============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 16 1.000 47.282 64.263 35.516 -99.200 -91.000 TRP 20 1.040 36.280 65.794 34.388 -99.200 -91.000 TRP6 20 1.020 35.540 68.042 34.473 -99.200 -91.000 HIS 21 0.900 39.804 68.590 38.272 -99.200 -91.000 PHE 27 1.000 32.832 66.717 25.430 -99.200 -91.000 TRP 38 1.040 50.632 72.251 37.491 -99.200 -91.000 TRP6 38 1.020 49.193 70.400 37.188 -99.200 -91.000 TYR 39 0.840 54.330 70.623 30.840 -99.200 -91.000 TYR 58 0.840 45.005 66.369 61.538 -99.200 -91.000 PHE 67 1.000 47.034 70.553 58.902 -99.200 -91.000 TRP 73 1.040 40.459 77.385 66.459 -99.200 -91.000 TRP6 73 1.020 42.083 77.131 68.150 -99.200 -91.000 PHE 75 1.000 37.078 79.489 64.872 -99.200 -91.000 TYR 90 0.840 31.246 63.682 52.356 -99.200 -91.000 HIS 91 0.900 31.465 70.612 50.962 -99.200 -91.000 PHE 107 1.000 46.048 58.280 48.835 -99.200 -91.000 TYR 114 0.840 52.365 70.254 41.326 -99.200 -91.000 TYR 139 0.840 42.972 80.538 63.540 -99.200 -91.000 TYR 147 0.840 40.827 83.284 55.271 -99.200 -91.000 TRP 151 1.040 31.254 77.955 54.068 -99.200 -91.000 TRP6 151 1.020 30.602 80.019 55.030 -99.200 -91.000 HIS 159 0.900 16.367 79.863 53.714 -99.200 -91.000 TYR 186 0.840 37.792 86.726 53.077 -99.200 -91.000 PHE 188 1.000 31.909 82.945 50.960 -99.200 -91.000 TYR 202 0.840 16.735 87.116 45.451 -99.200 -91.000 TYR 205 0.840 27.524 84.484 54.569 -99.200 -91.000 TYR 210 0.840 34.613 94.190 51.498 -99.200 -91.000 HIS 219 0.900 32.249 65.816 30.553 -99.200 -91.000 HIS 223 0.900 23.373 76.843 33.967 -99.200 -91.000 TYR 226 0.840 25.643 71.933 39.731 -99.200 -91.000 TYR 238 0.840 36.225 73.446 32.944 -99.200 -91.000 TYR 245 0.840 29.115 62.497 39.470 -99.200 -91.000 HIS 247 0.900 36.572 61.402 38.820 -99.200 -91.000 HIS 259 0.900 33.878 67.969 45.978 -99.200 -91.000 TYR 273 0.840 41.414 83.551 42.165 -99.200 -91.000 TRP 285 1.040 40.958 93.955 48.548 -99.200 -91.000 TRP6 285 1.020 38.698 94.200 47.896 -99.200 -91.000 TYR 290 0.840 40.496 96.562 38.409 -99.200 -91.000 TRP 307 1.040 27.419 85.079 26.892 -99.200 -91.000 TRP6 307 1.020 29.240 85.165 28.393 -99.200 -91.000 TYR 316 0.840 28.367 89.957 34.384 -99.200 -91.000 HIS 318 0.900 23.173 89.648 34.950 -99.200 -91.000 TYR 320 0.840 27.554 80.190 30.788 -99.200 -91.000 PHE 322 1.000 33.003 90.808 33.759 -99.200 -91.000 HIS 328 0.900 49.881 80.115 29.618 -99.200 -91.000 TRP 337 1.040 47.225 94.134 37.254 -99.200 -91.000 TRP6 337 1.020 45.534 94.816 35.757 -99.200 -91.000 TRP 345 1.040 33.595 104.931 50.227 -99.200 -91.000 TRP6 345 1.020 35.516 103.823 51.051 -99.200 -91.000 PHE 346 1.000 29.176 110.279 44.121 -99.200 -91.000 TYR 347 0.840 29.232 104.828 50.905 -99.200 -91.000 TYR 352 0.840 13.877 108.575 52.479 -99.200 -91.000 PHE 380 1.000 33.881 105.828 41.695 -99.200 -91.000 HIS 385 0.900 33.542 94.916 43.875 -99.200 -91.000 PHE 427 1.000 13.460 91.608 47.599 -99.200 -91.000 TRP 430 1.040 19.153 91.644 49.662 -99.200 -91.000 TRP6 430 1.020 20.169 90.220 51.253 -99.200 -91.000 PHE 432 1.000 18.364 93.043 45.364 -99.200 -91.000 HIS 437 0.900 25.938 98.359 36.085 -99.200 -91.000 TRP 438 1.040 35.760 95.883 37.498 -99.200 -91.000 TRP6 438 1.020 35.688 94.784 39.600 -99.200 -91.000 TRP 446 1.040 24.582 105.448 37.404 -99.200 -91.000 TRP6 446 1.020 25.459 103.256 37.282 -99.200 -91.000 HIS 457 0.900 1.371 87.477 43.322 -99.200 -91.000 PHE 461 1.000 11.848 101.481 44.561 -99.200 -91.000 HIS 462 0.900 7.812 101.076 51.721 -99.200 -91.000 TRP 464 1.040 18.035 103.155 44.118 -99.200 -91.000 TRP6 464 1.020 17.358 104.852 42.639 -99.200 -91.000 PHE 469 1.000 31.380 100.015 47.674 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ot5A1 PRO 123 HA 0.06 0.05 0.20 -0.51 4.44 4.24 1ot5A1 PRO 123 HB2 0.03 0.03 -0.10 -0.04 2.28 2.21 1ot5A1 PRO 123 HB3 0.03 0.08 0.03 -0.04 2.02 2.12 1ot5A1 PRO 123 HG2 0.03 -0.27 0.14 -0.04 2.03 1.89 1ot5A1 PRO 123 HG3 0.02 0.13 0.05 -0.04 2.03 2.19 1ot5A1 PRO 123 HD2 0.03 -0.02 0.07 -0.04 3.68 3.73 1ot5A1 PRO 123 HD3 0.02 0.11 0.05 -0.04 3.65 3.80 1ot5A1 VAL 124 H 0.05 0.21 0.12 -0.55 8.24 8.06 1ot5A1 VAL 124 HA 0.15 0.16 0.61 -0.75 4.13 4.30 1ot5A1 VAL 124 HB 0.03 -0.00 0.08 -0.04 2.12 2.19 1ot5A1 VAL 124 HG13 -0.03 0.02 -0.09 -0.04 0.97 0.83 1ot5A1 VAL 124 HG23 -0.05 0.03 -0.03 -0.04 0.95 0.86 1ot5A1 LYS 125 H 0.08 0.14 0.02 -0.55 