============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 3 1.000 7.441 34.475 83.302 -99.200 -91.000 HIS 4 0.900 8.465 38.458 89.767 -99.200 -91.000 TRP 8 1.040 6.195 33.702 77.623 -99.200 -91.000 TRP6 8 1.020 5.522 35.954 77.315 -99.200 -91.000 TYR 17 0.840 2.061 10.974 74.213 -99.200 -91.000 HIS 32 0.900 14.936 -2.287 73.208 -99.200 -91.000 TYR 42 0.840 18.944 18.076 70.768 -99.200 -91.000 HIS 44 0.900 13.093 22.095 72.522 -99.200 -91.000 PHE 65 1.000 28.196 17.849 80.334 -99.200 -91.000 PHE 105 1.000 36.225 7.391 73.483 -99.200 -91.000 TRP 109 1.040 37.531 6.054 80.269 -99.200 -91.000 TRP6 109 1.020 36.115 4.703 81.605 -99.200 -91.000 TYR 117 0.840 33.256 0.297 90.565 -99.200 -91.000 PHE 121 1.000 26.467 0.307 94.214 -99.200 -91.000 HIS 124 0.900 24.773 -2.452 83.307 -99.200 -91.000 PHE 125 1.000 32.344 0.264 80.962 -99.200 -91.000 HIS 126 0.900 24.985 1.288 75.433 -99.200 -91.000 HIS 154 0.900 36.271 -4.771 87.223 -99.200 -91.000 HIS 156 0.900 32.025 -5.999 90.770 -99.200 -91.000 PHE 157 1.000 35.358 -2.159 84.417 -99.200 -91.000 TYR 163 0.840 27.144 4.784 70.773 -99.200 -91.000 HIS 165 0.900 25.617 10.568 65.472 -99.200 -91.000 PHE 166 1.000 24.336 5.955 60.249 -99.200 -91.000 TYR 176 0.840 31.158 9.669 54.911 -99.200 -91.000 PHE 177 1.000 22.401 6.188 56.447 -99.200 -91.000 TYR 179 0.840 32.972 4.436 54.369 -99.200 -91.000 TYR 181 0.840 23.180 -0.482 57.561 -99.200 -91.000 PHE 184 1.000 27.230 -0.349 63.925 -99.200 -91.000 HIS 186 0.900 35.320 -5.152 57.965 -99.200 -91.000 TRP 190 1.040 36.857 -5.911 63.066 -99.200 -91.000 TRP6 190 1.020 37.311 -3.590 63.013 -99.200 -91.000 HIS 199 0.900 23.078 2.523 70.535 -99.200 -91.000 PHE 209 1.000 17.336 5.528 54.335 -99.200 -91.000 PHE 214 1.000 22.473 -2.616 62.906 -99.200 -91.000 PHE 219 1.000 12.545 10.890 67.094 -99.200 -91.000 TYR 224 0.840 14.296 18.116 71.548 -99.200 -91.000 TYR 238 0.840 6.538 10.844 62.601 -99.200 -91.000 PHE 244 1.000 12.455 27.413 72.405 -99.200 -91.000 HIS 247 0.900 5.516 33.186 72.649 -99.200 -91.000 HIS 252 0.900 9.598 54.321 76.197 -99.200 -91.000 TYR 264 0.840 25.142 50.228 73.184 -99.200 -91.000 TYR 268 0.840 16.226 52.702 62.335 -99.200 -91.000 TRP 275 1.040 3.731 55.893 66.246 -99.200 -91.000 TRP6 275 1.020 3.111 56.731 68.370 -99.200 -91.000 TYR 283 0.840 24.829 41.315 73.603 -99.200 -91.000 TRP 287 1.040 16.462 38.705 68.990 -99.200 -91.000 TRP6 287 1.020 15.251 37.055 67.803 -99.200 -91.000 HIS 293 0.900 21.762 43.068 59.027 -99.200 -91.000 PHE 294 1.000 14.354 36.661 61.516 -99.200 -91.000 HIS 295 0.900 10.644 38.911 60.215 -99.200 -91.000 HIS 347 0.900 18.775 37.642 59.123 -99.200 -91.000 TYR 353 0.840 20.395 19.109 64.886 -99.200 -91.000 TYR 361 0.840 21.663 32.283 82.799 -99.200 -91.000 PHE 367 1.000 8.895 23.020 80.631 -99.200 -91.000 PHE 368 1.000 1.462 26.665 77.158 -99.200 -91.000 HIS 370 0.900 -2.938 16.006 79.109 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1bd0A1 ASN 2 HA 0.03 -0.09 0.24 -0.75 4.76 4.20 1bd0A1 ASN 2 HB2 0.07 0.37 0.19 -0.04 2.88 3.47 1bd0A1 ASN 2 HB3 0.10 -0.13 -0.30 -0.04 2.79 2.41 1bd0A1 ASN 2 HD21 0.07 0.14 0.11 -0.04 7.03 7.31 1bd0A1 ASN 2 HD22 0.08 0.09 0.20 -0.04 7.74 8.07 1bd0A1 ASP 3 H 0.04 0.11 0.15 -0.55 8.40 8.15 1bd0A1 ASP 3 HA -0.14 0.22 0.92 -0.75 4.63 4.88 1bd0A1 ASP 3 HB2 -0.02 -0.02 -0.01 -0.04 2.71 2.62 1bd0A1 ASP 3 HB3 -0.05 -0.03 -0.07 -0.04 2.70 2.50 1bd0A1 PHE 4 H -0.61 0.34 0.21 -0.55 8.34 7.74 1bd0A1 PHE 4 HA -0.08 0.11 0.68 -0.75 4.62 4.58 1bd0A1 PHE 4 HB2 -0.03 0.01 0.16 -0.04 3.15 3.25 1bd0A1 PHE 4 HB3 -0.04 0.03 -0.07 -0.04 3.06 2.94 1bd0A1 PHE 4 HD2 -0.08 0.00 -0.13 -0.04 7.28 7.04 1bd0A1 PHE 4 HE2 -0.22 -0.01 -0.06 -0.04 7.38 7.05 1bd0A1 PHE 4 HZ -0.73 -0.03 -0.08 -0.04 7.32 6.44 1bd0A1 HIS 5 H 0.19 0.16 0.10 -0.55 8.41 8.33 1bd0A1 HIS 5 HA -0.05 0.27 1.04 -0.75 4.63 5.14 1bd0A1 HIS 5 HB2 0.03 0.00 0.09 -0.04 3.26 3.35 1bd0A1 HIS 5 HB3 -0.00 0.01 0.19 -0.04 3.20 3.36 1bd0A1 HIS 5 HD2 0.02 0.02 -0.16 -0.04 6.97 6.81 1bd0A1 HIS 5 HE1 -0.07 0.00 -0.05 -0.04 7.75 7.59 1bd0A1 ARG 6 H 0.31 0.30 0.01 -0.55 8.46 8.53 1bd0A1 ARG 6 HA 0.12 0.14 0.79 -0.75 4.34 4.64 1bd0A1 ARG 6 HB2 0.11 0.01 0.00 -0.04 1.90 1.98 1bd0A1 ARG 6 HB3 0.14 0.04 0.12 -0.04 1.80 2.06 1bd0A1 ARG 6 HG2 0.11 0.00 -0.16 -0.04 1.67 1.58 1bd0A1 ARG 6 HG3 0.08 -0.05 0.11 -0.04 1.67 1.77 1bd0A1 ARG 6 HD2 0.03 0.17 0.07 -0.04 3.22 3.45 1bd0A1 ARG 6 HD3 0.04 -0.07 0.02 -0.04 3.22 3.17 1bd0A1 ASP 7 H 0.14 0.15 0.07 -0.55 8.40 8.22 1bd0A1 ASP 7 HA 0.35 0.17 0.54 -0.75 4.63 4.93 1bd0A1 ASP 7 HB2 0.15 0.00 0.18 -0.04 2.71 3.00 1bd0A1 ASP 7 HB3 0.30 -0.01 0.12 -0.04 2.70 3.07 1bd0A1 THR 8 H 0.35 0.60 -0.18 -0.55 8.28 8.50 1bd0A1 THR 8 HA 0.03 0.22 0.92 -0.75 4.39 4.81 1bd0A1 THR 8 HB 0.04 -0.06 0.06 -0.04 4.32 4.32 1bd0A1 THR 8 HG23 -0.12 -0.00 -0.07 -0.04 1.22 0.99 1bd0A1 TRP 9 H -0.39 0.65 0.34 -0.55 7.97 8.02 1bd0A1 TRP 9 HA -0.29 0.16 0.68 -0.75 4.62 4.41 1bd0A1 TRP 9 HB2 -0.44 0.08 0.08 -0.04 3.23 2.91 1bd0A1 TRP 9 HB3 -0.62 0.06 -0.23 -0.04 3.23 2.40 1bd0A1 TRP 9 HD1 -0.05 0.11 -0.32 -0.04 7.22 6.92 1bd0A1 TRP 9 HE1 -0.16 -0.03 -0.15 -0.04 10.20 9.82 1bd0A1 TRP 9 HE3 0.03 -0.12 -0.55 -0.04 7.59 6.91 1bd0A1 TRP 9 HZ2 -0.16 -0.02 -0.08 -0.04 7.44 7.15 1bd0A1 TRP 9 HZ3 0.04 0.04 -0.38 -0.04 7.13 6.79 1bd0A1 TRP 9 HH2 -0.01 0.03 -0.11 -0.04 7.19 7.06 1bd0A1 ALA 10 H -0.08 0.79 0.40 -0.55 8.40 8.98 1bd0A1 ALA 10 HA -0.43 0.11 1.19 -0.75 4.34 4.45 1bd0A1 ALA 10 HB3 -0.49 0.02 0.12 -0.04 1.41 1.01 1bd0A1 GLU 11 H -0.40 0.69 0.45 -0.55 8.60 8.80 1bd0A1 GLU 11 HA 0.02 0.21 1.18 -0.75 4.29 4.93 1bd0A1 GLU 11 HB2 0.05 -0.08 0.08 -0.04 2.09 2.10 1bd0A1 GLU 11 HB3 0.17 0.02 0.03 -0.04 1.99 2.17 1bd0A1 GLU 11 HG2 0.51 0.06 -0.14 -0.04 2.34 2.74 1bd0A1 GLU 11 HG3 0.32 -0.04 -0.29 -0.04 2.34 2.29 1bd0A1 VAL 12 H -0.05 0.61 0.31 -0.55 8.24 8.57 1bd0A1 VAL 12 HA 0.05 0.47 1.19 -0.75 4.13 5.08 1bd0A1 VAL 12 HB -0.18 -0.10 0.15 -0.04 2.12 1.95 1bd0A1 VAL 12 HG13 0.40 -0.00 -0.10 -0.04 0.97 1.22 1bd0A1 VAL 12 HG23 -0.10 0.06 -0.06 -0.04 0.95 0.81 1bd0A1 ASP 13 H 0.12 0.65 0.28 -0.55 8.40 8.91 1bd0A1 ASP 13 HA 0.17 0.06 0.83 -0.75 4.63 4.94 1bd0A1 ASP 13 HB2 -0.02 0.09 0.09 -0.04 2.71 2.83 1bd0A1 ASP 13 HB3 0.07 0.08 0.29 -0.04 2.70 3.10 1bd0A1 LEU 14 H 0.21 0.66 0.43 -0.55 8.37 9.12 1bd0A1 LEU 14 HA 0.16 0.07 0.45 -0.75 4.35 4.28 1bd0A1 LEU 14 HB2 0.11 0.23 0.26 -0.04 1.64 2.19 1bd0A1 LEU 14 HB3 0.09 -0.03 0.11 -0.04 1.64 1.77 1bd0A1 LEU 14 HG 0.33 0.02 0.06 -0.04 1.64 2.02 1bd0A1 LEU 14 HD13 0.04 -0.00 -0.06 -0.04 0.93 0.87 1bd0A1 LEU 14 HD23 0.25 -0.01 -0.14 -0.04 0.89 0.95 1bd0A1 ASP 15 H 0.09 0.09 -0.21 -0.55 8.40 7.82 1bd0A1 ASP 15 HA 0.04 0.13 0.52 -0.75 4.63 4.56 1bd0A1 ASP 15 HB2 0.05 0.00 0.04 -0.04 2.71 2.76 1bd0A1 ASP 15 HB3 0.04 0.10 -0.00 -0.04 2.70 2.80 1bd0A1 ALA 16 H 0.08 0.14 -0.23 -0.55 8.40 7.85 1bd0A1 ALA 16 HA 0.08 0.03 0.40 -0.75 4.34 4.09 1bd0A1 ALA 16 HB3 0.08 0.09 -0.06 -0.04 1.41 1.48 1bd0A1 ILE 17 H 0.10 0.27 -0.14 -0.55 8.25 7.93 1bd0A1 ILE 17 HA -0.01 0.27 0.45 -0.75 4.18 4.14 1bd0A1 ILE 17 HB 0.09 -0.00 0.16 -0.04 1.89 2.09 1bd0A1 ILE 17 HG12 -0.13 0.03 -0.02 -0.04 1.49 1.33 1bd0A1 ILE 17 HG13 0.06 -0.02 0.06 -0.04 1.21 1.27 1bd0A1 ILE 17 HG23 -0.02 -0.01 -0.19 -0.04 0.93 0.67 1bd0A1 ILE 17 HD13 0.19 -0.02 -0.08 -0.04 0.88 0.93 1bd0A1 TYR 18 H 0.17 0.45 -0.22 -0.55 8.29 8.14 1bd0A1 TYR 18 HA -0.01 0.06 0.32 -0.75 4.56 4.18 1bd0A1 TYR 18 HB2 -0.01 0.03 0.16 -0.04 3.06 3.20 1bd0A1 TYR 18 HB3 -0.00 0.04 0.19 -0.04 2.98 3.16 1bd0A1 TYR 18 HD2 -0.01 -0.00 -0.14 -0.04 7.15 6.96 1bd0A1 TYR 18 HE2 -0.00 0.05 -0.18 -0.04 6.85 6.67 1bd0A1 ASP 19 H 0.17 0.49 -0.13 -0.55 8.40 8.39 1bd0A1 ASP 19 HA 0.07 0.02 0.43 -0.75 4.63 4.40 1bd0A1 ASP 19 HB2 0.08 0.10 0.20 -0.04 2.71 3.05 1bd0A1 ASP 19 HB3 0.05 -0.01 0.01 -0.04 2.70 2.70 1bd0A1 ASN 20 H 0.06 0.63 -0.04 -0.55 8.53 8.62 1bd0A1 ASN 20 HA 0.19 0.00 0.37 -0.75 4.76 4.58 1bd0A1 ASN 20 HB2 0.06 0.18 0.21 -0.04 2.88 3.29 1bd0A1 ASN 20 HB3 0.20 -0.06 0.03 -0.04 2.79 2.92 1bd0A1 ASN 20 HD21 0.05 0.34 -0.10 -0.04 7.03 7.28 1bd0A1 ASN 20 HD22 -0.01 0.32 -0.16 -0.04 7.74 7.85 1bd0A1 VAL 21 H -0.04 0.52 -0.24 -0.55 8.24 7.93 1bd0A1 VAL 21 HA -0.01 -0.03 0.51 -0.75 4.13 3.85 1bd0A1 VAL 21 HB -0.19 0.16 0.11 -0.04 2.12 2.16 1bd0A1 VAL 21 HG13 -0.12 0.02 -0.19 -0.04 0.97 0.64 1bd0A1 VAL 21 HG23 0.03 -0.00 0.01 -0.04 0.95 0.95 1bd0A1 GLU 22 H -0.25 0.58 0.07 -0.55 8.60 8.45 1bd0A1 GLU 22 HA -0.22 0.26 0.60 -0.75 4.29 4.17 1bd0A1 GLU 22 HB2 -0.46 0.10 0.19 -0.04 2.09 1.88 1bd0A1 GLU 22 HB3 -0.12 -0.05 0.11 -0.04 1.99 1.89 1bd0A1 GLU 22 HG2 -0.09 -0.06 0.08 -0.04 2.34 2.23 1bd0A1 GLU 22 HG3 -0.14 0.13 0.12 -0.04 2.34 2.41 1bd0A1 ASN 23 H -0.25 0.69 -0.11 -0.55 8.53 8.32 1bd0A1 ASN 23 HA -0.36 0.02 0.40 -0.75 4.76 4.07 1bd0A1 ASN 23 HB2 -0.76 0.14 0.10 -0.04 2.88 2.31 1bd0A1 ASN 23 HB3 -2.21 -0.06 -0.05 -0.04 2.79 0.43 1bd0A1 ASN 23 HD21 -0.09 -0.08 -0.05 -0.04 7.03 6.77 1bd0A1 ASN 23 HD22 -0.16 0.01 -0.14 -0.04 7.74 7.40 1bd0A1 LEU 24 H -0.25 0.27 -0.51 -0.55 8.37 7.33 1bd0A1 LEU 24 HA -0.07 0.02 0.44 -0.75 4.35 3.99 1bd0A1 LEU 24 HB2 -0.41 -0.02 0.04 -0.04 1.64 1.21 1bd0A1 LEU 24 HB3 -0.41 0.17 0.08 -0.04 1.64 1.44 1bd0A1 LEU 24 HG -0.28 0.08 -0.26 -0.04 1.64 1.13 1bd0A1 LEU 24 HD13 -0.23 -0.02 -0.09 -0.04 0.93 0.54 1bd0A1 LEU 24 HD23 -1.24 -0.04 -0.13 -0.04 0.89 -0.56 1bd0A1 ARG 25 H -0.19 0.46 -0.10 -0.55 8.46 8.08 1bd0A1 ARG 25 HA -0.11 0.03 0.34 -0.75 4.34 3.85 1bd0A1 ARG 25 HB2 -0.13 0.00 0.15 -0.04 1.90 1.89 1bd0A1 ARG 25 HB3 -0.13 0.10 0.21 -0.04 1.80 1.94 1bd0A1 ARG 25 HG2 -0.07 -0.02 0.05 -0.04 1.67 1.59 1bd0A1 ARG 25 HG3 -0.07 -0.02 -0.18 -0.04 1.67 1.36 1bd0A1 ARG 25 HD2 -0.07 0.02 0.06 -0.04 3.22 3.20 1bd0A1 ARG 25 HD3 -0.05 -0.05 0.04 -0.04 3.22 3.13 1bd0A1 ARG 26 H -0.14 0.34 -0.39 -0.55 8.46 7.73 1bd0A1 ARG 26 HA -0.06 -0.00 0.37 -0.75 4.34 3.89 1bd0A1 ARG 26 HB2 -0.14 0.14 0.14 -0.04 1.90 2.00 1bd0A1 ARG 26 HB3 -0.08 -0.06 -0.05 -0.04 1.80 1.57 1bd0A1 ARG 26 HG2 -0.06 -0.04 0.02 -0.04 1.67 1.55 1bd0A1 ARG 26 HG3 -0.09 0.10 0.02 -0.04 1.67 1.67 1bd0A1 ARG 26 HD2 -0.06 -0.01 -0.01 -0.04 3.22 3.09 1bd0A1 ARG 26 HD3 -0.04 -0.07 -0.01 -0.04 3.22 3.05 1bd0A1 LEU 27 H -0.09 0.31 -0.16 -0.55 8.37 7.88 1bd0A1 LEU 27 HA -0.01 -0.06 0.35 -0.75 4.35 3.88 1bd0A1 LEU 27 HB2 0.05 0.03 0.13 -0.04 1.64 1.81 1bd0A1 LEU 27 HB3 -0.00 0.03 0.15 -0.04 1.64 1.78 1bd0A1 LEU 27 HG 0.01 -0.01 -0.16 -0.04 1.64 1.43 1bd0A1 LEU 27 HD13 0.05 -0.01 0.02 -0.04 0.93 0.94 1bd0A1 LEU 27 HD23 0.07 -0.01 -0.02 -0.04 0.89 0.89 1bd0A1 LEU 28 H -0.06 0.55 -0.12 -0.55 8.37 8.19 1bd0A1 LEU 28 HA -0.01 0.01 0.48 -0.75 4.35 4.07 1bd0A1 LEU 28 HB2 -0.05 0.11 -0.01 -0.04 1.64 1.64 1bd0A1 LEU 28 HB3 -0.02 0.00 0.02 -0.04 1.64 1.61 1bd0A1 LEU 28 HG -0.07 0.04 -0.01 -0.04 1.64 1.55 1bd0A1 LEU 28 HD13 -0.08 -0.03 -0.18 -0.04 0.93 0.60 1bd0A1 LEU 28 HD23 0.01 -0.04 -0.03 -0.04 0.89 0.79 1bd0A1 PRO 29 HA -0.02 0.06 0.50 -0.51 4.44 4.47 1bd0A1 PRO 29 HB2 -0.01 -0.10 0.05 -0.04 2.28 2.18 1bd0A1 PRO 29 HB3 -0.01 -0.02 0.13 -0.04 2.02 2.08 1bd0A1 PRO 29 HG2 0.00 0.01 0.11 -0.04 2.03 2.12 1bd0A1 PRO 29 HG3 -0.00 0.03 0.08 -0.04 2.03 2.10 1bd0A1 PRO 29 HD2 0.01 0.06 0.22 -0.04 3.68 3.92 1bd0A1 PRO 29 HD3 0.00 0.18 0.23 -0.04 3.65 4.02 1bd0A1 ASP 30 H -0.03 0.09 0.19 -0.55 8.40 8.10 1bd0A1 ASP 30 HA -0.05 0.22 0.33 -0.75 4.63 4.38 1bd0A1 ASP 30 HB2 -0.03 -0.07 0.05 -0.04 2.71 2.61 1bd0A1 ASP 30 HB3 -0.04 0.01 0.10 -0.04 2.70 2.73 1bd0A1 ASP 31 H -0.04 -0.02 -0.44 -0.55 8.40 7.34 1bd0A1 ASP 31 HA -0.11 0.13 0.57 -0.75 4.63 4.46 1bd0A1 ASP 31 HB2 -0.02 0.01 0.08 -0.04 2.71 2.74 1bd0A1 ASP 31 HB3 -0.02 -0.05 0.04 -0.04 2.70 2.63 1bd0A1 THR 32 H -0.07 0.59 -0.30 -0.55 8.28 7.95 1bd0A1 THR 32 HA -0.03 0.11 0.79 -0.75 4.39 4.51 1bd0A1 THR 32 HB -0.01 0.10 0.05 -0.04 4.32 4.41 1bd0A1 THR 32 HG23 0.08 -0.02 -0.32 -0.04 1.22 0.92 1bd0A1 HIS 33 H 0.05 0.65 0.19 -0.55 8.41 8.75 1bd0A1 HIS 33 HA -0.01 0.16 0.52 -0.75 4.63 4.56 1bd0A1 HIS 33 HB2 -0.01 -0.10 0.05 -0.04 3.26 3.16 1bd0A1 HIS 33 HB3 -0.01 -0.09 0.08 -0.04 3.20 3.14 1bd0A1 HIS 33 HD2 0.00 -0.02 0.01 -0.04 6.97 6.91 1bd0A1 HIS 33 HE1 0.03 -0.01 0.07 -0.04 7.75 7.80 1bd0A1 ILE 34 H 0.07 0.21 0.22 -0.55 8.25 8.20 1bd0A1 ILE 34 HA 0.02 0.13 1.00 -0.75 4.18 4.59 1bd0A1 ILE 34 HB -0.03 0.10 0.11 -0.04 1.89 2.03 1bd0A1 ILE 34 HG12 -0.10 -0.08 -0.17 -0.04 1.49 1.10 1bd0A1 ILE 34 HG13 -0.04 0.12 -0.44 -0.04 1.21 0.82 1bd0A1 ILE 34 HG23 -0.03 -0.05 -0.25 -0.04 0.93 0.55 1bd0A1 ILE 34 HD13 -0.13 0.05 -0.20 -0.04 0.88 0.56 1bd0A1 MET 35 H 0.03 0.71 0.24 -0.55 8.47 8.90 1bd0A1 MET 35 HA -0.02 0.21 0.85 -0.75 4.52 4.81 1bd0A1 MET 35 HB2 -0.10 0.02 -0.19 -0.04 2.15 1.84 1bd0A1 MET 35 HB3 -0.05 0.11 0.04 -0.04 2.03 2.09 1bd0A1 MET 35 HG2 -0.04 -0.12 -0.56 -0.04 2.63 1.87 1bd0A1 MET 35 HG3 -0.08 0.02 -0.60 -0.04 2.56 1.86 1bd0A1 MET 35 HE3 -0.24 0.05 -0.24 -0.04 2.10 1.63 1bd0A1 ALA 36 H -0.01 0.58 0.23 -0.55 8.40 8.66 1bd0A1 ALA 36 HA 0.05 0.13 0.66 -0.75 4.34 4.43 1bd0A1 ALA 36 HB3 -0.02 0.02 0.03 -0.04 1.41 1.40 1bd0A1 VAL 37 H -0.02 0.73 0.22 -0.55 8.24 8.62 1bd0A1 VAL 37 HA 0.03 0.07 0.69 -0.75 4.13 4.17 1bd0A1 VAL 37 HB 0.03 -0.07 0.02 -0.04 2.12 2.06 1bd0A1 VAL 37 HG13 0.21 -0.04 -0.17 -0.04 0.97 0.93 1bd0A1 VAL 37 HG23 0.09 0.04 -0.36 -0.04 0.95 0.67 1bd0A1 VAL 38 H 0.04 0.54 0.27 -0.55 8.24 8.54 1bd0A1 VAL 38 HA 0.12 0.25 0.98 -0.75 4.13 4.73 1bd0A1 VAL 38 HB 0.07 -0.13 0.16 -0.04 2.12 2.18 1bd0A1 VAL 38 HG13 0.02 0.03 -0.29 -0.04 0.97 0.69 1bd0A1 VAL 38 HG23 0.01 0.02 -0.04 -0.04 0.95 0.89 1bd0A1 LYS 39 H 0.17 0.15 -0.11 -0.55 8.42 8.08 1bd0A1 LYS 39 HA 0.03 -0.00 0.53 -0.75 4.32 4.13 1bd0A1 LYS 39 HB2 0.06 -0.09 0.15 -0.04 1.87 1.94 1bd0A1 LYS 39 HB3 0.07 -0.04 0.05 -0.04 1.79 1.82 1bd0A1 LYS 39 HG2 0.38 0.01 -0.12 -0.04 1.46 1.69 1bd0A1 LYS 39 HG3 0.10 0.06 -0.20 -0.04 1.46 1.37 1bd0A1 LYS 39 HD2 0.07 -0.04 -0.18 -0.04 1.69 1.51 1bd0A1 LYS 39 HD3 0.13 0.05 -0.19 -0.04 1.68 1.63 1bd0A1 LYS 39 HE2 0.05 0.05 -0.10 -0.04 2.99 2.95 1bd0A1 LYS 39 HE3 0.21 -0.01 -0.10 -0.04 2.99 3.05 1bd0A1 ALA 40 H 0.03 0.06 0.20 -0.55 8.40 8.14 1bd0A1 ALA 40 HA 0.07 0.08 0.34 -0.75 4.34 4.07 1bd0A1 ALA 40 HB3 0.03 0.07 0.02 -0.04 1.41 1.49 1bd0A1 ASN 41 H 0.05 0.04 -0.06 -0.55 8.53 8.02 1bd0A1 ASN 41 HA 0.08 -0.01 0.32 -0.75 4.76 4.39 1bd0A1 ASN 41 HB2 0.09 0.01 -0.11 -0.04 2.88 2.83 1bd0A1 ASN 41 HB3 0.11 0.22 0.09 -0.04 2.79 3.16 1bd0A1 ASN 41 HD21 0.16 0.08 -0.04 -0.04 7.03 7.19 1bd0A1 ASN 41 HD22 0.13 0.17 -0.03 -0.04 7.74 7.97 1bd0A1 ALA 42 H 0.14 0.52 -0.38 -0.55 8.40 8.14 1bd0A1 ALA 42 HA 0.20 0.02 0.15 -0.75 4.34 3.96 1bd0A1 ALA 42 HB3 0.26 0.01 -0.26 -0.04 