.04 7.15 6.68 2ok7B1 TYR 207 HE2 -0.08 0.09 -0.17 -0.04 6.85 6.65 2ok7B1 THR 208 H -0.54 0.04 0.10 -0.55 8.28 7.34 2ok7B1 THR 208 HA -0.11 0.22 0.80 -0.75 4.39 4.55 2ok7B1 THR 208 HB -0.06 -0.02 0.19 -0.04 4.32 4.39 2ok7B1 THR 208 HG23 0.02 0.01 -0.10 -0.04 1.22 1.11 2ok7B1 GLY 209 H -1.72 -0.02 -0.02 -0.55 8.43 6.12 2ok7B1 GLY 209 HA2 -0.19 0.15 0.53 -0.51 4.01 3.99 2ok7B1 GLY 209 HA3 -0.39 0.09 0.10 -0.51 4.01 3.30 2ok7B1 TYR 210 H 0.09 0.13 0.16 -0.55 8.29 8.12 2ok7B1 TYR 210 HA 0.04 0.34 0.98 -0.75 4.56 5.17 2ok7B1 TYR 210 HB2 -0.02 0.05 0.03 -0.04 3.06 3.08 2ok7B1 TYR 210 HB3 -0.08 -0.08 0.08 -0.04 2.98 2.85 2ok7B1 TYR 210 HD2 -0.09 0.07 -0.12 -0.04 7.15 6.96 2ok7B1 TYR 210 HE2 -0.05 -0.04 -0.33 -0.04 6.85 6.40 2ok7B1 ILE 211 H -0.42 0.61 0.18 -0.55 8.25 8.07 2ok7B1 ILE 211 HA -0.18 0.25 1.04 -0.75 4.18 4.53 2ok7B1 ILE 211 HB 0.02 0.11 0.17 -0.04 1.89 2.15 2ok7B1 ILE 211 HG12 0.06 -0.05 -0.11 -0.04 1.49 1.36 2ok7B1 ILE 211 HG13 0.20 -0.00 -0.52 -0.04 1.21 0.84 2ok7B1 ILE 211 HG23 -0.14 -0.05 -0.21 -0.04 0.93 0.48 2ok7B1 ILE 211 HD13 0.23 0.00 -0.15 -0.04 0.88 0.92 2ok7B1 THR 212 H -0.21 0.68 0.36 -0.55 8.28 8.57 2ok7B1 THR 212 HA -0.29 0.27 1.09 -0.75 4.39 4.70 2ok7B1 THR 212 HB 0.05 -0.07 0.16 -0.04 4.32 4.43 2ok7B1 THR 212 HG23 -0.16 -0.01 -0.08 -0.04 1.22 0.93 2ok7B1 ILE 213 H -0.24 0.77 0.40 -0.55 8.25 8.63 2ok7B1 ILE 213 HA 0.02 0.27 1.09 -0.75 4.18 4.79 2ok7B1 ILE 213 HB -0.12 -0.04 0.12 -0.04 1.89 1.80 2ok7B1 ILE 213 HG12 0.21 -0.01 -0.10 -0.04 1.49 1.55 2ok7B1 ILE 213 HG13 -0.01 0.01 -0.32 -0.04 1.21 0.85 2ok7B1 ILE 213 HG23 0.00 -0.03 -0.22 -0.04 0.93 0.64 2ok7B1 ILE 213 HD13 0.05 -0.00 -0.14 -0.04 0.88 0.75 2ok7B1 TYR 214 H 0.26 0.77 0.39 -0.55 8.29 9.15 2ok7B1 TYR 214 HA 0.12 0.22 1.00 -0.75 4.56 5.14 2ok7B1 TYR 214 HB2 0.10 -0.03 0.25 -0.04 3.06 3.35 2ok7B1 TYR 214 HB3 0.07 -0.05 0.08 -0.04 2.98 3.03 2ok7B1 TYR 214 HD2 0.08 0.03 -0.09 -0.04 7.15 7.13 2ok7B1 TYR 214 HE2 0.03 0.03 -0.10 -0.04 6.85 6.77 2ok7B1 TYR 215 H 0.16 0.79 0.28 -0.55 8.29 8.97 2ok7B1 TYR 215 HA 0.16 0.20 1.03 -0.75 4.56 5.19 2ok7B1 TYR 215 HB2 0.04 0.02 -0.20 -0.04 3.06 2.88 2ok7B1 TYR 215 HB3 0.02 -0.01 -0.00 -0.04 2.98 2.95 2ok7B1 TYR 215 HD2 0.35 0.06 -0.13 -0.04 7.15 7.39 2ok7B1 TYR 215 HE2 0.21 -0.00 -0.18 -0.04 6.85 6.84 2ok7B1 GLY 216 H 0.23 0.62 0.35 -0.55 8.43 9.08 2ok7B1 GLY 216 HA2 0.01 0.36 1.15 -0.51 4.01 5.02 2ok7B1 GLY 216 HA3 0.08 -0.11 0.48 -0.51 4.01 3.94 2ok7B1 VAL 217 H -0.01 0.44 0.18 -0.55 8.24 8.31 2ok7B1 VAL 217 HA 0.02 0.07 0.77 -0.75 4.13 4.23 2ok7B1 VAL 217 HB 0.04 -0.14 0.12 -0.04 2.12 2.10 2ok7B1 VAL 217 HG13 -0.35 -0.01 -0.08 -0.04 0.97 0.49 2ok7B1 VAL 217 HG23 0.07 0.01 -0.34 -0.04 0.95 0.66 2ok7B1 TYR 218 H 0.21 0.13 0.16 -0.55 8.29 8.24 2ok7B1 TYR 218 HA 0.15 0.04 0.60 -0.75 4.56 4.60 2ok7B1 TYR 218 HB2 0.04 0.02 0.17 -0.04 3.06 3.24 2ok7B1 TYR 218 HB3 0.00 -0.08 0.21 -0.04 2.98 3.07 2ok7B1 TYR 218 HD2 -0.02 -0.04 -0.06 -0.04 7.15 6.99 2ok7B1 TYR 218 HE2 -0.04 0.06 -0.01 -0.04 6.85 6.82 2ok7B1 ASN 219 H 0.19 0.08 0.08 -0.55 8.53 8.32 2ok7B1 ASN 219 HA -0.32 0.25 0.61 -0.75 4.76 4.54 2ok7B1 ASN 219 HB2 -0.51 -0.08 0.16 -0.04 2.88 2.40 2ok7B1 ASN 219 HB3 -0.49 0.16 -0.09 -0.04 2.79 2.32 2ok7B1 ASN 219 HD21 -0.02 0.78 0.12 -0.04 7.03 7.86 2ok7B1 ASN 219 HD22 -0.14 0.01 -0.00 -0.04 7.74 7.56 2ok7B1 GLU 220 H -0.62 0.24 0.10 -0.55 8.60 7.77 2ok7B1 GLU 220 HA -0.25 0.12 0.39 -0.75 4.29 3.80 2ok7B1 GLU 220 HB2 -0.25 -0.03 0.13 -0.04 2.09 1.89 2ok7B1 GLU 220 HB3 -0.16 0.08 0.01 -0.04 1.99 1.89 2ok7B1 GLU 220 HG2 -0.15 0.08 0.03 -0.04 2.34 2.25 2ok7B1 GLU 220 HG3 -0.33 0.03 0.04 -0.04 2.34 2.04 2ok7B1 ASP 221 H -0.16 0.10 -0.20 -0.55 8.40 7.59 2ok7B1 ASP 221 HA -0.07 0.17 0.31 -0.75 4.63 4.29 2ok7B1 ASP 221 HB2 -0.10 0.04 -0.21 -0.04 2.71 2.40 2ok7B1 ASP 221 HB3 -0.08 0.08 -0.03 -0.04 2.70 2.63 2ok7B1 SER 222 H -0.03 0.32 -0.71 -0.55 8.46 7.50 2ok7B1 SER 222 HA -0.02 0.19 0.76 -0.75 4.49 4.66 2ok7B1 SER 222 HB2 0.08 -0.07 0.09 -0.04 3.95 4.02 2ok7B1 SER 222 HB3 0.04 -0.04 0.18 -0.04 3.93 4.07 2ok7B1 ILE 223 H 0.02 0.39 -0.15 -0.55 8.25 7.96 2ok7B1 ILE 223 HA 0.15 -0.02 0.52 -0.75 4.18 4.08 2ok7B1 