8.42 8.11 1ot5A1 LYS 125 HA 0.11 0.13 0.52 -0.75 4.32 4.33 1ot5A1 LYS 125 HB2 0.05 0.02 0.05 -0.04 1.87 1.95 1ot5A1 LYS 125 HB3 0.05 0.07 -0.01 -0.04 1.79 1.86 1ot5A1 LYS 125 HG2 0.06 0.06 0.00 -0.04 1.46 1.53 1ot5A1 LYS 125 HG3 0.05 -0.07 0.00 -0.04 1.46 1.40 1ot5A1 LYS 125 HD2 0.03 0.00 0.01 -0.04 1.69 1.69 1ot5A1 LYS 125 HD3 0.03 0.04 -0.01 -0.04 1.68 1.70 1ot5A1 LYS 125 HE2 0.03 0.03 -0.01 -0.04 2.99 2.99 1ot5A1 LYS 125 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.95 1ot5A1 GLU 126 H 0.10 0.10 -0.41 -0.55 8.60 7.84 1ot5A1 GLU 126 HA 0.06 0.12 0.35 -0.75 4.29 4.08 1ot5A1 GLU 126 HB2 0.14 0.08 -0.12 -0.04 2.09 2.15 1ot5A1 GLU 126 HB3 0.06 0.05 0.01 -0.04 1.99 2.08 1ot5A1 GLU 126 HG2 0.08 -0.17 -0.09 -0.04 2.34 2.13 1ot5A1 GLU 126 HG3 0.07 0.05 0.01 -0.04 2.34 2.43 1ot5A1 ALA 127 H 0.20 0.13 -0.52 -0.55 8.40 7.65 1ot5A1 ALA 127 HA 0.34 0.09 0.41 -0.75 4.34 4.42 1ot5A1 ALA 127 HB3 0.34 0.07 0.09 -0.04 1.41 1.87 1ot5A1 GLU 128 H 0.19 0.53 0.01 -0.55 8.60 8.79 1ot5A1 GLU 128 HA -0.11 -0.06 0.39 -0.75 4.29 3.75 1ot5A1 GLU 128 HB2 0.08 0.00 0.10 -0.04 2.09 2.23 1ot5A1 GLU 128 HB3 0.02 0.21 0.09 -0.04 1.99 2.27 1ot5A1 GLU 128 HG2 0.21 -0.05 0.01 -0.04 2.34 2.47 1ot5A1 GLU 128 HG3 0.32 0.31 0.10 -0.04 2.34 3.04 1ot5A1 ASP 129 H 0.06 0.40 -0.53 -0.55 8.40 7.78 1ot5A1 ASP 129 HA 0.01 0.07 0.49 -0.75 4.63 4.43 1ot5A1 ASP 129 HB2 0.03 0.03 0.08 -0.04 2.71 2.82 1ot5A1 ASP 129 HB3 0.03 0.05 0.04 -0.04 2.70 2.78 1ot5A1 LYS 130 H 0.08 0.31 -0.33 -0.55 8.42 7.92 1ot5A1 LYS 130 HA 0.00 0.15 0.80 -0.75 4.32 4.51 1ot5A1 LYS 130 HB2 0.07 0.26 0.16 -0.04 1.87 2.32 1ot5A1 LYS 130 HB3 0.31 -0.04 0.06 -0.04 1.79 2.08 1ot5A1 LYS 130 HG2 -0.17 0.01 -0.02 -0.04 1.46 1.24 1ot5A1 LYS 130 HG3 -0.10 0.00 0.07 -0.04 1.46 1.39 1ot5A1 LYS 130 HD2 -0.21 -0.00 -0.03 -0.04 1.69 1.40 1ot5A1 LYS 130 HD3 -1.00 -0.05 -0.05 -0.04 1.68 0.53 1ot5A1 LYS 130 HE2 -0.64 0.03 -0.01 -0.04 2.99 2.33 1ot5A1 LYS 130 HE3 -0.24 0.01 0.00 -0.04 2.99 2.72 1ot5A1 LEU 131 H 0.05 0.48 0.08 -0.55 8.37 8.44 1ot5A1 LEU 131 HA -0.01 0.23 0.75 -0.75 4.35 4.57 1ot5A1 LEU 131 HB2 -0.19 -0.06 -0.02 -0.04 1.64 1.34 1ot5A1 LEU 131 HB3 -0.26 0.01 0.09 -0.04 1.64 1.43 1ot5A1 LEU 131 HG -0.04 -0.03 -0.05 -0.04 1.64 1.47 1ot5A1 LEU 131 HD13 0.24 0.03 -0.24 -0.04 0.93 0.91 1ot5A1 LEU 131 HD23 0.28 -0.05 -0.02 -0.04 0.89 1.06 1ot5A1 SER 132 H -0.04 0.10 -0.57 -0.55 8.46 7.41 1ot5A1 SER 132 HA -0.05 0.10 0.26 -0.75 4.49 4.05 1ot5A1 SER 132 HB2 -0.09 0.14 -0.06 -0.04 3.95 3.90 1ot5A1 SER 132 HB3 -0.06 -0.07 0.12 -0.04 3.93 3.88 1ot5A1 ILE 133 H -0.14 0.37 0.01 -0.55 8.25 7.95 1ot5A1 ILE 133 HA -0.24 0.03 0.67 -0.75 4.18 3.88 1ot5A1 ILE 133 HB -0.34 -0.06 0.14 -0.04 1.89 1.60 1ot5A1 ILE 133 HG12 -0.55 0.03 -0.08 -0.04 1.49 0.84 1ot5A1 ILE 133 HG13 -0.36 0.03 -0.26 -0.04 1.21 0.58 1ot5A1 ILE 133 HG23 -0.55 -0.02 -0.09 -0.04 0.93 0.23 1ot5A1 ILE 133 HD13 -0.86 -0.01 -0.13 -0.04 0.88 -0.16 1ot5A1 ASN 134 H -0.10 0.11 0.19 -0.55 8.53 8.18 1ot5A1 ASN 134 HA -0.02 0.23 0.73 -0.75 4.76 4.94 1ot5A1 ASN 134 HB2 -0.01 0.01 0.10 -0.04 2.88 2.94 1ot5A1 ASN 134 HB3 -0.03 0.10 -0.08 -0.04 2.79 2.74 1ot5A1 ASN 134 HD21 -0.01 0.05 -0.20 -0.04 7.03 6.83 1ot5A1 ASN 134 HD22 -0.01 0.04 -0.04 -0.04 7.74 7.69 1ot5A1 ASP 135 H -0.08 0.01 -0.15 -0.55 8.40 7.63 1ot5A1 ASP 135 HA -0.00 0.05 0.31 -0.75 4.63 4.24 1ot5A1 ASP 135 HB2 -0.00 -0.13 0.05 -0.04 2.71 2.59 1ot5A1 ASP 135 HB3 -0.00 0.39 -0.08 -0.04 2.70 2.97 1ot5A1 PRO 136 HA 0.01 0.08 0.32 -0.51 4.44 4.35 1ot5A1 PRO 136 HB2 -0.05 -0.08 0.02 -0.04 2.28 2.13 1ot5A1 PRO 136 HB3 -0.01 0.03 0.05 -0.04 2.02 2.05 1ot5A1 PRO 136 HG2 -0.02 0.03 0.01 -0.04 2.03 2.01 1ot5A1 PRO 136 HG3 0.01 0.12 0.06 -0.04 2.03 2.18 1ot5A1 PRO 136 HD2 -0.05 0.07 -0.25 -0.04 3.68 3.41 1ot5A1 PRO 136 HD3 0.01 0.09 -0.07 -0.04 3.65 3.64 1ot5A1 LEU 137 H -0.02 0.56 -0.24 -0.55 8.37 8.13 1ot5A1 LEU 137 HA -0.03 0.12 0.44 -0.75 4.35 4.13 1ot5A1 LEU 137 HB2 -0.06 -0.08 -0.26 -0.04 1.64 1.20 1ot5A1 LEU 137 HB3 0.01 -0.00 -0.51 -0.04 1.64 1.09 1ot5A1 LEU 137 HG -0.01 -0.04 -0.07 -0.04 1.64 1.49 1ot5A1 LEU 137 HD13 -0.01 0.01 -0.10 -0.04 0.93 0.79 1ot5A1 LEU 137 HD23 0.05 0.01 -0.21 -0.04 0.89 0.69 1ot5A1 PHE 138 H 0.15 0.39 -0.32 -0.55 8.34 8.01 1ot5A1 PHE 138 HA -0.03 -0.02 0.33 -0.75 4.62 4.15 1ot5A1 PHE 138 HB2 -0.03 -0.04 0.05 -0.04 3.15 3.09 1ot5A1 PHE 138 HB3 -0.02 0.16 -0.01 -0.04 3.06 3.15 1ot5A1 PHE 138 HD2 0.02 0.01 -0.04 -0.04 7.28 7.23 1ot5A1 PHE 138 HE2 0.18 0.04 -0.00 -0.04 7.38 7.56 1ot5A1 PHE 138 HZ 0.18 -0.03 -0.05 -0.04 7.32 7.39 1ot5A1 GLU 139 H 0.03 0.27 -0.47 -0.55 8.60 7.88 1ot5A1 GLU 139 HA -0.18 0.02 0.35 -0.75 4.29 3.73 1ot5A1 GLU 139 HB2 -0.02 0.14 0.04 -0.04 2.09 2.21 1ot5A1 GLU 139 HB3 -0.04 -0.01 -0.04 -0.04 1.99 1.85 1ot5A1 GLU 139 HG2 0.01 -0.06 0.00 -0.04 2.34 2.24 1ot5A1 GLU 139 HG3 0.06 0.03 -0.04 -0.04 2.34 2.35 1ot5A1 ARG 140 H -0.14 0.61 -0.22 -0.55 8.46 8.16 1ot5A1 ARG 140 HA -0.12 0.17 0.88 -0.75 4.34 4.51 1ot5A1 ARG 140 HB2 -0.38 0.05 0.08 -0.04 1.90 1.61 1ot5A1 ARG 140 HB3 -0.77 -0.05 0.15 -0.04 1.80 1.08 1ot5A1 ARG 140 HG2 -0.13 0.02 -0.03 -0.04 1.67 1.49 1ot5A1 ARG 140 HG3 -0.12 -0.02 -0.10 -0.04 1.67 1.39 1ot5A1 ARG 140 HD2 -0.06 0.01 -0.03 -0.04 3.22 3.10 1ot5A1 ARG 140 HD3 -0.12 -0.03 -0.02 -0.04 3.22 3.01 1ot5A1 GLN 141 H -0.23 0.39 -0.19 -0.55 8.47 7.90 1ot5A1 GLN 141 HA -0.16 0.02 0.66 -0.75 4.36 4.13 1ot5A1 GLN 141 HB2 -0.28 0.14 0.29 -0.04 2.15 2.25 1ot5A1 GLN 141 HB3 -0.49 -0.08 0.24 -0.04 2.02 1.64 1ot5A1 GLN 141 HG2 0.11 0.12 0.04 -0.04 2.40 2.63 1ot5A1 GLN 141 HG3 -0.01 0.12 -0.16 -0.04 2.39 2.29 1ot5A1 GLN 141 HE21 0.15 -0.02 0.04 -0.04 6.97 7.09 1ot5A1 GLN 141 HE22 0.18 0.48 0.13 -0.04 7.69 8.44 1ot5A1 TRP 142 H -0.08 0.56 0.04 -0.55 7.97 7.94 1ot5A1 TRP 142 HA -0.15 0.33 0.22 -0.75 4.62 4.26 1ot5A1 TRP 142 HB2 -0.02 -0.02 0.11 -0.04 3.23 3.25 1ot5A1 TRP 142 HB3 -0.04 0.04 0.15 -0.04 3.23 3.33 1ot5A1 TRP 142 HD1 0.04 0.16 0.22 -0.04 7.22 7.60 1ot5A1 TRP 142 HE1 0.14 0.30 0.17 -0.04 10.20 10.78 1ot5A1 TRP 142 HE3 -0.16 0.17 -0.37 -0.04 7.59 7.19 1ot5A1 TRP 142 HZ2 0.07 -0.02 -0.37 -0.04 7.44 7.08 1ot5A1 TRP 142 HZ3 -0.36 0.06 -0.18 -0.04 7.13 6.61 1ot5A1 TRP 142 HH2 0.22 -0.00 -0.06 -0.04 7.19 7.31 1ot5A1 HIS 143 H -0.95 0.04 -0.44 -0.55 8.41 6.51 1ot5A1 HIS 143 HA -0.43 0.18 0.52 -0.75 4.63 4.14 1ot5A1 HIS 143 HB2 -0.29 -0.02 0.06 -0.04 3.26 2.97 1ot5A1 HIS 143 HB3 -1.21 -0.01 0.00 -0.04 3.20 1.94 1ot5A1 HIS 143 HD2 -0.09 -0.00 -0.10 -0.04 6.97 6.73 1ot5A1 HIS 143 HE1 -0.13 0.14 0.11 -0.04 7.75 7.82 1ot5A1 LEU 144 H -0.73 0.50 -0.13 -0.55 8.37 7.46 1ot5A1 LEU 144 HA -0.21 0.01 0.61 -0.75 4.35 4.01 1ot5A1 LEU 144 HB2 -0.31 0.25 0.25 -0.04 1.64 1.78 1ot5A1 LEU 144 HB3 0.12 -0.04 -0.00 -0.04 1.64 1.68 1ot5A1 LEU 144 HG 0.50 0.02 -0.03 -0.04 1.64 2.08 1ot5A1 LEU 144 HD13 -0.12 -0.03 -0.07 -0.04 0.93 0.67 1ot5A1 LEU 144 HD23 0.17 0.07 0.08 -0.04 0.89 1.17 1ot5A1 VAL 145 H -0.24 0.42 -0.04 -0.55 8.24 7.83 1ot5A1 VAL 145 HA -0.06 0.02 0.62 -0.75 4.13 3.96 1ot5A1 VAL 145 HB 0.02 0.00 -0.11 -0.04 2.12 1.99 1ot5A1 VAL 145 HG13 -0.24 -0.00 0.00 -0.04 0.97 0.69 1ot5A1 VAL 145 HG23 0.01 0.00 -0.27 -0.04 0.95 0.65 1ot5A1 ASN 146 H 0.01 0.08 -0.06 -0.55 8.53 8.01 1ot5A1 ASN 146 HA 0.14 0.15 0.88 -0.75 4.76 5.18 1ot5A1 ASN 146 HB2 0.14 0.39 -0.02 -0.04 2.88 3.36 1ot5A1 ASN 146 HB3 0.08 -0.12 -0.02 -0.04 2.79 2.69 1ot5A1 ASN 146 HD21 -0.01 0.05 0.18 -0.04 7.03 7.20 1ot5A1 ASN 146 HD22 0.09 0.47 0.21 -0.04 7.74 8.47 1ot5A1 PRO 147 HA 0.02 0.11 0.51 -0.51 4.44 4.57 1ot5A1 PRO 147 HB2 0.01 0.04 0.01 -0.04 2.28 2.30 1ot5A1 PRO 147 HB3 0.01 -0.06 0.05 -0.04 2.02 1.97 1ot5A1 PRO 147 HG2 0.05 -0.02 0.12 -0.04 2.03 2.14 1ot5A1 PRO 147 HG3 0.01 0.11 0.10 -0.04 2.03 2.20 1ot5A1 PRO 147 HD2 0.11 0.07 0.33 -0.04 3.68 4.14 1ot5A1 PRO 147 HD3 0.00 0.34 0.14 -0.04 3.65 4.09 1ot5A1 SER 148 H 0.10 0.09 -0.03 -0.55 8.46 8.08 1ot5A1 SER 148 HA -0.03 0.12 0.54 -0.75 4.49 4.37 1ot5A1 SER 148 HB2 0.10 -0.03 0.10 -0.04 3.95 4.08 1ot5A1 SER 148 HB3 0.31 0.00 0.06 -0.04 3.93 4.27 1ot5A1 PHE 149 H 0.23 0.03 -0.29 -0.55 8.34 7.76 1ot5A1 PHE 149 HA -0.03 0.23 0.83 -0.75 4.62 4.89 1ot5A1 PHE 149 HB2 -0.08 0.07 0.20 -0.04 3.15 3.30 1ot5A1 PHE 149 HB3 -0.07 0.02 0.09 -0.04 3.06 3.05 1ot5A1 PHE 149 HD2 -0.06 -0.07 -0.13 -0.04 7.28 6.98 1ot5A1 PHE 149 HE2 -0.07 -0.03 -0.03 -0.04 7.38 7.22 1ot5A1 PHE 149 HZ -0.10 -0.04 -0.02 -0.04 7.32 7.12 1ot5A1 PRO 150 HA 0.03 0.03 0.42 -0.51 4.44 4.41 1ot5A1 PRO 150 HB2 0.00 0.01 0.07 -0.04 2.28 2.33 1ot5A1 PRO 150 HB3 0.00 -0.01 0.06 -0.04 2.02 2.03 1ot5A1 PRO 150 HG2 -0.03 0.02 0.04 -0.04 2.03 2.01 1ot5A1 PRO 150 HG3 -0.01 0.08 0.03 -0.04 2.03 2.08 1ot5A1 PRO 150 HD2 -0.07 0.09 0.09 -0.04 3.68 3.75 1ot5A1 PRO 