1.41 1.38 1bd0A1 TYR 43 H 0.37 0.48 -0.24 -0.55 8.29 8.34 1bd0A1 TYR 43 HA -0.07 -0.01 0.22 -0.75 4.56 3.95 1bd0A1 TYR 43 HB2 -1.08 0.13 -0.15 -0.04 3.06 1.92 1bd0A1 TYR 43 HB3 -0.31 0.01 0.16 -0.04 2.98 2.80 1bd0A1 TYR 43 HD2 -0.12 0.10 -0.06 -0.04 7.15 7.02 1bd0A1 TYR 43 HE2 0.15 -0.14 -0.08 -0.04 6.85 6.73 1bd0A1 GLY 44 H 0.12 0.38 -0.38 -0.55 8.43 8.00 1bd0A1 GLY 44 HA2 0.08 -0.01 0.25 -0.51 4.01 3.81 1bd0A1 GLY 44 HA3 -0.03 0.17 0.24 -0.51 4.01 3.88 1bd0A1 HIS 45 H 0.28 0.48 -0.51 -0.55 8.41 8.12 1bd0A1 HIS 45 HA 0.29 0.14 0.66 -0.75 4.63 4.97 1bd0A1 HIS 45 HB2 0.27 0.17 0.06 -0.04 3.26 3.72 1bd0A1 HIS 45 HB3 0.33 -0.12 0.03 -0.04 3.20 3.40 1bd0A1 HIS 45 HD2 0.33 -0.03 -0.09 -0.04 6.97 7.14 1bd0A1 HIS 45 HE1 -0.26 -0.07 0.00 -0.04 7.75 7.37 1bd0A1 GLY 46 H 0.25 0.60 -0.11 -0.55 8.43 8.62 1bd0A1 GLY 46 HA2 0.24 -0.03 0.28 -0.51 4.01 3.98 1bd0A1 GLY 46 HA3 0.43 0.20 0.79 -0.51 4.01 4.92 1bd0A1 ASP 47 H 0.12 0.13 -0.01 -0.55 8.40 8.09 1bd0A1 ASP 47 HA 0.10 0.08 0.19 -0.75 4.63 4.24 1bd0A1 ASP 47 HB2 0.03 0.09 -0.00 -0.04 2.71 2.78 1bd0A1 ASP 47 HB3 0.06 -0.15 0.11 -0.04 2.70 2.68 1bd0A1 VAL 48 H 0.01 0.12 -0.05 -0.55 8.24 7.77 1bd0A1 VAL 48 HA -0.01 0.10 0.40 -0.75 4.13 3.86 1bd0A1 VAL 48 HB -0.02 0.00 0.08 -0.04 2.12 2.14 1bd0A1 VAL 48 HG13 -0.07 0.01 -0.06 -0.04 0.97 0.81 1bd0A1 VAL 48 HG23 -0.04 0.05 -0.04 -0.04 0.95 0.89 1bd0A1 GLN 49 H -0.10 0.06 -0.30 -0.55 8.47 7.57 1bd0A1 GLN 49 HA -0.17 0.10 0.38 -0.75 4.36 3.92 1bd0A1 GLN 49 HB2 -0.25 0.10 0.06 -0.04 2.15 2.01 1bd0A1 GLN 49 HB3 -0.38 0.01 -0.05 -0.04 2.02 1.56 1bd0A1 GLN 49 HG2 -2.43 0.04 -0.03 -0.04 2.40 -0.07 1bd0A1 GLN 49 HG3 -0.59 0.03 -0.04 -0.04 2.39 1.75 1bd0A1 GLN 49 HE21 -0.12 -0.02 -0.05 -0.04 6.97 6.75 1bd0A1 GLN 49 HE22 -0.37 0.07 -0.08 -0.04 7.69 7.27 1bd0A1 VAL 50 H 0.08 0.54 -0.14 -0.55 8.24 8.16 1bd0A1 VAL 50 HA 0.07 0.03 0.38 -0.75 4.13 3.85 1bd0A1 VAL 50 HB 0.14 0.06 -0.01 -0.04 2.12 2.27 1bd0A1 VAL 50 HG13 -0.03 -0.01 -0.21 -0.04 0.97 0.67 1bd0A1 VAL 50 HG23 0.30 0.03 -0.11 -0.04 0.95 1.12 1bd0A1 ALA 51 H 0.02 0.52 -0.20 -0.55 8.40 8.18 1bd0A1 ALA 51 HA -0.01 -0.02 0.33 -0.75 4.34 3.89 1bd0A1 ALA 51 HB3 -0.01 0.01 0.03 -0.04 1.41 1.40 1bd0A1 ARG 52 H -0.01 0.55 -0.22 -0.55 8.46 8.22 1bd0A1 ARG 52 HA -0.00 0.02 0.35 -0.75 4.34 3.95 1bd0A1 ARG 52 HB2 -0.03 0.14 0.20 -0.04 1.90 2.17 1bd0A1 ARG 52 HB3 -0.01 -0.04 -0.03 -0.04 1.80 1.68 1bd0A1 ARG 52 HG2 -0.02 -0.04 0.02 -0.04 1.67 1.60 1bd0A1 ARG 52 HG3 -0.03 0.11 0.05 -0.04 1.67 1.76 1bd0A1 ARG 52 HD2 -0.03 -0.03 -0.02 -0.04 3.22 3.10 1bd0A1 ARG 52 HD3 -0.02 0.01 -0.02 -0.04 3.22 3.15 1bd0A1 THR 53 H 0.01 0.46 -0.15 -0.55 8.28 8.05 1bd0A1 THR 53 HA 0.09 0.03 0.39 -0.75 4.39 4.14 1bd0A1 THR 53 HB 0.05 0.05 0.10 -0.04 4.32 4.47 1bd0A1 THR 53 HG23 0.15 0.01 -0.02 -0.04 1.22 1.32 1bd0A1 ALA 54 H -0.01 0.66 -0.13 -0.55 8.40 8.38 1bd0A1 ALA 54 HA -0.07 0.03 0.40 -0.75 4.34 3.94 1bd0A1 ALA 54 HB3 -0.04 -0.00 0.05 -0.04 1.41 1.37 1bd0A1 LEU 55 H -0.01 0.62 -0.13 -0.55 8.37 8.30 1bd0A1 LEU 55 HA -0.02 0.20 0.47 -0.75 4.35 4.24 1bd0A1 LEU 55 HB2 -0.00 0.10 0.12 -0.04 1.64 1.83 1bd0A1 LEU 55 HB3 -0.00 -0.01 0.02 -0.04 1.64 1.61 1bd0A1 LEU 55 HG -0.02 -0.01 -0.04 -0.04 1.64 1.52 1bd0A1 LEU 55 HD13 -0.01 -0.03 -0.13 -0.04 0.93 0.71 1bd0A1 LEU 55 HD23 -0.02 0.01 -0.35 -0.04 0.89 0.49 1bd0A1 GLU 56 H 0.03 0.37 -0.25 -0.55 8.60 8.20 1bd0A1 GLU 56 HA 0.05 0.10 0.62 -0.75 4.29 4.30 1bd0A1 GLU 56 HB2 0.11 -0.07 0.12 -0.04 2.09 2.21 1bd0A1 GLU 56 HB3 0.07 0.06 0.11 -0.04 1.99 2.18 1bd0A1 GLU 56 HG2 0.21 0.26 0.14 -0.04 2.34 2.91 1bd0A1 GLU 56 HG3 0.46 -0.05 -0.17 -0.04 2.34 2.54 1bd0A1 ALA 57 H -0.08 0.26 -0.38 -0.55 8.40 7.66 1bd0A1 ALA 57 HA -0.58 0.07 0.66 -0.75 4.34 3.74 1bd0A1 ALA 57 HB3 -0.63 -0.03 0.15 -0.04 1.41 0.87 1bd0A1 GLY 58 H -0.07 0.25 -0.32 -0.55 8.43 7.75 1bd0A1 GLY 58 HA2 -0.05 0.01 0.23 -0.51 4.01 3.69 1bd0A1 GLY 58 HA3 -0.10 0.17 0.89 -0.51 4.01 4.46 1bd0A1 ALA 59 H -0.06 0.45 0.17 -0.55 8.40 8.42 1bd0A1 ALA 59 HA -0.02 0.04 0.64 -0.75 4.34 4.24 1bd0A1 ALA 59 HB3 -0.02 -0.05 -0.14 -0.04 1.41 1.16 1bd0A1 SER 60 H -0.00 0.41 0.42 -0.55 8.46 8.74 1bd0A1 SER 60 HA -0.01 0.22 0.99 -0.75 4.49 4.95 1bd0A1 SER 60 HB2 0.02 -0.02 0.15 -0.04 3.95 4.05 1bd0A1 SER 60 HB3 0.04 0.08 -0.04 -0.04 3.93 3.97 1bd0A1 ARG 61 H -0.02 0.23 0.38 -0.55 8.46 8.49 1bd0A1 ARG 61 HA -0.05 0.28 0.80 -0.75 4.34 4.62 1bd0A1 ARG 61 HB2 -0.08 -0.11 -0.07 -0.04 1.90 1.60 1bd0A1 ARG 61 HB3 -0.09 0.03 0.02 -0.04 1.80 1.72 1bd0A1 ARG 61 HG2 -0.08 0.10 -0.06 -0.04 1.67 1.59 1bd0A1 ARG 61 HG3 -0.07 -0.12 -0.61 -0.04 1.67 0.84 1bd0A1 ARG 61 HD2 -0.16 -0.01 -0.16 -0.04 3.22 2.84 1bd0A1 ARG 61 HD3 -0.13 -0.06 -0.17 -0.04 3.22 2.82 1bd0A1 LEU 62 H -0.06 0.73 0.32 -0.55 8.37 8.81 1bd0A1 LEU 62 HA -0.03 0.26 0.95 -0.75 4.35 4.78 1bd0A1 LEU 62 HB2 -0.04 -0.03 -0.07 -0.04 1.64 1.46 1bd0A1 LEU 62 HB3 -0.02 -0.08 0.08 -0.04 1.64 1.57 1bd0A1 LEU 62 HG -0.03 0.04 -0.41 -0.04 1.64 1.19 1bd0A1 LEU 62 HD13 -0.03 -0.00 -0.17 -0.04 0.93 0.69 1bd0A1 LEU 62 HD23 -0.02 0.04 -0.13 -0.04 0.89 0.74 1bd0A1 ALA 63 H -0.02 0.43 0.32 -0.55 8.40 8.58 1bd0A1 ALA 63 HA -0.07 0.26 0.90 -0.75 4.34 4.68 1bd0A1 ALA 63 HB3 -0.04 -0.00 -0.12 -0.04 1.41 1.20 1bd0A1 VAL 64 H -0.04 0.71 0.30 -0.55 8.24 8.66 1bd0A1 VAL 64 HA 0.00 0.04 0.76 -0.75 4.13 4.18 1bd0A1 VAL 64 HB -0.13 -0.22 0.07 -0.04 2.12 1.80 1bd0A1 VAL 64 HG13 -0.05 0.05 -0.42 -0.04 0.97 0.51 1bd0A1 VAL 64 HG23 -0.07 0.02 -0.28 -0.04 0.95 0.58 1bd0A1 ALA 65 H -0.05 0.03 0.21 -0.55 8.40 8.03 1bd0A1 ALA 65 HA 0.08 0.15 0.68 -0.75 4.34 4.49 1bd0A1 ALA 65 HB3 0.19 0.01 0.10 -0.04 1.41 1.68 1bd0A1 PHE 66 H -0.28 0.06 0.14 -0.55 8.34 7.71 1bd0A1 PHE 66 HA 0.03 0.33 0.69 -0.75 4.62 4.91 1bd0A1 PHE 66 HB2 0.04 -0.01 0.14 -0.04 3.15 3.28 1bd0A1 PHE 66 HB3 0.03 0.16 -0.06 -0.04 3.06 3.15 1bd0A1 PHE 66 HD2 0.02 -0.09 -0.10 -0.04 7.28 7.07 1bd0A1 PHE 66 HE2 0.02 0.06 0.00 -0.04 7.38 7.42 1bd0A1 PHE 66 HZ 0.02 0.10 0.00 -0.04 7.32 7.40 1bd0A1 LEU 67 H 0.21 0.28 0.13 -0.55 8.37 8.44 1bd0A1 LEU 67 HA 0.02 0.12 0.28 -0.75 4.35 4.01 1bd0A1 LEU 67 HB2 0.11 0.05 0.13 -0.04 1.64 1.89 1bd0A1 LEU 67 HB3 0.12 -0.02 0.09 -0.04 1.64 1.79 1bd0A1 LEU 67 HG 0.03 -0.00 -0.18 -0.04 1.64 1.45 1bd0A1 LEU 67 HD13 0.01 0.02 -0.02 -0.04 0.93 0.89 1bd0A1 LEU 67 HD23 0.05 0.01 -0.02 -0.04 0.89 0.89 1bd0A1 ASP 68 H 0.25 0.10 -0.13 -0.55 8.40 8.08 1bd0A1 ASP 68 HA 0.03 0.14 0.41 -0.75 4.63 4.46 1bd0A1 ASP 68 HB2 0.17 -0.05 0.02 -0.04 2.71 2.81 1bd0A1 ASP 68 HB3 0.09 0.09 0.03 -0.04 2.70 2.87 1bd0A1 GLU 69 H -0.53 0.18 -0.21 -0.55 8.60 7.50 1bd0A1 GLU 69 HA -0.19 0.10 0.45 -0.75 4.29 3.90 1bd0A1 GLU 69 HB2 -0.45 0.06 0.17 -0.04 2.09 1.84 1bd0A1 GLU 69 HB3 -0.21 0.03 0.04 -0.04 1.99 1.81 1bd0A1 GLU 69 HG2 -0.28 0.09 0.09 -0.04 2.34 2.20 1bd0A1 GLU 69 HG3 -1.13 0.02 0.08 -0.04 2.34 1.27 1bd0A1 ALA 70 H -0.12 0.24 -0.25 -0.55 8.40 7.73 1bd0A1 ALA 70 HA -0.07 0.06 0.38 -0.75 4.34 3.96 1bd0A1 ALA 70 HB3 -0.05 0.05 -0.06 -0.04 1.41 1.30 1bd0A1 LEU 71 H -0.05 0.42 -0.09 -0.55 8.37 8.11 1bd0A1 LEU 71 HA -0.03 0.15 0.41 -0.75 4.35 4.12 1bd0A1 LEU 71 HB2 -0.01 0.01 0.12 -0.04 1.64 1.73 1bd0A1 LEU 71 HB3 -0.02 0.02 0.01 -0.04 1.64 1.61 1bd0A1 LEU 71 HG -0.01 0.08 0.01 -0.04 1.64 1.68 1bd0A1 LEU 71 HD13 0.01 -0.04 -0.09 -0.04 0.93 0.77 1bd0A1 LEU 71 HD23 -0.03 0.02 -0.07 -0.04 0.89 0.78 1bd0A1 ALA 72 H -0.04 0.39 -0.24 -0.55 8.40 7.97 1bd0A1 ALA 72 HA -0.01 0.06 0.41 -0.75 4.34 4.05 1bd0A1 ALA 72 HB3 -0.02 0.01 0.09 -0.04 1.41 1.45 1bd0A1 LEU 73 H -0.04 0.31 -0.34 -0.55 8.37 7.76 1bd0A1 LEU 73 HA -0.02 -0.04 0.37 -0.75 4.35 3.91 1bd0A1 LEU 73 HB2 -0.04 0.19 0.12 -0.04 1.64 1.86 1bd0A1 LEU 73 HB3 -0.03 0.04 -0.11 -0.04 1.64 1.50 1bd0A1 LEU 73 HG -0.03 0.05 0.01 -0.04 1.64 1.62 1bd0A1 LEU 73 HD13 -0.03 -0.01 -0.14 -0.04 0.93 0.71 1bd0A1 LEU 73 HD23 -0.01 -0.02 -0.16 -0.04 0.89 0.65 1bd0A1 ARG 74 H -0.03 0.42 -0.14 -0.55 8.46 8.15 1bd0A1 ARG 74 HA -0.03 0.30 0.41 -0.75 4.34 4.26 1bd0A1 ARG 74 HB2 -0.04 -0.01 0.16 -0.04 1.90 1.98 1bd0A1 ARG 74 HB3 -0.04 -0.01 0.01 -0.04 1.80 1.72 1bd0A1 ARG 74 HG2 -0.04 -0.08 0.01 -0.04 1.67 1.52 1bd0A1 ARG 74 HG3 -0.05 -0.05 -0.01 -0.04 1.67 1.52 1bd0A1 ARG 74 HD2 -0.05 -0.08 0.03 -0.04 3.22 3.07 1bd0A1 ARG 74 HD3 -0.04 0.20 0.06 -0.04 3.22 3.40 1bd0A1 GLU 75 H -0.02 0.45 -0.28 -0.55 8.60 8.21 1bd0A1 GLU 75 HA -0.01 0.01 0.37 -0.75 4.29 3.90 1bd0A1 GLU 75 HB2 -0.01 0.05 0.24 -0.04 2.09 2.33 1bd0A1 GLU 75 HB3 -0.01 -0.02 -0.04 -0.04 1.99 1.89 1bd0A1 GLU 75 HG2 -0.00 -0.02 0.03 -0.04 2.34 2.30 1bd0A1 GLU 75 HG3 -0.01 0.01 0.02 -0.04 2.34 2.32 1bd0A1 LYS 76 H -0.01 0.43 -0.19 -0.55 8.42 8.09 1bd0A1 LYS 76 HA -0.01 0.06 0.52 -0.75 4.32 4.13 1bd0A1 LYS 76 HB2 -0.01 0.03 0.13 -0.04 1.87 1.98 1bd0A1 LYS 76 HB3 -0.02 -0.08 0.18 -0.04 1.79 1.83 1bd0A1 LYS 76 HG2 -0.00 -0.03 0.04 -0.04 1.46 1.43 1bd0A1 LYS 76 HG3 -0.00 0.03 0.03 -0.04 1.46 1.48 1bd0A1 LYS 76 HD2 -0.01 0.02 -0.09 -0.04 1.69 1.58 1bd0A1 LYS 76 HD3 -0.00 -0.16 0.01 -0.04 1.68 1.49 1bd0A1 LYS 76 HE2 0.01 0.06 -0.00 -0.04 2.99 3.02 1bd0A1 LYS 76 HE3 0.00 -0.05 -0.06 -0.04 2.99 2.84 1bd0A1 GLY 77 H -0.02 0.45 -0.85 -0.55 8.43 7.47 1bd0A1 GLY 77 HA2 -0.02 0.05 0.25 -0.51 4.01 3.78 1bd0A1 GLY 77 HA3 -0.01 0.04 0.54 -0.51 4.01 4.06 1bd0A1 ILE 78 H -0.02 0.47 -0.10 -0.55 8.25 8.04 1bd0A1 ILE 78 HA -0.02 0.00 0.47 -0.75 4.18 3.88 1bd0A1 ILE 78 HB -0.03 -0.03 -0.24 -0.04 1.89 1.55 1bd0A1 ILE 78 HG12 -0.02 0.10 -0.09 -0.04 1.49 1.44 1bd0A1 ILE 78 HG13 -0.02 -0.14 -0.08 -0.04 1.21 0.92 1bd0A1 ILE 78 HG23 -0.03 0.00 -0.18 -0.04 0.93 0.68 1bd0A1 ILE 78 HD13 -0.02 0.01 -0.09 -0.04 0.88 0.74 1bd0A1 GLU 79 H -0.02 0.01 0.18 -0.55 8.60 8.23 1bd0A1 GLU 79 HA -0.03 0.25 0.88 -0.75 4.29 4.65 1bd0A1 GLU 79 HB2 -0.02 -0.05 0.07 -0.04 2.09 2.05 1bd0A1 GLU 79 HB3 -0.02 -0.01 0.03 -0.04 1.99 1.95 1bd0A1 GLU 79 HG2 -0.02 0.10 -0.24 -0.04 2.34 2.14 1bd0A1 GLU 79 HG3 -0.01 0.03 -0.03 -0.04 2.34 2.28 1bd0A1 ALA 80 H -0.03 -0.12 0.03 -0.55 8.40 7.75 1bd0A1 ALA 80 HA -0.03 0.12 0.45 -0.75 4.34 4.13 1bd0A1 ALA 80 HB3 -0.03 0.02 0.01 -0.04 1.41 1.38 1bd0A1 PRO 81 HA -0.07 0.18 0.50 -0.51 4.44 4.54 1bd0A1 PRO 81 HB2 -0.08 -0.10 0.05 -0.04 2.28 2.12 1bd0A1 PRO 81 HB3 -0.08 0.02 0.08 -0.04 2.02 2.00 1bd0A1 PRO 81 HG2 -0.06 0.03 0.10 -0.04 2.03 2.07 1bd0A1 PRO 81 HG3 -0.06 0.06 0.12 -0.04 2.03 2.11 1bd0A1 PRO 81 HD2 -0.04 0.37 0.40 -0.04 3.68 4.36 1bd0A1 PRO 81 HD3 -0.04 0.10 0.29 -0.04 3.65 3.97 1bd0A1 ILE 82 H -0.08 0.33 0.27 -0.55 8.25 8.23 1bd0A1 ILE 82 HA -0.08 0.24 0.95 -0.75 4.18 4.54 1bd0A1 ILE 82 HB -0.06 0.03 0.05 -0.04 1.89 1.86 1bd0A1 ILE 82 HG12 -0.05 -0.09 -0.25 -0.04 1.49 1.06 1bd0A1 ILE 82 HG13 -0.05 0.33 -0.37 -0.04 1.21 1.07 1bd0A1 ILE 82 HG23 -0.06 -0.07 -0.32 -0.04 0.93 0.44 1bd0A1 ILE 82 HD13 -0.05 -0.02 -0.12 -0.04 0.88 0.65 1bd0A1 LEU 83 H -0.11 0.56 0.29 -0.55 8.37 8.56 1bd0A1 LEU 83 HA -0.12 0.27 0.89 -0.75 4.35 4.64 1bd0A1 LEU 83 HB2 -0.35 0.05 -0.17 -0.04 1.64 1.12 1bd0A1 LEU 83 HB3 -0.24 0.01 -0.00 -0.04 1.64 1.37 1bd0A1 LEU 83 HG -0.16 -0.09 -0.75 -0.04 1.64 0.60 1bd0A1 LEU 83 HD13 -0.18 0.01 -0.37 -0.04 0.93 0.35 1bd0A1 LEU 83 HD23 -0.59 -0.01 -0.27 -0.04 0.89 -0.01 1bd0A1 VAL 84 H -0.05 0.66 0.11 -0.55 8.24 8.42 1bd0A1 VAL 84 HA -0.01 -0.05 0.48 -0.75 4.13 3.79 1bd0A1 VAL 84 HB 0.01 0.11 0.14 -0.04 2.12 2.34 1bd0A1 VAL 84 HG13 0.08 -0.00 -0.34 -0.04 0.97 0.67 1bd0A1 VAL 84 HG23 -0.00 -0.02 -0.30 -0.04 0.95 0.59 1bd0A1 LEU 85 H 0.02 0.69 0.27 -0.55 8.37 8.81 1bd0A1 LEU 85 HA 0.09 0.11 0.44 -0.75 4.35 4.23 1bd0A1 LEU 85 HB2 0.04 -0.06 0.07 -0.04 1.64 1.65 1bd0A1 LEU 85 HB3 0.05 -0.05 -0.02 -0.04 1.64 1.59 1bd0A1 LEU 85 HG -0.02 0.09 -0.05 -0.04 1.64 1.62 1bd0A1 LEU 85 HD13 0.01 -0.04 -0.17 -0.04 0.93 0.69 1bd0A1 LEU 85 HD23 -0.08 0.01 -0.17 -0.04 0.89 0.61 1bd0A1 GLY 86 H 0.09 0.23 -0.03 -0.55 8.43 8.17 1bd0A1 GLY 86 HA2 0.07 0.12 0.73 -0.51 4.01 4.41 1bd0A1 GLY 86 HA3 0.09 0.00 0.42 -0.51 4.01 4.01 1bd0A1 ALA 87 H 0.11 0.05 0.14 -0.55 8.40 8.16 1bd0A1 ALA 87 HA 0.17 0.16 0.52 -0.75 4.34 4.43 1bd0A1 ALA 87 HB3 0.21 0.00 0.09 -0.04 1.41 1.67 1bd0A1 SER 88 H 0.21 0.30 0.24 -0.55 8.46 8.66 1bd0A1 SER 88 HA 0.18 0.05 0.63 -0.75 4.49 4.60 1bd0A1 SER 88 HB2 0.23 -0.04 0.07 -0.04 3.95 4.17 1bd0A1 SER 88 HB3 0.15 0.03 -0.11 -0.04 3.93 3.96 1bd0A1 ARG 89 H 0.18 0.12 0.13 -0.55 8.46 8.33 1bd0A1 ARG 89 HA 0.12 0.25 0.78 -0.75 4.34 4.74 1bd0A1 ARG 89 HB2 0.05 -0.04 0.15 -0.04 1.90 2.02 1bd0A1 ARG 89 HB3 -0.01 -0.02 0.07 -0.04 1.80 1.81 1bd0A1 ARG 89 HG2 0.05 0.08 -0.00 -0.04 1.67 1.75 1bd0A1 ARG 89 HG3 0.08 -0.06 -0.00 -0.04 1.67 1.65 1bd0A1 ARG 89 HD2 0.03 -0.01 0.01 -0.04 3.22 3.21 1bd0A1 ARG 89 HD3 0.01 0.05 0.01 -0.04 3.22 3.25 1bd0A1 PRO 90 HA -1.40 0.11 0.39 -0.51 4.44 3.03 1bd0A1 PRO 90 HB2 -0.47 0.07 -0.07 -0.04 2.28 1.77 1bd0A1 PRO 90 HB3 -1.08 0.14 0.05 -0.04 2.02 1.09 1bd0A1 PRO 90 HG2 -0.50 0.05 0.12 -0.04 2.03 1.66 1bd0A1 PRO 90 HG3 -1.74 0.02 0.15 -0.04 2.03 0.42 1bd0A1 PRO 90 HD2 -0.21 0.08 0.24 -0.04 3.68 3.75 1bd0A1 PRO 90 HD3 -0.15 0.23 0.33 -0.04 3.65 4.02 1bd0A1 ALA 91 H -0.16 0.06 -0.28 -0.55 8.40 7.48 1bd0A1 ALA 91 HA -0.07 0.19 0.39 -0.75 4.34 4.10 1bd0A1 ALA 91 HB3 -0.04 0.01 0.04 -0.04 1.41 1.38 1bd0A1 ASP 92 H -0.01 0.28 -0.40 -0.55 8.40 7.72 1bd0A1 ASP 92 HA -0.00 0.15 0.65 -0.75 4.63 4.68 1bd0A1 ASP 92 HB2 0.08 0.06 0.11 -0.04 2.71 2.92 1bd0A1 ASP 92 HB3 0.04 -0.04 0.16 -0.04 2.70 2.82 1bd0A1 ALA 93 H -0.05 0.45 -0.50 -0.55 8.40 7.75 1bd0A1 ALA 93 HA 0.06 0.02 0.34 -0.75 4.34 4.00 1bd0A1 ALA 93 HB3 -0.01 0.03 0.06 -0.04 1.41 1.45 1bd0A1 ALA 94 H -0.20 0.22 -0.19 -0.55 8.40 7.69 1bd0A1 ALA 94 HA -0.71 0.14 0.41 -0.75 4.34 3.43 1bd0A1 ALA 94 HB3 -0.01 0.03 0.06 -0.04 1.41 1.46 1bd0A1 LEU 95 H -0.07 0.11 -0.28 -0.55 8.37 7.58 1bd0A1 LEU 95 HA -0.05 0.09 0.44 -0.75 4.35 4.08 1bd0A1 LEU 95 HB2 -0.02 -0.00 0.09 -0.04 1.64 1.66 1bd0A1 LEU 95 HB3 -0.02 0.10 0.14 -0.04 1.64 1.82 1bd0A1 LEU 95 HG -0.02 0.01 -0.26 -0.04 1.64 1.33 1bd0A1 LEU 95 HD13 -0.03 0.01 0.02 -0.04 0.93 0.89 1bd0A1 LEU 95 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.81 1bd0A1 ALA 96 H -0.05 0.42 -0.12 -0.55 8.40 8.10 1bd0A1 ALA 96 HA -0.05 0.01 0.37 -0.75 4.34 3.92 1bd0A1 ALA 96 HB3 -0.03 0.03 0.02 -0.04 1.41 1.40 1bd0A1 ALA 97 H -0.11 0.41 -0.24 -0.55 8.40 7.91 1bd0A1 ALA 97 HA -0.02 0.09 0.39 -0.75 4.34 4.05 1bd0A1 ALA 97 HB3 0.03 0.00 -0.14 -0.04 1.41 1.27 1bd0A1 GLN 98 H -0.16 0.49 -0.17 -0.55 8.47 8.08 1bd0A1 GLN 98 HA -1.08 0.03 0.46 -0.75 4.36 3.01 1bd0A1 GLN 98 HB2 -0.44 -0.01 0.13 -0.04 2.15 1.79 1bd0A1 GLN 98 HB3 -0.24 0.04 0.14 -0.04 2.02 1.92 1bd0A1 GLN 98 HG2 -0.30 0.01 -0.15 -0.04 2.40 1.92 1bd0A1 GLN 98 HG3 -0.88 -0.00 0.09 -0.04 2.39 1.55 1bd0A1 GLN 98 HE21 