ILE 223 HB 0.06 0.06 0.12 -0.04 1.89 2.09 2ok7B1 ILE 223 HG12 0.02 -0.04 -0.08 -0.04 1.49 1.35 2ok7B1 ILE 223 HG13 0.08 0.01 0.02 -0.04 1.21 1.28 2ok7B1 ILE 223 HG23 0.41 0.00 -0.25 -0.04 0.93 1.06 2ok7B1 ILE 223 HD13 -0.30 0.02 -0.00 -0.04 0.88 0.56 2ok7B1 LEU 224 H 0.35 0.12 0.09 -0.55 8.37 8.38 2ok7B1 LEU 224 HA -0.03 0.18 0.52 -0.75 4.35 4.27 2ok7B1 LEU 224 HB2 0.20 0.01 -0.06 -0.04 1.64 1.74 2ok7B1 LEU 224 HB3 -0.15 -0.04 -0.03 -0.04 1.64 1.37 2ok7B1 LEU 224 HG 0.18 0.07 -0.02 -0.04 1.64 1.83 2ok7B1 LEU 224 HD13 0.10 -0.01 -0.18 -0.04 0.93 0.81 2ok7B1 LEU 224 HD23 -0.03 -0.00 -0.23 -0.04 0.89 0.59 2ok7B1 TYR 225 H -0.37 0.15 0.10 -0.55 8.29 7.62 2ok7B1 TYR 225 HA -0.00 0.01 0.31 -0.75 4.56 4.12 2ok7B1 TYR 225 HB2 0.03 0.15 -0.01 -0.04 3.06 3.19 2ok7B1 TYR 225 HB3 0.00 -0.05 0.14 -0.04 2.98 3.03 2ok7B1 TYR 225 HD2 -0.04 -0.01 -0.15 -0.04 7.15 6.91 2ok7B1 TYR 225 HE2 -0.08 0.00 -0.09 -0.04 6.85 6.64 2ok7B1 LEU 226 H 0.06 0.25 -0.15 -0.55 8.37 7.98 2ok7B1 LEU 226 HA 0.17 0.10 0.22 -0.75 4.35 4.09 2ok7B1 LEU 226 HB2 0.07 0.30 0.01 -0.04 1.64 1.97 2ok7B1 LEU 226 HB3 0.04 -0.04 0.03 -0.04 1.64 1.63 2ok7B1 LEU 226 HG 0.02 0.08 -0.01 -0.04 1.64 1.69 2ok7B1 LEU 226 HD13 0.02 -0.00 -0.15 -0.04 0.93 0.76 2ok7B1 LEU 226 HD23 0.07 -0.02 -0.04 -0.04 0.89 0.86 2ok7B1 ASN 227 H 0.05 0.09 -0.12 -0.55 8.53 8.00 2ok7B1 ASN 227 HA 0.05 0.12 0.34 -0.75 4.76 4.51 2ok7B1 ASN 227 HB2 0.03 -0.07 0.01 -0.04 2.88 2.80 2ok7B1 ASN 227 HB3 0.02 0.09 -0.05 -0.04 2.79 2.80 2ok7B1 ASN 227 HD21 -0.01 0.05 -0.02 -0.04 7.03 7.02 2ok7B1 ASN 227 HD22 -0.01 -0.00 -0.02 -0.04 7.74 7.67 2ok7B1 GLU 228 H 0.06 0.04 -0.38 -0.55 8.60 7.77 2ok7B1 GLU 228 HA -0.25 0.10 0.33 -0.75 4.29 3.72 2ok7B1 GLU 228 HB2 0.06 0.08 0.08 -0.04 2.09 2.26 2ok7B1 GLU 228 HB3 -0.10 0.08 -0.06 -0.04 1.99 1.87 2ok7B1 GLU 228 HG2 -0.31 0.07 -0.05 -0.04 2.34 2.01 2ok7B1 GLU 228 HG3 -0.38 0.04 -0.06 -0.04 2.34 1.90 2ok7B1 LEU 229 H 0.16 0.51 -0.06 -0.55 8.37 8.42 2ok7B1 LEU 229 HA 0.34 0.04 0.30 -0.75 4.35 4.27 2ok7B1 LEU 229 HB2 0.25 0.05 0.05 -0.04 1.64 1.95 2ok7B1 LEU 229 HB3 0.27 -0.02 -0.09 -0.04 1.64 1.75 2ok7B1 LEU 229 HG 0.20 0.06 0.01 -0.04 1.64 1.87 2ok7B1 LEU 229 HD13 0.28 -0.02 -0.16 -0.04 0.93 0.99 2ok7B1 LEU 229 HD23 0.12 -0.01 -0.09 -0.04 0.89 0.86 2ok7B1 GLU 230 H 0.12 0.52 -0.29 -0.55 8.60 8.40 2ok7B1 GLU 230 HA 0.11 0.06 0.61 -0.75 4.29 4.31 2ok7B1 GLU 230 HB2 0.08 0.10 0.09 -0.04 2.09 2.32 2ok7B1 GLU 230 HB3 0.07 -0.02 -0.04 -0.04 1.99 1.95 2ok7B1 GLU 230 HG2 0.10 -0.02 0.00 -0.04 2.34 2.38 2ok7B1 GLU 230 HG3 0.12 0.02 -0.01 -0.04 2.34 2.43 2ok7B1 TYR 231 H 0.08 0.39 -0.17 -0.55 8.29 8.04 2ok7B1 TYR 231 HA -0.06 0.02 0.48 -0.75 4.56 4.25 2ok7B1 TYR 231 HB2 -0.08 -0.01 0.12 -0.04 3.06 3.04 2ok7B1 TYR 231 HB3 -0.34 0.07 0.22 -0.04 2.98 2.89 2ok7B1 TYR 231 HD2 -0.35 -0.03 -0.08 -0.04 7.15 6.65 2ok7B1 TYR 231 HE2 0.10 0.08 -0.01 -0.04 6.85 6.97 2ok7B1 PHE 232 H -0.12 0.59 -0.03 -0.55 8.34 8.23 2ok7B1 PHE 232 HA 0.01 0.09 0.43 -0.75 4.62 4.39 2ok7B1 PHE 232 HB2 -0.01 0.01 -0.01 -0.04 3.15 3.11 2ok7B1 PHE 232 HB3 -0.21 0.03 -0.05 -0.04 3.06 2.79 2ok7B1 PHE 232 HD2 0.02 -0.00 -0.17 -0.04 7.28 7.09 2ok7B1 PHE 232 HE2 0.12 -0.02 -0.15 -0.04 7.38 7.29 2ok7B1 PHE 232 HZ -0.32 -0.06 -0.25 -0.04 7.32 6.64 2ok7B1 GLN 233 H 0.11 0.28 -0.41 -0.55 8.47 7.90 2ok7B1 GLN 233 HA 0.04 0.10 0.35 -0.75 4.36 4.10 2ok7B1 GLN 233 HB2 0.10 0.24 0.20 -0.04 2.15 2.64 2ok7B1 GLN 233 HB3 0.05 0.04 0.04 -0.04 2.02 2.12 2ok7B1 GLN 233 HG2 0.04 0.01 -0.02 -0.04 2.40 2.39 2ok7B1 GLN 233 HG3 0.03 -0.01 -0.01 -0.04 2.39 2.35 2ok7B1 GLN 233 HE21 0.12 -0.05 0.02 -0.04 6.97 7.02 2ok7B1 GLN 233 HE22 0.05 0.03 0.02 -0.04 7.69 7.75 2ok7B1 LYS 234 H -0.05 0.47 -0.19 -0.55 8.42 8.09 2ok7B1 LYS 234 HA -0.05 0.01 0.44 -0.75 4.32 3.96 2ok7B1 LYS 234 HB2 -0.03 -0.02 0.10 -0.04 1.87 1.88 2ok7B1 LYS 234 HB3 -0.14 0.06 0.17 -0.04 1.79 1.84 2ok7B1 LYS 234 HG2 -0.10 0.04 -0.15 -0.04 1.46 1.21 2ok7B1 LYS 234 HG3 -0.04 -0.05 0.03 -0.04 1.46 1.36 2ok7B1 LYS 234 HD2 -0.01 -0.05 -0.02 -0.04 1.69 1.56 2ok7B1 LYS 234 HD3 -0.00 -0.05 -0.02 -0.04 1.68 1.57 2ok7B1 LYS 234 HE2 -0.02 0.03 -0.00 -0.04 2.99 2.96 2ok7B1 