150 HD3 -0.07 0.26 -0.39 -0.04 3.65 3.41 1ot5A1 GLY 151 H 0.03 0.08 0.16 -0.55 8.43 8.15 1ot5A1 GLY 151 HA2 0.03 -0.05 0.40 -0.51 4.01 3.88 1ot5A1 GLY 151 HA3 0.05 0.20 0.68 -0.51 4.01 4.43 1ot5A1 SER 152 H 0.08 0.60 -0.25 -0.55 8.46 8.34 1ot5A1 SER 152 HA 0.20 0.13 0.60 -0.75 4.49 4.66 1ot5A1 SER 152 HB2 0.05 0.15 0.21 -0.04 3.95 4.32 1ot5A1 SER 152 HB3 -0.05 -0.13 0.09 -0.04 3.93 3.80 1ot5A1 ASP 153 H 0.05 0.64 -0.10 -0.55 8.40 8.44 1ot5A1 ASP 153 HA -0.40 0.12 0.55 -0.75 4.63 4.15 1ot5A1 ASP 153 HB2 -0.10 0.18 -0.28 -0.04 2.71 2.47 1ot5A1 ASP 153 HB3 -0.05 0.21 -0.20 -0.04 2.70 2.62 1ot5A1 ILE 154 H 0.01 0.67 0.31 -0.55 8.25 8.68 1ot5A1 ILE 154 HA 0.18 0.26 0.56 -0.75 4.18 4.42 1ot5A1 ILE 154 HB 0.01 -0.07 0.15 -0.04 1.89 1.95 1ot5A1 ILE 154 HG12 -0.07 0.24 0.22 -0.04 1.49 1.84 1ot5A1 ILE 154 HG13 -0.15 -0.14 -0.21 -0.04 1.21 0.67 1ot5A1 ILE 154 HG23 0.16 0.03 0.09 -0.04 0.93 1.18 1ot5A1 ILE 154 HD13 -0.06 0.00 0.01 -0.04 0.88 0.79 1ot5A1 ASN 155 H -0.04 0.08 -0.47 -0.55 8.53 7.55 1ot5A1 ASN 155 HA -0.08 -0.03 0.36 -0.75 4.76 4.25 1ot5A1 ASN 155 HB2 0.01 0.16 -0.03 -0.04 2.88 2.98 1ot5A1 ASN 155 HB3 0.01 0.04 0.14 -0.04 2.79 2.94 1ot5A1 ASN 155 HD21 -0.08 0.04 0.03 -0.04 7.03 6.98 1ot5A1 ASN 155 HD22 0.02 0.00 0.06 -0.04 7.74 7.79 1ot5A1 VAL 156 H -0.29 0.15 0.12 -0.55 8.24 7.67 1ot5A1 VAL 156 HA -0.26 0.20 0.99 -0.75 4.13 4.31 1ot5A1 VAL 156 HB -0.38 0.01 -0.08 -0.04 2.12 1.63 1ot5A1 VAL 156 HG13 -1.26 0.03 -0.05 -0.04 0.97 -0.35 1ot5A1 VAL 156 HG23 -0.68 0.03 0.06 -0.04 0.95 0.32 1ot5A1 LEU 157 H -0.36 0.07 0.12 -0.55 8.37 7.66 1ot5A1 LEU 157 HA -0.39 0.11 0.37 -0.75 4.35 3.69 1ot5A1 LEU 157 HB2 -0.15 -0.04 0.10 -0.04 1.64 1.51 1ot5A1 LEU 157 HB3 -0.34 0.08 -0.02 -0.04 1.64 1.31 1ot5A1 LEU 157 HG -0.12 -0.01 0.10 -0.04 1.64 1.56 1ot5A1 LEU 157 HD13 0.08 0.01 0.00 -0.04 0.93 0.99 1ot5A1 LEU 157 HD23 0.15 0.01 0.01 -0.04 0.89 1.02 1ot5A1 ASP 158 H -0.15 0.08 -0.25 -0.55 8.40 7.53 1ot5A1 ASP 158 HA 0.10 0.09 0.37 -0.75 4.63 4.43 1ot5A1 ASP 158 HB2 -0.03 -0.02 -0.01 -0.04 2.71 2.61 1ot5A1 ASP 158 HB3 0.13 0.09 -0.02 -0.04 2.70 2.86 1ot5A1 LEU 159 H -0.08 0.27 -0.30 -0.55 8.37 7.72 1ot5A1 LEU 159 HA 0.08 0.11 0.55 -0.75 4.35 4.34 1ot5A1 LEU 159 HB2 -0.15 0.13 0.18 -0.04 1.64 1.76 1ot5A1 LEU 159 HB3 0.01 0.06 0.04 -0.04 1.64 1.71 1ot5A1 LEU 159 HG 0.03 -0.13 0.03 -0.04 1.64 1.53 1ot5A1 LEU 159 HD13 -0.07 0.01 -0.19 -0.04 0.93 0.64 1ot5A1 LEU 159 HD23 -0.09 0.03 -0.01 -0.04 0.89 0.78 1ot5A1 TRP 160 H -0.03 0.34 -0.02 -0.55 7.97 7.72 1ot5A1 TRP 160 HA 0.01 0.18 0.40 -0.75 4.62 4.45 1ot5A1 TRP 160 HB2 -0.21 0.06 0.17 -0.04 3.23 3.22 1ot5A1 TRP 160 HB3 0.06 -0.03 -0.01 -0.04 3.23 3.21 1ot5A1 TRP 160 HD1 -0.10 0.28 0.07 -0.04 7.22 7.43 1ot5A1 TRP 160 HE1 -0.12 0.41 0.19 -0.04 10.20 10.64 1ot5A1 TRP 160 HE3 -0.05 -0.03 -0.03 -0.04 7.59 7.44 1ot5A1 TRP 160 HZ2 0.15 0.18 0.02 -0.04 7.44 7.74 1ot5A1 TRP 160 HZ3 0.11 -0.07 -0.06 -0.04 7.13 7.06 1ot5A1 TRP 160 HH2 0.17 -0.04 -0.10 -0.04 7.19 7.18 1ot5A1 TYR 161 H 0.05 0.41 -0.19 -0.55 8.29 8.00 1ot5A1 TYR 161 HA 0.14 0.06 0.39 -0.75 4.56 4.41 1ot5A1 TYR 161 HB2 0.11 0.08 0.03 -0.04 3.06 3.24 1ot5A1 TYR 161 HB3 0.09 -0.02 0.06 -0.04 2.98 3.07 1ot5A1 TYR 161 HD2 0.11 0.02 -0.10 -0.04 7.15 7.13 1ot5A1 TYR 161 HE2 0.10 -0.05 -0.09 -0.04 6.85 6.77 1ot5A1 ASN 162 H 0.20 0.30 -0.67 -0.55 8.53 7.82 1ot5A1 ASN 162 HA 0.13 0.16 0.84 -0.75 4.76 5.13 1ot5A1 ASN 162 HB2 0.11 0.06 0.16 -0.04 2.88 3.17 1ot5A1 ASN 162 HB3 0.09 -0.03 0.20 -0.04 2.79 3.01 1ot5A1 ASN 162 HD21 0.16 -0.13 -0.01 -0.04 7.03 7.01 1ot5A1 ASN 162 HD22 0.15 0.04 0.05 -0.04 7.74 7.94 1ot5A1 ASN 163 H 0.16 0.36 -0.41 -0.55 8.53 8.10 1ot5A1 ASN 163 HA 0.10 0.04 0.26 -0.75 4.76 4.40 1ot5A1 ASN 163 HB2 0.07 -0.04 -0.21 -0.04 2.88 2.66 1ot5A1 ASN 163 HB3 0.06 0.19 0.08 -0.04 2.79 3.08 1ot5A1 ASN 163 HD21 0.03 -0.05 0.06 -0.04 7.03 7.03 1ot5A1 ASN 163 HD22 0.04 0.05 0.06 -0.04 7.74 7.85 1ot5A1 ILE 164 H 0.13 0.47 -0.26 -0.55 8.25 8.04 1ot5A1 ILE 164 HA 0.04 0.12 0.82 -0.75 4.18 4.41 1ot5A1 ILE 164 HB 0.08 -0.04 0.09 -0.04 1.89 1.97 1ot5A1 ILE 164 HG12 0.06 0.12 -0.13 -0.04 1.49 1.50 1ot5A1 ILE 164 HG13 0.03 -0.05 -0.00 -0.04 1.21 1.14 1ot5A1 ILE 164 HG23 0.03 -0.02 -0.07 -0.04 0.93 0.82 1ot5A1 ILE 164 HD13 0.03 0.03 -0.09 -0.04 0.88 0.81 1ot5A1 THR 165 H -0.01 0.15 0.08 -0.55 8.28 7.95 1ot5A1 THR 165 