0.04 -0.04 0.00 -0.04 6.97 6.93 1bd0A1 GLN 98 HE22 -0.11 0.02 0.01 -0.04 7.69 7.56 1bd0A1 GLN 99 H -0.15 0.32 -0.37 -0.55 8.47 7.73 1bd0A1 GLN 99 HA -0.13 0.10 0.52 -0.75 4.36 4.10 1bd0A1 GLN 99 HB2 -0.08 0.00 0.06 -0.04 2.15 2.09 1bd0A1 GLN 99 HB3 -0.07 -0.05 0.09 -0.04 2.02 1.94 1bd0A1 GLN 99 HG2 -0.10 0.09 0.03 -0.04 2.40 2.37 1bd0A1 GLN 99 HG3 -0.06 -0.15 -0.03 -0.04 2.39 2.11 1bd0A1 GLN 99 HE21 -0.07 -0.01 -0.06 -0.04 6.97 6.80 1bd0A1 GLN 99 HE22 -0.10 -0.03 -0.10 -0.04 7.69 7.42 1bd0A1 ARG 100 H -0.12 0.34 -0.72 -0.55 8.46 7.40 1bd0A1 ARG 100 HA -0.09 0.05 0.29 -0.75 4.34 3.84 1bd0A1 ARG 100 HB2 -0.08 0.14 0.05 -0.04 1.90 1.98 1bd0A1 ARG 100 HB3 -0.10 -0.09 0.15 -0.04 1.80 1.72 1bd0A1 ARG 100 HG2 -0.05 -0.01 0.01 -0.04 1.67 1.58 1bd0A1 ARG 100 HG3 -0.09 0.08 -0.23 -0.04 1.67 1.40 1bd0A1 ARG 100 HD2 -0.05 -0.01 -0.00 -0.04 3.22 3.11 1bd0A1 ARG 100 HD3 -0.03 -0.06 -0.01 -0.04 3.22 3.08 1bd0A1 ILE 101 H -0.08 0.62 -0.05 -0.55 8.25 8.19 1bd0A1 ILE 101 HA -0.08 0.17 0.94 -0.75 4.18 4.46 1bd0A1 ILE 101 HB -0.06 -0.08 0.05 -0.04 1.89 1.76 1bd0A1 ILE 101 HG12 -0.06 -0.02 -0.15 -0.04 1.49 1.23 1bd0A1 ILE 101 HG13 -0.07 0.33 -0.54 -0.04 1.21 0.89 1bd0A1 ILE 101 HG23 -0.04 -0.04 -0.21 -0.04 0.93 0.60 1bd0A1 ILE 101 HD13 -0.05 -0.06 -0.18 -0.04 0.88 0.55 1bd0A1 ALA 102 H -0.07 0.59 0.30 -0.55 8.40 8.67 1bd0A1 ALA 102 HA -0.06 0.17 0.71 -0.75 4.34 4.41 1bd0A1 ALA 102 HB3 0.03 -0.02 -0.02 -0.04 1.41 1.36 1bd0A1 LEU 103 H -0.10 0.59 0.33 -0.55 8.37 8.64 1bd0A1 LEU 103 HA -0.01 0.11 1.05 -0.75 4.35 4.74 1bd0A1 LEU 103 HB2 -0.09 -0.01 -0.02 -0.04 1.64 1.49 1bd0A1 LEU 103 HB3 -0.08 0.04 -0.03 -0.04 1.64 1.53 1bd0A1 LEU 103 HG -0.06 0.14 -0.37 -0.04 1.64 1.31 1bd0A1 LEU 103 HD13 0.13 -0.01 -0.11 -0.04 0.93 0.89 1bd0A1 LEU 103 HD23 0.04 -0.02 -0.11 -0.04 0.89 0.76 1bd0A1 THR 104 H 0.02 0.28 0.17 -0.55 8.28 8.20 1bd0A1 THR 104 HA 0.20 0.23 0.78 -0.75 4.39 4.85 1bd0A1 THR 104 HB 0.12 0.14 -0.01 -0.04 4.32 4.53 1bd0A1 THR 104 HG23 0.21 -0.03 -0.17 -0.04 1.22 1.18 1bd0A1 VAL 105 H 0.02 0.59 0.33 -0.55 8.24 8.63 1bd0A1 VAL 105 HA -0.71 0.09 0.78 -0.75 4.13 3.53 1bd0A1 VAL 105 HB -0.58 0.11 -0.21 -0.04 2.12 1.40 1bd0A1 VAL 105 HG13 -0.25 0.02 -0.15 -0.04 0.97 0.55 1bd0A1 VAL 105 HG23 -0.62 -0.04 0.01 -0.04 0.95 0.25 1bd0A1 PHE 106 H -0.96 0.00 0.21 -0.55 8.34 7.04 1bd0A1 PHE 106 HA -0.09 0.23 0.75 -0.75 4.62 4.75 1bd0A1 PHE 106 HB2 -0.07 -0.04 0.06 -0.04 3.15 3.06 1bd0A1 PHE 106 HB3 -0.12 0.13 0.04 -0.04 3.06 3.07 1bd0A1 PHE 106 HD2 -0.08 0.05 -0.30 -0.04 7.28 6.91 1bd0A1 PHE 106 HE2 -0.05 0.08 -0.12 -0.04 7.38 7.24 1bd0A1 PHE 106 HZ -0.02 0.00 -0.01 -0.04 7.32 7.24 1bd0A1 ARG 107 H -0.42 0.09 0.21 -0.55 8.46 7.79 1bd0A1 ARG 107 HA 0.00 0.21 0.91 -0.75 4.34 4.71 1bd0A1 ARG 107 HB2 -0.13 -0.03 0.12 -0.04 1.90 1.82 1bd0A1 ARG 107 HB3 0.03 -0.07 0.08 -0.04 1.80 1.80 1bd0A1 ARG 107 HG2 0.17 0.14 -0.03 -0.04 1.67 1.91 1bd0A1 ARG 107 HG3 0.12 -0.08 -0.37 -0.04 1.67 1.30 1bd0A1 ARG 107 HD2 0.30 0.08 -0.03 -0.04 3.22 3.54 1bd0A1 ARG 107 HD3 0.11 -0.01 -0.01 -0.04 3.22 3.27 1bd0A1 SER 108 H 0.01 0.22 0.17 -0.55 8.46 8.32 1bd0A1 SER 108 HA 0.01 0.16 0.48 -0.75 4.49 4.38 1bd0A1 SER 108 HB2 0.02 0.12 0.01 -0.04 3.95 4.05 1bd0A1 SER 108 HB3 0.00 0.06 0.10 -0.04 3.93 4.05 1bd0A1 ASP 109 H 0.04 0.09 -0.07 -0.55 8.40 7.91 1bd0A1 ASP 109 HA 0.04 0.15 0.45 -0.75 4.63 4.51 1bd0A1 ASP 109 HB2 0.02 0.08 0.09 -0.04 2.71 2.86 1bd0A1 ASP 109 HB3 0.03 0.03 0.10 -0.04 2.70 2.82 1bd0A1 TRP 110 H 0.17 0.11 -0.44 -0.55 7.97 7.26 1bd0A1 TRP 110 HA -0.06 0.08 0.45 -0.75 4.62 4.33 1bd0A1 TRP 110 HB2 -0.21 -0.08 0.13 -0.04 3.23 3.03 1bd0A1 TRP 110 HB3 -0.22 0.14 0.15 -0.04 3.23 3.25 1bd0A1 TRP 110 HD1 -0.12 -0.03 0.08 -0.04 7.22 7.11 1bd0A1 TRP 110 HE1 -0.03 0.49 -0.02 -0.04 10.20 10.60 1bd0A1 TRP 110 HE3 -0.22 0.03 -0.49 -0.04 7.59 6.87 1bd0A1 TRP 110 HZ2 0.01 -0.01 -0.44 -0.04 7.44 6.96 1bd0A1 TRP 110 HZ3 -0.11 0.07 -0.09 -0.04 7.13 6.96 1bd0A1 TRP 110 HH2 0.08 0.06 -0.10 -0.04 7.19 7.19 1bd0A1 LEU 111 H 0.22 0.23 -0.14 -0.55 8.37 8.13 1bd0A1 LEU 111 HA 0.30 0.06 0.43 -0.75 4.35 4.38 1bd0A1 LEU 111 HB2 0.09 0.10 0.14 -0.04 1.64 1.93 1bd0A1 LEU 111 HB3 0.20 0.08 -0.00 -0.04 1.64 1.87 1bd0A1 LEU 111 HG -0.01 -0.09 0.05 -0.04 1.64 1.55 1bd0A1 LEU 111 HD13 -0.16 -0.01 -0.01 -0.04 0.93 0.72 1bd0A1 LEU 111 HD23 -0.51 0.02 -0.05 -0.04 0.89 0.31 1bd0A1 GLU 112 H 0.07 0.26 -0.28 -0.55 8.60 8.11 1bd0A1 GLU 112 HA 0.07 0.09 0.40 -0.75 4.29 4.10 1bd0A1 GLU 112 HB2 0.02 0.10 0.21 -0.04 2.09 2.38 1bd0A1 GLU 112 HB3 0.02 0.01 -0.02 -0.04 1.99 1.95 1bd0A1 GLU 112 HG2 0.03 0.04 0.02 -0.04 2.34 2.39 1bd0A1 GLU 112 HG3 0.04 0.08 0.00 -0.04 2.34 2.42 1bd0A1 GLU 113 H -0.06 0.41 -0.13 -0.55 8.60 8.28 1bd0A1 GLU 113 HA -0.05 0.06 0.41 -0.75 4.29 3.95 1bd0A1 GLU 113 HB2 -0.33 0.07 0.13 -0.04 2.09 1.92 1bd0A1 GLU 113 HB3 -0.17 -0.05 0.05 -0.04 1.99 1.78 1bd0A1 GLU 113 HG2 -0.06 -0.03 0.05 -0.04 2.34 2.26 1bd0A1 GLU 113 HG3 -0.08 0.38 0.20 -0.04 2.34 2.80 1bd0A1 ALA 114 H -0.18 0.38 -0.19 -0.55 8.40 7.86 1bd0A1 ALA 114 HA -0.16 0.05 0.43 -0.75 4.34 3.91 1bd0A1 ALA 114 HB3 -0.17 -0.00 0.11 -0.04 1.41 1.31 1bd0A1 SER 115 H 0.26 0.64 -0.01 -0.55 8.46 8.80 1bd0A1 SER 115 HA 0.27 0.11 0.44 -0.75 4.49 4.55 1bd0A1 SER 115 HB2 0.12 0.02 0.06 -0.04 3.95 4.11 1bd0A1 SER 115 HB3 0.18 -0.00 0.11 -0.04 3.93 4.17 1bd0A1 ALA 116 H 0.07 0.29 -0.39 -0.55 8.40 7.82 1bd0A1 ALA 116 HA 0.04 0.04 0.43 -0.75 4.34 4.09 1bd0A1 ALA 116 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 1bd0A1 LEU 117 H 0.09 0.35 -0.35 -0.55 8.37 7.91 1bd0A1 LEU 117 HA 0.06 0.16 0.96 -0.75 4.35 4.79 1bd0A1 LEU 117 HB2 0.04 0.05 0.05 -0.04 1.64 1.74 1bd0A1 LEU 117 HB3 0.05 -0.09 0.15 -0.04 1.64 1.71 1bd0A1 LEU 117 HG -0.02 0.20 -0.04 -0.04 1.64 1.74 1bd0A1 LEU 117 HD13 -0.07 -0.05 -0.10 -0.04 0.93 0.67 1bd0A1 LEU 117 HD23 0.00 0.00 -0.07 -0.04 0.89 0.78 1bd0A1 TYR 118 H 0.25 0.41 0.01 -0.55 8.29 8.41 1bd0A1 TYR 118 HA 0.10 0.13 0.99 -0.75 4.56 5.03 1bd0A1 TYR 118 HB2 0.15 -0.07 -0.11 -0.04 3.06 2.99 1bd0A1 TYR 118 HB3 0.25 0.01 -0.04 -0.04 2.98 3.16 1bd0A1 TYR 118 HD2 0.23 0.06 -0.01 -0.04 7.15 7.38 1bd0A1 TYR 118 HE2 0.17 0.18 0.01 -0.04 6.85 7.17 1bd0A1 SER 119 H -0.47 0.14 0.15 -0.55 8.46 7.74 1bd0A1 SER 119 HA 0.09 0.13 0.66 -0.75 4.49 4.61 1bd0A1 SER 119 HB2 -0.06 -0.02 -0.10 -0.04 3.95 3.72 1bd0A1 SER 119 HB3 -0.07 -0.03 0.16 -0.04 3.93 3.95 1bd0A1 GLY 120 H -1.59 0.04 0.09 -0.55 8.43 6.42 1bd0A1 GLY 120 HA2 -1.00 0.13 0.16 -0.51 4.01 2.78 1bd0A1 GLY 120 HA3 -0.79 0.26 0.89 -0.51 4.01 3.87 1bd0A1 PRO 121 HA -0.69 0.09 0.36 -0.51 4.44 3.69 1bd0A1 PRO 121 HB2 -0.40 0.05 0.01 -0.04 2.28 1.90 1bd0A1 PRO 121 HB3 -0.29 0.02 0.08 -0.04 2.02 1.79 1bd0A1 PRO 121 HG2 -1.21 0.05 0.04 -0.04 2.03 0.86 1bd0A1 PRO 121 HG3 -0.39 0.02 0.07 -0.04 2.03 1.69 1bd0A1 PRO 121 HD2 -0.40 0.02 0.25 -0.04 3.68 3.52 1bd0A1 PRO 121 HD3 -0.21 0.14 0.37 -0.04 3.65 3.91 1bd0A1 PHE 122 H -0.20 0.11 -0.05 -0.55 8.34 7.64 1bd0A1 PHE 122 HA 0.07 0.17 0.60 -0.75 4.62 4.71 1bd0A1 PHE 122 HB2 0.16 -0.12 -0.16 -0.04 3.15 2.99 1bd0A1 PHE 122 HB3 0.08 0.25 -0.11 -0.04 3.06 3.24 1bd0A1 PHE 122 HD2 0.09 0.03 -0.00 -0.04 7.28 7.36 1bd0A1 PHE 122 HE2 0.04 -0.01 0.02 -0.04 7.38 7.39 1bd0A1 PHE 122 HZ 0.02 -0.03 0.02 -0.04 7.32 7.30 1bd0A1 PRO 123 HA 0.37 0.24 0.63 -0.51 4.44 5.17 1bd0A1 PRO 123 HB2 0.17 -0.02 -0.19 -0.04 2.28 2.19 1bd0A1 PRO 123 HB3 0.25 0.07 -0.01 -0.04 2.02 2.28 1bd0A1 PRO 123 HG2 0.39 -0.01 0.02 -0.04 2.03 2.39 1bd0A1 PRO 123 HG3 0.23 0.04 0.04 -0.04 2.03 2.30 1bd0A1 PRO 123 HD2 0.28 0.09 0.21 -0.04 3.68 4.23 1bd0A1 PRO 123 HD3 0.21 0.20 0.28 -0.04 3.65 4.29 1bd0A1 ILE 124 H 0.27 0.69 0.31 -0.55 8.25 8.97 1bd0A1 ILE 124 HA -0.01 0.18 0.88 -0.75 4.18 4.47 1bd0A1 ILE 124 HB -0.72 -0.11 0.08 -0.04 1.89 1.10 1bd0A1 ILE 124 HG12 0.12 0.07 -0.15 -0.04 1.49 1.48 1bd0A1 ILE 124 HG13 0.45 0.25 0.12 -0.04 1.21 1.98 1bd0A1 ILE 124 HG23 -0.34 -0.01 -0.02 -0.04 0.93 0.52 1bd0A1 ILE 124 HD13 0.09 -0.04 -0.09 -0.04 0.88 0.80 1bd0A1 HIS 125 H 0.07 0.24 0.08 -0.55 8.41 8.26 1bd0A1 HIS 125 HA -0.08 0.18 0.81 -0.75 4.63 4.80 1bd0A1 HIS 125 HB2 -0.04 -0.03 0.08 -0.04 3.26 3.23 1bd0A1 HIS 125 HB3 0.01 -0.02 -0.02 -0.04 3.20 3.12 1bd0A1 HIS 125 HD2 0.02 -0.01 -0.07 -0.04 6.97 6.86 1bd0A1 HIS 125 HE1 0.07 0.05 -0.13 -0.04 7.75 7.69 1bd0A1 PHE 126 H 0.08 0.88 0.53 -0.55 8.34 9.27 1bd0A1 PHE 126 HA 0.04 0.32 1.11 -0.75 4.62 5.33 1bd0A1 PHE 126 HB2 -0.05 0.02 0.07 -0.04 3.15 3.15 1bd0A1 PHE 126 HB3 -0.08 -0.08 -0.04 -0.04 3.06 2.82 1bd0A1 PHE 126 HD2 -0.18 0.08 -0.14 -0.04 7.28 7.00 1bd0A1 PHE 126 HE2 -0.58 -0.02 -0.06 -0.04 7.38 6.67 1bd0A1 PHE 126 HZ -0.60 -0.01 -0.07 -0.04 7.32 6.59 1bd0A1 HIS 127 H 0.32 0.58 0.25 -0.55 8.41 9.01 1bd0A1 HIS 127 HA 0.18 0.21 0.68 -0.75 4.63 4.94 1bd0A1 HIS 127 HB2 0.18 0.00 -0.10 -0.04 3.26 3.31 1bd0A1 HIS 127 HB3 0.35 -0.01 -0.23 -0.04 3.20 3.26 1bd0A1 HIS 127 HD2 0.06 -0.01 -0.54 -0.04 6.97 6.43 1bd0A1 HIS 127 HE1 -0.06 0.05 -0.25 -0.04 7.75 7.45 1bd0A1 LEU 128 H 0.10 0.65 0.22 -0.55 8.37 8.79 1bd0A1 LEU 128 HA 0.03 0.16 0.78 -0.75 4.35 4.56 1bd0A1 LEU 128 HB2 0.01 -0.02 0.10 -0.04 1.64 1.69 1bd0A1 LEU 128 HB3 0.03 0.07 0.26 -0.04 1.64 1.96 1bd0A1 LEU 128 HG 0.00 0.00 -0.37 -0.04 1.64 1.23 1bd0A1 LEU 128 HD13 -0.00 0.02 0.04 -0.04 0.93 0.94 1bd0A1 LEU 128 HD23 0.03 -0.00 -0.03 -0.04 0.89 0.85 1bd0A1 LYS 129 H -0.01 0.47 0.40 -0.55 8.42 8.73 1bd0A1 LYS 129 HA -0.67 0.25 0.80 -0.75 4.32 3.94 1bd0A1 LYS 129 HB2 -0.39 0.07 -0.02 -0.04 1.87 1.48 1bd0A1 LYS 129 HB3 -0.05 -0.11 0.05 -0.04 1.79 1.64 1bd0A1 LYS 129 HG2 -0.31 -0.17 -0.48 -0.04 1.46 0.47 1bd0A1 LYS 129 HG3 -0.32 0.03 -0.46 -0.04 1.46 0.67 1bd0A1 LYS 129 HD2 -1.19 0.11 -0.16 -0.04 1.69 0.41 1bd0A1 LYS 129 HD3 -0.49 0.02 -0.14 -0.04 1.68 1.03 1bd0A1 LYS 129 HE2 -0.28 0.12 -0.09 -0.04 2.99 2.70 1bd0A1 LYS 129 HE3 -0.27 -0.09 -0.13 -0.04 2.99 2.46 1bd0A1 MET 130 H -0.36 0.95 0.52 -0.55 8.47 9.03 1bd0A1 MET 130 HA -0.05 0.04 1.01 -0.75 4.52 4.76 1bd0A1 MET 130 HB2 -0.09 0.03 0.04 -0.04 2.15 2.09 1bd0A1 MET 130 HB3 -0.05 0.02 -0.09 -0.04 2.03 1.87 1bd0A1 MET 130 HG2 0.03 -0.05 -0.12 -0.04 2.63 2.44 1bd0A1 MET 130 HG3 -0.01 0.04 -0.26 -0.04 2.56 2.29 1bd0A1 MET 130 HE3 -0.02 0.01 -0.17 -0.04 2.10 1.88 1bd0A1 ASP 131 H -0.05 0.65 0.11 -0.55 8.40 8.57 1bd0A1 ASP 131 HA -0.13 -0.01 0.84 -0.75 4.63 4.58 1bd0A1 ASP 131 HB2 -0.08 0.16 -0.17 -0.04 2.71 2.58 1bd0A1 ASP 131 HB3 -0.01 0.12 0.01 -0.04 2.70 2.77 1bd0A1 THR 132 H -0.14 0.11 0.24 -0.55 8.28 7.95 1bd0A1 THR 132 HA -0.08 0.31 0.92 -0.75 4.39 4.78 1bd0A1 THR 132 HB -0.24 0.05 0.22 -0.04 4.32 4.31 1bd0A1 THR 132 HG23 -0.16 0.04 -0.21 -0.04 1.22 0.84 1bd0A1 GLY 133 H 0.02 -0.15 0.03 -0.55 8.43 7.78 1bd0A1 GLY 133 HA2 0.22 0.10 0.24 -0.51 4.01 4.06 1bd0A1 GLY 133 HA3 0.20 0.22 0.83 -0.51 4.01 4.75 1bd0A1 MET 134 H 0.04 -0.06 0.21 -0.55 8.47 8.12 1bd0A1 MET 134 HA 0.11 0.17 0.67 -0.75 4.52 4.72 1bd0A1 MET 134 HB2 0.06 0.10 0.00 -0.04 2.15 2.28 1bd0A1 MET 134 HB3 0.01 -0.07 0.16 -0.04 2.03 2.09 1bd0A1 MET 134 HG2 0.11 -0.00 -0.06 -0.04 2.63 2.64 1bd0A1 MET 134 HG3 0.04 0.01 -0.13 -0.04 2.56 2.43 1bd0A1 MET 134 HE3 0.06 0.00 -0.02 -0.04 2.10 2.11 1bd0A1 GLY 135 H 0.02 -0.09 -0.03 -0.55 8.43 7.78 1bd0A1 GLY 135 HA2 0.00 0.03 0.19 -0.51 4.01 3.73 1bd0A1 GLY 135 HA3 0.02 0.15 0.35 -0.51 4.01 4.01 1bd0A1 ARG 136 H -0.05 -0.08 -0.23 -0.55 8.46 7.55 1bd0A1 ARG 136 HA -0.07 0.22 0.75 -0.75 4.34 4.49 1bd0A1 ARG 136 HB2 -0.03 0.06 -0.08 -0.04 1.90 1.80 1bd0A1 ARG 136 HB3 -0.08 -0.17 0.14 -0.04 1.80 1.65 1bd0A1 ARG 136 HG2 -0.11 -0.01 -0.13 -0.04 1.67 1.37 1bd0A1 ARG 136 HG3 -0.07 0.04 -0.03 -0.04 1.67 1.58 1bd0A1 ARG 136 HD2 -0.06 -0.02 -0.05 -0.04 3.22 3.06 1bd0A1 ARG 136 HD3 -0.03 0.03 -0.04 -0.04 3.22 3.14 1bd0A1 LEU 137 H -0.18 0.11 0.12 -0.55 8.37 7.87 1bd0A1 LEU 137 HA -0.48 0.24 0.84 -0.75 4.35 4.19 1bd0A1 LEU 137 HB2 -0.35 0.02 -0.03 -0.04 1.64 1.24 1bd0A1 LEU 137 HB3 -1.05 -0.04 0.02 -0.04 1.64 0.53 1bd0A1 LEU 137 HG -0.24 -0.06 -0.24 -0.04 1.64 1.06 1bd0A1 LEU 137 HD13 -0.15 0.01 -0.04 -0.04 0.93 0.70 1bd0A1 LEU 137 HD23 -0.55 0.05 -0.03 -0.04 0.89 0.32 1bd0A1 GLY 138 H -0.66 0.07 0.03 -0.55 8.43 7.33 1bd0A1 GLY 138 HA2 -0.05 0.15 0.27 -0.51 4.01 3.87 1bd0A1 GLY 138 HA3 -0.15 0.13 0.55 -0.51 4.01 4.02 1bd0A1 VAL 139 H 0.04 0.56 0.41 -0.55 8.24 8.69 1bd0A1 VAL 139 HA 0.08 0.08 0.61 -0.75 4.13 4.15 1bd0A1 VAL 139 HB 0.10 -0.15 0.14 -0.04 2.12 2.16 1bd0A1 VAL 139 HG13 0.07 0.06 0.08 -0.04 0.97 1.15 1bd0A1 VAL 139 HG23 0.12 0.07 -0.00 -0.04 0.95 1.09 1bd0A1 LYS 140 H 0.09 -0.07 0.28 -0.55 8.42 8.16 1bd0A1 LYS 140 HA 0.16 0.30 0.92 -0.75 4.32 4.95 1bd0A1 LYS 140 HB2 0.07 -0.06 0.05 -0.04 1.87 1.89 1bd0A1 LYS 140 HB3 0.10 0.02 0.11 -0.04 1.79 1.99 1bd0A1 LYS 140 HG2 0.04 0.08 -0.62 -0.04 1.46 0.92 1bd0A1 LYS 140 HG3 0.04 -0.00 -0.09 -0.04 1.46 1.36 1bd0A1 LYS 140 HD2 0.05 0.23 0.03 -0.04 1.69 1.97 1bd0A1 LYS 140 HD3 0.03 -0.09 -0.10 -0.04 1.68 1.48 1bd0A1 LYS 140 HE2 0.07 -0.03 0.01 -0.04 2.99 3.00 1bd0A1 LYS 140 HE3 0.09 0.02 -0.01 -0.04 2.99 3.05 1bd0A1 ASP 141 H 0.06 -0.05 0.23 -0.55 8.40 8.10 1bd0A1 ASP 141 HA -0.19 0.34 1.02 -0.75 4.63 5.05 1bd0A1 ASP 141 HB2 -0.20 -0.02 0.14 -0.04 2.71 2.59 1bd0A1 ASP 141 HB3 -0.05 0.14 -0.03 -0.04 2.70 2.72 1bd0A1 GLU 142 H -1.11 0.25 0.17 -0.55 8.60 7.36 1bd0A1 GLU 142 HA -1.05 0.15 0.41 -0.75 4.29 3.04 1bd0A1 GLU 142 HB2 -2.41 0.09 0.14 -0.04 2.09 -0.13 1bd0A1 GLU 142 HB3 -0.79 -0.05 0.15 -0.04 1.99 1.25 1bd0A1 GLU 142 HG2 -0.42 -0.03 -0.18 -0.04 2.34 1.67 1bd0A1 GLU 142 HG3 -0.70 0.08 0.07 -0.04 2.34 1.74 1bd0A1 GLU 143 H -0.33 0.10 -0.06 -0.55 8.60 7.77 1bd0A1 GLU 143 HA -0.15 0.15 0.40 -0.75 4.29 3.94 1bd0A1 GLU 143 HB2 -0.14 0.06 0.12 -0.04 2.09 2.09 1bd0A1 GLU 143 HB3 -0.11 -0.10 0.10 -0.04 1.99 1.83 1bd0A1 GLU 143 HG2 -0.06 -0.02 -0.16 -0.04 2.34 2.06 1bd0A1 GLU 143 HG3 -0.07 0.07 0.03 -0.04 2.34 2.32 1bd0A1 GLU 144 H -0.10 0.07 -0.15 -0.55 8.60 7.87 1bd0A1 GLU 144 HA -0.03 0.04 0.43 -0.75 4.29 3.97 1bd0A1 GLU 144 HB2 -0.02 -0.00 0.16 -0.04 2.09 2.19 1bd0A1 GLU 144 HB3 -0.01 0.04 0.16 -0.04 1.99 2.14 1bd0A1 GLU 144 HG2 0.03 0.08 0.10 -0.04 2.34 2.51 1bd0A1 GLU 144 HG3 0.01 0.03 -0.07 -0.04 2.34 2.27 1bd0A1 THR 145 H -0.06 0.39 -0.25 -0.55 8.28 7.82 1bd0A1 THR 145 HA 0.05 -0.02 0.40 -0.75 4.39 4.07 1bd0A1 THR 145 HB 0.08 0.12 0.18 -0.04 4.32 4.66 1bd0A1 THR 145 HG23 0.21 0.03 -0.20 -0.04 1.22 1.22 1bd0A1 LYS 146 H -0.06 0.68 0.02 -0.55 8.42 8.52 1bd0A1 LYS 146 HA 0.01 0.10 0.48 -0.75 4.32 4.16 1bd0A1 LYS 146 HB2 -0.06 -0.00 0.14 -0.04 1.87 1.91 1bd0A1 LYS 146 HB3 -0.02 -0.02 0.08 -0.04 1.79 1.78 1bd0A1 LYS 146 HG2 0.00 0.19 0.06 -0.04 1.46 1.68 1bd0A1 LYS 146 HG3 -0.10 0.14 0.09 -0.04 1.46 1.55 1bd0A1 LYS 146 HD2 -0.12 -0.10 -0.03 -0.04 1.69 1.41 1bd0A1 LYS 146 HD3 -0.06 -0.07 0.00 -0.04 1.68 1.51 1bd0A1 LYS 146 HE2 -0.02 -0.06 0.01 -0.04 2.99 2.87 1bd0A1 LYS 146 HE3 -0.00 0.01 0.04 -0.04 2.99 3.00 1bd0A1 ARG 147 H -0.03 0.49 -0.14 -0.55 8.46 8.23 1bd0A1 ARG 147 HA -0.01 0.08 0.45 -0.75 4.34 4.11 1bd0A1 ARG 147 HB2 -0.02 0.04 0.10 -0.04 1.90 1.97 1bd0A1 ARG 147 HB3 -0.01 -0.00 0.16 -0.04 1.80 1.90 1bd0A1 ARG 147 HG2 0.01 -0.07 -0.17 -0.04 1.67 1.40 1bd0A1 ARG 147 HG3 0.00 0.03 0.04 -0.04 1.67 1.71 1bd0A1 ARG 147 HD2 -0.00 -0.10 -0.02 -0.04 3.22 3.06 1bd0A1 ARG 147 HD3 0.00 0.02 -0.03 -0.04 3.22 3.17 1bd0A1 ILE 148 H -0.01 0.55 -0.15 -0.55 8.25 8.09 1bd0A1 ILE 148 HA -0.02 -0.05 0.37 -0.75 4.18 3.72 1bd0A1 ILE 148 HB -0.01 0.21 0.15 -0.04 1.89 2.19 1bd0A1 ILE 148 HG12 -0.06 -0.09 -0.27 -0.04 1.49 1.02 1bd0A1 ILE 148 HG13 -0.02 0.09 0.00 -0.04 1.21 1.24 1bd0A1 ILE 148 HG23 -0.09 -0.00 -0.23 -0.04 0.93 0.56 1bd0A1 ILE 148 HD13 -0.03 -0.03 -0.37 -0.04 0.88 0.41 1bd0A1 VAL 149 H 0.00 0.49 -0.15 -0.55 8.24 8.03 1bd0A1 VAL 149 HA 0.01 0.01 0.39 -0.75 4.13 3.79 1bd0A1 VAL 149 HB 0.02 0.11 0.18 -0.04 2.12 2.39 1bd0A1 VAL 149 HG13 0.02 -0.00 -0.04 -0.04 0.97 0.91 1bd0A1 VAL 149 HG23 0.02 0.05 0.08 -0.04 0.95 1.06 1bd0A1 ALA 150 H 0.01 0.51 -0.17 -0.55 8.40 8.20 1bd0A1 ALA 150 HA 0.02 0.05 0.40 -0.75 4.34 4.05 1bd0A1 ALA 150 HB3 0.01 0.01 0.11 -0.04 1.41 1.49 1bd0A1 LEU 151 H 0.04 0.56 -0.14 -0.55 8.37 8.27 1bd0A1 LEU 151 HA 0.07 0.03 0.44 -0.75 4.35 4.14 1bd0A1 LEU 151 HB2 0.06 0.07 0.16 -0.04 1.64 1.89 1bd0A1 LEU 151 HB3 0.14 -0.05 -0.02 -0.04 1.64 1.67 1bd0A1 LEU 151 HG 0.03 0.18 0.06 -0.04 1.64 1.87 1bd0A1 LEU 151 HD13 0.05 -0.07 -0.02 -0.04 0.93 0.84 1bd0A1 LEU 151 HD23 0.05 -0.00 -0.02 -0.04 0.89 0.87 1bd0A1 ILE 152 H 0.07 0.45 -0.19 -0.55 8.25 8.03 1bd0A1 ILE 152 HA 0.41 -0.02 0.42 -0.75 4.18 4.24 1bd0A1 ILE 152 HB 0.06 0.11 0.16 -0.04 1.89 2.18 1bd0A1 ILE 152 HG12 -0.16 -0.04 -0.08 -0.04 1.49 1.17 1bd0A1 ILE 152 HG13 -0.11 -0.03 -0.01 -0.04 1.21 1.02 1bd0A1 ILE 152 HG23 0.20 -0.01 -0.39 -0.04 0.93 0.68 1bd0A1 ILE 152 HD13 -0.18 -0.03 -0.14 -0.04 0.88 0.49 1bd0A1 GLU 153 H 0.08 0.78 0.06 -0.55 8.60 8.97 1bd0A1 GLU 153 HA 0.07 0.03 0.33 -0.75 4.29 3.96 1bd0A1 GLU 153 HB2 0.04 0.15 0.12 -0.04 2.09 2.36 1bd0A1 GLU 153 HB3 0.03 0.00 -0.00 -0.04 1.99 1.98 1bd0A1 GLU 153 HG2 0.02 -0.03 -0.00 -0.04 2.34 2.29 1bd0A1 GLU 153 HG3 0.03 0.01 0.07 -0.04 2.34 2.41 1bd0A1 ARG 154 H 0.07 0.27 -0.57 -0.55 8.46 7.67 1bd0A1 ARG 154 HA -0.00 0.07 0.62 -0.75 4.34 4.28 1bd0A1 ARG 154 HB2 -0.01 -0.11 0.09 -0.04 1.90 1.82 1bd0A1 ARG 154 HB3 0.02 0.13 0.11 -0.04 1.80 2.02 1bd0A1 ARG 154 HG2 0.05 0.19 0.13 -0.04 1.67 2.00 1bd0A1 ARG 154 HG3 -0.02 -0.03 -0.25 -0.04 1.67 1.33 1bd0A1 ARG 154 HD2 -0.01 -0.05 -0.02 -0.04 3.22 3.10 1bd0A1 ARG 154 HD3 0.01 -0.03 -0.04 -0.04 3.22 3.12 1bd0A1 HIS 155 H 0.11 0.36 -0.08 -0.55 8.41 8.26 1bd0A1 HIS 155 HA -0.19 0.09 0.67 -0.75 4.63 4.45 1bd0A1 HIS 155 HB2 -0.38 0.04 0.16 -0.04 3.26 3.04 1bd0A1 HIS 155 HB3 -0.48 -0.02 0.18 -0.04 3.20 2.83 1bd0A1 HIS 155 HD2 -0.50 -0.07 0.08 -0.04 6.97 6.44 1bd0A1 HIS 155 HE1 -0.05 -0.06 -0.17 -0.04 7.75 7.43 1bd0A1 PRO 156 HA -0.11 0.15 0.41 -0.51 4.44 4.37 1bd0A1 PRO 156 HB2 -0.59 0.01 0.01 -0.04 2.28 1.66 1bd0A1 PRO 156 HB3 -0.23 0.01 0.12 -0.04 2.02 1.88 1bd0A1 PRO 156 HG2 -0.47 0.01 0.04 -0.04 2.03 1.57 1bd0A1 PRO 156 HG3 -0.31 0.02 0.10 -0.04 2.03 1.79 1bd0A1 PRO 156 HD2 -0.90 0.04 0.27 -0.04 3.68 3.05 1bd0A1 PRO 156 HD3 -0.30 0.24 0.29 -0.04 3.65 3.84 1bd0A1 HIS 157 H 0.63 0.04 -0.41 -0.55 8.41 8.13 1bd0A1 HIS 157 HA 0.17 0.28 0.85 -0.75 4.63 5.17 1bd0A1 HIS 157 HB2 0.14 -0.05 -0.15 -0.04 3.26 3.17 1bd0A1 HIS 157 HB3 0.24 0.06 -0.05 -0.04 3.20 3.41 1bd0A1 HIS 157 HD2 0.07 0.08 -0.18 -0.04 6.97 6.90 1bd0A1 HIS 157 HE1 -0.08 0.03 -0.00 -0.04 7.75 7.65 1bd0A1 PHE 158 H 0.28 0.54 -0.20 -0.55 8.34 8.41 1bd0A1 PHE 158 HA 0.24 0.10 0.90 -0.75 4.62 5.11 1bd0A1 PHE 158 HB2 0.18 0.30 0.22 -0.04 3.15 3.80 1bd0A1 PHE 158 HB3 0.31 -0.10 0.01 -0.04 3.06 3.24 1bd0A1 PHE 158 HD2 0.10 0.12 -0.31 -0.04 7.28 7.15 1bd0A1 PHE 158 HE2 0.15 -0.01 -0.08 -0.04 7.38 7.40 1bd0A1 PHE 158 HZ 0.11 -0.08 -0.27 -0.04 7.32 7.03 1bd0A1 VAL 159 H 0.16 0.65 0.32 -0.55 8.24 8.83 1bd0A1 VAL 159 HA 0.07 0.24 0.90 -0.75 4.13 4.60 1bd0A1 VAL 159 HB -0.50 -0.07 -0.04 -0.04 2.12 1.47 1bd0A1 VAL 159 HG13 -0.18 -0.01 -0.23 -0.04 0.97 0.50 1bd0A1 VAL 159 HG23 -0.10 0.02 -0.34 -0.04 0.95 0.49 1bd0A1 LEU 160 H 0.05 0.26 0.05 -0.55 8.37 8.18 1bd0A1 LEU 160 HA 0.10 0.05 0.81 -0.75 4.35 4.56 1bd0A1 LEU 160 HB2 0.06 -0.03 0.06 -0.04 1.64 1.69 1bd0A1 LEU 160 HB3 0.03 0.05 0.19 -0.04 1.64 1.87 1bd0A1 LEU 160 HG -0.00 0.05 -0.14 -0.04 1.64 1.51 1bd0A1 LEU 160 HD13 0.03 -0.02 -0.00 -0.04 0.93 0.91 1bd0A1 LEU 160 HD23 0.01 -0.00 0.00 -0.04 0.89 0.86 1bd0A1 GLU 161 H -0.01 0.28 0.25 -0.55 8.60 8.56 1bd0A1 GLU 161 HA -0.02 0.08 0.51 -0.75 4.29 4.11 1bd0A1 GLU 161 HB2 0.13 -0.05 0.01 -0.04 2.09 2.14 1bd0A1 GLU 161 HB3 -0.08 0.04 -0.02 -0.04 1.99 1.89 1bd0A1 GLU 161 HG2 -0.01 -0.02 -0.27 -0.04 2.34 2.00 1bd0A1 GLU 161 HG3 0.09 0.02 -0.01 -0.04 2.34 2.40 1bd0A1 GLY 162 H -0.38 0.48 0.30 -0.55 8.43 8.29 1bd0A1 GLY 162 HA2 -0.09 0.26 0.84 -0.51 4.01 4.51 1bd0A1 GLY 162 HA3 -0.45 -0.05 0.30 -0.51 4.01 3.31 1bd0A1 LEU 163 H 0.17 0.58 0.32 -0.55 8.37 8.90 1bd0A1 LEU 163 HA 0.15 0.12 0.73 -0.75 4.35 4.59 1bd0A1 LEU 163 HB2 0.03 -0.03 0.17 -0.04 1.64 1.78 1bd0A1 LEU 163 HB3 0.02 0.02 -0.29 -0.04 1.64 1.35 1bd0A1 LEU 163 HG 0.09 -0.05 -0.24 -0.04 1.64 1.40 1bd0A1 LEU 163 HD13 -0.01 -0.00 -0.09 -0.04 0.93 0.78 1bd0A1 LEU 163 HD23 -0.09 0.02 -0.01 -0.04 0.89 0.78 1bd0A1 TYR 164 H -0.01 0.68 0.37 -0.55 8.29 8.78 1bd0A1 TYR 164 HA -0.28 0.18 0.79 -0.75 4.56 4.50 1bd0A1 TYR 164 HB2 -0.71 0.18 0.16 -0.04 3.06 2.64 1bd0A1 TYR 164 HB3 -1.40 -0.04 -0.30 -0.04 2.98 1.21 1bd0A1 TYR 164 HD2 -0.10 0.07 -0.28 -0.04 7.15 6.79 1bd0A1 TYR 164 HE2 0.01 -0.00 -0.22 -0.04 6.85 6.60 1bd0A1 THR 165 H -0.56 0.48 0.42 -0.55 8.28 8.07 1bd0A1 THR 165 HA -0.50 0.20 0.86 -0.75 4.39 4.19 1bd0A1 THR 165 HB -0.84 0.03 -0.04 -0.04 4.32 3.44 1bd0A1 THR 165 HG23 -1.26 0.01 -0.11 -0.04 1.22 -0.19 1bd0A1 HIS 166 H -0.30 0.18 0.27 -0.55 8.41 8.01 1bd0A1 HIS 166 HA -0.30 0.30 0.86 -0.75 4.63 4.73 1bd0A1 HIS 166 HB2 -0.05 0.09 -0.20 -0.04 3.26 3.07 1bd0A1 HIS 166 HB3 -0.11 -0.09 0.03 -0.04 3.20 2.99 1bd0A1 HIS 166 HD2 0.01 -0.06 -0.13 -0.04 6.97 6.74 1bd0A1 HIS 166 HE1 0.14 -0.10 0.06 -0.04 7.75 7.80 1bd0A1 PHE 167 H -0.51 0.20 0.18 -0.55 8.34 7.66 1bd0A1 PHE 167 HA -0.06 0.14 0.73 -0.75 4.62 4.68 1bd0A1 PHE 167 HB2 0.03 -0.05 0.12 -0.04 3.15 3.20 1bd0A1 PHE 167 HB3 0.17 -0.17 0.04 -0.04 3.06 3.06 1bd0A1 PHE 167 HD2 -0.02 -0.09 0.03 -0.04 7.28 7.15 1bd0A1 PHE 167 HE2 -0.07 0.00 -0.25 -0.04 7.38 7.02 1bd0A1 PHE 167 HZ 0.09 0.10 -0.10 -0.04 7.32 7.37 1bd0A1 ALA 168 H 0.29 0.15 0.13 -0.55 8.40 8.43 1bd0A1 ALA 168 HA 0.08 0.21 0.75 -0.75 4.34 4.63 1bd0A1 ALA 168 HB3 0.16 0.03 0.05 -0.04 1.41 1.61 1bd0A1 THR 169 H 0.31 -0.00 -0.03 -0.55 8.28 8.01 1bd0A1 THR 169 HA 0.11 0.27 0.85 -0.75 4.39 4.87 1bd0A1 THR 169 HB 0.12 0.06 0.18 -0.04 4.32 4.63 1bd0A1 THR 169 HG23 0.01 0.02 -0.22 -0.04 1.22 1.00 1bd0A1 ALA 170 H 0.22 0.14 -0.14 -0.55 8.40 8.07 1bd0A1 ALA 170 HA -0.02 0.18 0.37 -0.75 4.34 4.12 1bd0A1 ALA 170 HB3 0.16 0.00 0.03 -0.04 1.41 1.56 1bd0A1 ASP 171 H 0.07 0.02 -0.63 -0.55 8.40 7.32 1bd0A1 ASP 171 HA -0.01 0.25 0.69 -0.75 4.63 4.80 1bd0A1 ASP 171 HB2 0.04 -0.04 -0.10 -0.04 2.71 2.58 1bd0A1 ASP 171 HB3 0.08 -0.11 -0.12 -0.04 2.70 2.51 1bd0A1 GLU 172 H 0.01 0.42 -0.34 -0.55 8.60 8.14 1bd0A1 GLU 172 HA 0.01 0.08 0.81 -0.75 4.29 4.43 1bd0A1 GLU 172 HB2 0.05 0.18 0.14 -0.04 2.09 2.42 1bd0A1 GLU 172 HB3 0.03 -0.07 0.05 -0.04 1.99 1.95 1bd0A1 GLU 172 HG2 0.02 0.03 -0.05 -0.04 2.34 2.30 1bd0A1 GLU 172 HG3 0.04 -0.15 -0.19 -0.04 2.34 2.00 1bd0A1 VAL 173 H -0.00 0.11 0.04 -0.55 8.24 7.84 1bd0A1 VAL 173 HA -0.02 0.13 0.26 -0.75 4.13 3.75 1bd0A1 VAL 173 HB -0.01 0.07 0.04 -0.04 2.12 2.18 1bd0A1 VAL 173 HG13 -0.01 0.01 0.01 -0.04 0.97 0.93 1bd0A1 VAL 173 HG23 0.00 -0.04 -0.10 -0.04 0.95 0.78 1bd0A1 ASN 174 H 0.02 -0.00 -0.16 -0.55 8.53 7.84 1bd0A1 ASN 174 HA 0.02 0.09 0.48 -0.75 4.76 4.60 1bd0A1 ASN 174 HB2 0.02 0.07 0.08 -0.04 2.88 3.01 1bd0A1 ASN 174 HB3 0.03 -0.02 0.10 -0.04 2.79 2.86 1bd0A1 ASN 174 HD21 0.03 0.01 0.01 -0.04 7.03 7.04 1bd0A1 ASN 174 HD22 0.02 0.09 0.04 -0.04 7.74 7.85 1bd0A1 THR 175 H 0.04 0.18 0.16 -0.55 8.28 8.11 1bd0A1 THR 175 HA 0.10 0.21 0.87 -0.75 4.39 4.82 1bd0A1 THR 175 HB 0.02 -0.10 0.15 -0.04 4.32 4.35 1bd0A1 THR 175 HG23 0.01 0.12 -0.06 -0.04 1.22 1.25 1bd0A1 ASP 176 H 0.09 0.15 -0.20 -0.55 8.40 7.89 1bd0A1 ASP 176 HA 0.08 0.14 0.38 -0.75 4.63 4.48 1bd0A1 ASP 176 HB2 0.10 -0.05 0.10 -0.04 2.71 2.82 1bd0A1 ASP 176 HB3 0.09 0.07 -0.02 -0.04 2.70 2.80 1bd0A1 TYR 177 H 0.25 0.15 -0.06 -0.55 8.29 8.08 1bd0A1 TYR 177 HA 0.15 0.14 0.47 -0.75 4.56 4.57 1bd0A1 TYR 177 HB2 0.07 0.04 0.09 -0.04 3.06 3.22 1bd0A1 TYR 177 HB3 0.13 -0.02 0.01 -0.04 2.98 3.05 1bd0A1 TYR 177 HD2 0.07 -0.08 -0.07 -0.04 7.15 7.03 1bd0A1 TYR 177 HE2 0.02 0.01 -0.02 -0.04 6.85 6.81 1bd0A1 PHE 178 H 0.32 0.14 -0.29 -0.55 8.34 7.96 1bd0A1 PHE 178 HA 0.06 -0.07 0.34 -0.75 4.62 4.20 1bd0A1 PHE 178 HB2 -0.01 0.01 -0.08 -0.04 3.15 3.03 1bd0A1 PHE 178 HB3 -0.05 0.11 0.05 -0.04 3.06 3.13 1bd0A1 PHE 178 HD2 -0.35 -0.08 -0.16 -0.04 7.28 6.65 1bd0A1 PHE 178 HE2 -0.89 -0.02 -0.02 -0.04 7.38 6.40 1bd0A1 PHE 178 HZ -0.30 0.12 0.00 -0.04 7.32 7.11 1bd0A1 SER 179 H 0.17 0.60 -0.23 -0.55 8.46 8.45 1bd0A1 SER 179 HA -0.03 0.03 0.39 -0.75 4.49 4.12 1bd0A1 SER 179 HB2 0.07 0.12 0.14 -0.04 3.95 4.24 1bd0A1 SER 179 HB3 0.02 -0.04 0.04 -0.04 3.93 3.91 1bd0A1 TYR 180 H 0.10 0.32 -0.29 -0.55 8.29 7.87 1bd0A1 TYR 180 HA -0.05 0.05 0.48 -0.75 4.56 4.27 1bd0A1 TYR 180 HB2 -0.08 -0.00 0.12 -0.04 3.06 3.06 1bd0A1 TYR 180 HB3 -0.28 0.08 0.27 -0.04 2.98 3.01 1bd0A1 TYR 180 HD2 -0.46 -0.01 0.04 -0.04 7.15 6.68 1bd0A1 TYR 180 HE2 -0.11 0.01 0.02 -0.04 6.85 6.73 1bd0A1 GLN 181 H -0.17 0.53 -0.02 -0.55 8.47 8.26 1bd0A1 GLN 181 HA -0.51 0.17 0.48 -0.75 4.36 3.75 1bd0A1 GLN 181 HB2 0.06 0.08 0.16 -0.04 2.15 2.41 1bd0A1 GLN 181 HB3 -0.06 -0.09 -0.05 -0.04 2.02 1.79 1bd0A1 GLN 181 HG2 -0.20 0.32 0.04 -0.04 2.40 2.52 1bd0A1 GLN 181 HG3 -0.29 0.15 0.06 -0.04 2.39 2.27 1bd0A1 GLN 181 HE21 0.00 0.17 0.08 -0.04 6.97 7.19 1bd0A1 GLN 181 HE22 -0.10 -0.02 -0.23 -0.04 7.69 7.30 1bd0A1 TYR 182 H -0.05 0.54 -0.12 -0.55 8.29 8.11 1bd0A1 TYR 182 HA 0.14 0.00 0.37 -0.75 4.56 4.32 1bd0A1 TYR 182 HB2 -0.37 0.02 0.10 -0.04 3.06 2.76 1bd0A1 TYR 182 HB3 -0.14 0.10 0.12 -0.04 2.98 3.02 1bd0A1 TYR 182 HD2 0.12 -0.01 -0.10 -0.04 7.15 7.11 1bd0A1 TYR 182 HE2 0.07 0.06 -0.06 -0.04 6.85 6.87 1bd0A1 THR 183 H 0.02 0.52 -0.15 -0.55 8.28 8.12 1bd0A1 THR 183 HA -0.02 0.03 0.45 -0.75 4.39 4.09 1bd0A1 THR 183 HB -0.06 0.12 0.16 -0.04 4.32 4.50 1bd0A1 THR 183 HG23 -0.03 -0.02 -0.05 -0.04 1.22 1.07 1bd0A1 ARG 184 H -0.30 0.49 -0.25 -0.55 8.46 7.85 1bd0A1 ARG 184 HA -0.19 -0.01 0.47 -0.75 4.34 3.86 1bd0A1 ARG 184 HB2 -0.79 0.07 0.15 -0.04 1.90 1.29 1bd0A1 ARG 184 HB3 -0.39 0.12 0.27 -0.04 1.80 1.76 1bd0A1 ARG 184 HG2 -0.23 0.00 0.06 -0.04 1.67 1.47 1bd0A1 ARG 184 HG3 -0.18 -0.04 -0.12 -0.04 1.67 1.29 1bd0A1 ARG 184 HD2 -0.09 -0.06 0.15 -0.04 3.22 3.17 1bd0A1 ARG 184 HD3 -0.10 0.00 0.05 -0.04 3.22 3.13 1bd0A1 PHE 185 H -0.08 0.70 -0.05 -0.55 8.34 8.36 1bd0A1 PHE 185 HA -0.32 -0.04 0.35 -0.75 4.62 3.85 1bd0A1 PHE 185 HB2 -0.28 -0.02 0.08 -0.04 3.15 2.89 1bd0A1 PHE 185 HB3 -0.32 0.18 0.13 -0.04 3.06 3.02 1bd0A1 PHE 185 HD2 -0.29 -0.02 -0.08 -0.04 7.28 6.85 1bd0A1 PHE 185 HE2 -0.61 -0.00 -0.22 -0.04 7.38 6.51 1bd0A1 PHE 185 HZ -0.37 0.12 -0.09 -0.04 7.32 6.94 1bd0A1 LEU 186 H -0.22 0.52 -0.18 -0.55 8.37 7.95 1bd0A1 LEU 186 HA -0.39 0.02 0.33 -0.75 4.35 3.56 1bd0A1 LEU 186 HB2 -0.14 0.14 0.17 -0.04 1.64 1.77 1bd0A1 LEU 186 HB3 -0.12 -0.03 -0.02 -0.04 1.64 1.43 1bd0A1 LEU 186 HG -0.42 0.10 0.03 -0.04 1.64 1.31 1bd0A1 LEU 186 HD13 0.03 -0.03 -0.04 -0.04 0.93 0.85 1bd0A1 LEU 186 HD23 -0.06 -0.01 -0.01 -0.04 0.89 0.77 1bd0A1 HIS 187 H -0.14 0.41 -0.29 -0.55 8.41 7.85 1bd0A1 HIS 187 HA -0.24 0.06 0.51 -0.75 4.63 4.20 1bd0A1 HIS 187 HB2 -0.16 0.02 0.11 -0.04 3.26 3.19 1bd0A1 HIS 187 HB3 -0.27 0.12 0.18 -0.04 3.20 3.19 1bd0A1 HIS 187 HD2 -0.05 0.01 0.03 -0.04 6.97 6.92 1bd0A1 HIS 187 HE1 0.36 -0.06 -0.04 -0.04 7.75 7.97 1bd0A1 MET 188 H -0.53 0.60 -0.02 -0.55 8.47 7.97 1bd0A1 MET 188 HA -2.59 -0.02 0.40 -0.75 4.52 1.55 1bd0A1 MET 188 HB2 -0.46 0.10 0.07 -0.04 2.15 1.82 1bd0A1 MET 188 HB3 -0.69 -0.09 -0.07 -0.04 2.03 1.14 1bd0A1 MET 188 HG2 -1.52 -0.09 -0.05 -0.04 2.63 0.92 1bd0A1 MET 188 HG3 -0.56 0.12 0.04 -0.04 2.56 2.11 1bd0A1 MET 188 HE3 0.12 -0.02 -0.14 -0.04 2.10 2.02 1bd0A1 LEU 189 H -0.58 0.58 -0.28 -0.55 8.37 7.55 1bd0A1 LEU 189 HA -0.36 -0.03 0.32 -0.75 4.35 3.53 1bd0A1 LEU 189 HB2 -0.48 0.19 0.06 -0.04 1.64 1.37 1bd0A1 LEU 189 HB3 -0.37 -0.01 -0.06 -0.04 1.64 1.16 1bd0A1 LEU 189 HG -1.39 0.16 -0.07 -0.04 1.64 0.29 1bd0A1 LEU 189 HD13 -0.92 -0.02 -0.10 -0.04 0.93 -0.15 1bd0A1 LEU 189 HD23 -0.56 -0.02 -0.06 -0.04 0.89 0.21 1bd0A1 GLU 190 H -0.46 0.30 -0.59 -0.55 8.60 7.31 1bd0A1 GLU 190 HA -0.12 0.07 0.32 -0.75 4.29 3.80 1bd0A1 GLU 190 HB2 -0.36 0.34 0.14 -0.04 2.09 2.17 1bd0A1 GLU 190 HB3 -0.07 -0.09 0.04 -0.04 1.99 1.83 1bd0A1 GLU 190 HG2 -0.18 0.20 0.12 -0.04 2.34 2.44 1bd0A1 GLU 190 HG3 -0.07 -0.10 0.05 -0.04 2.34 2.18 1bd0A1 TRP 191 H -0.29 0.50 -0.50 -0.55 7.97 7.14 1bd0A1 TRP 191 HA -0.09 0.02 0.45 -0.75 4.62 4.24 1bd0A1 TRP 191 HB2 -0.10 0.14 0.04 -0.04 3.23 3.26 1bd0A1 TRP 191 HB3 -0.07 -0.14 0.06 -0.04 3.23 3.03 1bd0A1 TRP 191 HD1 -0.16 0.07 -0.16 -0.04 7.22 6.93 1bd0A1 TRP 191 HE1 -0.29 -0.01 -0.05 -0.04 10.20 9.81 1bd0A1 TRP 191 HE3 -0.07 0.04 -0.15 -0.04 7.59 7.37 1bd0A1 TRP 191 HZ2 0.04 0.02 -0.02 -0.04 7.44 7.44 1bd0A1 TRP 191 HZ3 -0.03 -0.05 -0.48 -0.04 7.13 6.52 1bd0A1 TRP 191 HH2 0.01 0.18 -0.07 -0.04 7.19 7.27 1bd0A1 LEU 192 H 0.01 0.41 -0.30 -0.55 8.37 7.94 1bd0A1 LEU 192 HA 0.05 0.00 0.47 -0.75 4.35 4.12 1bd0A1 LEU 192 HB2 -0.04 0.15 0.01 -0.04 1.64 1.72 1bd0A1 LEU 192 HB3 -0.01 0.08 -0.03 -0.04 1.64 1.65 1bd0A1 LEU 192 HG -0.03 -0.03 0.01 -0.04 1.64 1.55 1bd0A1 LEU 192 HD13 -0.06 0.01 0.01 -0.04 0.93 0.85 1bd0A1 LEU 192 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.81 1bd0A1 PRO 193 HA 0.01 0.10 0.48 -0.51 4.44 4.53 1bd0A1 PRO 193 HB2 0.01 0.01 -0.01 -0.04 2.28 2.25 1bd0A1 PRO 193 HB3 0.01 -0.01 0.10 -0.04 2.02 2.09 1bd0A1 PRO 193 HG2 0.01 0.03 0.10 -0.04 2.03 2.12 1bd0A1 PRO 193 HG3 0.02 -0.00 