LYS 234 HE3 -0.06 0.05 -0.04 -0.04 2.99 2.90 2ok7B1 MET 235 H -0.34 0.56 -0.07 -0.55 8.47 8.07 2ok7B1 MET 235 HA -0.36 0.03 0.48 -0.75 4.52 3.91 2ok7B1 MET 235 HB2 -0.84 0.04 0.09 -0.04 2.15 1.40 2ok7B1 MET 235 HB3 -1.04 -0.02 -0.00 -0.04 2.03 0.93 2ok7B1 MET 235 HG2 -0.77 -0.05 0.04 -0.04 2.63 1.81 2ok7B1 MET 235 HG3 -1.32 -0.00 0.00 -0.04 2.56 1.20 2ok7B1 MET 235 HE3 -0.14 -0.04 -0.09 -0.04 2.10 1.79 2ok7B1 TYR 236 H -0.11 0.46 -0.30 -0.55 8.29 7.79 2ok7B1 TYR 236 HA -0.00 0.16 0.92 -0.75 4.56 4.88 2ok7B1 TYR 236 HB2 -0.27 0.07 0.17 -0.04 3.06 2.99 2ok7B1 TYR 236 HB3 0.02 -0.08 0.08 -0.04 2.98 2.96 2ok7B1 TYR 236 HD2 -0.09 -0.01 0.01 -0.04 7.15 7.02 2ok7B1 TYR 236 HE2 0.20 -0.02 -0.06 -0.04 6.85 6.93 2ok7B1 PRO 237 HA 0.05 0.23 0.58 -0.51 4.44 4.80 2ok7B1 PRO 237 HB2 0.04 -0.06 0.05 -0.04 2.28 2.26 2ok7B1 PRO 237 HB3 0.01 0.12 0.12 -0.04 2.02 2.24 2ok7B1 PRO 237 HG2 0.02 -0.05 0.02 -0.04 2.03 1.98 2ok7B1 PRO 237 HG3 -0.01 0.10 0.03 -0.04 2.03 2.10 2ok7B1 PRO 237 HD2 0.03 0.01 0.11 -0.04 3.68 3.79 2ok7B1 PRO 237 HD3 -0.06 0.30 -0.44 -0.04 3.65 3.41 2ok7B1 ASN 238 H 0.12 0.14 -0.13 -0.55 8.53 8.12 2ok7B1 ASN 238 HA 0.14 0.17 0.78 -0.75 4.76 5.10 2ok7B1 ASN 238 HB2 0.10 0.03 0.02 -0.04 2.88 2.99 2ok7B1 ASN 238 HB3 0.07 0.01 0.12 -0.04 2.79 2.94 2ok7B1 ASN 238 HD21 0.03 -0.04 -0.05 -0.04 7.03 6.92 2ok7B1 ASN 238 HD22 0.04 0.05 0.00 -0.04 7.74 7.80 2ok7B1 ASN 239 H 0.21 0.12 -0.35 -0.55 8.53 7.96 2ok7B1 ASN 239 HA 0.35 0.24 0.87 -0.75 4.76 5.46 2ok7B1 ASN 239 HB2 0.32 -0.02 0.01 -0.04 2.88 3.15 2ok7B1 ASN 239 HB3 0.40 0.05 0.02 -0.04 2.79 3.22 2ok7B1 ASN 239 HD21 0.09 -0.06 -0.06 -0.04 7.03 6.96 2ok7B1 ASN 239 HD22 0.12 0.38 -0.21 -0.04 7.74 8.00 2ok7B1 ILE 240 H 0.10 0.28 0.04 -0.55 8.25 8.13 2ok7B1 ILE 240 HA -0.22 0.23 0.92 -0.75 4.18 4.35 2ok7B1 ILE 240 HB -0.00 0.01 -0.22 -0.04 1.89 1.64 2ok7B1 ILE 240 HG12 -0.06 -0.08 -0.07 -0.04 1.49 1.23 2ok7B1 ILE 240 HG13 -0.03 0.06 0.08 -0.04 1.21 1.29 2ok7B1 ILE 240 HG23 0.02 0.03 -0.25 -0.04 0.93 0.68 2ok7B1 ILE 240 HD13 0.01 -0.03 -0.13 -0.04 0.88 0.69 2ok7B1 ASN 241 H -0.28 0.61 0.33 -0.55 8.53 8.64 2ok7B1 ASN 241 HA -0.14 0.10 0.55 -0.75 4.76 4.52 2ok7B1 ASN 241 HB2 -0.05 0.12 -0.11 -0.04 2.88 2.79 2ok7B1 ASN 241 HB3 -0.25 -0.07 0.06 -0.04 2.79 2.50 2ok7B1 ASN 241 HD21 -0.24 -0.03 -0.09 -0.04 7.03 6.62 2ok7B1 ASN 241 HD22 -0.26 -0.04 -0.12 -0.04 7.74 7.29 2ok7B1 ILE 242 H -0.24 0.24 0.12 -0.55 8.25 7.82 2ok7B1 ILE 242 HA -0.33 0.23 1.08 -0.75 4.18 4.40 2ok7B1 ILE 242 HB -0.26 -0.01 0.07 -0.04 1.89 1.66 2ok7B1 ILE 242 HG12 -0.11 0.01 -0.16 -0.04 1.49 1.19 2ok7B1 ILE 242 HG13 -0.11 -0.04 -0.34 -0.04 1.21 0.68 2ok7B1 ILE 242 HG23 -0.69 -0.03 -0.26 -0.04 0.93 -0.09 2ok7B1 ILE 242 HD13 0.06 0.00 -0.09 -0.04 0.88 0.81 2ok7B1 HIS 243 H -0.34 0.86 0.37 -0.55 8.41 8.75 2ok7B1 HIS 243 HA -0.10 0.12 0.90 -0.75 4.63 4.79 2ok7B1 HIS 243 HB2 -0.18 -0.04 0.24 -0.04 3.26 3.24 2ok7B1 HIS 243 HB3 0.01 -0.01 0.00 -0.04 3.20 3.16 2ok7B1 HIS 243 HD2 -1.04 0.03 -0.12 -0.04 6.97 5.79 2ok7B1 HIS 243 HE1 0.00 0.01 -0.07 -0.04 7.75 7.65 2ok7B1 TYR 244 H 0.05 0.22 0.12 -0.55 8.29 8.12 2ok7B1 TYR 244 HA -0.08 0.24 0.92 -0.75 4.56 4.88 2ok7B1 TYR 244 HB2 -0.30 0.01 0.11 -0.04 3.06 2.83 2ok7B1 TYR 244 HB3 -0.95 -0.05 -0.13 -0.04 2.98 1.81 2ok7B1 TYR 244 HD2 0.03 0.01 -0.07 -0.04 7.15 7.09 2ok7B1 TYR 244 HE2 0.32 0.01 -0.10 -0.04 6.85 7.03 2ok7B1 VAL 245 H -0.03 0.79 0.34 -0.55 8.24 8.78 2ok7B1 VAL 245 HA -0.02 0.15 0.78 -0.75 4.13 4.29 2ok7B1 VAL 245 HB 0.08 -0.13 0.11 -0.04 2.12 2.13 2ok7B1 VAL 245 HG13 0.15 0.00 -0.39 -0.04 0.97 0.69 2ok7B1 VAL 245 HG23 0.12 0.02 -0.20 -0.04 0.95 0.85 2ok7B1 PHE 246 H -0.05 0.21 0.09 -0.55 8.34 8.04 2ok7B1 PHE 246 HA 0.08 0.21 0.77 -0.75 4.62 4.93 2ok7B1 PHE 246 HB2 0.04 0.03 0.15 -0.04 3.15 3.33 2ok7B1 PHE 246 HB3 0.24 0.12 0.12 -0.04 3.06 3.50 2ok7B1 PHE 246 HD2 0.07 0.04 -0.26 -0.04 7.28 7.10 2ok7B1 PHE 246 HE2 -0.04 0.05 -0.21 -0.04 7.38 7.13 2ok7B1 PHE 246 HZ -0.25 0.04 -0.10 -0.04 7.32 6.97 2ok7B1 SER 247 H 0.18 0.35 0.47 -0.55 8.46 8.91 2ok7B1 SER 247 HA 0.02 0.21 0.66 -0.75 4.49 4.62 2ok7B1 SER 247 HB2 0.16 -0.05 0.11 -0.04 3.95 4.13 2ok7B1 SER 