HA -0.09 0.26 0.82 -0.75 4.39 4.62 1ot5A1 THR 165 HB -0.91 -0.09 0.06 -0.04 4.32 3.34 1ot5A1 THR 165 HG23 -0.14 0.01 -0.39 -0.04 1.22 0.66 1ot5A1 GLY 166 H -0.01 0.15 0.02 -0.55 8.43 8.04 1ot5A1 GLY 166 HA2 0.01 0.28 0.11 -0.51 4.01 3.90 1ot5A1 GLY 166 HA3 -0.01 0.05 0.32 -0.51 4.01 3.85 1ot5A1 ALA 167 H -0.03 -0.10 -0.30 -0.55 8.40 7.44 1ot5A1 ALA 167 HA -0.01 0.47 0.42 -0.75 4.34 4.47 1ot5A1 ALA 167 HB3 -0.00 -0.01 0.06 -0.04 1.41 1.42 1ot5A1 GLY 168 H 0.00 0.20 0.24 -0.55 8.43 8.33 1ot5A1 GLY 168 HA2 0.00 -0.05 0.37 -0.51 4.01 3.83 1ot5A1 GLY 168 HA3 0.01 0.15 0.62 -0.51 4.01 4.28 1ot5A1 VAL 169 H 0.00 0.41 -0.22 -0.55 8.24 7.88 1ot5A1 VAL 169 HA -0.00 0.19 0.90 -0.75 4.13 4.46 1ot5A1 VAL 169 HB 0.01 0.06 0.08 -0.04 2.12 2.23 1ot5A1 VAL 169 HG13 0.01 -0.02 -0.06 -0.04 0.97 0.86 1ot5A1 VAL 169 HG23 0.02 0.06 -0.25 -0.04 0.95 0.73 1ot5A1 VAL 170 H -0.02 0.20 0.26 -0.55 8.24 8.12 1ot5A1 VAL 170 HA -0.02 0.32 1.10 -0.75 4.13 4.77 1ot5A1 VAL 170 HB -0.06 0.09 0.31 -0.04 2.12 2.43 1ot5A1 VAL 170 HG13 -0.06 -0.06 -0.27 -0.04 0.97 0.55 1ot5A1 VAL 170 HG23 -0.03 0.00 -0.12 -0.04 0.95 0.76 1ot5A1 ALA 171 H -0.01 0.84 0.36 -0.55 8.40 9.04 1ot5A1 ALA 171 HA -0.08 0.10 1.03 -0.75 4.34 4.64 1ot5A1 ALA 171 HB3 0.02 0.01 -0.04 -0.04 1.41 1.36 1ot5A1 ALA 172 H -0.16 0.96 0.38 -0.55 8.40 9.03 1ot5A1 ALA 172 HA 0.05 0.14 0.96 -0.75 4.34 4.73 1ot5A1 ALA 172 HB3 -0.06 0.01 -0.01 -0.04 1.41 1.32 1ot5A1 ILE 173 H 0.14 0.63 0.27 -0.55 8.25 8.73 1ot5A1 ILE 173 HA 0.14 0.22 0.93 -0.75 4.18 4.72 1ot5A1 ILE 173 HB 0.13 -0.01 0.20 -0.04 1.89 2.18 1ot5A1 ILE 173 HG12 0.08 -0.08 -0.14 -0.04 1.49 1.32 1ot5A1 ILE 173 HG13 0.08 0.04 -0.17 -0.04 1.21 1.13 1ot5A1 ILE 173 HG23 0.13 -0.02 -0.11 -0.04 0.93 0.88 1ot5A1 ILE 173 HD13 0.09 -0.01 -0.18 -0.04 0.88 0.74 1ot5A1 VAL 174 H 0.26 0.57 0.17 -0.55 8.24 8.69 1ot5A1 VAL 174 HA 0.26 0.21 0.76 -0.75 4.13 4.61 1ot5A1 VAL 174 HB 0.62 -0.06 0.17 -0.04 2.12 2.82 1ot5A1 VAL 174 HG13 0.29 -0.02 -0.09 -0.04 0.97 1.11 1ot5A1 VAL 174 HG23 0.40 0.04 -0.09 -0.04 0.95 1.26 1ot5A1 ASP 175 H 0.15 0.38 0.20 -0.55 8.40 8.57 1ot5A1 ASP 175 HA 0.12 0.19 0.70 -0.75 4.63 4.88 1ot5A1 ASP 175 HB2 0.20 0.14 -0.41 -0.04 2.71 2.60 1ot5A1 ASP 175 HB3 0.14 -0.11 0.17 -0.04 2.70 2.86 1ot5A1 ASP 176 H 0.08 0.10 0.13 -0.55 8.40 8.17 1ot5A1 ASP 176 HA -0.03 0.01 0.83 -0.75 4.63 4.70 1ot5A1 ASP 176 HB2 -0.05 0.04 0.17 -0.04 2.71 2.82 1ot5A1 ASP 176 HB3 -0.06 0.10 0.01 -0.04 2.70 2.71 1ot5A1 GLY 177 H 0.06 0.09 -0.35 -0.55 8.43 7.68 1ot5A1 GLY 177 HA2 0.05 0.11 0.19 -0.51 4.01 3.86 1ot5A1 GLY 177 HA3 0.01 0.31 0.85 -0.51 4.01 4.67 1ot5A1 LEU 178 H 0.03 0.43 -0.12 -0.55 8.37 8.17 1ot5A1 LEU 178 HA 0.04 -0.01 0.33 -0.75 4.35 3.96 1ot5A1 LEU 178 HB2 0.13 0.14 -0.18 -0.04 1.64 1.68 1ot5A1 LEU 178 HB3 0.17 -0.08 -0.20 -0.04 1.64 1.49 1ot5A1 LEU 178 HG 0.21 -0.04 -0.29 -0.04 1.64 1.48 1ot5A1 LEU 178 HD13 0.08 0.00 -0.55 -0.04 0.93 0.42 1ot5A1 LEU 178 HD23 0.26 0.04 -0.44 -0.04 0.89 0.71 1ot5A1 ASP 179 H -0.04 0.12 -0.04 -0.55 8.40 7.90 1ot5A1 ASP 179 HA -0.33 0.12 0.51 -0.75 4.63 4.16 1ot5A1 ASP 179 HB2 -0.09 0.04 0.13 -0.04 2.71 2.75 1ot5A1 ASP 179 HB3 -0.07 0.03 0.20 -0.04 2.70 2.82 1ot5A1 TYR 180 H -0.73 0.33 0.25 -0.55 8.29 7.58 1ot5A1 TYR 180 HA -0.31 0.13 0.25 -0.75 4.56 3.88 1ot5A1 TYR 180 HB2 -1.14 0.11 0.08 -0.04 3.06 2.06 1ot5A1 TYR 180 HB3 -1.66 0.02 0.01 -0.04 2.98 1.31 1ot5A1 TYR 180 HD2 -0.34 0.06 -0.19 -0.04 7.15 6.65 1ot5A1 TYR 180 HE2 -0.13 -0.17 -0.05 -0.04 6.85 6.45 1ot5A1 GLU 181 H -0.38 -0.08 -0.54 -0.55 8.60 7.05 1ot5A1 GLU 181 HA -0.03 0.28 0.77 -0.75 4.29 4.56 1ot5A1 GLU 181 HB2 -0.26 -0.10 0.01 -0.04 2.09 1.70 1ot5A1 GLU 181 HB3 -0.11 0.02 0.03 -0.04 1.99 1.89 1ot5A1 GLU 181 HG2 0.01 0.09 0.01 -0.04 2.34 2.40 1ot5A1 GLU 181 HG3 -0.03 -0.03 -0.13 -0.04 2.34 2.11 1ot5A1 ASN 182 H -0.11 0.30 -0.19 -0.55 8.53 7.99 1ot5A1 ASN 182 HA -0.06 0.05 0.49 -0.75 4.76 4.48 1ot5A1 ASN 182 HB2 -0.01 -0.03 0.16 -0.04 2.88 2.95 1ot5A1 ASN 182 HB3 0.01 0.12 0.14 -0.04 2.79 3.02 1ot5A1 ASN 182 HD21 0.31 0.05 0.02 -0.04 7.03 7.36 1ot5A1 ASN 182 HD22 0.10 -0.07 0.12 -0.04 7.74 7.85 1ot5A1 GLU 183 H -0.27 0.16 0.21 -0.55 8.60 8.16 1ot5A1 GLU 183 HA -0.18 0.15 0.36 -0.75 4.29 3.86 1ot5A1 GLU 183 HB2 -1.62 -0.07 0.13 -0.04 2.09 0.48 1ot5A1 GLU 183 HB3 -0.67 0.09 -0.01 -0.04 1.99 1.36 1ot5A1 GLU 183 HG2 -0.41 -0.02 