0.08 -0.04 2.03 2.08 1bd0A1 PRO 193 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 1bd0A1 PRO 193 HD3 0.03 0.16 0.24 -0.04 3.65 4.04 1bd0A1 SER 194 H 0.01 0.18 -0.08 -0.55 8.46 8.02 1bd0A1 SER 194 HA 0.00 0.15 0.72 -0.75 4.49 4.61 1bd0A1 SER 194 HB2 0.01 0.02 0.01 -0.04 3.95 3.95 1bd0A1 SER 194 HB3 0.01 -0.08 -0.16 -0.04 3.93 3.66 1bd0A1 ARG 195 H -0.00 0.11 0.04 -0.55 8.46 8.06 1bd0A1 ARG 195 HA -0.03 0.11 0.52 -0.75 4.34 4.19 1bd0A1 ARG 195 HB2 -0.02 -0.02 0.03 -0.04 1.90 1.84 1bd0A1 ARG 195 HB3 0.00 -0.05 0.09 -0.04 1.80 1.81 1bd0A1 ARG 195 HG2 0.01 0.33 -0.23 -0.04 1.67 1.73 1bd0A1 ARG 195 HG3 -0.03 -0.08 -0.04 -0.04 1.67 1.48 1bd0A1 ARG 195 HD2 0.03 -0.07 -0.04 -0.04 3.22 3.09 1bd0A1 ARG 195 HD3 0.03 -0.03 -0.08 -0.04 3.22 3.10 1bd0A1 PRO 196 HA 0.00 0.15 0.42 -0.51 4.44 4.50 1bd0A1 PRO 196 HB2 -0.01 -0.01 -0.18 -0.04 2.28 2.04 1bd0A1 PRO 196 HB3 -0.02 0.15 -0.27 -0.04 2.02 1.83 1bd0A1 PRO 196 HG2 -0.00 -0.05 -0.19 -0.04 2.03 1.74 1bd0A1 PRO 196 HG3 -0.01 0.04 -0.04 -0.04 2.03 1.99 1bd0A1 PRO 196 HD2 -0.02 0.04 0.09 -0.04 3.68 3.74 1bd0A1 PRO 196 HD3 -0.03 0.20 0.27 -0.04 3.65 4.05 1bd0A1 PRO 197 HA 0.05 0.04 0.41 -0.51 4.44 4.43 1bd0A1 PRO 197 HB2 0.03 -0.01 0.02 -0.04 2.28 2.28 1bd0A1 PRO 197 HB3 0.04 -0.03 0.14 -0.04 2.02 2.12 1bd0A1 PRO 197 HG2 0.01 0.21 0.26 -0.04 2.03 2.46 1bd0A1 PRO 197 HG3 0.02 -0.05 0.13 -0.04 2.03 2.09 1bd0A1 PRO 197 HD2 -0.01 0.24 0.29 -0.04 3.68 4.17 1bd0A1 PRO 197 HD3 0.01 0.07 0.21 -0.04 3.65 3.91 1bd0A1 LEU 198 H 0.02 0.42 -0.13 -0.55 8.37 8.13 1bd0A1 LEU 198 HA 0.12 0.19 1.00 -0.75 4.35 4.91 1bd0A1 LEU 198 HB2 0.05 -0.03 0.01 -0.04 1.64 1.63 1bd0A1 LEU 198 HB3 0.10 -0.06 -0.15 -0.04 1.64 1.48 1bd0A1 LEU 198 HG -0.01 -0.00 -0.30 -0.04 1.64 1.30 1bd0A1 LEU 198 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.71 1bd0A1 LEU 198 HD23 -0.11 0.04 -0.08 -0.04 0.89 0.70 1bd0A1 VAL 199 H 0.19 0.22 0.12 -0.55 8.24 8.23 1bd0A1 VAL 199 HA 0.15 0.31 0.99 -0.75 4.13 4.82 1bd0A1 VAL 199 HB 0.13 -0.10 0.16 -0.04 2.12 2.27 1bd0A1 VAL 199 HG13 -0.47 -0.01 -0.10 -0.04 0.97 0.36 1bd0A1 VAL 199 HG23 -0.01 0.05 -0.14 -0.04 0.95 0.80 1bd0A1 HIS 200 H 0.10 0.49 0.33 -0.55 8.41 8.78 1bd0A1 HIS 200 HA 0.26 0.23 0.86 -0.75 4.63 5.23 1bd0A1 HIS 200 HB2 0.12 -0.02 0.02 -0.04 3.26 3.34 1bd0A1 HIS 200 HB3 0.15 0.08 -0.10 -0.04 3.20 3.28 1bd0A1 HIS 200 HD2 0.14 0.02 -0.45 -0.04 6.97 6.63 1bd0A1 HIS 200 HE1 -0.90 -0.05 -0.26 -0.04 7.75 6.50 1bd0A1 CYS 201 H 0.33 0.12 0.27 -0.55 8.50 8.68 1bd0A1 CYS 201 HA -0.20 0.23 0.78 -0.75 4.58 4.64 1bd0A1 CYS 201 HB2 -0.42 -0.12 -0.04 -0.04 2.97 2.34 1bd0A1 CYS 201 HB3 -0.39 0.07 -0.20 -0.04 2.97 2.41 1bd0A1 ALA 202 H 0.38 0.14 0.26 -0.55 8.40 8.64 1bd0A1 ALA 202 HA 0.58 -0.06 0.58 -0.75 4.34 4.69 1bd0A1 ALA 202 HB3 0.35 0.07 0.01 -0.04 1.41 1.80 1bd0A1 ASN 203 H 0.39 -0.06 0.20 -0.55 8.53 8.51 1bd0A1 ASN 203 HA 0.29 0.52 0.83 -0.75 4.76 5.65 1bd0A1 ASN 203 HB2 0.30 -0.16 0.30 -0.04 2.88 3.28 1bd0A1 ASN 203 HB3 0.39 0.14 0.16 -0.04 2.79 3.44 1bd0A1 ASN 203 HD21 0.17 -0.06 0.02 -0.04 7.03 7.12 1bd0A1 ASN 203 HD22 0.22 0.11 0.09 -0.04 7.74 8.12 1bd0A1 SER 204 H 0.21 0.08 0.22 -0.55 8.46 8.43 1bd0A1 SER 204 HA 0.40 0.21 0.40 -0.75 4.49 4.74 1bd0A1 SER 204 HB2 0.09 -0.05 0.22 -0.04 3.95 4.17 1bd0A1 SER 204 HB3 0.03 0.19 0.02 -0.04 3.93 4.13 1bd0A1 ALA 205 H 0.14 0.01 -0.03 -0.55 8.40 7.97 1bd0A1 ALA 205 HA -0.01 0.17 0.35 -0.75 4.34 4.10 1bd0A1 ALA 205 HB3 0.03 0.04 -0.13 -0.04 1.41 1.31 1bd0A1 ALA 206 H 0.16 -0.11 -0.26 -0.55 8.40 7.65 1bd0A1 ALA 206 HA -0.01 0.15 0.40 -0.75 4.34 4.13 1bd0A1 ALA 206 HB3 0.37 -0.03 0.08 -0.04 1.41 1.78 1bd0A1 SER 207 H 0.17 0.27 -0.39 -0.55 8.46 7.96 1bd0A1 SER 207 HA 0.12 0.10 0.26 -0.75 4.49 4.22 1bd0A1 SER 207 HB2 0.19 0.02 0.11 -0.04 3.95 4.22 1bd0A1 SER 207 HB3 0.04 0.06 -0.12 -0.04 3.93 3.86 1bd0A1 LEU 208 H 0.03 0.43 -0.05 -0.55 8.37 8.24 1bd0A1 LEU 208 HA -0.05 0.12 0.42 -0.75 4.35 4.09 1bd0A1 LEU 208 HB2 -0.08 -0.03 0.06 -0.04 1.64 1.54 1bd0A1 LEU 208 HB3 -0.15 0.02 0.07 -0.04 1.64 1.54 1bd0A1 LEU 208 HG 0.14 -0.01 0.05 -0.04 1.64 1.78 1bd0A1 LEU 208 HD13 0.04 -0.05 -0.07 -0.04 0.93 0.80 1bd0A1 LEU 208 HD23 -0.09 0.02 -0.05 -0.04 0.89 0.73 1bd0A1 ARG 209 H -0.25 0.21 -0.31 -0.55 8.46 7.56 1bd0A1 ARG 209 HA -0.42 0.22 0.73 -0.75 4.34 4.12 1bd0A1 ARG 209 HB2 -0.99 -0.02 0.10 -0.04 1.90 0.94 1bd0A1 ARG 209 HB3 -1.34 -0.06 0.02 -0.04 1.80 0.38 1bd0A1 ARG 209 HG2 -0.33 0.10 -0.07 -0.04 1.67 1.32 1bd0A1 ARG 209 HG3 -0.28 -0.01 0.02 -0.04 1.67 1.36 1bd0A1 ARG 209 HD2 -0.19 -0.13 -0.07 -0.04 3.22 2.79 1bd0A1 ARG 209 HD3 -0.29 0.04 -0.04 -0.04 3.22 2.89 1bd0A1 PHE 210 H -0.23 0.39 -0.19 -0.55 8.34 7.76 1bd0A1 PHE 210 HA -0.05 0.19 0.87 -0.75 4.62 4.88 1bd0A1 PHE 210 HB2 -0.03 0.03 0.20 -0.04 3.15 3.31 1bd0A1 PHE 210 HB3 -0.07 -0.07 0.10 -0.04 3.06 2.98 1bd0A1 PHE 210 HD2 -0.25 0.01 -0.00 -0.04 7.28 6.99 1bd0A1 PHE 210 HE2 -0.45 -0.02 -0.04 -0.04 7.38 6.82 1bd0A1 PHE 210 HZ -0.23 0.00 -0.04 -0.04 7.32 7.01 1bd0A1 PRO 211 HA 0.06 0.04 0.41 -0.51 4.44 4.45 1bd0A1 PRO 211 HB2 0.01 0.07 -0.05 -0.04 2.28 2.27 1bd0A1 PRO 211 HB3 0.01 0.09 0.01 -0.04 2.02 2.09 1bd0A1 PRO 211 HG2 0.01 -0.05 -0.01 -0.04 2.03 1.93 1bd0A1 PRO 211 HG3 -0.01 0.09 -0.03 -0.04 2.03 2.04 1bd0A1 PRO 211 HD2 -0.02 0.17 -0.18 -0.04 3.68 3.61 1bd0A1 PRO 211 HD3 -0.07 0.21 -0.51 -0.04 3.65 3.24 1bd0A1 ASP 212 H 0.07 0.08 -0.55 -0.55 8.40 7.45 1bd0A1 ASP 212 HA 0.02 0.16 0.60 -0.75 4.63 4.66 1bd0A1 ASP 212 HB2 0.00 -0.02 0.13 -0.04 2.71 2.78 1bd0A1 ASP 212 HB3 0.02 0.05 0.04 -0.04 2.70 2.76 1bd0A1 ARG 213 H 0.09 0.61 -0.38 -0.55 8.46 8.23 1bd0A1 ARG 213 HA -0.04 0.13 0.78 -0.75 4.34 4.46 1bd0A1 ARG 213 HB2 0.05 0.07 0.18 -0.04 1.90 2.16 1bd0A1 ARG 213 HB3 -0.24 -0.07 0.14 -0.04 1.80 1.59 1bd0A1 ARG 213 HG2 -0.04 -0.10 -0.52 -0.04 1.67 0.97 1bd0A1 ARG 213 HG3 -0.21 -0.03 -0.05 -0.04 1.67 1.34 1bd0A1 ARG 213 HD2 -0.55 -0.06 -0.01 -0.04 3.22 2.55 1bd0A1 ARG 213 HD3 -0.10 0.12 -0.01 -0.04 3.22 3.19 1bd0A1 THR 214 H 0.04 0.23 -0.16 -0.55 8.28 7.84 1bd0A1 THR 214 HA 0.34 0.06 0.95 -0.75 4.39 4.99 1bd0A1 THR 214 HB 0.20 -0.08 -0.02 -0.04 4.32 4.38 1bd0A1 THR 214 HG23 0.16 -0.03 -0.16 -0.04 1.22 1.16 1bd0A1 PHE 215 H -0.16 0.02 -0.01 -0.55 8.34 7.63 1bd0A1 PHE 215 HA 0.12 0.02 0.28 -0.75 4.62 4.29 1bd0A1 PHE 215 HB2 0.23 0.20 -0.04 -0.04 3.15 3.50 1bd0A1 PHE 215 HB3 0.16 0.00 0.21 -0.04 3.06 3.39 1bd0A1 PHE 215 HD2 0.18 -0.00 -0.23 -0.04 7.28 7.19 1bd0A1 PHE 215 HE2 0.04 -0.01 -0.11 -0.04 7.38 7.26 1bd0A1 PHE 215 HZ -0.34 -0.01 -0.10 -0.04 7.32 6.83 1bd0A1 ASN 216 H 0.34 0.30 0.32 -0.55 8.53 8.94 1bd0A1 ASN 216 HA 0.14 0.35 1.39 -0.75 4.76 5.89 1bd0A1 ASN 216 HB2 0.14 0.20 0.38 -0.04 2.88 3.56 1bd0A1 ASN 216 HB3 0.14 -0.06 0.02 -0.04 2.79 2.84 1bd0A1 ASN 216 HD21 0.14 0.45 0.22 -0.04 7.03 7.80 1bd0A1 ASN 216 HD22 0.15 -0.04 0.13 -0.04 7.74 7.93 1bd0A1 MET 217 H 0.26 0.39 0.00 -0.55 8.47 8.58 1bd0A1 MET 217 HA 0.15 0.29 0.50 -0.75 4.52 4.71 1bd0A1 MET 217 HB2 0.11 0.14 -0.14 -0.04 2.15 2.22 1bd0A1 MET 217 HB3 0.01 -0.11 -0.20 -0.04 2.03 1.70 1bd0A1 MET 217 HG2 -0.14 -0.06 -0.44 -0.04 2.63 1.95 1bd0A1 MET 217 HG3 0.01 0.03 -0.23 -0.04 2.56 2.33 1bd0A1 MET 217 HE3 -0.72 -0.03 -0.28 -0.04 2.10 1.03 1bd0A1 VAL 218 H 0.09 0.55 0.22 -0.55 8.24 8.55 1bd0A1 VAL 218 HA 0.20 0.12 0.96 -0.75 4.13 4.65 1bd0A1 VAL 218 HB 0.16 -0.06 -0.07 -0.04 2.12 2.11 1bd0A1 VAL 218 HG13 0.13 0.02 -0.12 -0.04 0.97 0.96 1bd0A1 VAL 218 HG23 0.02 0.04 -0.07 -0.04 0.95 0.91 1bd0A1 ARG 219 H 0.21 0.69 0.18 -0.55 8.46 8.99 1bd0A1 ARG 219 HA 0.09 0.34 0.85 -0.75 4.34 4.86 1bd0A1 ARG 219 HB2 0.18 -0.04 0.13 -0.04 1.90 2.13 1bd0A1 ARG 219 HB3 0.09 -0.07 -0.06 -0.04 1.80 1.72 1bd0A1 ARG 219 HG2 -0.03 0.06 -0.28 -0.04 1.67 1.38 1bd0A1 ARG 219 HG3 0.18 0.02 -0.34 -0.04 1.67 1.49 1bd0A1 ARG 219 HD2 -0.05 -0.05 -0.18 -0.04 3.22 2.89 1bd0A1 ARG 219 HD3 0.11 0.04 -0.23 -0.04 3.22 3.09 1bd0A1 PHE 220 H 0.22 0.58 0.04 -0.55 8.34 8.63 1bd0A1 PHE 220 HA 0.05 -0.11 0.52 -0.75 4.62 4.34 1bd0A1 PHE 220 HB2 0.01 0.09 -0.09 -0.04 3.15 3.12 1bd0A1 PHE 220 HB3 -0.05 0.02 0.05 -0.04 3.06 3.04 1bd0A1 PHE 220 HD2 -0.03 -0.01 -0.13 -0.04 7.28 7.07 1bd0A1 PHE 220 HE2 -0.02 0.07 -0.22 -0.04 7.38 7.17 1bd0A1 PHE 220 HZ 0.05 0.12 -0.22 -0.04 7.32 7.23 1bd0A1 GLY 221 H -0.10 -0.04 0.18 -0.55 8.43 7.92 1bd0A1 GLY 221 HA2 -0.24 0.37 1.01 -0.51 4.01 4.65 1bd0A1 GLY 221 HA3 0.03 -0.02 0.40 -0.51 4.01 3.91 1bd0A1 ILE 222 H 0.16 0.10 0.17 -0.55 8.25 8.13 1bd0A1 ILE 222 HA 0.09 0.13 0.31 -0.75 4.18 3.96 1bd0A1 ILE 222 HB -0.14 -0.02 0.13 -0.04 1.89 1.82 1bd0A1 ILE 222 HG12 -0.82 0.02 -0.22 -0.04 1.49 0.43 1bd0A1 ILE 222 HG13 -0.25 0.14 -0.32 -0.04 1.21 0.74 1bd0A1 ILE 222 HG23 -0.04 0.01 -0.00 -0.04 0.93 0.86 1bd0A1 ILE 222 HD13 -0.41 -0.00 -0.06 -0.04 0.88 0.37 1bd0A1 ALA 223 H -0.38 -0.06 -0.20 -0.55 8.40 7.21 1bd0A1 ALA 223 HA -0.16 0.20 0.37 -0.75 4.34 4.00 1bd0A1 ALA 223 HB3 -0.25 0.02 -0.01 -0.04 1.41 1.13 1bd0A1 MET 224 H -0.94 0.33 -0.33 -0.55 8.47 6.98 1bd0A1 MET 224 HA -0.16 0.10 0.30 -0.75 4.52 4.00 1bd0A1 MET 224 HB2 -0.47 -0.06 -0.05 -0.04 2.15 1.53 1bd0A1 MET 224 HB3 -0.94 0.22 0.03 -0.04 2.03 1.31 1bd0A1 MET 224 HG2 -0.78 -0.02 -0.25 -0.04 2.63 1.54 1bd0A1 MET 224 HG3 -0.23 0.05 0.03 -0.04 2.56 2.37 1bd0A1 MET 224 HE3 -0.54 -0.00 -0.07 -0.04 2.10 1.44 1bd0A1 TYR 225 H -0.38 0.28 -0.40 -0.55 8.29 7.23 1bd0A1 TYR 225 HA -0.20 0.14 0.59 -0.75 4.56 4.34 1bd0A1 TYR 225 HB2 -0.24 0.03 0.05 -0.04 3.06 2.86 1bd0A1 TYR 225 HB3 -0.43 -0.04 0.12 -0.04 2.98 2.58 1bd0A1 TYR 225 HD2 -0.81 -0.05 -0.10 -0.04 7.15 6.16 1bd0A1 TYR 225 HE2 -0.77 -0.09 -0.18 -0.04 6.85 5.77 1bd0A1 GLY 226 H -0.08 0.48 -0.59 -0.55 8.43 7.69 1bd0A1 GLY 226 HA2 0.02 0.01 0.13 -0.51 4.01 3.67 1bd0A1 GLY 226 HA3 0.05 0.22 -0.02 -0.51 4.01 3.74 1bd0A1 LEU 227 H -0.04 0.33 -0.18 -0.55 8.37 7.93 1bd0A1 LEU 227 HA -0.02 0.11 0.81 -0.75 4.35 4.50 1bd0A1 LEU 227 HB2 -0.10 0.03 -0.08 -0.04 1.64 1.46 1bd0A1 LEU 227 HB3 -0.10 -0.06 -0.11 -0.04 1.64 1.33 1bd0A1 LEU 227 HG 0.06 0.13 -0.37 -0.04 1.64 1.42 1bd0A1 LEU 227 HD13 -0.00 -0.00 -0.09 -0.04 0.93 0.79 1bd0A1 LEU 227 HD23 0.02 0.00 -0.06 -0.04 0.89 0.82 1bd0A1 ALA 228 H -0.04 0.11 0.03 -0.55 8.40 7.95 1bd0A1 ALA 228 HA -0.05 0.19 0.40 -0.75 4.34 4.12 1bd0A1 ALA 228 HB3 -0.03 0.03 -0.06 -0.04 1.41 1.32 1bd0A1 PRO 229 HA 0.04 -0.02 0.36 -0.51 4.44 4.32 1bd0A1 PRO 229 HB2 0.04 0.10 -0.01 -0.04 2.28 2.37 1bd0A1 PRO 229 HB3 0.12 -0.13 0.09 -0.04 2.02 2.06 1bd0A1 PRO 229 HG2 0.01 0.12 -0.05 -0.04 2.03 2.06 1bd0A1 PRO 229 HG3 0.02 -0.13 0.03 -0.04 2.03 1.91 1bd0A1 PRO 229 HD2 -0.04 0.20 0.10 -0.04 3.68 3.90 1bd0A1 PRO 229 HD3 -0.05 0.25 0.16 -0.04 3.65 3.97 1bd0A1 SER 230 H 0.00 0.26 -0.42 -0.55 8.46 7.76 1bd0A1 SER 230 HA 0.04 0.15 0.50 -0.75 4.49 4.43 1bd0A1 SER 230 HB2 0.03 0.01 0.13 -0.04 3.95 4.07 1bd0A1 SER 230 HB3 0.05 0.06 -0.15 -0.04 3.93 3.85 1bd0A1 PRO 231 HA -0.01 0.09 0.51 -0.51 4.44 4.53 1bd0A1 PRO 231 HB2 0.00 0.08 0.03 -0.04 2.28 2.35 1bd0A1 PRO 231 HB3 0.00 0.06 0.13 -0.04 2.02 2.16 1bd0A1 PRO 231 HG2 0.01 0.11 0.10 -0.04 2.03 2.20 1bd0A1 PRO 231 HG3 0.00 0.00 0.09 -0.04 2.03 2.08 1bd0A1 PRO 231 HD2 0.01 0.13 0.21 -0.04 3.68 3.99 1bd0A1 PRO 231 HD3 0.02 0.13 0.18 -0.04 3.65 3.94 1bd0A1 GLY 232 H 0.00 0.08 -0.31 -0.55 8.43 7.66 1bd0A1 GLY 232 HA2 -0.01 0.12 0.39 -0.51 4.01 4.00 1bd0A1 GLY 232 HA3 -0.00 0.02 0.27 -0.51 4.01 3.79 1bd0A1 ILE 233 H -0.02 0.26 -0.34 -0.55 8.25 7.60 1bd0A1 ILE 233 HA -0.04 0.22 0.77 -0.75 4.18 4.37 1bd0A1 ILE 233 HB -0.08 0.07 0.02 -0.04 1.89 1.86 1bd0A1 ILE 233 HG12 -0.02 -0.05 -0.01 -0.04 1.49 1.36 1bd0A1 ILE 233 HG13 -0.05 0.07 -0.35 -0.04 1.21 0.84 1bd0A1 ILE 233 HG23 -0.03 -0.03 -0.28 -0.04 0.93 0.54 1bd0A1 ILE 233 HD13 -0.06 -0.01 -0.05 -0.04 0.88 0.72 1bd0A1 LYS 234 H -0.03 0.33 -0.49 -0.55 8.42 7.68 1bd0A1 LYS 234 HA -0.04 -0.02 0.35 -0.75 4.32 3.85 1bd0A1 LYS 234 HB2 -0.02 0.33 0.21 -0.04 1.87 2.35 1bd0A1 LYS 234 HB3 -0.02 0.02 -0.03 -0.04 1.79 1.72 1bd0A1 LYS 234 HG2 -0.02 -0.00 0.05 -0.04 1.46 1.44 1bd0A1 LYS 234 HG3 -0.02 -0.11 0.07 -0.04 1.46 1.36 1bd0A1 LYS 234 HD2 -0.01 -0.08 0.24 -0.04 1.69 1.80 1bd0A1 LYS 234 HD3 -0.00 0.05 0.08 -0.04 1.68 1.77 1bd0A1 LYS 234 HE2 0.00 0.04 0.03 -0.04 2.99 3.03 1bd0A1 LYS 234 HE3 -0.01 -0.07 0.04 -0.04 2.99 2.91 1bd0A1 PRO 235 HA -0.03 0.10 0.40 -0.51 4.44 4.40 1bd0A1 PRO 235 HB2 -0.02 0.05 -0.03 -0.04 2.28 2.23 1bd0A1 PRO 235 HB3 -0.02 -0.01 0.07 -0.04 2.02 2.03 1bd0A1 PRO 235 HG2 -0.03 0.06 -0.05 -0.04 2.03 1.97 1bd0A1 PRO 235 HG3 -0.02 0.01 0.03 -0.04 2.03 2.01 1bd0A1 PRO 235 HD2 -0.03 0.02 -0.28 -0.04 3.68 3.36 1bd0A1 PRO 235 HD3 -0.02 0.10 0.08 -0.04 3.65 3.77 1bd0A1 LEU 236 H -0.06 0.20 -0.75 -0.55 8.37 7.22 1bd0A1 LEU 236 HA -0.07 0.15 0.62 -0.75 4.35 4.30 1bd0A1 LEU 236 HB2 -0.11 0.05 0.00 -0.04 1.64 1.54 1bd0A1 LEU 236 HB3 -0.13 0.00 0.10 -0.04 1.64 1.57 1bd0A1 LEU 236 HG -0.05 -0.08 -0.12 -0.04 1.64 1.34 1bd0A1 LEU 236 HD13 -0.06 -0.04 -0.02 -0.04 0.93 0.77 1bd0A1 LEU 236 HD23 -0.05 0.01 -0.06 -0.04 0.89 0.75 1bd0A1 LEU 237 H -0.08 0.38 -0.26 -0.55 8.37 7.86 1bd0A1 LEU 237 HA -0.16 0.06 0.48 -0.75 4.35 3.98 1bd0A1 LEU 237 HB2 -0.11 0.06 0.08 -0.04 1.64 1.63 1bd0A1 LEU 237 HB3 -0.21 -0.01 0.01 -0.04 1.64 1.39 1bd0A1 LEU 237 HG -0.09 0.21 0.10 -0.04 1.64 1.81 1bd0A1 LEU 237 HD13 -0.08 -0.04 0.02 -0.04 0.93 0.80 1bd0A1 LEU 237 HD23 -0.12 -0.04 -0.07 -0.04 0.89 0.61 1bd0A1 PRO 238 HA -0.03 0.07 0.42 -0.51 4.44 4.38 1bd0A1 PRO 238 HB2 0.10 -0.01 -0.01 -0.04 2.28 2.32 1bd0A1 PRO 238 HB3 -0.03 0.07 0.15 -0.04 2.02 2.17 1bd0A1 PRO 238 HG2 -0.24 -0.08 0.09 -0.04 2.03 1.76 1bd0A1 PRO 238 HG3 -0.08 0.22 0.20 -0.04 2.03 2.33 1bd0A1 PRO 238 HD2 -0.25 -0.09 0.20 -0.04 3.68 3.50 1bd0A1 PRO 238 HD3 -0.16 0.35 0.21 -0.04 3.65 4.02 1bd0A1 TYR 239 H -0.39 0.13 -0.12 -0.55 8.29 7.36 1bd0A1 TYR 239 HA -0.01 0.20 0.71 -0.75 4.56 4.71 1bd0A1 TYR 239 HB2 -0.00 0.04 0.04 -0.04 3.06 3.09 1bd0A1 TYR 239 HB3 -0.01 0.06 -0.13 -0.04 2.98 2.86 1bd0A1 TYR 239 HD2 -0.01 0.14 -0.29 -0.04 7.15 6.95 1bd0A1 TYR 239 HE2 -0.00 -0.01 -0.14 -0.04 6.85 6.66 1bd0A1 PRO 240 HA 0.03 0.01 0.48 -0.51 4.44 4.45 1bd0A1 PRO 240 HB2 0.07 0.01 -0.04 -0.04 2.28 2.28 1bd0A1 PRO 240 HB3 0.04 0.00 0.06 -0.04 2.02 2.08 1bd0A1 PRO 240 HG2 0.06 0.01 0.05 -0.04 2.03 2.11 1bd0A1 PRO 240 HG3 0.05 0.05 0.04 -0.04 2.03 2.13 1bd0A1 PRO 240 HD2 0.16 0.09 0.15 -0.04 3.68 4.04 1bd0A1 PRO 240 HD3 0.11 0.19 0.19 -0.04 3.65 4.10 1bd0A1 LEU 241 H 0.02 0.07 0.16 -0.55 8.37 8.07 1bd0A1 LEU 241 HA 0.13 0.15 0.59 -0.75 4.35 4.46 1bd0A1 LEU 241 HB2 0.00 -0.05 0.01 -0.04 1.64 1.56 1bd0A1 LEU 241 HB3 0.02 -0.04 -0.14 -0.04 1.64 1.43 1bd0A1 LEU 241 HG -0.10 0.11 -0.05 -0.04 1.64 1.56 1bd0A1 