247 HB3 0.25 -0.04 0.02 -0.04 3.93 4.12 2ok7B1 TYR 248 H -0.02 0.30 0.10 -0.55 8.29 8.13 2ok7B1 TYR 248 HA -0.29 0.11 0.75 -0.75 4.56 4.38 2ok7B1 TYR 248 HB2 -0.39 0.03 0.10 -0.04 3.06 2.75 2ok7B1 TYR 248 HB3 -1.01 -0.05 0.07 -0.04 2.98 1.95 2ok7B1 TYR 248 HD2 -0.14 0.16 0.00 -0.04 7.15 7.13 2ok7B1 TYR 248 HE2 -0.18 -0.02 -0.05 -0.04 6.85 6.55 2ok7B1 LYS 249 H -0.12 0.24 0.17 -0.55 8.42 8.16 2ok7B1 LYS 249 HA -0.49 0.07 0.79 -0.75 4.32 3.93 2ok7B1 LYS 249 HB2 -0.12 0.02 0.01 -0.04 1.87 1.73 2ok7B1 LYS 249 HB3 -0.14 0.16 -0.02 -0.04 1.79 1.75 2ok7B1 LYS 249 HG2 -0.18 -0.11 -0.03 -0.04 1.46 1.11 2ok7B1 LYS 249 HG3 -0.20 0.22 -0.48 -0.04 1.46 0.97 2ok7B1 LYS 249 HD2 -0.09 0.07 -0.16 -0.04 1.69 1.46 2ok7B1 LYS 249 HD3 -0.10 -0.15 -0.20 -0.04 1.68 1.19 2ok7B1 LYS 249 HE2 -0.10 -0.01 -0.09 -0.04 2.99 2.76 2ok7B1 LYS 249 HE3 -0.08 -0.02 -0.06 -0.04 2.99 2.79 2ok7B1 GLN 250 H -0.23 0.00 0.13 -0.55 8.47 7.83 2ok7B1 GLN 250 HA -0.01 0.25 0.88 -0.75 4.36 4.73 2ok7B1 GLN 250 HB2 0.01 0.05 0.02 -0.04 2.15 2.19 2ok7B1 GLN 250 HB3 0.11 0.03 -0.02 -0.04 2.02 2.10 2ok7B1 GLN 250 HG2 -0.10 0.04 0.02 -0.04 2.40 2.32 2ok7B1 GLN 250 HG3 -0.15 -0.07 0.21 -0.04 2.39 2.34 2ok7B1 GLN 250 HE21 0.02 0.03 0.03 -0.04 6.97 7.01 2ok7B1 GLN 250 HE22 0.07 -0.00 0.02 -0.04 7.69 7.73 2ok7B1 ASN 251 H -0.06 0.04 0.17 -0.55 8.53 8.14 2ok7B1 ASN 251 HA -0.02 0.10 0.46 -0.75 4.76 4.54 2ok7B1 ASN 251 HB2 -0.05 -0.06 0.19 -0.04 2.88 2.92 2ok7B1 ASN 251 HB3 -0.04 0.03 -0.04 -0.04 2.79 2.70 2ok7B1 ASN 251 HD21 -0.01 0.03 0.03 -0.04 7.03 7.04 2ok7B1 ASN 251 HD22 -0.02 -0.03 0.07 -0.04 7.74 7.71 2ok7B1 SER 252 H -0.08 -0.02 -0.06 -0.55 8.46 7.76 2ok7B1 SER 252 HA -0.04 0.22 0.82 -0.75 4.49 4.73 2ok7B1 SER 252 HB2 -0.06 -0.05 0.07 -0.04 3.95 3.87 2ok7B1 SER 252 HB3 -0.06 0.05 0.01 -0.04 3.93 3.88 2ok7B1 ASP 253 H -0.04 0.15 0.05 -0.55 8.40 8.01 2ok7B1 ASP 253 HA -0.04 0.22 0.72 -0.75 4.63 4.77 2ok7B1 ASP 253 HB2 -0.01 0.02 0.20 -0.04 2.71 2.87 2ok7B1 ASP 253 HB3 -0.02 0.07 -0.02 -0.04 2.70 2.69 2ok7B1 ALA 254 H -0.06 -0.00 -0.35 -0.55 8.40 7.44 2ok7B1 ALA 254 HA -0.03 0.06 0.16 -0.75 4.34 3.78 2ok7B1 ALA 254 HB3 -0.06 -0.05 0.07 -0.04 1.41 1.33 2ok7B1 THR 255 H -0.02 0.01 0.06 -0.55 8.28 7.79 2ok7B1 THR 255 HA -0.01 0.10 0.37 -0.75 4.39 4.09 2ok7B1 THR 255 HB 0.02 0.15 0.05 -0.04 4.32 4.50 2ok7B1 THR 255 HG23 0.00 -0.05 0.11 -0.04 1.22 1.24 2ok7B1 SER 256 H -0.02 0.08 0.13 -0.55 8.46 8.10 2ok7B1 SER 256 HA -0.18 0.21 0.79 -0.75 4.49 4.56 2ok7B1 SER 256 HB2 -0.04 -0.03 0.12 -0.04 3.95 3.95 2ok7B1 SER 256 HB3 -0.30 -0.06 -0.04 -0.04 3.93 3.49 2ok7B1 PHE 257 H -0.31 0.30 0.00 -0.55 8.34 7.78 2ok7B1 PHE 257 HA -0.16 0.03 0.63 -0.75 4.62 4.37 2ok7B1 PHE 257 HB2 -0.12 0.02 -0.28 -0.04 3.15 2.72 2ok7B1 PHE 257 HB3 -0.13 0.08 0.05 -0.04 3.06 3.01 2ok7B1 PHE 257 HD2 -0.05 0.03 -0.12 -0.04 7.28 7.10 2ok7B1 PHE 257 HE2 -0.01 0.01 -0.08 -0.04 7.38 7.25 2ok7B1 PHE 257 HZ 0.00 0.08 -0.09 -0.04 7.32 7.27 2ok7B1 TYR 258 H -0.31 0.05 -0.02 -0.55 8.29 7.46 2ok7B1 TYR 258 HA -0.03 0.35 0.76 -0.75 4.56 4.89 2ok7B1 TYR 258 HB2 -0.10 -0.03 0.04 -0.04 3.06 2.92 2ok7B1 TYR 258 HB3 -0.05 -0.18 0.17 -0.04 2.98 2.88 2ok7B1 TYR 258 HD2 -0.02 0.03 -0.06 -0.04 7.15 7.06 2ok7B1 TYR 258 HE2 0.01 0.04 -0.05 -0.04 6.85 6.82 2ok7B1 VAL 259 H 0.12 0.16 0.11 -0.55 8.24 8.08 2ok7B1 VAL 259 HA 0.03 0.18 0.31 -0.75 4.13 3.89 2ok7B1 VAL 259 HB 0.10 0.01 0.06 -0.04 2.12 2.24 2ok7B1 VAL 259 HG13 0.04 0.00 -0.11 -0.04 0.97 0.86 2ok7B1 VAL 259 HG23 0.14 0.08 -0.16 -0.04 0.95 0.97 2ok7B1 GLN 260 H -0.04 0.01 -0.21 -0.55 8.47 7.69 2ok7B1 GLN 260 HA -0.16 0.18 0.31 -0.75 4.36 3.94 2ok7B1 GLN 260 HB2 -0.08 -0.02 -0.06 -0.04 2.15 1.95 2ok7B1 GLN 260 HB3 -0.08 0.10 -0.08 -0.04 2.02 1.92 2ok7B1 GLN 260 HG2 -0.02 0.13 -0.03 -0.04 2.40 2.44 2ok7B1 GLN 260 HG3 -0.04 0.01 -0.03 -0.04 2.39 2.29 2ok7B1 GLN 260 HE21 0.03 -0.01 -0.09 -0.04 6.97 6.85 2ok7B1 GLN 260 HE22 0.00 0.13 -0.12 -0.04 7.69 7.67 2ok7B1 ASP 261 H -0.28 0.06 -0.25 -0.55 8.40 7.38 2ok7B1 ASP 261 HA -0.11 0.16 0.61 -0.75 4.63 4.53 2ok7B1 ASP 261 HB2 -0.42 0.09 0.05 -0.04 2.71 2.40 2ok7B1 ASP 261 HB3 -0.24 0.06 0.02 -0.04 2.70 2.49 2ok7B1 GLU 