LEU 241 HD13 -0.05 -0.05 -0.35 -0.04 0.93 0.43 1bd0A1 LEU 241 HD23 0.00 0.04 -0.08 -0.04 0.89 0.81 1bd0A1 LYS 242 H 0.09 0.22 0.10 -0.55 8.42 8.27 1bd0A1 LYS 242 HA 0.05 0.13 0.91 -0.75 4.32 4.66 1bd0A1 LYS 242 HB2 0.07 0.05 0.16 -0.04 1.87 2.11 1bd0A1 LYS 242 HB3 0.06 -0.02 -0.02 -0.04 1.79 1.77 1bd0A1 LYS 242 HG2 0.05 0.00 -0.07 -0.04 1.46 1.40 1bd0A1 LYS 242 HG3 0.07 0.07 -0.32 -0.04 1.46 1.25 1bd0A1 LYS 242 HD2 0.07 0.01 0.01 -0.04 1.69 1.74 1bd0A1 LYS 242 HD3 0.05 -0.06 -0.05 -0.04 1.68 1.58 1bd0A1 LYS 242 HE2 0.05 0.01 -0.08 -0.04 2.99 2.92 1bd0A1 LYS 242 HE3 0.06 0.07 -0.07 -0.04 2.99 3.01 1bd0A1 GLU 243 H 0.05 0.13 0.12 -0.55 8.60 8.35 1bd0A1 GLU 243 HA 0.09 0.16 0.53 -0.75 4.29 4.32 1bd0A1 GLU 243 HB2 0.06 0.00 0.18 -0.04 2.09 2.29 1bd0A1 GLU 243 HB3 0.07 0.00 0.08 -0.04 1.99 2.10 1bd0A1 GLU 243 HG2 0.13 -0.01 0.09 -0.04 2.34 2.50 1bd0A1 GLU 243 HG3 0.08 0.10 0.02 -0.04 2.34 2.49 1bd0A1 ALA 244 H 0.20 0.49 0.30 -0.55 8.40 8.84 1bd0A1 ALA 244 HA 0.13 0.13 0.92 -0.75 4.34 4.77 1bd0A1 ALA 244 HB3 0.23 0.00 0.12 -0.04 1.41 1.72 1bd0A1 PHE 245 H 0.28 0.07 0.01 -0.55 8.34 8.15 1bd0A1 PHE 245 HA -0.00 0.44 1.22 -0.75 4.62 5.52 1bd0A1 PHE 245 HB2 -0.09 -0.00 -0.04 -0.04 3.15 2.98 1bd0A1 PHE 245 HB3 0.01 -0.12 0.10 -0.04 3.06 3.01 1bd0A1 PHE 245 HD2 -0.38 -0.07 -0.24 -0.04 7.28 6.55 1bd0A1 PHE 245 HE2 -0.16 0.08 -0.08 -0.04 7.38 7.17 1bd0A1 PHE 245 HZ -0.12 0.04 0.00 -0.04 7.32 7.20 1bd0A1 SER 246 H -0.53 0.60 0.45 -0.55 8.46 8.43 1bd0A1 SER 246 HA -0.11 0.08 0.67 -0.75 4.49 4.39 1bd0A1 SER 246 HB2 -0.24 0.18 0.25 -0.04 3.95 4.09 1bd0A1 SER 246 HB3 -0.06 -0.03 -0.08 -0.04 3.93 3.72 1bd0A1 LEU 247 H -0.51 0.52 0.40 -0.55 8.37 8.23 1bd0A1 LEU 247 HA -0.61 0.24 1.16 -0.75 4.35 4.39 1bd0A1 LEU 247 HB2 -0.08 0.04 -0.11 -0.04 1.64 1.45 1bd0A1 LEU 247 HB3 -0.21 -0.15 0.11 -0.04 1.64 1.35 1bd0A1 LEU 247 HG -0.37 0.00 -0.20 -0.04 1.64 1.03 1bd0A1 LEU 247 HD13 -0.16 0.05 -0.08 -0.04 0.93 0.70 1bd0A1 LEU 247 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.66 1bd0A1 HIS 248 H -0.80 0.97 0.50 -0.55 8.41 8.53 1bd0A1 HIS 248 HA -0.57 0.06 1.14 -0.75 4.63 4.52 1bd0A1 HIS 248 HB2 -2.46 -0.01 0.00 -0.04 3.26 0.75 1bd0A1 HIS 248 HB3 -0.74 0.13 0.23 -0.04 3.20 2.78 1bd0A1 HIS 248 HD2 -0.78 0.10 -0.19 -0.04 6.97 6.06 1bd0A1 HIS 248 HE1 -0.13 -0.03 -0.04 -0.04 7.75 7.51 1bd0A1 SER 249 H -0.40 0.63 0.43 -0.55 8.46 8.56 1bd0A1 SER 249 HA -0.14 0.32 0.74 -0.75 4.49 4.66 1bd0A1 SER 249 HB2 -0.27 -0.00 -0.22 -0.04 3.95 3.41 1bd0A1 SER 249 HB3 -0.20 -0.08 -0.08 -0.04 3.93 3.53 1bd0A1 ARG 250 H 0.04 0.34 0.31 -0.55 8.46 8.60 1bd0A1 ARG 250 HA 0.05 0.23 0.74 -0.75 4.34 4.60 1bd0A1 ARG 250 HB2 0.14 -0.05 -0.02 -0.04 1.90 1.93 1bd0A1 ARG 250 HB3 0.09 -0.03 -0.11 -0.04 1.80 1.71 1bd0A1 ARG 250 HG2 0.22 0.02 -0.11 -0.04 1.67 1.76 1bd0A1 ARG 250 HG3 0.47 -0.06 -0.46 -0.04 1.67 1.58 1bd0A1 ARG 250 HD2 0.14 -0.08 -0.05 -0.04 3.22 3.19 1bd0A1 ARG 250 HD3 0.10 0.16 0.01 -0.04 3.22 3.45 1bd0A1 LEU 251 H 0.03 0.43 0.12 -0.55 8.37 8.40 1bd0A1 LEU 251 HA 0.02 0.17 0.56 -0.75 4.35 4.35 1bd0A1 LEU 251 HB2 0.02 -0.18 0.21 -0.04 1.64 1.65 1bd0A1 LEU 251 HB3 0.03 0.02 0.00 -0.04 1.64 1.65 1bd0A1 LEU 251 HG -0.00 0.14 -0.00 -0.04 1.64 1.74 1bd0A1 LEU 251 HD13 -0.00 0.03 -0.14 -0.04 0.93 0.78 1bd0A1 LEU 251 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.70 1bd0A1 VAL 252 H 0.05 0.71 0.50 -0.55 8.24 8.95 1bd0A1 VAL 252 HA 0.06 0.16 0.96 -0.75 4.13 4.56 1bd0A1 VAL 252 HB 0.05 -0.03 0.13 -0.04 2.12 2.22 1bd0A1 VAL 252 HG13 0.05 0.04 -0.02 -0.04 0.97 1.00 1bd0A1 VAL 252 HG23 0.05 0.04 -0.10 -0.04 0.95 0.91 1bd0A1 HIS 253 H 0.10 0.22 0.29 -0.55 8.41 8.48 1bd0A1 HIS 253 HA 0.03 0.13 0.52 -0.75 4.63 4.55 1bd0A1 HIS 253 HB2 0.02 0.10 -0.10 -0.04 3.26 3.24 1bd0A1 HIS 253 HB3 0.02 -0.07 0.01 -0.04 3.20 3.12 1bd0A1 HIS 253 HD2 0.04 0.00 0.16 -0.04 6.97 7.12 1bd0A1 HIS 253 HE1 0.01 -0.02 -0.06 -0.04 7.75 7.63 1bd0A1 VAL 254 H -0.15 0.29 0.18 -0.55 8.24 8.01 1bd0A1 VAL 254 HA -0.04 0.31 0.96 -0.75 4.13 4.60 1bd0A1 VAL 254 HB 0.07 -0.05 0.10 -0.04 2.12 2.20 1bd0A1 VAL 254 HG13 0.25 0.04 -0.07 -0.04 0.97 1.15 1bd0A1 VAL 254 HG23 0.03 0.02 -0.29 -0.04 0.95 0.66 1bd0A1 LYS 255 H -0.01 0.59 0.35 -0.55 8.42 8.79 1bd0A1 LYS 255 HA -0.07 0.12 0.69 -0.75 4.32 4.31 1bd0A1 LYS 255 HB2 -0.13 0.02 0.03 -0.04 1.87 1.75 1bd0A1 LYS 255 HB3 -0.29 0.06 -0.16 -0.04 1.79 1.36 1bd0A1 LYS 255 HG2 -0.20 0.01 -0.12 -0.04 1.46 1.11 1bd0A1 LYS 255 HG3 -0.11 -0.04 -0.15 -0.04 1.46 1.11 1bd0A1 LYS 255 HD2 -0.04 0.02 -0.14 -0.04 1.69 1.48 1bd0A1 LYS 255 HD3 0.02 0.00 -0.10 -0.04 1.68 1.57 1bd0A1 LYS 255 HE2 -0.01 -0.01 -0.12 -0.04 2.99 2.81 1bd0A1 LYS 255 HE3 0.03 0.00 -0.08 -0.04 2.99 2.90 1bd0A1 LYS 256 H -0.45 0.19 0.14 -0.55 8.42 7.75 1bd0A1 LYS 256 HA -0.77 0.26 0.98 -0.75 4.32 4.03 1bd0A1 LYS 256 HB2 -2.90 -0.04 -0.05 -0.04 1.87 -1.17 1bd0A1 LYS 256 HB3 -0.87 -0.03 0.13 -0.04 1.79 0.98 1bd0A1 LYS 256 HG2 -0.48 0.04 -0.27 -0.04 1.46 0.71 1bd0A1 LYS 256 HG3 -0.85 0.03 -0.21 -0.04 1.46 0.39 1bd0A1 LYS 256 HD2 -0.27 0.01 -0.13 -0.04 1.69 1.26 1bd0A1 LYS 256 HD3 -0.86 -0.02 -0.10 -0.04 1.68 0.65 1bd0A1 LYS 256 HE2 -0.37 -0.03 -0.03 -0.04 2.99 2.52 1bd0A1 LYS 256 HE3 -0.19 -0.00 -0.06 -0.04 2.99 2.69 1bd0A1 LEU 257 H -0.24 0.69 0.36 -0.55 8.37 8.63 1bd0A1 LEU 257 HA -0.13 0.07 0.66 -0.75 4.35 4.20 1bd0A1 LEU 257 HB2 -0.05 0.02 0.09 -0.04 1.64 1.66 1bd0A1 LEU 257 HB3 -0.04 0.07 0.07 -0.04 1.64 1.70 1bd0A1 LEU 257 HG -0.04 0.01 -0.05 -0.04 1.64 1.52 1bd0A1 LEU 257 HD13 0.05 -0.01 -0.17 -0.04 0.93 0.76 1bd0A1 LEU 257 HD23 -0.05 -0.02 -0.13 -0.04 0.89 0.65 1bd0A1 GLN 258 H -0.07 0.10 0.17 -0.55 8.47 8.12 1bd0A1 GLN 258 HA -0.08 0.13 0.69 -0.75 4.36 4.34 1bd0A1 GLN 258 HB2 -0.05 -0.06 0.07 -0.04 2.15 2.07 1bd0A1 GLN 258 HB3 -0.05 0.12 0.00 -0.04 2.02 2.06 1bd0A1 GLN 258 HG2 -0.08 0.00 -0.06 -0.04 2.40 2.21 1bd0A1 GLN 258 HG3 -0.05 -0.01 0.01 -0.04 2.39 2.30 1bd0A1 GLN 258 HE21 -0.07 -0.02 -0.01 -0.04 6.97 6.82 1bd0A1 GLN 258 HE22 -0.11 0.02 -0.10 -0.04 7.69 7.45 1bd0A1 PRO 259 HA -0.04 0.25 0.20 -0.51 4.44 4.33 1bd0A1 PRO 259 HB2 -0.03 -0.01 0.02 -0.04 2.28 2.22 1bd0A1 PRO 259 HB3 -0.03 0.26 -0.16 -0.04 2.02 2.04 1bd0A1 PRO 259 HG2 -0.03 0.04 0.05 -0.04 2.03 2.06 1bd0A1 PRO 259 HG3 -0.03 -0.11 -0.05 -0.04 2.03 1.79 1bd0A1 PRO 259 HD2 -0.04 0.10 0.14 -0.04 3.68 3.85 1bd0A1 PRO 259 HD3 -0.05 0.08 0.14 -0.04 3.65 3.78 1bd0A1 GLY 260 H -0.05 0.75 0.28 -0.55 8.43 8.85 1bd0A1 GLY 260 HA2 -0.04 -0.03 0.30 -0.51 4.01 3.73 1bd0A1 GLY 260 HA3 -0.03 0.15 0.81 -0.51 4.01 4.43 1bd0A1 GLU 261 H -0.03 0.43 -0.10 -0.55 8.60 8.35 1bd0A1 GLU 261 HA -0.01 0.02 0.49 -0.75 4.29 4.04 1bd0A1 GLU 261 HB2 -0.02 -0.02 0.12 -0.04 2.09 2.13 1bd0A1 GLU 261 HB3 -0.01 0.03 0.07 -0.04 1.99 2.03 1bd0A1 GLU 261 HG2 -0.02 0.02 -0.03 -0.04 2.34 2.27 1bd0A1 GLU 261 HG3 -0.04 0.17 0.06 -0.04 2.34 2.48 1bd0A1 LYS 262 H 0.01 0.07 0.23 -0.55 8.42 8.16 1bd0A1 LYS 262 HA 0.03 0.38 1.06 -0.75 4.32 5.04 1bd0A1 LYS 262 HB2 0.02 -0.13 0.05 -0.04 1.87 1.78 1bd0A1 LYS 262 HB3 0.04 0.06 0.11 -0.04 1.79 1.96 1bd0A1 LYS 262 HG2 -0.00 0.00 0.03 -0.04 1.46 1.45 1bd0A1 LYS 262 HG3 0.01 -0.07 0.04 -0.04 1.46 1.40 1bd0A1 LYS 262 HD2 0.00 0.24 -0.01 -0.04 1.69 1.89 1bd0A1 LYS 262 HD3 -0.03 0.04 -0.16 -0.04 1.68 1.49 1bd0A1 LYS 262 HE2 -0.02 -0.03 -0.06 -0.04 2.99 2.84 1bd0A1 LYS 262 HE3 -0.03 0.05 -0.07 -0.04 2.99 2.90 1bd0A1 VAL 263 H 0.15 0.51 0.19 -0.55 8.24 8.54 1bd0A1 VAL 263 HA 0.04 0.16 1.00 -0.75 4.13 4.57 1bd0A1 VAL 263 HB 0.18 -0.05 -0.12 -0.04 2.12 2.08 1bd0A1 VAL 263 HG13 -0.03 -0.00 -0.19 -0.04 0.97 0.70 1bd0A1 VAL 263 HG23 0.14 0.02 -0.34 -0.04 0.95 0.72 1bd0A1 SER 264 H -0.04 0.12 0.10 -0.55 8.46 8.10 1bd0A1 SER 264 HA -0.19 0.03 0.35 -0.75 4.49 3.92 1bd0A1 SER 264 HB2 -0.03 0.08 -0.18 -0.04 3.95 3.79 1bd0A1 SER 264 HB3 0.02 -0.09 0.22 -0.04 3.93 4.04 1bd0A1 TYR 265 H -0.15 0.15 0.17 -0.55 8.29 7.90 1bd0A1 TYR 265 HA 0.04 0.02 0.43 -0.75 4.56 4.30 1bd0A1 TYR 265 HB2 0.05 0.02 0.14 -0.04 3.06 3.23 1bd0A1 TYR 265 HB3 0.04 0.06 0.03 -0.04 2.98 3.06 1bd0A1 TYR 265 HD2 0.06 0.03 0.03 -0.04 7.15 7.23 1bd0A1 TYR 265 HE2 0.06 -0.02 0.03 -0.04 6.85 6.87 1bd0A1 GLY 266 H 0.19 0.14 0.18 -0.55 8.43 8.40 1bd0A1 GLY 266 HA2 0.08 0.04 0.35 -0.51 4.01 3.97 1bd0A1 GLY 266 HA3 0.09 0.11 0.47 -0.51 4.01 4.17 1bd0A1 ALA 267 H 0.08 0.33 -0.41 -0.55 8.40 7.85 1bd0A1 ALA 267 HA 0.05 0.06 0.13 -0.75 4.34 3.83 1bd0A1 ALA 267 HB3 0.03 0.03 -0.01 -0.04 1.41 1.42 1bd0A1 THR 268 H 0.08 0.19 -0.51 -0.55 8.28 7.50 1bd0A1 THR 268 HA 0.06 0.09 0.28 -0.75 4.39 4.07 1bd0A1 THR 268 HB 0.09 0.09 0.09 -0.04 4.32 4.55 1bd0A1 THR 268 HG23 0.10 -0.02 -0.17 -0.04 1.22 1.09 1bd0A1 TYR 269 H 0.16 0.19 -0.21 -0.55 8.29 7.87 1bd0A1 TYR 269 HA 0.02 0.22 0.98 -0.75 4.56 5.03 1bd0A1 TYR 269 HB2 0.02 -0.06 -0.03 -0.04 3.06 2.95 1bd0A1 TYR 269 HB3 0.01 -0.02 0.02 -0.04 2.98 2.95 1bd0A1 TYR 269 HD2 0.02 -0.02 -0.19 -0.04 7.15 6.91 1bd0A1 TYR 269 HE2 0.01 0.01 -0.15 -0.04 6.85 6.69 1bd0A1 THR 270 H -0.74 0.24 0.12 -0.55 8.28 7.35 1bd0A1 THR 270 HA -0.15 0.34 0.90 -0.75 4.39 4.72 1bd0A1 THR 270 HB -0.20 -0.06 -0.02 -0.04 4.32 4.00 1bd0A1 THR 270 HG23 -0.09 0.04 -0.33 -0.04 1.22 0.80 1bd0A1 ALA 271 H -0.09 0.64 0.11 -0.55 8.40 8.51 1bd0A1 ALA 271 HA -0.09 0.06 0.53 -0.75 4.34 4.09 1bd0A1 ALA 271 HB3 0.02 0.05 0.02 -0.04 1.41 1.46 1bd0A1 GLN 272 H -0.10 0.22 0.13 -0.55 8.47 8.18 1bd0A1 GLN 272 HA -0.06 0.12 0.97 -0.75 4.36 4.63 1bd0A1 GLN 272 HB2 -0.04 -0.01 0.15 -0.04 2.15 2.21 1bd0A1 GLN 272 HB3 -0.08 0.03 -0.01 -0.04 2.02 1.92 1bd0A1 GLN 272 HG2 -0.04 -0.01 0.05 -0.04 2.40 2.35 1bd0A1 GLN 272 HG3 -0.03 -0.01 -0.01 -0.04 2.39 2.30 1bd0A1 GLN 272 HE21 -0.04 0.00 0.03 -0.04 6.97 6.92 1bd0A1 GLN 272 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.64 1bd0A1 THR 273 H -0.02 0.20 -0.24 -0.55 8.28 7.67 1bd0A1 THR 273 HA -0.02 0.13 0.58 -0.75 4.39 4.32 1bd0A1 THR 273 HB 0.00 -0.02 0.10 -0.04 4.32 4.36 1bd0A1 THR 273 HG23 -0.00 0.01 -0.23 -0.04 1.22 0.96 1bd0A1 GLU 274 H -0.02 0.09 0.09 -0.55 8.60 8.21 1bd0A1 GLU 274 HA -0.09 0.33 0.50 -0.75 4.29 4.27 1bd0A1 GLU 274 HB2 -0.04 -0.05 0.18 -0.04 2.09 2.14 1bd0A1 GLU 274 HB3 -0.02 -0.03 0.14 -0.04 1.99 2.04 1bd0A1 GLU 274 HG2 -0.13 -0.03 -0.15 -0.04 2.34 1.99 1bd0A1 GLU 274 HG3 -0.17 0.14 -0.01 -0.04 2.34 2.27 1bd0A1 GLU 275 H -0.14 0.39 0.32 -0.55 8.60 8.62 1bd0A1 GLU 275 HA 0.04 0.13 0.69 -0.75 4.29 4.39 1bd0A1 GLU 275 HB2 0.09 0.05 0.01 -0.04 2.09 2.20 1bd0A1 GLU 275 HB3 0.05 0.08 -0.24 -0.04 1.99 1.83 1bd0A1 GLU 275 HG2 0.00 0.10 0.01 -0.04 2.34 2.40 1bd0A1 GLU 275 HG3 0.04 -0.08 -0.20 -0.04 2.34 2.06 1bd0A1 TRP 276 H 0.33 0.25 0.08 -0.55 7.97 8.09 1bd0A1 TRP 276 HA -0.02 0.22 0.93 -0.75 4.62 5.00 1bd0A1 TRP 276 HB2 -0.01 0.05 -0.11 -0.04 3.23 3.11 1bd0A1 TRP 276 HB3 -0.03 0.00 -0.14 -0.04 3.23 3.02 1bd0A1 TRP 276 HD1 -0.00 0.07 -0.09 -0.04 7.22 7.16 1bd0A1 TRP 276 HE1 -0.01 0.04 -0.07 -0.04 10.20 10.12 1bd0A1 TRP 276 HE3 -0.04 0.02 -0.23 -0.04 7.59 7.29 1bd0A1 TRP 276 HZ2 -0.01 0.02 -0.04 -0.04 7.44 7.37 1bd0A1 TRP 276 HZ3 -0.03 0.04 -0.13 -0.04 7.13 6.96 1bd0A1 TRP 276 HH2 -0.01 0.01 -0.05 -0.04 7.19 7.11 1bd0A1 ILE 277 H 0.03 0.80 0.48 -0.55 8.25 9.01 1bd0A1 ILE 277 HA 0.04 0.26 1.06 -0.75 4.18 4.79 1bd0A1 ILE 277 HB -0.02 -0.05 0.08 -0.04 1.89 1.86 1bd0A1 ILE 277 HG12 0.00 0.01 -0.17 -0.04 1.49 1.29 1bd0A1 ILE 277 HG13 0.03 -0.03 -0.13 -0.04 1.21 1.04 1bd0A1 ILE 277 HG23 -0.02 -0.00 -0.17 -0.04 0.93 0.69 1bd0A1 ILE 277 HD13 0.04 0.03 -0.22 -0.04 0.88 0.69 1bd0A1 GLY 278 H 0.01 0.75 0.40 -0.55 8.43 9.05 1bd0A1 GLY 278 HA2 0.01 0.27 1.13 -0.51 4.01 4.92 1bd0A1 GLY 278 HA3 0.01 0.01 0.35 -0.51 4.01 3.87 1bd0A1 THR 279 H 0.03 0.49 0.38 -0.55 8.28 8.63 1bd0A1 THR 279 HA 0.01 0.29 1.10 -0.75 4.39 5.03 1bd0A1 THR 279 HB 0.10 -0.10 0.13 -0.04 4.32 4.41 1bd0A1 THR 279 HG23 0.03 0.01 -0.12 -0.04 1.22 1.09 1bd0A1 ILE 280 H -0.02 0.61 0.37 -0.55 8.25 8.67 1bd0A1 ILE 280 HA -0.01 0.29 1.09 -0.75 4.18 4.80 1bd0A1 ILE 280 HB -0.10 0.02 -0.05 -0.04 1.89 1.71 1bd0A1 ILE 280 HG12 -0.06 0.07 -0.02 -0.04 1.49 1.45 1bd0A1 ILE 280 HG13 -0.08 -0.09 0.05 -0.04 1.21 1.04 1bd0A1 ILE 280 HG23 -0.06 0.02 -0.34 -0.04 0.93 0.51 1bd0A1 ILE 280 HD13 -0.20 0.00 -0.22 -0.04 0.88 0.42 1bd0A1 PRO 281 HA -0.01 0.16 0.75 -0.51 4.44 4.83 1bd0A1 PRO 281 HB2 0.03 0.01 0.21 -0.04 2.28 2.48 1bd0A1 PRO 281 HB3 0.03 -0.01 0.10 -0.04 2.02 2.10 1bd0A1 PRO 281 HG2 0.05 0.07 -0.07 -0.04 2.03 2.04 1bd0A1 PRO 281 HG3 0.06 -0.03 0.10 -0.04 2.03 2.11 1bd0A1 PRO 281 HD2 -0.02 0.04 0.24 -0.04 3.68 3.90 1bd0A1 PRO 281 HD3 0.02 0.24 0.33 -0.04 3.65 4.21 1bd0A1 ILE 282 H -0.05 0.31 -0.20 -0.55 8.25 7.76 1bd0A1 ILE 282 HA -0.05 0.11 0.59 -0.75 4.18 4.07 1bd0A1 ILE 282 HB -0.18 0.03 -0.29 -0.04 1.89 1.41 1bd0A1 ILE 282 HG12 -0.04 -0.01 -0.14 -0.04 1.49 1.27 1bd0A1 ILE 282 HG13 -0.09 0.04 0.02 -0.04 1.21 1.14 1bd0A1 ILE 282 HG23 -0.37 -0.02 -0.27 -0.04 0.93 0.23 1bd0A1 ILE 282 HD13 -0.32 0.01 -0.17 -0.04 0.88 0.36 1bd0A1 GLY 283 H 0.01 0.16 -0.02 -0.55 8.43 8.04 1bd0A1 GLY 283 HA2 0.16 0.22 0.41 -0.51 4.01 4.29 1bd0A1 GLY 283 HA3 -0.04 -0.05 -0.28 -0.51 4.01 3.13 1bd0A1 TYR 284 H -0.02 0.45 0.05 -0.55 8.29 8.21 1bd0A1 TYR 284 HA 0.10 0.04 -0.06 -0.75 4.56 3.88 1bd0A1 TYR 284 HB2 0.03 -0.05 0.01 -0.04 3.06 3.00 1bd0A1 TYR 284 HB3 0.04 0.03 -0.00 -0.04 2.98 3.01 1bd0A1 TYR 284 HD2 0.05 0.10 -0.29 -0.04 7.15 6.98 1bd0A1 TYR 284 HE2 0.06 0.04 -0.02 -0.04 6.85 6.89 1bd0A1 ALA 285 H -0.22 0.62 -0.06 -0.55 8.40 8.19 1bd0A1 ALA 285 HA 0.11 0.09 0.53 -0.75 4.34 4.32 1bd0A1 ALA 285 HB3 -0.05 0.01 0.08 -0.04 1.41 1.41 1bd0A1 ASP 286 H 0.05 0.34 -0.45 -0.55 8.40 7.79 1bd0A1 ASP 286 HA -0.04 0.12 0.82 -0.75 4.63 4.77 1bd0A1 ASP 286 HB2 0.05 0.08 0.08 -0.04 2.71 2.87 1bd0A1 ASP 286 HB3 -0.01 0.05 0.10 -0.04 2.70 2.79 1bd0A1 GLY 287 H 0.12 0.26 -0.29 -0.55 8.43 7.98 1bd0A1 GLY 287 HA2 0.08 0.05 0.26 -0.51 4.01 3.90 1bd0A1 GLY 287 HA3 0.09 0.25 0.64 -0.51 4.01 4.48 1bd0A1 TRP 288 H 0.28 0.25 -0.25 -0.55 7.97 7.71 1bd0A1 TRP 288 HA 0.00 0.14 0.50 -0.75 4.62 4.51 1bd0A1 TRP 288 HB2 -0.01 0.01 -0.18 -0.04 3.23 3.01 1bd0A1 TRP 288 HB3 0.01 -0.06 -0.25 -0.04 3.23 2.90 1bd0A1 TRP 288 HD1 0.02 -0.05 -0.26 -0.04 7.22 6.88 1bd0A1 TRP 288 HE1 0.01 0.05 -0.20 -0.04 10.20 10.01 1bd0A1 TRP 288 HE3 -0.02 0.01 -0.17 -0.04 7.59 7.37 1bd0A1 TRP 288 HZ2 0.09 0.08 -0.12 -0.04 7.44 7.45 1bd0A1 TRP 288 HZ3 0.00 -0.03 -0.13 -0.04 7.13 6.93 1bd0A1 TRP 288 HH2 0.18 0.11 0.01 -0.04 7.19 7.45 1bd0A1 LEU 289 H -0.09 0.42 -0.30 -0.55 8.37 7.85 1bd0A1 LEU 289 HA 0.06 -0.01 0.27 -0.75 4.35 3.92 1bd0A1 LEU 289 HB2 -0.16 0.01 0.02 -0.04 1.64 1.47 1bd0A1 LEU 289 HB3 -0.08 -0.07 0.05 -0.04 1.64 1.49 1bd0A1 LEU 289 HG -0.05 0.24 -0.02 -0.04 1.64 1.77 1bd0A1 LEU 289 HD13 -0.06 0.01 -0.01 -0.04 0.93 0.82 1bd0A1 LEU 289 HD23 0.03 -0.00 -0.02 -0.04 0.89 0.86 1bd0A1 ARG 290 H -0.05 0.14 0.14 -0.55 8.46 8.13 1bd0A1 ARG 290 HA 0.03 0.09 0.36 -0.75 4.34 4.06 1bd0A1 ARG 290 HB2 -0.14 -0.03 0.10 -0.04 1.90 1.80 1bd0A1 ARG 290 HB3 -0.06 0.03 0.05 -0.04 1.80 1.78 1bd0A1 ARG 290 HG2 0.05 0.22 0.12 -0.04 1.67 2.02 1bd0A1 ARG 290 HG3 -0.33 -0.08 0.08 -0.04 1.67 1.30 1bd0A1 ARG 290 HD2 -0.64 -0.03 0.03 -0.04 3.22 2.54 1bd0A1 ARG 290 HD3 -0.30 -0.01 0.03 -0.04 3.22 2.90 1bd0A1 ARG 291 H -0.11 -0.01 -0.53 -0.55 8.46 7.27 1bd0A1 ARG 291 HA -0.04 0.06 0.38 -0.75 4.34 3.99 1bd0A1 ARG 291 HB2 -0.08 -0.06 0.05 -0.04 1.90 1.77 1bd0A1 ARG 291 HB3 -0.12 0.01 -0.05 -0.04 1.80 1.59 1bd0A1 ARG 291 HG2 -0.06 0.11 -0.03 -0.04 1.67 1.65 1bd0A1 ARG 291 HG3 -0.03 -0.03 0.09 -0.04 1.67 1.66 1bd0A1 ARG 291 HD2 -0.07 -0.11 0.02 -0.04 3.22 3.02 1bd0A1 ARG 291 HD3 -0.09 0.16 0.07 -0.04 3.22 3.31 1bd0A1 LEU 292 H -0.26 0.68 -0.36 -0.55 8.37 7.88 1bd0A1 LEU 292 HA -0.11 0.12 0.51 -0.75 4.35 4.11 1bd0A1 LEU 292 HB2 -0.94 0.17 -0.08 -0.04 1.64 0.74 1bd0A1 LEU 292 HB3 -0.75 -0.03 0.11 -0.04 1.64 0.92 1bd0A1 LEU 292 HG -0.48 -0.06 -0.13 -0.04 1.64 0.93 1bd0A1 LEU 292 HD13 -1.47 -0.02 -0.07 -0.04 0.93 -0.67 1bd0A1 LEU 292 HD23 -0.66 0.01 -0.05 -0.04 0.89 0.15 1bd0A1 GLN 293 H -0.09 0.28 -0.64 -0.55 8.47 7.46 1bd0A1 GLN 293 HA -0.02 0.12 0.44 -0.75 4.36 4.14 1bd0A1 GLN 293 HB2 -0.11 0.15 0.05 -0.04 2.15 2.20 1bd0A1 GLN 293 HB3 -0.07 -0.02 0.13 -0.04 2.02 2.02 1bd0A1 GLN 293 HG2 -0.21 0.08 0.07 -0.04 2.40 2.30 1bd0A1 GLN 293 HG3 -0.74 0.00 -0.17 -0.04 2.39 1.44 1bd0A1 GLN 293 HE21 -0.06 -0.06 -0.08 -0.04 6.97 6.73 1bd0A1 GLN 293 HE22 -0.50 0.03 -0.11 -0.04 7.69 7.07 1bd0A1 HIS 294 H 0.10 0.14 -0.15 -0.55 8.41 7.95 1bd0A1 HIS 294 HA 0.10 0.18 0.70 -0.75 4.63 4.85 1bd0A1 HIS 294 HB2 0.50 0.02 0.04 -0.04 3.26 3.78 1bd0A1 HIS 294 HB3 0.21 -0.02 0.13 -0.04 3.20 3.48 1bd0A1 HIS 294 HD2 0.09 0.03 -0.00 -0.04 6.97 7.04 1bd0A1 HIS 294 HE1 0.03 -0.03 0.00 -0.04 7.75 7.72 1bd0A1 PHE 295 H 0.01 0.09 -0.54 -0.55 8.34 7.34 1bd0A1 PHE 295 HA -0.25 0.07 0.46 -0.75 4.62 4.15 1bd0A1 PHE 295 HB2 -0.61 -0.10 0.05 -0.04 3.15 2.45 1bd0A1 PHE 295 HB3 -0.18 0.17 0.05 -0.04 3.06 3.06 1bd0A1 PHE 295 HD2 -0.18 0.05 0.04 -0.04 7.28 7.14 1bd0A1 PHE 295 HE2 0.03 0.01 0.00 -0.04 7.38 7.39 1bd0A1 PHE 295 HZ -0.07 -0.13 -0.10 -0.04 7.32 6.99 1bd0A1 HIS 296 H -1.61 0.18 0.17 -0.55 8.41 6.59 1bd0A1 HIS 296 HA -0.09 0.11 0.80 -0.75 4.63 4.70 1bd0A1 HIS 296 HB2 -0.16 0.00 -0.24 -0.04 3.26 2.83 1bd0A1 HIS 296 HB3 -0.19 0.05 -0.29 -0.04 3.20 2.72 1bd0A1 HIS 296 HD2 -0.20 0.12 -0.31 -0.04 6.97 6.55 1bd0A1 HIS 296 HE1 -0.21 -0.03 -0.04 -0.04 7.75 7.43 1bd0A1 VAL 297 H 0.02 0.55 0.21 -0.55 8.24 8.48 1bd0A1 VAL 297 HA -0.16 0.22 0.79 -0.75 4.13 4.22 1bd0A1 VAL 297 HB -0.18 -0.04 -0.09 -0.04 2.12 1.76 1bd0A1 VAL 297 HG13 -0.11 0.00 -0.32 -0.04 0.97 0.51 1bd0A1 VAL 297 HG23 -0.06 0.05 -0.28 -0.04 0.95 0.61 1bd0A1 LEU 298 H -0.09 0.54 0.19 -0.55 8.37 8.46 1bd0A1 LEU 298 HA -0.00 0.30 0.89 -0.75 4.35 4.79 1bd0A1 LEU 298 HB2 -0.04 -0.07 0.06 -0.04 1.64 1.55 1bd0A1 LEU 298 HB3 -0.01 -0.06 -0.17 -0.04 1.64 1.35 1bd0A1 LEU 298 HG -0.02 0.09 -0.24 -0.04 1.64 1.43 1bd0A1 LEU 298 HD13 0.00 -0.03 -0.37 -0.04 0.93 0.49 1bd0A1 LEU 298 HD23 0.06 0.03 -0.39 -0.04 0.89 0.55 1bd0A1 VAL 299 H -0.02 1.12 0.28 -0.55 8.24 9.08 1bd0A1 VAL 299 HA -0.03 0.24 0.92 -0.75 4.13 4.51 1bd0A1 VAL 299 HB -0.02 0.01 -0.06 -0.04 2.12 2.00 1bd0A1 VAL 299 HG13 -0.03 0.00 -0.09 -0.04 0.97 0.82 1bd0A1 VAL 299 HG23 -0.03 0.03 -0.31 -0.04 0.95 0.60 1bd0A1 ASP 300 H -0.02 0.29 0.12 -0.55 8.40 8.25 1bd0A1 ASP 300 HA -0.02 0.03 0.32 -0.75 4.63 4.21 1bd0A1 ASP 300 HB2 -0.03 -0.03 -0.25 -0.04 2.71 2.35 1bd0A1 ASP 300 HB3 -0.03 0.13 0.18 -0.04 2.70 2.93 1bd0A1 GLY 301 H -0.01 0.05 -0.37 -0.55 8.43 7.56 1bd0A1 GLY 301 HA2 -0.01 0.01 0.12 -0.51 4.01 3.63 1bd0A1 GLY 301 HA3 -0.01 0.03 0.29 -0.51 4.01 3.81 1bd0A1 GLN 302 H -0.02 0.48 -0.65 -0.55 8.47 7.74 1bd0A1 GLN 302 HA -0.02 0.12 0.87 -0.75 4.36 4.58 1bd0A1 GLN 302 HB2 -0.02 0.05 -0.07 -0.04 2.15 2.06 1bd0A1 GLN 302 HB3 -0.02 -0.03 0.04 -0.04 2.02 1.96 1bd0A1 GLN 302 HG2 -0.02 0.09 -0.32 -0.04 2.40 2.11 1bd0A1 GLN 302 HG3 -0.03 0.14 0.06 -0.04 2.39 2.53 1bd0A1 GLN 302 HE21 -0.03 -0.09 0.00 -0.04 6.97 6.82 1bd0A1 GLN 302 HE22 -0.02 0.35 0.11 -0.04 7.69 8.08 1bd0A1 LYS 303 H -0.05 0.12 0.14 -0.55 8.42 8.08 1bd0A1 LYS 303 HA 0.00 0.27 0.82 -0.75 4.32 4.66 1bd0A1 LYS 303 HB2 -0.18 -0.00 0.08 -0.04 1.87 1.72 1bd0A1 LYS 303 HB3 -0.31 0.03 -0.02 -0.04 1.79 1.45 1bd0A1 LYS 303 HG2 -0.06 -0.04 -0.09 -0.04 1.46 1.22 1bd0A1 LYS 303 HG3 -0.11 -0.00 0.07 -0.04 1.46 1.37 1bd0A1 LYS 303 HD2 -0.28 0.01 -0.10 -0.04 1.69 1.29 1bd0A1 LYS 303 HD3 -0.12 -0.02 -0.03 -0.04 1.68 1.47 1bd0A1 LYS 303 HE2 -0.31 0.00 -0.01 -0.04 2.99 2.63 1bd0A1 LYS 303 HE3 -1.07 0.02 -0.06 -0.04 2.99 1.83 1bd0A1 ALA 304 H 0.01 0.61 0.27 -0.55 8.40 8.75 1bd0A1 ALA 304 HA -0.01 0.26 0.90 -0.75 4.34 4.74 1bd0A1 ALA 304 HB3 -0.01 0.01 -0.10 -0.04 1.41 1.27 1bd0A1 PRO 305 HA 0.05 0.07 0.59 -0.51 4.44 4.64 1bd0A1 PRO 305 HB2 0.03 0.19 -0.02 -0.04 2.28 2.44 1bd0A1 PRO 305 HB3 0.03 0.00 0.07 -0.04 2.02 2.08 1bd0A1 PRO 305 HG2 0.01 -0.08 0.08 -0.04 2.03 2.00 1bd0A1 PRO 305 HG3 0.03 0.02 0.06 -0.04 2.03 2.09 1bd0A1 PRO 305 HD2 0.01 0.25 0.26 -0.04 3.68 4.16 1bd0A1 PRO 305 HD3 -0.01 0.14 0.11 -0.04 3.65 3.84 1bd0A1 ILE 306 H 0.05 0.59 0.27 -0.55 8.25 8.62 1bd0A1 ILE 306 HA 0.02 0.05 0.58 -0.75 4.18 4.08 1bd0A1 ILE 306 HB 0.09 0.16 0.04 -0.04 1.89 2.13 1bd0A1 ILE 306 HG12 0.29 -0.08 -0.13 -0.04 1.49 1.53 1bd0A1 ILE 306 HG13 0.14 -0.07 -0.15 -0.04 1.21 1.09 1bd0A1 ILE 306 HG23 0.06 -0.02 -0.18 -0.04 0.93 0.75 1bd0A1 ILE 306 HD13 0.46 0.03 -0.30 -0.04 0.88 1.03 1bd0A1 VAL 307 H -0.09 0.75 0.27 -0.55 8.24 8.62 1bd0A1 VAL 307 HA -0.32 0.17 0.92 -0.75 4.13 4.14 1bd0A1 VAL 307 HB -0.29 -0.06 -0.24 -0.04 2.12 1.49 1bd0A1 VAL 307 HG13 -0.82 -0.05 -0.31 -0.04 0.97 -0.25 1bd0A1 VAL 307 HG23 -0.67 0.02 -0.18 -0.04 0.95 0.08 1bd0A1 GLY 308 H -0.13 0.13 0.05 -0.55 8.43 7.93 1bd0A1 GLY 308 HA2 0.07 -0.00 0.23 -0.51 4.01 3.80 1bd0A1 GLY 308 HA3 -0.01 0.05 0.35 -0.51 4.01 3.90 1bd0A1 ARG 309 H 0.05 0.06 0.13 -0.55 8.46 8.15 1bd0A1 ARG 309 HA 0.04 0.13 0.57 -0.75 4.34 4.32 1bd0A1 ARG 309 HB2 0.16 -0.20 0.15 -0.04 1.90 1.97 1bd0A1 ARG 309 HB3 0.15 0.07 0.04 -0.04 1.80 2.02 1bd0A1 ARG 309 HG2 0.08 -0.03 0.02 -0.04 1.67 1.70 1bd0A1 ARG 309 HG3 0.14 0.08 0.05 -0.04 1.67 1.90 1bd0A1 ARG 309 HD2 0.07 -0.04 0.02 -0.04 3.22 3.23 1bd0A1 ARG 309 HD3 0.04 0.05 0.02 -0.04 3.22 3.28 1bd0A1 ILE 310 H 0.08 0.14 0.20 -0.55 8.25 8.13 1bd0A1 ILE 310 HA 0.13 0.09 0.64 -0.75 4.18 4.29 1bd0A1 ILE 310 HB 0.15 -0.15 0.11 -0.04 1.89 1.96 1bd0A1 ILE 310 HG12 0.19 0.03 -0.10 -0.04 1.49 1.57 1bd0A1 ILE 310 HG13 0.06 0.01 -0.01 -0.04 1.21 1.23 1bd0A1 ILE 310 HG23 0.29 0.08 -0.15 -0.04 0.93 1.11 1bd0A1 ILE 310 HD13 -0.04 0.04 -0.42 -0.04 0.88 0.42 1bd0A1 CYS 311 H 0.12 0.61 0.45 -0.55 8.50 9.13 1bd0A1 CYS 311 HA 0.32 0.14 0.79 -0.75 4.58 5.07 1bd0A1 CYS 311 HB2 0.03 0.21 0.22 -0.04 2.97 3.39 1bd0A1 CYS 311 HB3 0.09 -0.18 0.20 -0.04 2.97 3.04 1bd0A1 MET 312 H -0.12 0.18 0.18 -0.55 8.47 8.17 1bd0A1 MET 312 HA -1.83 -0.02 0.43 -0.75 4.52 2.35 1bd0A1 MET 312 HB2 -0.30 0.04 0.15 -0.04 2.15 2.00 1bd0A1 MET 312 HB3 -0.18 0.02 0.09 -0.04 2.03 1.93 1bd0A1 MET 312 HG2 -0.21 0.01 -0.10 -0.04 2.63 2.29 1bd0A1 MET 312 HG3 -0.38 -0.01 0.05 -0.04 2.56 2.18 1bd0A1 MET 312 HE3 0.14 0.00 0.02 -0.04 2.10 2.22 1bd0A1 ASP 313 H -0.10 0.03 -0.14 -0.55 8.40 7.64 1bd0A1 ASP 313 HA -0.08 0.15 0.78 -0.75 4.63 4.74 1bd0A1 ASP 313 HB2 -0.02 0.04 -0.14 -0.04 2.71 2.55 1bd0A1 ASP 313 HB3 -0.03 0.09 -0.01 -0.04 2.70 2.71 1bd0A1 GLN 314 H -0.03 -0.06 -0.16 -0.55 8.47 7.67 1bd0A1 GLN 314 HA -0.01 0.23 0.74 -0.75 4.36 4.56 1bd0A1 GLN 314 HB2 -0.00 -0.09 -0.08 -0.04 2.15 1.93 1bd0A1 GLN 314 HB3 -0.00 0.17 0.14 -0.04 2.02 2.29 1bd0A1 GLN 314 HG2 -0.00 0.16 -0.28 -0.04 2.40 2.24 1bd0A1 GLN 314 HG3 -0.01 -0.28 -0.49 -0.04 2.39 1.57 1bd0A1 GLN 314 HE21 0.01 -0.01 -0.09 -0.04 6.97 6.84 1bd0A1 GLN 314 HE22 0.01 0.07 -0.12 -0.04 7.69 7.62 1bd0A1 CYS 315 H -0.00 0.46 0.40 -0.55 8.50 8.80 1bd0A1 CYS 315 HA 0.04 0.04 0.64 -0.75 4.58 4.54 1bd0A1 CYS 315 HB2 0.10 0.10 0.10 -0.04 2.97 3.22 1bd0A1 CYS 315 HB3 0.15 -0.03 0.05 -0.04 2.97 3.10 1bd0A1 MET 316 H -0.00 0.29 0.20 -0.55 8.47 8.41 1bd0A1 MET 316 HA -0.02 0.33 1.18 -0.75 4.52 5.25 1bd0A1 MET 316 HB2 -0.06 0.10 0.09 -0.04 2.15 2.24 1bd0A1 MET 316 HB3 -0.05 0.02 0.02 -0.04 2.03 1.97 1bd0A1 MET 316 HG2 -0.02 -0.05 -0.09 -0.04 2.63 2.43 1bd0A1 MET 316 HG3 -0.00 0.06 -0.12 -0.04 2.56 2.46 1bd0A1 MET 316 HE3 -0.05 0.02 -0.01 -0.04 2.10 2.02 1bd0A1 ILE 317 H -0.03 0.56 0.37 -0.55 8.25 8.60 1bd0A1 ILE 317 HA -0.06 0.25 0.92 -0.75 4.18 4.54 1bd0A1 ILE 317 HB -0.02 0.14 -0.27 -0.04 1.89 1.70 1bd0A1 ILE 317 HG12 -0.02 0.00 -0.06 -0.04 1.49 1.38 1bd0A1 ILE 317 HG13 -0.01 -0.05 -0.29 -0.04 1.21 0.82 1bd0A1 ILE 317 HG23 -0.02 -0.03 -0.41 -0.04 0.93 0.43 1bd0A1 ILE 317 HD13 -0.04 -0.01 -0.26 -0.04 0.88 0.54 1bd0A1 ARG 318 H -0.04 0.56 0.10 -0.55 8.46 8.53 1bd0A1 ARG 318 HA 0.02 0.07 0.73 -0.75 4.34 4.42 1bd0A1 ARG 318 HB2 -0.01 -0.05 0.05 -0.04 1.90 1.85 1bd0A1 ARG 318 HB3 0.03 0.01 0.14 -0.04 1.80 1.93 1bd0A1 ARG 318 HG2 0.09 0.22 -0.03 -0.04 1.67 1.91 1bd0A1 ARG 318 HG3 0.11 -0.10 -0.04 -0.04 1.67 1.60 1bd0A1 ARG 318 HD2 0.10 -0.07 -0.04 -0.04 3.22 3.18 1bd0A1 ARG 318 HD3 0.08 -0.03 -0.02 -0.04 3.22 3.21 1bd0A1 LEU 319 H 0.09 0.62 0.36 -0.55 8.37 8.89 1bd0A1 LEU 319 HA 0.02 0.09 0.50 -0.75 4.35 4.21 1bd0A1 LEU 319 HB2 0.16 -0.05 -0.02 -0.04 1.64 1.69 1bd0A1 LEU 319 HB3 0.02 0.08 0.07 -0.04 1.64 1.77 1bd0A1 LEU 319 HG 0.07 -0.01 -0.17 -0.04 1.64 1.49 1bd0A1 LEU 319 HD13 0.08 -0.03 -0.13 -0.04 0.93 0.81 1bd0A1 LEU 319 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.70 1bd0A1 PRO 320 HA 0.03 0.09 0.49 -0.51 4.44 4.54 1bd0A1 PRO 320 HB2 -0.02 -0.01 -0.00 -0.04 2.28 2.21 1bd0A1 PRO 320 HB3 -0.01 0.06 0.08 -0.04 2.02 2.10 1bd0A1 PRO 320 HG2 -0.04 0.02 -0.03 -0.04 2.03 1.93 1bd0A1 PRO 320 HG3 -0.02 0.07 -0.01 -0.04 2.03 2.02 1bd0A1 PRO 320 HD2 -0.02 0.06 0.15 -0.04 3.68 3.84 1bd0A1 PRO 320 HD3 -0.01 0.19 0.10 -0.04 3.65 3.89 1bd0A1 GLY 321 H -0.04 0.27 -0.20 -0.55 8.43 7.91 1bd0A1 GLY 321 HA2 -0.04 0.06 0.29 -0.51 4.01 3.81 1bd0A1 GLY 321 HA3 -0.15 0.08 0.27 -0.51 4.01 3.70 1bd0A1 PRO 322 HA -1.12 -0.02 0.41 -0.51 4.44 3.20 1bd0A1 PRO 322 HB2 -0.99 0.04 -0.06 -0.04 2.28 1.23 1bd0A1 PRO 322 HB3 -3.56 -0.00 0.03 -0.04 2.02 -1.55 1bd0A1 PRO 322 HG2 -0.52 0.04 0.08 -0.04 2.03 1.60 1bd0A1 PRO 322 HG3 -0.64 0.03 0.05 -0.04 2.03 1.43 1bd0A1 PRO 322 HD2 -0.40 0.13 0.17 -0.04 3.68 3.54 1bd0A1 PRO 322 HD3 -1.03 0.11 0.11 -0.04 3.65 2.80 1bd0A1 LEU 323 H -0.24 0.16 0.19 -0.55 8.37 7.93 1bd0A1 LEU 323 HA -0.16 0.20 0.80 -0.75 4.35 4.43 1bd0A1 LEU 323 HB2 -0.06 -0.06 -0.02 -0.04 1.64 1.45 1bd0A1 LEU 323 HB3 -0.07 0.03 0.04 -0.04 1.64 1.61 1bd0A1 LEU 323 HG -0.14 0.14 -0.47 -0.04 1.64 1.13 1bd0A1 LEU 323 HD13 -0.04 -0.02 -0.10 -0.04 0.93 0.73 1bd0A1 LEU 323 HD23 -0.09 0.02 -0.06 -0.04 0.89 0.72 1bd0A1 PRO 324 HA -0.02 0.07 0.66 -0.51 4.44 4.64 1bd0A1 PRO 324 HB2 -0.01 0.16 -0.03 -0.04 2.28 2.36 1bd0A1 PRO 324 HB3 -0.03 0.01 0.04 -0.04 2.02 1.99 1bd0A1 PRO 324 HG2 -0.02 0.01 0.01 -0.04 2.03 1.99 1bd0A1 PRO 324 HG3 -0.04 0.05 0.04 -0.04 2.03 2.04 1bd0A1 PRO 324 HD2 -0.05 0.06 0.18 -0.04 3.68 3.82 1bd0A1 PRO 324 HD3 -0.08 0.17 0.17 -0.04 3.65 3.86 1bd0A1 VAL 325 H 0.02 0.09 0.12 -0.55 8.24 7.93 1bd0A1 VAL 325 HA 0.04 -0.02 0.25 -0.75 4.13 3.64 1bd0A1 VAL 325 HB 0.04 -0.03 0.08 -0.04 2.12 2.18 1bd0A1 VAL 325 HG13 0.05 0.03 -0.13 -0.04 0.97 0.87 1bd0A1 VAL 325 HG23 0.09 -0.02 -0.11 -0.04 0.95 0.87 1bd0A1 GLY 326 H 0.04 0.51 0.32 -0.55 8.43 8.76 1bd0A1 GLY 326 HA2 0.05 0.01 0.34 -0.51 4.01 3.90 1bd0A1 GLY 326 HA3 0.03 0.14 0.75 -0.51 4.01 4.42 1bd0A1 THR 327 H 0.01 0.38 -0.04 -0.55 8.28 8.08 1bd0A1 THR 327 HA 0.01 0.01 0.45 -0.75 4.39 4.11 1bd0A1 THR 327 HB -0.00 -0.09 0.09 -0.04 4.32 4.27 1bd0A1 THR 327 HG23 -0.01 0.04 -0.05 -0.04 1.22 1.16 1bd0A1 LYS 328 H 0.04 0.06 0.25 -0.55 8.42 8.21 1bd0A1 LYS 328 HA 0.08 0.21 0.63 -0.75 4.32 4.49 1bd0A1 LYS 328 HB2 0.09 0.00 0.19 -0.04 1.87 2.10 1bd0A1 LYS 328 HB3 0.04 -0.10 0.06 -0.04 1.79 1.75 1bd0A1 LYS 328 HG2 0.03 0.14 0.15 -0.04 1.46 1.74 1bd0A1 LYS 328 HG3 0.27 0.00 0.07 -0.04 1.46 1.76 1bd0A1 LYS 328 HD2 0.04 -0.07 -0.07 -0.04 1.69 1.55 1bd0A1 LYS 328 HD3 0.03 0.01 -0.15 -0.04 1.68 1.53 1bd0A1 LYS 328 HE2 0.26 0.02 -0.03 -0.04 2.99 3.19 1bd0A1 LYS 328 HE3 0.13 -0.01 -0.02 -0.04 2.99 3.05 1bd0A1 VAL 329 H -0.05 0.79 0.38 -0.55 8.24 8.81 1bd0A1 VAL 329 HA -0.06 0.32 0.94 -0.75 4.13 4.57 1bd0A1 VAL 329 HB -0.14 -0.10 -0.20 -0.04 2.12 1.64 1bd0A1 VAL 329 HG13 -0.18 -0.01 -0.31 -0.04 0.97 0.44 1bd0A1 VAL 329 HG23 -0.05 0.02 -0.28 -0.04 0.95 0.60 1bd0A1 THR 330 H -0.10 0.59 0.22 -0.55 8.28 8.45 1bd0A1 THR 330 HA -0.22 0.23 1.08 -0.75 4.39 4.72 1bd0A1 THR 330 HB -0.05 -0.06 -0.07 -0.04 4.32 4.10 1bd0A1 THR 330 HG23 -0.13 0.01 -0.53 -0.04 1.22 0.53 1bd0A1 LEU 331 H -0.40 0.54 0.22 -0.55 8.37 8.18 1bd0A1 LEU 331 HA -0.31 0.09 0.63 -0.75 4.35 4.00 1bd0A1 LEU 331 HB2 -0.47 0.03 -0.02 -0.04 1.64 1.14 1bd0A1 LEU 331 HB3 -0.88 0.00 -0.07 -0.04 1.64 0.66 1bd0A1 LEU 331 HG -0.96 0.01 -0.19 -0.04 1.64 0.46 1bd0A1 LEU 331 HD13 -1.26 -0.00 -0.19 -0.04 0.93 -0.56 1bd0A1 LEU 331 HD23 -0.46 -0.03 -0.35 -0.04 0.89 0.01 1bd0A1 ILE 332 H -0.29 0.42 0.20 -0.55 8.25 8.02 1bd0A1 ILE 332 HA 0.02 0.18 0.70 -0.75 4.18 4.33 1bd0A1 ILE 332 HB -0.03 -0.16 0.15 -0.04 1.89 1.80 1bd0A1 ILE 332 HG12 0.17 0.03 -0.15 -0.04 1.49 1.50 1bd0A1 ILE 332 HG13 0.14 -0.03 -0.59 -0.04 1.21 0.69 1bd0A1 ILE 332 HG23 0.09 0.00 -0.11 -0.04 0.93 0.88 1bd0A1 ILE 332 HD13 0.20 -0.00 -0.14 -0.04 0.88 0.90 1bd0A1 GLY 333 H -0.01 0.58 0.35 -0.55 8.43 8.81 1bd0A1 GLY 333 HA2 -0.01 0.04 0.36 -0.51 4.01 3.89 1bd0A1 GLY 333 HA3 -0.06 0.16 0.84 -0.51 4.01 4.45 1bd0A1 ARG 334 H 0.01 0.20 0.16 -0.55 8.46 8.28 1bd0A1 ARG 334 HA 0.01 0.22 1.16 -0.75 4.34 4.98 1bd0A1 ARG 334 HB2 0.01 -0.04 -0.06 -0.04 1.90 1.77 1bd0A1 ARG 334 HB3 0.01 -0.05 0.07 -0.04 1.80 1.78 1bd0A1 ARG 334 HG2 0.01 -0.13 -0.36 -0.04 1.67 1.14 1bd0A1 ARG 334 HG3 0.01 0.24 -0.21 -0.04 1.67 1.67 1bd0A1 ARG 334 HD2 0.01 -0.07 -0.08 -0.04 3.22 3.04 1bd0A1 ARG 334 HD3 0.01 0.01 -0.07 -0.04 3.22 3.12 1bd0A1 GLN 335 H 0.01 0.78 0.06 -0.55 8.47 8.78 1bd0A1 GLN 335 HA 0.00 0.13 0.78 -0.75 4.36 4.52 1bd0A1 GLN 335 HB2 -0.00 0.02 -0.11 -0.04 2.15 2.01 1bd0A1 GLN 335 HB3 -0.01 -0.15 -0.01 -0.04 