262 H -0.33 0.20 -0.37 -0.55 8.60 7.55 2ok7B1 GLU 262 HA 0.19 0.12 0.62 -0.75 4.29 4.46 2ok7B1 GLU 262 HB2 -0.01 0.09 0.03 -0.04 2.09 2.16 2ok7B1 GLU 262 HB3 0.05 0.08 -0.12 -0.04 1.99 1.96 2ok7B1 GLU 262 HG2 0.53 0.00 -0.04 -0.04 2.34 2.79 2ok7B1 GLU 262 HG3 0.19 0.01 -0.13 -0.04 2.34 2.37 2ok7B1 ILE 263 H -0.22 0.30 -0.23 -0.55 8.25 7.55 2ok7B1 ILE 263 HA -0.41 0.09 0.45 -0.75 4.18 3.55 2ok7B1 ILE 263 HB -0.43 0.06 0.17 -0.04 1.89 1.64 2ok7B1 ILE 263 HG12 -1.58 0.01 -0.01 -0.04 1.49 -0.13 2ok7B1 ILE 263 HG13 -0.70 -0.00 0.02 -0.04 1.21 0.49 2ok7B1 ILE 263 HG23 -1.23 -0.00 -0.14 -0.04 0.93 -0.48 2ok7B1 ILE 263 HD13 -0.52 -0.03 -0.07 -0.04 0.88 0.22 2ok7B1 TYR 264 H -0.06 0.37 -0.12 -0.55 8.29 7.93 2ok7B1 TYR 264 HA -0.10 0.07 0.43 -0.75 4.56 4.21 2ok7B1 TYR 264 HB2 -0.12 0.06 0.09 -0.04 3.06 3.04 2ok7B1 TYR 264 HB3 -0.09 0.01 0.05 -0.04 2.98 2.92 2ok7B1 TYR 264 HD2 -0.03 0.04 -0.10 -0.04 7.15 7.02 2ok7B1 TYR 264 HE2 -0.00 0.02 -0.02 -0.04 6.85 6.80 2ok7B1 LYS 265 H 0.07 0.25 -0.54 -0.55 8.42 7.65 2ok7B1 LYS 265 HA 0.11 0.00 0.39 -0.75 4.32 4.06 2ok7B1 LYS 265 HB2 0.28 0.15 0.20 -0.04 1.87 2.46 2ok7B1 LYS 265 HB3 0.12 0.15 0.07 -0.04 1.79 2.09 2ok7B1 LYS 265 HG2 0.07 -0.02 -0.04 -0.04 1.46 1.43 2ok7B1 LYS 265 HG3 0.14 -0.04 0.05 -0.04 1.46 1.57 2ok7B1 LYS 265 HD2 0.22 -0.01 0.02 -0.04 1.69 1.89 2ok7B1 LYS 265 HD3 0.08 0.01 -0.04 -0.04 1.68 1.69 2ok7B1 LYS 265 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.92 2ok7B1 LYS 265 HE3 -0.05 -0.02 -0.01 -0.04 2.99 2.87 2ok7B1 ARG 266 H -0.02 0.35 -0.46 -0.55 8.46 7.78 2ok7B1 ARG 266 HA -0.01 0.11 0.78 -0.75 4.34 4.47 2ok7B1 ARG 266 HB2 0.02 0.03 -0.04 -0.04 1.90 1.87 2ok7B1 ARG 266 HB3 0.03 0.03 0.17 -0.04 1.80 1.99 2ok7B1 ARG 266 HG2 0.05 -0.23 0.07 -0.04 1.67 1.51 2ok7B1 ARG 266 HG3 0.03 0.05 0.07 -0.04 1.67 1.78 2ok7B1 ARG 266 HD2 0.05 0.01 0.00 -0.04 3.22 3.24 2ok7B1 ARG 266 HD3 0.03 0.04 -0.01 -0.04 3.22 3.23 2ok7B1 LYS 267 H -0.13 0.34 -0.21 -0.55 8.42 7.87 2ok7B1 LYS 267 HA -0.00 0.20 0.46 -0.75 4.32 4.23 2ok7B1 LYS 267 HB2 -0.13 -0.02 0.10 -0.04 1.87 1.79 2ok7B1 LYS 267 HB3 -0.38 0.13 0.18 -0.04 1.79 1.68 2ok7B1 LYS 267 HG2 -0.33 0.05 0.06 -0.04 1.46 1.21 2ok7B1 LYS 267 HG3 -0.13 -0.04 -0.19 -0.04 1.46 1.06 2ok7B1 LYS 267 HD2 -0.21 0.02 0.01 -0.04 1.69 1.48 2ok7B1 LYS 267 HD3 -0.79 -0.00 0.03 -0.04 1.68 0.88 2ok7B1 LYS 267 HE2 -0.08 -0.01 -0.05 -0.04 2.99 2.82 2ok7B1 LYS 267 HE3 -0.08 0.02 -0.00 -0.04 2.99 2.89 2ok7B1 THR 268 H -0.01 0.09 -0.14 -0.55 8.28 7.67 2ok7B1 THR 268 HA 0.03 0.17 0.52 -0.75 4.39 4.35 2ok7B1 THR 268 HB 0.02 0.04 -0.03 -0.04 4.32 4.32 2ok7B1 THR 268 HG23 -0.01 0.02 0.02 -0.04 1.22 1.21 2ok7B1 GLU 269 H 0.06 0.12 -0.11 -0.55 8.60 8.13 2ok7B1 GLU 269 HA 0.07 0.08 0.37 -0.75 4.29 4.05 2ok7B1 GLU 269 HB2 0.06 -0.04 0.09 -0.04 2.09 2.16 2ok7B1 GLU 269 HB3 0.11 0.09 -0.03 -0.04 1.99 2.12 2ok7B1 GLU 269 HG2 0.06 -0.01 0.03 -0.04 2.34 2.38 2ok7B1 GLU 269 HG3 0.06 0.02 -0.00 -0.04 2.34 2.38 2ok7B1 PHE 270 H 0.21 0.31 -0.30 -0.55 8.34 8.02 2ok7B1 PHE 270 HA 0.10 0.06 0.55 -0.75 4.62 4.59 2ok7B1 PHE 270 HB2 -0.01 0.04 0.10 -0.04 3.15 3.23 2ok7B1 PHE 270 HB3 -0.04 0.09 0.11 -0.04 3.06 3.19 2ok7B1 PHE 270 HD2 -0.03 0.04 -0.07 -0.04 7.28 7.18 2ok7B1 PHE 270 HE2 -0.10 0.01 -0.08 -0.04 7.38 7.17 2ok7B1 PHE 270 HZ -0.13 -0.02 -0.09 -0.04 7.32 7.03 2ok7B1 LEU 271 H 0.14 0.46 -0.17 -0.55 8.37 8.25 2ok7B1 LEU 271 HA -0.12 0.04 0.54 -0.75 4.35 4.06 2ok7B1 LEU 271 HB2 0.05 0.12 0.21 -0.04 1.64 1.98 2ok7B1 LEU 271 HB3 0.04 -0.04 0.01 -0.04 1.64 1.62 2ok7B1 LEU 271 HG 0.15 -0.03 0.02 -0.04 1.64 1.73 2ok7B1 LEU 271 HD13 0.04 0.03 -0.01 -0.04 0.93 0.95 2ok7B1 LEU 271 HD23 0.03 0.01 -0.08 -0.04 0.89 0.80 2ok7B1 ASN 272 H 0.05 0.39 -0.26 -0.55 8.53 8.16 2ok7B1 ASN 272 HA 0.05 0.02 0.53 -0.75 4.76 4.61 2ok7B1 ASN 272 HB2 0.06 0.06 0.17 -0.04 2.88 3.13 2ok7B1 ASN 272 HB3 0.09 -0.01 -0.02 -0.04 2.79 2.80 2ok7B1 ASN 272 HD21 0.04 -0.03 -0.06 -0.04 7.03 6.94 2ok7B1 ASN 272 HD22 0.06 0.00 -0.04 -0.04 7.74 7.72 2ok7B1 LEU 273 H 0.02 0.42 -0.23 -0.55 8.37 8.03 2ok7B1 LEU 273 HA 0.04 0.03 0.40 -0.75 4.35 4.07 2ok7B1 LEU 273 HB2 -0.02 0.15 0.16 -0.04 1.64 1.89 2ok7B1 