2.02 1.82 1bd0A1 GLN 335 HG2 0.00 0.06 -0.01 -0.04 2.40 2.42 1bd0A1 GLN 335 HG3 0.00 0.05 -0.31 -0.04 2.39 2.09 1bd0A1 GLN 335 HE21 -0.02 0.30 -0.20 -0.04 6.97 7.01 1bd0A1 GLN 335 HE22 0.00 0.02 -0.29 -0.04 7.69 7.39 1bd0A1 GLY 336 H 0.00 0.18 0.03 -0.55 8.43 8.09 1bd0A1 GLY 336 HA2 -0.00 0.05 0.35 -0.51 4.01 3.89 1bd0A1 GLY 336 HA3 -0.00 0.07 0.53 -0.51 4.01 4.10 1bd0A1 ASP 337 H -0.00 0.26 0.29 -0.55 8.40 8.39 1bd0A1 ASP 337 HA 0.00 0.16 0.75 -0.75 4.63 4.79 1bd0A1 ASP 337 HB2 -0.00 0.00 0.14 -0.04 2.71 2.81 1bd0A1 ASP 337 HB3 -0.00 0.01 0.15 -0.04 2.70 2.81 1bd0A1 GLU 338 H 0.00 0.37 -0.27 -0.55 8.60 8.15 1bd0A1 GLU 338 HA 0.01 0.18 0.91 -0.75 4.29 4.63 1bd0A1 GLU 338 HB2 0.00 0.10 0.03 -0.04 2.09 2.18 1bd0A1 GLU 338 HB3 0.01 -0.04 -0.10 -0.04 1.99 1.82 1bd0A1 GLU 338 HG2 -0.01 0.03 -0.02 -0.04 2.34 2.30 1bd0A1 GLU 338 HG3 -0.01 -0.06 -0.08 -0.04 2.34 2.15 1bd0A1 VAL 339 H 0.04 0.29 0.13 -0.55 8.24 8.14 1bd0A1 VAL 339 HA 0.02 0.23 0.77 -0.75 4.13 4.40 1bd0A1 VAL 339 HB 0.02 0.06 -0.22 -0.04 2.12 1.94 1bd0A1 VAL 339 HG13 0.03 -0.00 -0.11 -0.04 0.97 0.85 1bd0A1 VAL 339 HG23 0.03 -0.03 -0.32 -0.04 0.95 0.59 1bd0A1 ILE 340 H 0.03 0.82 0.27 -0.55 8.25 8.82 1bd0A1 ILE 340 HA 0.11 0.13 0.92 -0.75 4.18 4.58 1bd0A1 ILE 340 HB 0.03 -0.09 0.04 -0.04 1.89 1.82 1bd0A1 ILE 340 HG12 0.05 0.02 -0.12 -0.04 1.49 1.40 1bd0A1 ILE 340 HG13 0.03 -0.09 -0.35 -0.04 1.21 0.76 1bd0A1 ILE 340 HG23 0.22 0.04 -0.01 -0.04 0.93 1.15 1bd0A1 ILE 340 HD13 -0.23 0.03 -0.14 -0.04 0.88 0.50 1bd0A1 SER 341 H 0.10 0.14 0.15 -0.55 8.46 8.30 1bd0A1 SER 341 HA 0.06 0.28 0.90 -0.75 4.49 4.98 1bd0A1 SER 341 HB2 0.04 -0.01 0.18 -0.04 3.95 4.12 1bd0A1 SER 341 HB3 0.05 0.15 0.02 -0.04 3.93 4.11 1bd0A1 ILE 342 H 0.05 0.26 0.20 -0.55 8.25 8.21 1bd0A1 ILE 342 HA 0.03 0.16 0.48 -0.75 4.18 4.10 1bd0A1 ILE 342 HB 0.01 -0.02 0.16 -0.04 1.89 2.00 1bd0A1 ILE 342 HG12 -0.03 0.04 0.01 -0.04 1.49 1.47 1bd0A1 ILE 342 HG13 0.07 0.03 0.05 -0.04 1.21 1.32 1bd0A1 ILE 342 HG23 -0.05 0.00 -0.06 -0.04 0.93 0.79 1bd0A1 ILE 342 HD13 -0.08 0.03 0.01 -0.04 0.88 0.80 1bd0A1 ASP 343 H 0.02 0.10 -0.12 -0.55 8.40 7.85 1bd0A1 ASP 343 HA -0.01 0.04 0.40 -0.75 4.63 4.32 1bd0A1 ASP 343 HB2 0.02 -0.00 0.07 -0.04 2.71 2.76 1bd0A1 ASP 343 HB3 0.01 0.08 0.00 -0.04 2.70 2.76 1bd0A1 ASP 344 H 0.05 0.07 -0.36 -0.55 8.40 7.61 1bd0A1 ASP 344 HA 0.06 0.09 0.43 -0.75 4.63 4.45 1bd0A1 ASP 344 HB2 0.16 0.19 0.21 -0.04 2.71 3.23 1bd0A1 ASP 344 HB3 0.31 0.09 0.01 -0.04 2.70 3.08 1bd0A1 VAL 345 H -0.00 0.35 -0.12 -0.55 8.24 7.92 1bd0A1 VAL 345 HA -0.59 0.09 0.40 -0.75 4.13 3.27 1bd0A1 VAL 345 HB -0.05 0.04 0.16 -0.04 2.12 2.23 1bd0A1 VAL 345 HG13 -0.21 0.00 -0.14 -0.04 0.97 0.58 1bd0A1 VAL 345 HG23 0.15 0.05 0.01 -0.04 0.95 1.12 1bd0A1 ALA 346 H -0.07 0.63 -0.12 -0.55 8.40 8.29 1bd0A1 ALA 346 HA -0.09 -0.00 0.18 -0.75 4.34 3.67 1bd0A1 ALA 346 HB3 -0.04 0.02 -0.23 -0.04 1.41 1.13 1bd0A1 ARG 347 H -0.06 0.46 -0.32 -0.55 8.46 7.99 1bd0A1 ARG 347 HA -0.05 0.03 0.42 -0.75 4.34 3.99 1bd0A1 ARG 347 HB2 -0.01 0.04 0.16 -0.04 1.90 2.05 1bd0A1 ARG 347 HB3 -0.00 0.12 0.11 -0.04 1.80 1.98 1bd0A1 ARG 347 HG2 -0.03 0.01 0.04 -0.04 1.67 1.65 1bd0A1 ARG 347 HG3 -0.01 -0.06 0.06 -0.04 1.67 1.62 1bd0A1 ARG 347 HD2 0.04 0.04 -0.05 -0.04 3.22 3.20 1bd0A1 ARG 347 HD3 0.02 -0.03 -0.00 -0.04 3.22 3.16 1bd0A1 HIS 348 H -0.14 0.42 -0.19 -0.55 8.41 7.94 1bd0A1 HIS 348 HA -0.12 0.09 0.58 -0.75 4.63 4.43 1bd0A1 HIS 348 HB2 -0.47 0.02 0.12 -0.04 3.26 2.89 1bd0A1 HIS 348 HB3 -0.64 0.04 0.05 -0.04 3.20 2.60 1bd0A1 HIS 348 HD2 -0.15 0.05 -0.09 -0.04 6.97 6.74 1bd0A1 HIS 348 HE1 0.16 0.05 -0.11 -0.04 7.75 7.81 1bd0A1 LEU 349 H -0.16 0.44 -0.20 -0.55 8.37 7.91 1bd0A1 LEU 349 HA -0.13 0.04 0.45 -0.75 4.35 3.96 1bd0A1 LEU 349 HB2 -0.14 0.03 0.00 -0.04 1.64 1.50 1bd0A1 LEU 349 HB3 -0.12 -0.07 -0.06 -0.04 1.64 1.35 1bd0A1 LEU 349 HG -0.28 0.06 -0.10 -0.04 1.64 1.28 1bd0A1 LEU 349 HD13 -0.16 -0.02 -0.13 -0.04 0.93 0.58 1bd0A1 LEU 349 HD23 -0.19 -0.01 -0.09 -0.04 0.89 0.55 1bd0A1 GLU 350 H -0.12 0.19 -0.57 -0.55 8.60 7.56 1bd0A1 GLU 350 HA -0.08 0.05 0.31 -0.75 4.29 3.82 1bd0A1 GLU 350 HB2 -0.10 0.09 -0.50 -0.04 2.09 1.53 1bd0A1 GLU 350 HB3 -0.07 -0.08 0.32 -0.04 1.99 2.12 1bd0A1 GLU 350 HG2 -0.07 -0.09 0.06 -0.04 2.34 2.20 1bd0A1 GLU 350 HG3 -0.09 0.09 0.05 -0.04 2.34 2.35 1bd0A1 THR 351 H -0.07 0.62 0.04 -0.55 8.28 8.32 1bd0A1 THR 351 HA -0.04 0.17 0.73 -0.75 4.39 4.50 1bd0A1 THR 351 HB -0.04 0.05 0.01 -0.04 4.32 4.30 1bd0A1 THR 351 HG23 -0.04 -0.03 0.08 -0.04 1.22 1.19 1bd0A1 ILE 352 H -0.00 0.13 0.16 -0.55 8.25 7.99 1bd0A1 ILE 352 HA 0.03 0.23 0.81 -0.75 4.18 4.50 1bd0A1 ILE 352 HB 0.20 -0.02 0.12 -0.04 1.89 2.15 1bd0A1 ILE 352 HG12 0.01 0.05 0.12 -0.04 1.49 1.63 1bd0A1 ILE 352 HG13 0.13 -0.26 -0.09 -0.04 1.21 0.95 1bd0A1 ILE 352 HG23 0.03 0.04 -0.04 -0.04 0.93 0.91 1bd0A1 ILE 352 HD13 -0.09 0.03 0.01 -0.04 0.88 0.80 1bd0A1 ASN 353 H 0.04 0.21 0.11 -0.55 8.53 8.35 1bd0A1 ASN 353 HA -0.02 0.11 0.30 -0.75 4.76 4.39 1bd0A1 ASN 353 HB2 -0.07 0.05 -0.07 -0.04 2.88 2.75 1bd0A1 ASN 353 HB3 -0.03 -0.03 -0.03 -0.04 2.79 2.65 1bd0A1 ASN 353 HD21 -0.07 0.57 -0.06 -0.04 7.03 7.43 1bd0A1 ASN 353 HD22 -0.04 -0.12 -0.02 -0.04 7.74 7.52 1bd0A1 TYR 354 H 0.24 0.06 -0.26 -0.55 8.29 7.77 1bd0A1 TYR 354 HA -0.04 0.08 0.29 -0.75 4.56 4.14 1bd0A1 TYR 354 HB2 -0.07 -0.04 0.01 -0.04 3.06 2.92 1bd0A1 TYR 354 HB3 -0.17 0.04 -0.07 -0.04 2.98 2.75 1bd0A1 TYR 354 HD2 -0.07 -0.03 0.02 -0.04 7.15 7.03 1bd0A1 TYR 354 HE2 0.12 0.06 0.08 -0.04 6.85 7.07 1bd0A1 GLU 355 H 0.06 0.19 -0.28 -0.55 8.60 8.02 1bd0A1 GLU 355 HA -0.04 0.05 0.41 -0.75 4.29 3.96 1bd0A1 GLU 355 HB2 -0.03 -0.09 0.07 -0.04 2.09 2.01 1bd0A1 GLU 355 HB3 -0.03 0.09 0.04 -0.04 1.99 2.05 1bd0A1 GLU 355 HG2 -0.04 0.05 -0.12 -0.04 2.34 2.18 1bd0A1 GLU 355 HG3 -0.04 -0.02 0.03 -0.04 2.34 2.27 1bd0A1 VAL 356 H -0.05 0.26 -0.26 -0.55 8.24 7.64 1bd0A1 VAL 356 HA -0.07 0.05 0.32 -0.75 4.13 3.68 1bd0A1 VAL 356 HB -0.10 0.13 0.16 -0.04 2.12 2.27 1bd0A1 VAL 356 HG13 -0.07 -0.00 -0.15 -0.04 0.97 0.70 1bd0A1 VAL 356 HG23 -0.07 0.00 -0.06 -0.04 0.95 0.78 1bd0A1 PRO 357 HA -0.48 0.09 0.52 -0.51 4.44 4.07 1bd0A1 PRO 357 HB2 -0.62 0.25 0.04 -0.04 2.28 1.91 1bd0A1 PRO 357 HB3 -1.27 -0.07 0.07 -0.04 2.02 0.71 1bd0A1 PRO 357 HG2 -0.14 0.14 0.07 -0.04 2.03 2.06 1bd0A1 PRO 357 HG3 -0.18 -0.07 0.05 -0.04 2.03 1.79 1bd0A1 PRO 357 HD2 -0.11 0.22 -0.07 -0.04 3.68 3.67 1bd0A1 PRO 357 HD3 -0.18 0.01 0.14 -0.04 3.65 3.57 1bd0A1 CYS 358 H -0.12 0.20 -0.39 -0.55 8.50 7.65 1bd0A1 CYS 358 HA -0.03 0.04 0.23 -0.75 4.58 4.06 1bd0A1 CYS 358 HB2 -0.06 0.12 0.02 -0.04 2.97 3.01 1bd0A1 CYS 358 HB3 -0.03 -0.09 -0.04 -0.04 2.97 2.76 1bd0A1 THR 359 H -0.05 0.33 -0.41 -0.55 8.28 7.60 1bd0A1 THR 359 HA 0.02 0.01 0.49 -0.75 4.39 4.16 1bd0A1 THR 359 HB -0.01 0.16 0.07 -0.04 4.32 4.50 1bd0A1 THR 359 HG23 0.02 -0.07 0.06 -0.04 1.22 1.19 1bd0A1 ILE 360 H -0.03 0.27 -0.35 -0.55 8.25 7.59 1bd0A1 ILE 360 HA 0.06 0.20 0.63 -0.75 4.18 4.32 1bd0A1 ILE 360 HB 0.07 0.17 0.23 -0.04 1.89 2.33 1bd0A1 ILE 360 HG12 -0.06 0.09 0.14 -0.04 1.49 1.63 1bd0A1 ILE 360 HG13 0.19 -0.10 0.01 -0.04 1.21 1.27 1bd0A1 ILE 360 HG23 0.13 0.00 -0.02 -0.04 0.93 1.00 1bd0A1 ILE 360 HD13 0.14 -0.04 -0.10 -0.04 0.88 0.84 1bd0A1 SER 361 H 0.02 0.19 -0.02 -0.55 8.46 8.11 1bd0A1 SER 361 HA 0.08 0.10 0.27 -0.75 4.49 4.20 1bd0A1 SER 361 HB2 0.05 -0.14 0.17 -0.04 3.95 3.99 1bd0A1 SER 361 HB3 0.03 0.12 0.04 -0.04 3.93 4.08 1bd0A1 TYR 362 H 0.32 0.12 0.15 -0.55 8.29 8.33 1bd0A1 TYR 362 HA 0.05 0.12 0.38 -0.75 4.56 4.36 1bd0A1 TYR 362 HB2 0.05 -0.01 0.04 -0.04 3.06 3.10 1bd0A1 TYR 362 HB3 0.05 -0.00 0.13 -0.04 2.98 3.11 1bd0A1 TYR 362 HD2 0.04 -0.00 -0.10 -0.04 7.15 7.05 1bd0A1 TYR 362 HE2 0.04 0.03 -0.02 -0.04 6.85 6.86 1bd0A1 ARG 363 H -1.02 0.02 -0.47 -0.55 8.46 6.44 1bd0A1 ARG 363 HA -0.36 -0.01 0.36 -0.75 4.34 3.58 1bd0A1 ARG 363 HB2 -0.81 -0.03 0.05 -0.04 1.90 1.07 1bd0A1 ARG 363 HB3 -0.28 0.06 -0.09 -0.04 1.80 1.45 1bd0A1 ARG 363 HG2 -0.12 0.02 -0.01 -0.04 1.67 1.52 1bd0A1 ARG 363 HG3 -0.18 -0.03 0.04 -0.04 1.67 1.47 1bd0A1 ARG 363 HD2 -0.03 -0.03 -0.03 -0.04 3.22 3.09 1bd0A1 ARG 363 HD3 -0.17 0.00 -0.02 -0.04 3.22 3.00 1bd0A1 VAL 364 H -0.14 0.51 -0.31 -0.55 8.24 7.75 1bd0A1 VAL 364 HA -0.09 0.15 0.75 -0.75 4.13 4.18 1bd0A1 VAL 364 HB -0.04 0.12 0.06 -0.04 2.12 2.22 1bd0A1 VAL 364 HG13 -0.09 0.02 -0.14 -0.04 0.97 0.72 1bd0A1 VAL 364 HG23 -0.07 -0.03 -0.01 -0.04 0.95 0.80 1bd0A1 PRO 365 HA -0.06 0.19 0.69 -0.51 4.44 4.75 1bd0A1 PRO 365 HB2 -0.60 -0.02 -0.02 -0.04 2.28 1.60 1bd0A1 PRO 365 HB3 -0.17 -0.03 -0.04 -0.04 2.02 1.75 1bd0A1 PRO 365 HG2 -0.80 0.04 0.17 -0.04 2.03 1.40 1bd0A1 PRO 365 HG3 -0.11 -0.04 0.14 -0.04 2.03 1.99 1bd0A1 PRO 365 HD2 -0.21 0.22 0.41 -0.04 3.68 4.06 1bd0A1 PRO 365 HD3 -0.11 0.28 0.46 -0.04 3.65 4.23 1bd0A1 ARG 366 H -0.04 0.55 0.39 -0.55 8.46 8.81 1bd0A1 ARG 366 HA -0.21 0.27 0.98 -0.75 4.34 4.62 1bd0A1 ARG 366 HB2 -0.04 -0.03 0.19 -0.04 1.90 1.97 1bd0A1 ARG 366 HB3 -0.82 -0.06 -0.04 -0.04 1.80 0.84 1bd0A1 ARG 366 HG2 -0.07 0.03 -0.10 -0.04 1.67 1.49 1bd0A1 ARG 366 HG3 -0.23 -0.03 -0.06 -0.04 1.67 1.31 1bd0A1 ARG 366 HD2 -0.04 0.09 -0.30 -0.04 3.22 2.93 1bd0A1 ARG 366 HD3 0.04 -0.09 -0.04 -0.04 3.22 3.09 1bd0A1 ILE 367 H -0.13 0.72 0.42 -0.55 8.25 8.71 1bd0A1 ILE 367 HA -0.07 0.17 1.06 -0.75 4.18 4.60 1bd0A1 ILE 367 HB 0.19 -0.04 0.21 -0.04 1.89 2.20 1bd0A1 ILE 367 HG12 0.00 0.01 -0.10 -0.04 1.49 1.36 1bd0A1 ILE 367 HG13 0.02 0.08 -0.08 -0.04 1.21 1.19 1bd0A1 ILE 367 HG23 -0.24 -0.00 -0.10 -0.04 0.93 0.55 1bd0A1 ILE 367 HD13 -0.17 -0.01 -0.07 -0.04 0.88 0.59 1bd0A1 PHE 368 H 0.13 0.78 0.43 -0.55 8.34 9.13 1bd0A1 PHE 368 HA 0.15 0.22 1.00 -0.75 4.62 5.23 1bd0A1 PHE 368 HB2 -0.01 -0.05 0.20 -0.04 3.15 3.25 1bd0A1 PHE 368 HB3 0.05 0.00 0.05 -0.04 3.06 3.12 1bd0A1 PHE 368 HD2 0.06 0.05 -0.06 -0.04 7.28 7.30 1bd0A1 PHE 368 HE2 0.09 0.15 0.05 -0.04 7.38 7.63 1bd0A1 PHE 368 HZ 0.08 -0.06 0.00 -0.04 7.32 7.31 1bd0A1 PHE 369 H 0.41 0.59 0.49 -0.55 8.34 9.27 1bd0A1 PHE 369 HA 0.07 0.33 0.96 -0.75 4.62 5.23 1bd0A1 PHE 369 HB2 0.05 -0.09 0.13 -0.04 3.15 3.21 1bd0A1 PHE 369 HB3 0.04 -0.08 -0.18 -0.04 3.06 2.81 1bd0A1 PHE 369 HD2 0.03 0.07 -0.32 -0.04 7.28 7.02 1bd0A1 PHE 369 HE2 0.03 0.04 -0.10 -0.04 7.38 7.30 1bd0A1 PHE 369 HZ 0.02 0.01 -0.10 -0.04 7.32 7.22 1bd0A1 ARG 370 H 0.10 0.90 0.23 -0.55 8.46 9.14 1bd0A1 ARG 370 HA -0.04 -0.04 0.71 -0.75 4.34 4.22 1bd0A1 ARG 370 HB2 -0.01 0.02 -0.16 -0.04 1.90 1.71 1bd0A1 ARG 370 HB3 -0.02 0.10 0.03 -0.04 1.80 1.86 1bd0A1 ARG 370 HG2 -0.19 0.07 -0.05 -0.04 1.67 1.46 1bd0A1 ARG 370 HG3 -0.82 0.01 -0.12 -0.04 1.67 0.71 1bd0A1 ARG 370 HD2 -0.21 -0.16 -0.01 -0.04 3.22 2.80 1bd0A1 ARG 370 HD3 -0.06 0.01 -0.02 -0.04 3.22 3.10 1bd0A1 HIS 371 H -0.16 0.13 0.13 -0.55 8.41 7.96 1bd0A1 HIS 371 HA 0.01 0.06 0.33 -0.75 4.63 4.27 1bd0A1 HIS 371 HB2 0.02 0.25 0.07 -0.04 3.26 3.55 1bd0A1 HIS 371 HB3 0.00 0.03 0.21 -0.04 3.20 3.40 1bd0A1 HIS 371 HD2 -0.06 0.00 0.04 -0.04 6.97 6.91 1bd0A1 HIS 371 HE1 -0.04 0.04 -0.04 -0.04 7.75 7.67 1bd0A1 LYS 372 H 0.11 -0.05 -0.23 -0.55 8.42 7.68 1bd0A1 LYS 372 HA 0.15 -0.05 0.18 -0.75 4.32 3.84 1bd0A1 LYS 372 HB2 0.09 0.25 -0.18 -0.04 1.87 1.98 1bd0A1 LYS 372 HB3 0.08 0.01 0.14 -0.04 1.79 1.98 1bd0A1 LYS 372 HG2 0.04 0.02 -0.02 -0.04 1.46 1.46 1bd0A1 LYS 372 HG3 0.06 -0.10 -0.05 -0.04 1.46 1.33 1bd0A1 LYS 372 HD2 0.07 -0.05 -0.25 -0.04 1.69 1.42 1bd0A1 LYS 372 HD3 0.05 0.06 -0.10 -0.04 1.68 1.64 1bd0A1 LYS 372 HE2 0.03 0.03 -0.04 -0.04 2.99 2.96 1bd0A1 LYS 372 HE3 0.03 -0.03 -0.05 -0.04 2.99 2.90 1bd0A1 ARG 373 H 0.15 0.37 -0.65 -0.55 8.46 7.78 1bd0A1 ARG 373 HA 0.14 0.16 0.93 -0.75 4.34 4.82 1bd0A1 ARG 373 HB2 0.03 -0.03 0.09 -0.04 1.90 1.95 1bd0A1 ARG 373 HB3 0.07 0.04 -0.07 -0.04 1.80 1.79 1bd0A1 ARG 373 HG2 0.09 0.18 0.02 -0.04 1.67 1.92 1bd0A1 ARG 373 HG3 0.02 0.17 -0.27 -0.04 1.67 1.54 1bd0A1 ARG 373 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.18 1bd0A1 ARG 373 HD3 0.05 -0.01 0.00 -0.04 3.22 3.22 1bd0A1 ILE 374 H -0.13 0.12 0.12 -0.55 8.25 7.82 1bd0A1 ILE 374 HA -0.69 0.11 0.53 -0.75 4.18 3.38 1bd0A1 ILE 374 HB -0.19 -0.02 0.13 -0.04 1.89 1.77 1bd0A1 ILE 374 HG12 -1.06 0.02 -0.06 -0.04 1.49 0.34 1bd0A1 ILE 374 HG13 -0.45 -0.05 0.03 -0.04 1.21 0.69 1bd0A1 ILE 374 HG23 -0.19 0.02 -0.21 -0.04 0.93 0.51 1bd0A1 ILE 374 HD13 -0.17 0.01 -0.03 -0.04 0.88 0.65 1bd0A1 MET 375 H -0.12 0.97 0.56 -0.55 8.47 9.34 1bd0A1 MET 375 HA -0.01 0.14 0.77 -0.75 4.52 4.66 1bd0A1 MET 375 HB2 0.02 -0.03 -0.00 -0.04 2.15 2.10 1bd0A1 MET 375 HB3 0.06 -0.03 -0.08 -0.04 2.03 1.94 1bd0A1 MET 375 HG2 -0.01 -0.04 -0.20 -0.04 2.63 2.34 1bd0A1 MET 375 HG3 -0.01 0.03 -0.08 -0.04 2.56 2.46 1bd0A1 MET 375 HE3 0.02 0.01 -0.02 -0.04 2.10 2.07 1bd0A1 GLU 376 H 0.04 0.28 0.33 -0.55 8.60 8.70 1bd0A1 GLU 376 HA 0.02 0.14 0.44 -0.75 4.29 4.13 1bd0A1 GLU 376 HB2 0.04 0.05 0.13 -0.04 2.09 2.27 1bd0A1 GLU 376 HB3 0.00 0.22 -0.07 -0.04 1.99 2.09 1bd0A1 GLU 376 HG2 0.01 -0.12 -0.16 -0.04 2.34 2.03 1bd0A1 GLU 376 HG3 0.23 -0.02 -0.28 -0.04 2.34 2.22 1bd0A1 VAL 377 H 0.07 0.35 0.23 -0.55 8.24 8.34 1bd0A1 VAL 377 HA 0.12 0.21 1.12 -0.75 4.13 4.82 1bd0A1 VAL 377 HB 0.08 0.24 0.12 -0.04 2.12 2.51 1bd0A1 VAL 377 HG13 0.19 -0.04 -0.28 -0.04 0.97 0.80 1bd0A1 VAL 377 HG23 0.02 -0.03 -0.10 -0.04 0.95 0.80 1bd0A1 ARG 378 H 0.15 0.67 0.28 -0.55 8.46 9.01 1bd0A1 ARG 378 HA 0.13 0.18 0.97 -0.75 4.34 4.87 1bd0A1 ARG 378 HB2 0.25 0.02 -0.01 -0.04 1.90 2.12 1bd0A1 ARG 378 HB3 0.46 0.05 0.19 -0.04 1.80 2.46 1bd0A1 ARG 378 HG2 0.22 -0.06 -0.02 -0.04 1.67 1.76 1bd0A1 ARG 378 HG3 0.15 -0.03 -0.23 -0.04 1.67 1.51 1bd0A1 ARG 378 HD2 0.11 0.04 -0.25 -0.04 3.22 3.07 1bd0A1 ARG 378 HD3 0.10 0.03 -0.03 -0.04 3.22 3.28 1bd0A1 ASN 379 H 0.10 0.28 0.03 -0.55 8.53 8.39 1bd0A1 ASN 379 HA 0.05 0.17 0.82 -0.75 4.76 5.05 1bd0A1 ASN 379 HB2 0.12 0.04 -0.11 -0.04 2.88 2.89 1bd0A1 ASN 379 HB3 0.10 -0.03 0.19 -0.04 2.79 3.01 1bd0A1 ASN 379 HD21 0.15 -0.08 0.05 -0.04 7.03 7.10 1bd0A1 ASN 379 HD22 0.16 0.60 0.34 -0.04 7.74 8.80 1bd0A1 ALA 380 H 0.09 0.36 0.02 -0.55 8.40 8.32 1bd0A1 ALA 380 HA 0.11 0.03 0.38 -0.75 4.34 4.11 1bd0A1 ALA 380 HB3 0.18 0.10 0.10 -0.04 1.41 1.74 1bd0A1 ILE 381 H 0.12 0.12 -0.28 -0.55 8.25 7.65 1bd0A1 ILE 381 HA 0.12 0.23 0.86 -0.75 4.18 4.64 1bd0A1 ILE 381 HB 0.13 -0.01 0.17 -0.04 1.89 2.13 1bd0A1 ILE 381 HG12 0.08 0.05 0.01 -0.04 1.49 1.59 1bd0A1 ILE 381 HG13 0.10 0.02 -0.18 -0.04 1.21 1.10 1bd0A1 ILE 381 HG23 0.33 -0.00 -0.13 -0.04 0.93 1.09 1bd0A1 ILE 381 HD13 0.08 -0.01 0.02 -0.04 0.88 0.93 1bd0A1 GLY 382 H 0.09 0.43 -0.48 -0.55 8.43 7.92 1bd0A1 GLY 382 HA2 0.10 0.13 0.48 -0.51 4.01 4.20 1bd0A1 GLY 382 HA3 0.09 0.08 0.21 -0.51 4.01 3.89