LEU 273 HB3 0.01 -0.01 -0.08 -0.04 1.64 1.52 2ok7B1 LEU 273 HG 0.02 0.09 0.06 -0.04 1.64 1.77 2ok7B1 LEU 273 HD13 0.19 -0.03 -0.03 -0.04 0.93 1.03 2ok7B1 LEU 273 HD23 -0.11 -0.00 -0.06 -0.04 0.89 0.68 2ok7B1 PHE 274 H -0.02 0.40 -0.22 -0.55 8.34 7.94 2ok7B1 PHE 274 HA -0.10 0.00 0.41 -0.75 4.62 4.18 2ok7B1 PHE 274 HB2 -0.42 0.00 0.05 -0.04 3.15 2.75 2ok7B1 PHE 274 HB3 -0.22 0.06 0.08 -0.04 3.06 2.94 2ok7B1 PHE 274 HD2 -0.09 -0.02 -0.12 -0.04 7.28 7.00 2ok7B1 PHE 274 HE2 -0.04 -0.03 -0.06 -0.04 7.38 7.20 2ok7B1 PHE 274 HZ -0.05 0.02 -0.02 -0.04 7.32 7.23 2ok7B1 ASN 275 H 0.04 0.36 -0.28 -0.55 8.53 8.10 2ok7B1 ASN 275 HA -0.13 0.16 0.78 -0.75 4.76 4.80 2ok7B1 ASN 275 HB2 0.03 0.03 0.18 -0.04 2.88 3.08 2ok7B1 ASN 275 HB3 -0.01 -0.05 0.01 -0.04 2.79 2.69 2ok7B1 ASN 275 HD21 0.09 -0.03 0.02 -0.04 7.03 7.07 2ok7B1 ASN 275 HD22 0.06 0.02 -0.03 -0.04 7.74 7.75 2ok7B1 ASN 276 H 0.05 0.55 0.17 -0.55 8.53 8.75 2ok7B1 ASN 276 HA -0.07 0.07 0.47 -0.75 4.76 4.48 2ok7B1 ASN 276 HB2 0.15 0.11 0.10 -0.04 2.88 3.19 2ok7B1 ASN 276 HB3 -0.10 -0.03 0.07 -0.04 2.79 2.68 2ok7B1 ASN 276 HD21 0.03 -0.05 0.04 -0.04 7.03 7.01 2ok7B1 ASN 276 HD22 0.09 0.01 0.04 -0.04 7.74 7.84 2ok7B1 TYR 277 H 0.16 0.26 -0.17 -0.55 8.29 7.99 2ok7B1 TYR 277 HA -0.07 0.17 0.75 -0.75 4.56 4.66 2ok7B1 TYR 277 HB2 -0.03 0.16 0.13 -0.04 3.06 3.29 2ok7B1 TYR 277 HB3 -0.04 -0.03 0.12 -0.04 2.98 2.99 2ok7B1 TYR 277 HD2 -0.03 0.02 -0.03 -0.04 7.15 7.07 2ok7B1 TYR 277 HE2 -0.07 -0.02 -0.05 -0.04 6.85 6.67 2ok7B1 LYS 278 H -0.09 0.12 -0.57 -0.55 8.42 7.33 2ok7B1 LYS 278 HA -0.26 0.16 0.28 -0.75 4.32 3.75 2ok7B1 LYS 278 HB2 -0.12 0.04 -0.19 -0.04 1.87 1.56 2ok7B1 LYS 278 HB3 -0.15 -0.06 0.17 -0.04 1.79 1.71 2ok7B1 LYS 278 HG2 -0.15 -0.01 0.05 -0.04 1.46 1.30 2ok7B1 LYS 278 HG3 -0.13 0.11 -0.07 -0.04 1.46 1.33 2ok7B1 LYS 278 HD2 -0.10 0.01 -0.05 -0.04 1.69 1.51 2ok7B1 LYS 278 HD3 -0.10 -0.05 0.00 -0.04 1.68 1.49 2ok7B1 LYS 278 HE2 -0.09 -0.03 0.02 -0.04 2.99 2.84 2ok7B1 LYS 278 HE3 -0.09 0.05 0.01 -0.04 2.99 2.91 2ok7B1 CYS 279 H -0.22 0.15 -0.06 -0.55 8.50 7.83 2ok7B1 CYS 279 HA -0.13 0.20 0.30 -0.75 4.58 4.20 2ok7B1 CYS 279 HB2 0.02 -0.07 -0.15 -0.04 2.97 2.73 2ok7B1 CYS 279 HB3 0.10 -0.05 -0.33 -0.04 2.97 2.65 2ok7B1 GLU 280 H -0.11 0.61 0.35 -0.55 8.60 8.90 2ok7B1 GLU 280 HA 0.11 0.15 0.92 -0.75 4.29 4.72 2ok7B1 GLU 280 HB2 0.42 -0.04 0.20 -0.04 2.09 2.63 2ok7B1 GLU 280 HB3 0.31 0.04 0.08 -0.04 1.99 2.38 2ok7B1 GLU 280 HG2 -0.06 0.08 0.05 -0.04 2.34 2.37 2ok7B1 GLU 280 HG3 0.11 -0.09 0.06 -0.04 2.34 2.38 2ok7B1 LEU 281 H 0.20 0.68 0.27 -0.55 8.37 8.97 2ok7B1 LEU 281 HA 0.28 0.13 0.85 -0.75 4.35 4.85 2ok7B1 LEU 281 HB2 0.24 0.06 -0.02 -0.04 1.64 1.88 2ok7B1 LEU 281 HB3 0.07 -0.11 0.07 -0.04 1.64 1.64 2ok7B1 LEU 281 HG 0.20 0.01 -0.02 -0.04 1.64 1.80 2ok7B1 LEU 281 HD13 -0.05 -0.00 -0.08 -0.04 0.93 0.76 2ok7B1 LEU 281 HD23 0.00 -0.03 -0.15 -0.04 0.89 0.67 2ok7B1 TYR 282 H 0.43 0.50 0.36 -0.55 8.29 9.02 2ok7B1 TYR 282 HA 0.46 0.20 1.03 -0.75 4.56 5.49 2ok7B1 TYR 282 HB2 0.50 0.09 0.23 -0.04 3.06 3.84 2ok7B1 TYR 282 HB3 0.67 -0.09 -0.04 -0.04 2.98 3.48 2ok7B1 TYR 282 HD2 -0.17 0.03 -0.20 -0.04 7.15 6.78 2ok7B1 TYR 282 HE2 -0.16 -0.00 -0.22 -0.04 6.85 6.43 2ok7B1 ILE 283 H 0.64 0.66 0.30 -0.55 8.25 9.31 2ok7B1 ILE 283 HA 0.40 0.20 0.97 -0.75 4.18 5.00 2ok7B1 ILE 283 HB 0.19 -0.00 0.16 -0.04 1.89 2.19 2ok7B1 ILE 283 HG12 0.15 -0.02 -0.11 -0.04 1.49 1.47 2ok7B1 ILE 283 HG13 0.22 0.02 -0.50 -0.04 1.21 0.91 2ok7B1 ILE 283 HG23 0.09 -0.05 -0.24 -0.04 0.93 0.69 2ok7B1 ILE 283 HD13 0.05 -0.01 -0.15 -0.04 0.88 0.73 2ok7B1 CYS 284 H 0.40 0.75 0.28 -0.55 8.50 9.38 2ok7B1 CYS 284 HA -0.07 0.26 0.85 -0.75 4.58 4.86 2ok7B1 CYS 284 HB2 -0.05 0.02 -0.02 -0.04 2.97 2.88 2ok7B1 CYS 284 HB3 -0.07 0.12 0.22 -0.04 2.97 3.20 2ok7B1 GLY 285 H -0.16 0.44 0.29 -0.55 8.43 8.45 2ok7B1 GLY 285 HA2 -0.33 0.03 0.47 -0.51 4.01 3.67 2ok7B1 GLY 285 HA3 -0.04 -0.01 0.82 -0.51 4.01 4.27 2ok7B1 HIS 286 H 0.04 0.10 0.18 -0.55 8.41 8.19 2ok7B1 HIS 286 HA -0.16 0.35 0.77 -0.75 4.63 4.83 2ok7B1 HIS 286 HB2 -0.12 -0.02 0.16 -0.04 3.26 3.24 2ok7B1 HIS 286 HB3 -0.10 -0.08 0.07 -0.04 3.20 3.05 2ok7B1 HIS 286 HD2 -0.22 -0.12 -0.11 -0.04 6.97 6.47 2ok7B1 HIS 286 HE1 0.01 0.03 0.03 -0.04 7.75 7.78 2ok7B1 LYS 287 H -0.11 0.27 0.18 -0.55 8.42 8.21 2ok7B1 LYS 287 HA -0.04 0.08 0.16 -0.75 4.32 3.77 2ok7B1 LYS 287 HB2 0.00 0.05 0.10 -0.04 1.87 1.99 2ok7B1 LYS 287 HB3 -0.06 0.07 0.10 -0.04 1.79 1.86 2ok7B1 LYS 287 HG2 -0.03 0.00 0.06 -0.04 1.46 1.45 2ok7B1 LYS 287 HG3 0.04 -0.01 -0.17 -0.04 1.46 1.29 2ok7B1 LYS 287 HD2 0.09 0.01 -0.03 -0.04 1.69 1.72 2ok7B1 LYS 287 HD3 0.01 0.04 0.00 -0.04 1.68 1.69 2ok7B1 LYS 287 HE2 0.04 0.05 -0.02 -0.04 2.99 3.02 2ok7B1 LYS 287 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.95 2ok7B1 SER 288 H 0.03 0.07 -0.32 -0.55 8.46 7.69 2ok7B1 SER 288 HA 0.10 0.12 0.36 -0.75 4.49 4.32 2ok7B1 SER 288 HB2 -0.01 -0.02 -0.08 -0.04 3.95 3.80 2ok7B1 SER 288 HB3 0.03 0.06 0.05 -0.04 3.93 4.03 2ok7B1 ILE 289 H 0.01 0.38 -0.26 -0.55 8.25 7.84 2ok7B1 ILE 289 HA -0.01 0.01 0.45 -0.75 4.18 3.88 2ok7B1 ILE 289 HB 0.02 0.09 -0.08 -0.04 1.89 1.88 2ok7B1 ILE 289 HG12 -0.00 -0.12 -0.05 -0.04 1.49 1.28 2ok7B1 ILE 289 HG13 -0.00 -0.04 0.01 -0.04 1.21 1.13 2ok7B1 ILE 289 HG23 0.01 0.01 -0.12 -0.04 0.93 0.79 2ok7B1 ILE 289 HD13 0.04 0.01 -0.12 -0.04 0.88 0.78 2ok7B1 ARG 290 H -0.04 0.27 -0.28 -0.55 8.46 7.86 2ok7B1 ARG 290 HA -0.08 0.07 0.19 -0.75 4.34 3.77 2ok7B1 ARG 290 HB2 -0.17 -0.02 0.09 -0.04 1.90 1.76 2ok7B1 ARG 290 HB3 -0.50 0.02 0.12 -0.04 1.80 1.39 2ok7B1 ARG 290 HG2 -0.29 0.01 -0.14 -0.04 1.67 1.21 2ok7B1 ARG 290 HG3 -0.16 -0.00 -0.03 -0.04 1.67 1.44 2ok7B1 ARG 290 HD2 -0.33 -0.02 -0.02 -0.04 3.22 2.81 2ok7B1 ARG 290 HD3 -1.05 -0.01 -0.08 -0.04 3.22 2.05 2ok7B1 TYR 291 H 0.02 0.18 -0.14 -0.55 8.29 7.80 2ok7B1 TYR 291 HA -0.00 0.11 0.29 -0.75 4.56 4.20 2ok7B1 TYR 291 HB2 -0.01 0.01 0.05 -0.04 3.06 3.07 2ok7B1 TYR 291 HB3 -0.01 0.04 -0.02 -0.04 2.98 2.96 2ok7B1 TYR 291 HD2 -0.00 0.02 -0.00 -0.04 7.15 7.12 2ok7B1 TYR 291 HE2 -0.00 0.01 -0.03 -0.04 6.85 6.79 2ok7B1 LYS 292 H 0.08 0.21 -0.18 -0.55 8.42 7.98 2ok7B1 LYS 292 HA 0.03 0.08 0.28 -0.75 4.32 3.96 2ok7B1 LYS 292 HB2 0.02 0.09 0.11 -0.04 1.87 2.05 2ok7B1 LYS 292 HB3 -0.02 -0.01 -0.02 -0.04 1.79 1.70 2ok7B1 LYS 292 HG2 -0.07 0.02 -0.09 -0.04 1.46 1.29 2ok7B1 LYS 292 HG3 -0.05 0.04 0.01 -0.04 1.46 1.42 2ok7B1 LYS 292 HD2 -0.03 0.03 -0.03 -0.04 1.69 1.63 2ok7B1 LYS 292 HD3 -0.05 -0.13 -0.08 -0.04 1.68 1.39 2ok7B1 LYS 292 HE2 -0.13 0.07 -0.05 -0.04 2.99 2.83 2ok7B1 LYS 292 HE3 -0.08 -0.02 -0.05 -0.04 2.99 2.80 2ok7B1 VAL 293 H -0.01 0.38 -0.26 -0.55 8.24 7.81 2ok7B1 VAL 293 HA -0.05 0.12 0.66 -0.75 4.13 4.11 2ok7B1 VAL 293 HB -0.02 0.11 0.04 -0.04 2.12 2.21 2ok7B1 VAL 293 HG13 0.02 0.01 -0.13 -0.04 0.97 0.83 2ok7B1 VAL 293 HG23 -0.14 -0.02 -0.04 -0.04 0.95 0.71 2ok7B1 MET 294 H -0.00 0.40 -0.04 -0.55 8.47 8.27 2ok7B1 MET 294 HA -0.02 0.07 0.43 -0.75 4.52 4.25 2ok7B1 MET 294 HB2 -0.02 0.08 0.15 -0.04 2.15 2.32 2ok7B1 MET 294 HB3 -0.00 -0.03 0.02 -0.04 2.03 1.97 2ok7B1 MET 294 HG2 -0.04 -0.04 -0.02 -0.04 2.63 2.50 2ok7B1 MET 294 HG3 -0.07 0.02 0.01 -0.04 2.56 2.47 2ok7B1 MET 294 HE3 -0.05 -0.01 -0.05 -0.04 2.10 1.95 2ok7B1 ASP 295 H 0.05 0.37 -0.34 -0.55 8.40 7.93 2ok7B1 ASP 295 HA 0.04 0.07 0.73 -0.75 4.63 4.71 2ok7B1 ASP 295 HB2 0.06 0.06 0.01 -0.04 2.71 2.79 2ok7B1 ASP 295 HB3 0.05 -0.02 0.05 -0.04 2.70 2.74 2ok7B1 ILE 296 H 0.05 0.21 -0.38 -0.55 8.25 7.58 2ok7B1 ILE 296 HA 0.08 0.08 0.61 -0.75 4.18 4.20 2ok7B1 ILE 296 HB 0.09 0.18 0.15 -0.04 1.89 2.26 2ok7B1 ILE 296 HG12 0.16 -0.04 0.04 -0.04 1.49 1.61 2ok7B1 ILE 296 HG13 0.13 0.10 0.07 -0.04 1.21 1.46 2ok7B1 ILE 296 HG23 0.10 -0.01 -0.07 -0.04 0.93 0.90 2ok7B1 ILE 296 HD13 0.02 -0.04 -0.03 -0.04 0.88 0.79 2ok7B1 LEU 297 H 0.02 0.17 -0.21 -0.55 8.37 7.82 2ok7B1 LEU 297 HA 0.00 0.07 0.41 -0.75 4.35 4.08 2ok7B1 LEU 297 HB2 -0.04 0.09 0.05 -0.04 1.64 1.69 2ok7B1 LEU 297 HB3 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2ok7B1 LEU 297 HG -0.07 0.11 0.02 -0.04 1.64 1.66 2ok7B1 LEU 297 HD13 -0.28 -0.02 -0.06 -0.04 0.93 0.53 2ok7B1 LEU 297 HD23 -0.52 -0.00 -0.06 -0.04 0.89 0.26 2ok7B1 LYS 298 H 0.02 0.12 -0.36 -0.55 8.42 7.65 2ok7B1 LYS 298 HA 0.03 0.12 0.36 -0.75 4.32 4.07 2ok7B1 LYS 298 HB2 0.03 0.02 0.11 -0.04 1.87 2.00 2ok7B1 LYS 298 HB3 0.03 -0.04 0.06 -0.04 1.79 1.80 2ok7B1 LYS 298 HG2 0.02 -0.01 0.01 -0.04 1.46 1.44 2ok7B1 LYS 298 HG3 0.02 0.15 0.04 -0.04 1.46 1.63 2ok7B1 LYS 298 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.65 2ok7B1 LYS 298 HD3 0.03 -0.02 0.02 -0.04 1.68 1.66 2ok7B1 LYS 298 HE2 0.02 0.01 0.03 -0.04 2.99 3.01 2ok7B1 LYS 298 HE3 0.02 -0.00 0.00 -0.04 2.99 2.97 2ok7B1 LYS 306 HA -0.00 0.01 0.25 -0.75 4.32 3.83 2ok7B1 LYS 307 H 0.02 0.21 0.14 -0.55 8.42 8.24 2ok7B1 LYS 307 HA -0.00 0.19 0.82 -0.75 4.32 4.58 2ok7B1 LYS 307 HB2 0.07 0.01 0.08 -0.04 1.87 1.99 2ok7B1 LYS 307 HB3 0.07 0.05 0.17 -0.04 1.79 2.04 2ok7B1 LYS 307 HG2 -0.03 0.06 0.02 -0.04 1.46 1.47 2ok7B1 LYS 307 HG3 0.00 -0.07 -0.10 -0.04 1.46 1.26 2ok7B1 LYS 307 HD2 0.04 -0.01 0.04 -0.04 1.69 1.72 2ok7B1 LYS 307 HD3 0.01 0.05 0.03 -0.04 1.68 1.74 2ok7B1 LYS 307 HE2 -0.03 0.03 0.01 -0.04 2.99 2.96 2ok7B1 LYS 307 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2ok7B1 LYS 308 H 0.01 0.23 -0.18 -0.55 8.42 7.94 2ok7B1 LYS 308 HA 0.03 0.12 0.46 -0.75 4.32 4.17 2ok7B1 LYS 308 HB2 0.00 0.07 0.07 -0.04 1.87 1.98 2ok7B1 LYS 308 HB3 -0.01 0.01 0.05 -0.04 1.79 1.80 2ok7B1 LYS 308 HG2 0.01 -0.01 0.02 -0.04 1.46 1.44 2ok7B1 LYS 308 HG3 0.02 -0.04 -0.05 -0.04 1.46 1.35 2ok7B1 LYS 308 HD2 0.01 0.14 0.06 -0.04 1.69 1.86 2ok7B1 LYS 308 HD3 0.01 -0.03 0.03 -0.04 1.68 1.64 2ok7B1 LYS 308 HE2 0.02 -0.02 0.05 -0.04 2.99 3.00 2ok7B1 LYS 308 HE3 0.02 -0.01 0.17 -0.04 2.99 3.13 2ok7B1 LYS 309 H -0.01 0.14 -0.26 -0.55 8.42 7.73 2ok7B1 LYS 309 HA -0.07 0.12 0.43 -0.75 4.32 4.05 2ok7B1 LYS 309 HB2 -0.01 0.01 0.10 -0.04 1.87 1.93 2ok7B1 LYS 309 HB3 -0.01 -0.03 0.06 -0.04 1.79 1.76 2ok7B1 LYS 309 HG2 -0.01 0.07 -0.01 -0.04 1.46 1.47 2ok7B1 LYS 309 HG3 -0.02 0.05 -0.21 -0.04 1.46 1.24 2ok7B1 LYS 309 HD2 0.00 -0.04 -0.00 -0.04 1.69 1.61 2ok7B1 LYS 309 HD3 -0.01 0.01 -0.02 -0.04 1.68 1.62 2ok7B1 LYS 309 HE2 0.01 0.04 -0.14 -0.04 2.99 2.86 2ok7B1 LYS 309 HE3 0.03 0.03 -0.13 -0.04 2.99 2.87 2ok7B1 ARG 310 H -0.01 0.15 -0.47 -0.55 8.46 7.57 2ok7B1 ARG 310 HA -0.03 0.09 0.60 -0.75 4.34 4.24 2ok7B1 ARG 310 HB2 0.12 0.14 0.08 -0.04 1.90 2.20 2ok7B1 ARG 310 HB3 0.04 0.09 0.20 -0.04 1.80 2.09 2ok7B1 ARG 310 HG2 -0.05 -0.03 -0.03 -0.04 1.67 1.52 2ok7B1 ARG 310 HG3 -0.05 -0.10 -0.02 -0.04 1.67 1.46 2ok7B1 ARG 310 HD2 -0.28 0.26 -0.09 -0.04 3.22 3.07 2ok7B1 ARG 310 HD3 -0.16 -0.04 -0.05 -0.04 3.22 2.93 2ok7B1 VAL 311 H -0.12 0.30 -0.28 -0.55 8.24 7.59 2ok7B1 VAL 311 HA -0.06 0.14 0.81 -0.75 4.13 4.27 2ok7B1 VAL 311 HB -0.06 0.07 0.10 -0.04 2.12 2.18 2ok7B1 VAL 311 HG13 -0.01 -0.04 -0.12 -0.04 0.97 0.76 2ok7B1 VAL 311 HG23 -0.02 -0.01 -0.03 -0.04 0.95 0.85 2ok7B1 HIS 312 H 0.03 0.51 0.31 -0.55 8.41 8.71 2ok7B1 HIS 312 HA 0.12 0.15 0.88 -0.75 4.63 5.03 2ok7B1 HIS 312 HB2 -0.17 -0.08 0.10 -0.04 3.26 3.07 2ok7B1 HIS 312 HB3 0.27 -0.08 0.05 -0.04 3.20 3.40 2ok7B1 HIS 312 HD2 -0.96 0.16 -0.15 -0.04 6.97 5.98 2ok7B1 HIS 312 HE1 0.01 -0.05 0.01 -0.04 7.75 7.68 2ok7B1 VAL 313 H 0.34 0.26 0.18 -0.55 8.24 8.46 2ok7B1 VAL 313 HA 0.27 0.26 1.06 -0.75 4.13 4.97 2ok7B1 VAL 313 HB 0.09 0.05 -0.22 -0.04 2.12 2.00 2ok7B1 VAL 313 HG13 0.06 0.01 0.01 -0.04 0.97 1.01 2ok7B1 VAL 313 HG23 0.00 -0.04 -0.10 -0.04 0.95 0.77 2ok7B1 GLU 314 H -0.17 0.71 0.25 -0.55 8.60 8.84 2ok7B1 GLU 314 HA -0.10 0.09 0.66 -0.75 4.29 4.18 2ok7B1 GLU 314 HB2 -1.14 0.03 -0.05 -0.04 2.09 0.89 2ok7B1 GLU 314 HB3 -0.56 -0.06 0.22 -0.04 1.99 1.55 2ok7B1 GLU 314 HG2 -0.08 -0.02 0.03 -0.04 2.34 2.23 2ok7B1 GLU 314 HG3 -0.05 0.05 0.16 -0.04 2.34 2.46 2ok7B1 VAL 315 H -0.03 0.21 0.09 -0.55 8.24 7.95 2ok7B1 VAL 315 HA -0.11 0.18 1.05 -0.75 4.13 4.50 2ok7B1 VAL 315 HB -0.09 -0.06 -0.08 -0.04 2.12 1.85 2ok7B1 VAL 315 HG13 -0.05 -0.02 -0.31 -0.04 0.97 0.55 2ok7B1 VAL 315 HG23 -0.04 0.01 0.02 -0.04 0.95 0.90 2ok7B1 TYR 316 H -0.36 0.59 0.27 -0.55 8.29 8.24 2ok7B1 TYR 316 HA -0.11 0.21 0.64 -0.75 4.56 4.54 2ok7B1 TYR 316 HB2 -0.08 0.02 0.08 -0.04 3.06 3.04 2ok7B1 TYR 316 HB3 -0.08 0.11 -0.20 -0.04 2.98 2.77 2ok7B1 TYR 316 HD2 -0.04 0.02 -0.09 -0.04 7.15 7.00 2ok7B1 TYR 316 HE2 0.01 0.01 0.03 -0.04 6.85 6.86