0.12 -0.04 2.34 1.99 1ot5A1 GLU 183 HG3 -0.63 0.05 0.06 -0.04 2.34 1.79 1ot5A1 ASP 184 H 0.16 -0.03 -0.39 -0.55 8.40 7.60 1ot5A1 ASP 184 HA 0.13 0.26 0.73 -0.75 4.63 5.00 1ot5A1 ASP 184 HB2 0.33 -0.10 -0.01 -0.04 2.71 2.89 1ot5A1 ASP 184 HB3 0.14 -0.02 -0.02 -0.04 2.70 2.77 1ot5A1 LEU 185 H 0.05 0.36 -0.20 -0.55 8.37 8.03 1ot5A1 LEU 185 HA 0.10 0.33 0.95 -0.75 4.35 4.97 1ot5A1 LEU 185 HB2 0.05 0.09 -0.04 -0.04 1.64 1.69 1ot5A1 LEU 185 HB3 0.11 0.02 -0.13 -0.04 1.64 1.60 1ot5A1 LEU 185 HG 0.08 -0.17 -0.27 -0.04 1.64 1.24 1ot5A1 LEU 185 HD13 0.05 0.03 -0.13 -0.04 0.93 0.84 1ot5A1 LEU 185 HD23 0.09 0.07 -0.40 -0.04 0.89 0.60 1ot5A1 LYS 186 H 0.03 0.57 0.00 -0.55 8.42 8.46 1ot5A1 LYS 186 HA 0.08 0.17 0.35 -0.75 4.32 4.17 1ot5A1 LYS 186 HB2 0.03 0.00 0.02 -0.04 1.87 1.88 1ot5A1 LYS 186 HB3 -0.00 -0.03 -0.18 -0.04 1.79 1.54 1ot5A1 LYS 186 HG2 -0.01 0.02 -0.04 -0.04 1.46 1.38 1ot5A1 LYS 186 HG3 0.02 0.04 -0.14 -0.04 1.46 1.34 1ot5A1 LYS 186 HD2 -0.02 -0.01 -0.06 -0.04 1.69 1.56 1ot5A1 LYS 186 HD3 -0.06 -0.02 -0.12 -0.04 1.68 1.44 1ot5A1 LYS 186 HE2 -0.07 0.08 0.07 -0.04 2.99 3.03 1ot5A1 LYS 186 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 1ot5A1 ASP 187 H 0.06 0.06 -0.39 -0.55 8.40 7.58 1ot5A1 ASP 187 HA 0.06 0.09 0.45 -0.75 4.63 4.48 1ot5A1 ASP 187 HB2 0.03 -0.04 0.04 -0.04 2.71 2.70 1ot5A1 ASP 187 HB3 0.05 0.07 -0.04 -0.04 2.70 2.74 1ot5A1 ASN 188 H 0.10 0.12 -0.16 -0.55 8.53 8.04 1ot5A1 ASN 188 HA 0.06 0.18 0.72 -0.75 4.76 4.97 1ot5A1 ASN 188 HB2 0.09 -0.03 0.10 -0.04 2.88 3.01 1ot5A1 ASN 188 HB3 0.07 0.15 0.29 -0.04 2.79 3.25 1ot5A1 ASN 188 HD21 0.08 0.09 -0.01 -0.04 7.03 7.15 1ot5A1 ASN 188 HD22 0.08 0.31 0.09 -0.04 7.74 8.18 1ot5A1 PHE 189 H 0.24 0.25 -0.38 -0.55 8.34 7.89 1ot5A1 PHE 189 HA 0.06 0.17 0.50 -0.75 4.62 4.59 1ot5A1 PHE 189 HB2 0.09 -0.01 -0.01 -0.04 3.15 3.18 1ot5A1 PHE 189 HB3 0.05 0.16 0.09 -0.04 3.06 3.32 1ot5A1 PHE 189 HD2 0.04 0.09 -0.08 -0.04 7.28 7.28 1ot5A1 PHE 189 HE2 -0.05 -0.07 -0.05 -0.04 7.38 7.16 1ot5A1 PHE 189 HZ -0.06 -0.03 -0.03 -0.04 7.32 7.16 1ot5A1 CYS 190 H -0.52 0.52 0.13 -0.55 8.50 8.07 1ot5A1 CYS 190 HA -0.29 0.20 0.86 -0.75 4.58 4.59 1ot5A1 CYS 190 HB2 -0.13 0.15 -0.12 -0.04 2.97 2.83 1ot5A1 CYS 190 HB3 -0.19 -0.07 -0.09 -0.04 2.97 2.58 1ot5A1 ALA 191 H -0.42 0.31 0.03 -0.55 8.40 7.77 1ot5A1 ALA 191 HA -0.41 0.02 0.42 -0.75 4.34 3.62 1ot5A1 ALA 191 HB3 0.03 0.03 0.07 -0.04 1.41 1.49 1ot5A1 GLU 192 H -0.12 0.06 -0.27 -0.55 8.60 7.72 1ot5A1 GLU 192 HA 0.05 0.11 0.42 -0.75 4.29 4.11 1ot5A1 GLU 192 HB2 -0.05 -0.03 0.07 -0.04 2.09 2.04 1ot5A1 GLU 192 HB3 -0.02 0.04 -0.08 -0.04 1.99 1.88 1ot5A1 GLU 192 HG2 0.01 0.02 0.03 -0.04 2.34 2.36 1ot5A1 GLU 192 HG3 -0.02 -0.01 0.02 -0.04 2.34 2.30 1ot5A1 GLY 193 H -0.04 0.09 -0.17 -0.55 8.43 7.78 1ot5A1 GLY 193 HA2 0.09 0.05 0.42 -0.51 4.01 4.06 1ot5A1 GLY 193 HA3 0.04 -0.01 0.24 -0.51 4.01 3.77 1ot5A1 SER 194 H 0.16 0.27 -0.91 -0.55 8.46 7.42 1ot5A1 SER 194 HA 0.25 0.14 0.78 -0.75 4.49 4.90 1ot5A1 SER 194 HB2 0.12 0.12 0.13 -0.04 3.95 4.28 1ot5A1 SER 194 HB3 0.23 -0.01 0.23 -0.04 3.93 4.33 1ot5A1 TRP 195 H 0.12 0.61 0.42 -0.55 7.97 8.58 1ot5A1 TRP 195 HA -0.23 0.17 0.33 -0.75 4.62 4.13 1ot5A1 TRP 195 HB2 -1.18 0.33 -0.14 -0.04 3.23 2.19 1ot5A1 TRP 195 HB3 -0.96 -0.08 -0.18 -0.04 3.23 1.97 1ot5A1 TRP 195 HD1 -2.28 -0.10 -0.43 -0.04 7.22 4.37 1ot5A1 TRP 195 HE1 -0.71 0.06 -0.17 -0.04 10.20 9.34 1ot5A1 TRP 195 HE3 -0.13 0.22 0.15 -0.04 7.59 7.79 1ot5A1 TRP 195 HZ2 -0.15 -0.01 -0.07 -0.04 7.44 7.17 1ot5A1 TRP 195 HZ3 -0.03 0.02 0.03 -0.04 7.13 7.11 1ot5A1 TRP 195 HH2 -0.06 0.02 -0.10 -0.04 7.19 7.01 1ot5A1 ASP 196 H -1.66 0.11 -0.10 -0.55 8.40 6.21 1ot5A1 ASP 196 HA -0.15 0.03 1.00 -0.75 4.63 4.75 1ot5A1 ASP 196 HB2 -0.25 -0.05 -0.45 -0.04 2.71 1.93 1ot5A1 ASP 196 HB3 -0.49 -0.10 -0.04 -0.04 2.70 2.03 1ot5A1 PHE 197 H 0.23 0.38 0.14 -0.55 8.34 8.54 1ot5A1 PHE 197 HA 0.22 0.14 0.58 -0.75 4.62 4.80 1ot5A1 PHE 197 HB2 0.06 0.06 0.07 -0.04 3.15 3.30 1ot5A1 PHE 197 HB3 0.08 -0.07 -0.04 -0.04 3.06 2.99 1ot5A1 PHE 197 HD2 0.15 -0.01 -0.11 -0.04 7.28 7.27 1ot5A1 PHE 197 HE2 0.00 0.02 -0.12 -0.04 7.38 7.24 1ot5A1 PHE 197 HZ -0.07 0.08 -0.28 -0.04 7.32 7.01 1ot5A1 ASN 198 H 0.11 0.18 -0.01 -0.55 8.53 8.26 1ot5A1 ASN 198 HA 0.05 0.08 0.23 -0.75 4.76 4.36 1ot5A1 ASN 198 HB2 -0.01 -0.10 -0.02 -0.04 2.88 2.72 1ot5A1 ASN 198 HB3 -0.01 0.07 -0.27 -0.04 2.79 2.53 1ot5A1 ASN 198 HD21 -0.06 0.54 -0.48 -0.04 7.03 6.99 1ot5A1 ASN 198 HD22 -0.01 0.13 -0.32 -0.04 7.74 7.50 1ot5A1 ASP 199 H -0.03 0.00 -0.10 -0.55 8.40 7.72 1ot5A1 ASP 199 HA -0.02 0.09 0.72 -0.75 4.63 4.67 1ot5A1 ASP 199 HB2 -0.03 -0.07 0.01 -0.04 2.71 2.58 1ot5A1 ASP 199 HB3 -0.06 0.01 0.02 -0.04 2.70 2.63 1ot5A1 ASN 200 H -0.02 0.07 0.08 -0.55 8.53 8.11 1ot5A1 ASN 200 HA -0.03 0.00 0.29 -0.75 4.76 4.27 1ot5A1 ASN 200 HB2 -0.11 0.11 -0.41 -0.04 2.88 2.43 1ot5A1 ASN 200 HB3 -0.11 -0.06 0.06 -0.04 2.79 2.65 1ot5A1 ASN 200 HD21 -0.03 -0.01 -0.01 -0.04 7.03 6.93 1ot5A1 ASN 200 HD22 -0.06 0.04 -0.01 -0.04 7.74 7.66 1ot5A1 THR 201 H -0.11 0.21 0.09 -0.55 8.28 7.93 1ot5A1 THR 201 HA -0.32 0.39 0.76 -0.75 4.39 4.47 1ot5A1 THR 201 HB 0.48 0.00 0.05 -0.04 4.32 4.81 1ot5A1 THR 201 HG23 0.42 0.02 -0.04 -0.04 1.22 1.57 1ot5A1 ASN 202 H -1.54 0.04 0.05 -0.55 8.53 6.53 1ot5A1 ASN 202 HA -0.97 0.10 0.43 -0.75 4.76 3.57 1ot5A1 ASN 202 HB2 -0.28 0.01 0.05 -0.04 2.88 2.63 1ot5A1 ASN 202 HB3 -0.27 0.20 0.18 -0.04 2.79 2.85 1ot5A1 ASN 202 HD21 -0.16 0.07 -0.06 -0.04 7.03 6.85 1ot5A1 ASN 202 HD22 -0.16 0.02 0.02 -0.04 7.74 7.59 1ot5A1 LEU 203 H -0.36 0.28 0.11 -0.55 8.37 7.85 1ot5A1 LEU 203 HA -0.20 0.18 0.56 -0.75 4.35 4.13 1ot5A1 LEU 203 HB2 -0.11 0.18 0.03 -0.04 1.64 1.70 1ot5A1 LEU 203 HB3 -0.17 -0.04 -0.16 -0.04 1.64 1.23 1ot5A1 LEU 203 HG -0.05 -0.18 -0.29 -0.04 1.64 1.07 1ot5A1 LEU 203 HD13 -0.40 0.02 -0.01 -0.04 0.93 0.50 1ot5A1 LEU 203 HD23 -0.18 0.01 -0.04 -0.04 0.89 0.64 1ot5A1 PRO 204 HA 0.02 -0.02 0.22 -0.51 4.44 4.15 1ot5A1 PRO 204 HB2 0.30 0.08 0.03 -0.04 2.28 2.65 1ot5A1 PRO 204 HB3 0.18 -0.14 0.04 -0.04 2.02 2.06 1ot5A1 PRO 204 HG2 0.46 0.03 0.12 -0.04 2.03 2.60 1ot5A1 PRO 204 HG3 0.17 0.29 0.15 -0.04 2.03 2.61 1ot5A1 PRO 204 HD2 0.14 0.16 0.09 -0.04 3.68 4.03 1ot5A1 PRO 204 HD3 0.03 0.22 0.12 -0.04 3.65 3.98 1ot5A1 LYS 205 H 0.33 0.15 -0.17 -0.55 8.42 8.17 1ot5A1 LYS 205 HA -0.21 -0.05 0.34 -0.75 4.32 3.65 1ot5A1 LYS 205 HB2 0.13 -0.03 0.10 -0.04 1.87 2.04 1ot5A1 LYS 205 HB3 0.00 0.04 0.09 -0.04 1.79 1.88 1ot5A1 LYS 205 HG2 -0.06 0.02 -0.14 -0.04 1.46 1.24 1ot5A1 LYS 205 HG3 -0.16 0.09 -0.04 -0.04 1.46 1.31 1ot5A1 LYS 205 HD2 -0.22 -0.08 0.02 -0.04 1.69 1.37 1ot5A1 LYS 205 HD3 0.01 0.01 -0.00 -0.04 1.68 1.66 1ot5A1 LYS 205 HE2 -0.06 0.02 -0.01 -0.04 2.99 2.90 1ot5A1 LYS 205 HE3 -0.13 -0.01 0.01 -0.04 2.99 2.82 1ot5A1 PRO 206 HA -0.04 0.06 0.62 -0.51 4.44 4.57 1ot5A1 PRO 206 HB2 -0.06 -0.01 0.06 -0.04 2.28 2.23 1ot5A1 PRO 206 HB3 -0.03 0.25 0.16 -0.04 2.02 2.36 1ot5A1 PRO 206 HG2 -0.08 -0.10 -0.05 -0.04 2.03 1.76 1ot5A1 PRO 206 HG3 -0.04 -0.07 -0.13 -0.04 2.03 1.75 1ot5A1 PRO 206 HD2 -0.21 0.06 0.14 -0.04 3.68 3.63 1ot5A1 PRO 206 HD3 -0.18 0.12 -0.19 -0.04 3.65 3.36 1ot5A1 ARG 207 H -0.04 -0.05 0.29 -0.55 8.46 8.11 1ot5A1 ARG 207 HA -0.04 0.26 1.01 -0.75 4.34 4.82 1ot5A1 ARG 207 HB2 -0.04 -0.08 0.12 -0.04 1.90 1.86 1ot5A1 ARG 207 HB3 -0.03 0.00 0.02 -0.04 1.80 1.75 1ot5A1 ARG 207 HG2 -0.04 0.07 -0.23 -0.04 1.67 1.42 1ot5A1 ARG 207 HG3 -0.04 0.17 -0.11 -0.04 1.67 1.64 1ot5A1 ARG 207 HD2 -0.04 -0.06 -0.03 -0.04 3.22 3.04 1ot5A1 ARG 207 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.08 1ot5A1 LEU 208 H -0.04 -0.03 0.22 -0.55 8.37 7.98 1ot5A1 LEU 208 HA -0.02 0.21 0.61 -0.75 4.35 4.39 1ot5A1 LEU 208 HB2 -0.05 -0.09 0.11 -0.04 1.64 1.58 1ot5A1 LEU 208 HB3 -0.03 -0.05 0.14 -0.04 1.64 1.65 1ot5A1 LEU 208 HG -0.04 -0.02 0.12 -0.04 1.64 1.66 1ot5A1 LEU 208 HD13 -0.04 0.03 0.06 -0.04 0.93 0.94 1ot5A1 LEU 208 HD23 -0.03 0.04 0.02 -0.04 0.89 0.88 1ot5A1 SER 209 H -0.01 0.20 0.17 -0.55 8.46 8.27 1ot5A1 SER 209 HA 0.02 0.17 0.38 -0.75 4.49 4.31 1ot5A1 SER 209 HB2 0.03 0.04 0.09 -0.04 3.95 4.08 1ot5A1 SER 209 HB3 0.01 0.07 0.12 -0.04 3.93 4.08 1ot5A1 ASP 210 H -0.04 0.04 -0.31 -0.55 8.40 7.54 1ot5A1 ASP 210 HA 0.00 0.28 0.88 -0.75 4.63 5.04 1ot5A1 ASP 210 HB2 -0.16 0.02 0.15 -0.04 2.71 2.68 1ot5A1 ASP 210 HB3 -0.02 0.04 -0.02 -0.04 2.70 2.66 1ot5A1 ASP 211 H -0.06 0.45 -0.46 -0.55 8.40 7.78 1ot5A1 ASP 211 HA -0.14 0.04 0.56 -0.75 4.63 4.34 1ot5A1 ASP 211 HB2 -0.04 0.26 0.17 -0.04 2.71 3.07 1ot5A1 ASP 211 HB3 -0.04 0.10 0.27 -0.04 2.70 2.99 1ot5A1 TYR 212 H -0.59 0.45 -0.21 -0.55 8.29 7.38 1ot5A1 TYR 212 HA -0.01 0.19 0.89 -0.75 4.56 4.89 1ot5A1 TYR 212 HB2 -0.02 -0.08 0.05 -0.04 3.06 2.97 1ot5A1 TYR 212 HB3 -0.01 0.09 -0.15 -0.04 2.98 2.87 1ot5A1 TYR 212 HD2 0.02 0.05 -0.29 -0.04 7.15 6.88 1ot5A1 TYR 212 HE2 0.07 0.02 0.00 -0.04 6.85 6.90 1ot5A1 HIS 213 H -0.14 0.16 0.12 -0.55 8.41 8.00 1ot5A1 HIS 213 HA 0.16 0.12 0.38 -0.75 4.63 4.53 1ot5A1 HIS 213 HB2 -0.14 0.08 0.21 -0.04 3.26 3.38 1ot5A1 HIS 213 HB3 -0.00 -0.14 0.15 -0.04 3.20 3.16 1ot5A1 HIS 213 HD2 0.19 -0.01 0.06 -0.04 6.97 7.17 1ot5A1 HIS 213 HE1 0.15 0.20 0.17 -0.04 7.75 8.22 1ot5A1 GLY 214 H 0.11 0.01 -0.15 -0.55 8.43 7.85 1ot5A1 GLY 214 HA2 0.07 0.08 0.35 -0.51 4.01 4.01 1ot5A1 GLY 214 HA3 0.09 0.31 0.29 -0.51 4.01 4.19 1ot5A1 THR 215 H 0.04 0.10 -0.52 -0.55 8.28 7.35 1ot5A1 THR 215 HA 0.03 0.04 0.37 -0.75 4.39 4.08 1ot5A1 THR 215 HB 0.04 0.15 -0.02 -0.04 4.32 4.45 1ot5A1 THR 215 HG23 0.01 0.04 -0.40 -0.04 1.22 0.82 1ot5A1 ARG 216 H -0.06 0.46 -0.11 -0.55 8.46 8.20 1ot5A1 ARG 216 HA -0.16 0.30 0.47 -0.75 4.34 4.20 1ot5A1 ARG 216 HB2 -0.57 0.10 0.15 -0.04 1.90 1.54 1ot5A1 ARG 216 HB3 -1.02 -0.06 0.00 -0.04 1.80 0.68 1ot5A1 ARG 216 HG2 -0.19 0.19 0.08 -0.04 1.67 1.71 1ot5A1 ARG 216 HG3 -0.04 0.10 0.07 -0.04 1.67 1.75 1ot5A1 ARG 216 HD2 0.03 -0.03 -0.06 -0.04 3.22 3.11 1ot5A1 ARG 216 HD3 -0.24 -0.06 -0.04 -0.04 3.22 2.84 1ot5A1 CYS 217 H -0.13 0.42 -0.15 -0.55 8.50 8.09 1ot5A1 CYS 217 HA 0.03 0.06 0.40 -0.75 4.58 4.32 1ot5A1 CYS 217 HB2 0.01 0.02 0.11 -0.04 2.97 3.07 1ot5A1 CYS 217 HB3 0.04 -0.00 -0.03 -0.04 2.97 2.93 1ot5A1 ALA 218 H 0.02 0.56 -0.17 -0.55 8.40 8.26 1ot5A1 ALA 218 HA 0.07 0.07 0.31 -0.75 4.34 4.04 1ot5A1 ALA 218 HB3 0.08 0.02 -0.00 -0.04 1.41 1.47 1ot5A1 GLY 219 H 0.02 0.50 -0.31 -0.55 8.43 8.10 1ot5A1 GLY 219 HA2 0.07 0.05 0.23 -0.51 4.01 3.85 1ot5A1 GLY 219 HA3 0.04 -0.11 0.25 -0.51 4.01 3.67 1ot5A1 GLU 220 H 0.03 0.37 -0.37 -0.55 8.60 8.09 1ot5A1 GLU 220 HA 0.10 0.02 0.36 -0.75 4.29 4.02 1ot5A1 GLU 220 HB2 0.05 0.23 0.07 -0.04 2.09 2.40 1ot5A1 GLU 220 HB3 0.03 -0.05 -0.12 -0.04 1.99 1.82 1ot5A1 GLU 220 HG2 -0.00 -0.04 -0.05 -0.04 2.34 2.20 1ot5A1 GLU 220 HG3 0.04 0.20 0.04 -0.04 2.34 2.58 1ot5A1 ILE 221 H 0.07 0.31 -0.39 -0.55 8.25 7.68 1ot5A1 ILE 221 HA 0.08 0.00 0.58 -0.75 4.18 4.10 1ot5A1 ILE 221 HB 0.07 0.08 0.07 -0.04 1.89 2.06 1ot5A1 ILE 221 HG12 0.05 0.13 -0.04 -0.04 1.49 1.59 1ot5A1 ILE 221 HG13 0.05 0.05 -0.04 -0.04 1.21 1.23 1ot5A1 ILE 221 HG23 0.06 0.01 -0.25 -0.04 0.93 0.71 1ot5A1 ILE 221 HD13 0.05 -0.04 -0.15 -0.04 0.88 0.70 1ot5A1 ALA 222 H 0.09 0.54 -0.04 -0.55 8.40 8.44 1ot5A1 ALA 222 HA 0.11 0.12 0.46 -0.75 4.34 4.27 1ot5A1 ALA 222 HB3 0.07 0.03 -0.12 -0.04 1.41 1.35 1ot5A1 ALA 223 H 0.11 0.27 -0.06 -0.55 8.40 8.17 1ot5A1 ALA 223 HA 0.09 0.18 0.50 -0.75 4.34 4.36 1ot5A1 ALA 223 HB3 0.09 -0.07 -0.07 -0.04 1.41 1.31 1ot5A1 LYS 224 H 0.08 0.40 0.37 -0.55 8.42 8.72 1ot5A1 LYS 224 HA 0.04 0.16 0.46 -0.75 4.32 4.22 1ot5A1 LYS 224 HB2 0.05 0.01 0.16 -0.04 1.87 2.05 1ot5A1 LYS 224 HB3 0.06 -0.13 0.13 -0.04 1.79 1.81 1ot5A1 LYS 224 HG2 0.01 -0.04 -0.04 -0.04 1.46 1.35 1ot5A1 LYS 224 HG3 -0.02 0.05 -0.23 -0.04 1.46 1.21 1ot5A1 LYS 224 HD2 0.01 0.07 0.11 -0.04 1.69 1.85 1ot5A1 LYS 224 HD3 0.03 -0.06 0.02 -0.04 1.68 1.63 1ot5A1 LYS 224 HE2 -0.00 -0.07 -0.02 -0.04 2.99 2.86 1ot5A1 LYS 224 HE3 -0.02 0.09 0.00 -0.04 2.99 3.02 1ot5A1 LYS 225 H -0.12 0.25 0.25 -0.55 8.42 8.24 1ot5A1 LYS 225 HA -0.22 0.10 0.94 -0.75 4.32 4.38 1ot5A1 LYS 225 HB2 -0.79 0.03 0.11 -0.04 1.87 1.18 1ot5A1 LYS 225 HB3 -0.74 0.06 0.15 -0.04 1.79 1.22 1ot5A1 LYS 225 HG2 -0.47 0.08 -0.19 -0.04 1.46 0.83 1ot5A1 LYS 225 HG3 -0.60 -0.13 0.04 -0.04 1.46 0.73 1ot5A1 LYS 225 HD2 -0.89 -0.09 -0.06 -0.04 1.69 0.61 1ot5A1 LYS 225 HD3 -2.11 -0.00 -0.01 -0.04 1.68 -0.48 1ot5A1 LYS 225 HE2 -0.43 0.46 -0.03 -0.04 2.99 2.95 1ot5A1 LYS 225 HE3 -0.59 -0.05 -0.00 -0.04 2.99 2.31 1ot5A1 GLY 226 H -0.17 0.02 0.21 -0.55 8.43 7.94 1ot5A1 GLY 226 HA2 -0.12 -0.17 0.48 -0.51 4.01 3.70 1ot5A1 GLY 226 HA3 -0.14 0.31 0.61 -0.51 4.01 4.28 1ot5A1 ASN 227 H -0.02 0.15 -0.20 -0.55 8.53 7.91 1ot5A1 ASN 227 HA -0.01 0.28 0.81 -0.75 4.76 5.09 1ot5A1 ASN 227 HB2 0.01 0.01 0.11 -0.04 2.88 2.96 1ot5A1 ASN 227 HB3 -0.00 0.08 -0.10 -0.04 2.79 2.73 1ot5A1 ASN 227 HD21 0.18 -0.09 -0.17 -0.04 7.03 6.90 1ot5A1 ASN 227 HD22 0.03 0.13 -0.04 -0.04 7.74 7.81 1ot5A1 ASN 228 H -0.00 0.00 -0.45 -0.55 8.53 7.53 1ot5A1 ASN 228 HA 0.02 0.13 0.03 -0.75 4.76 4.18 1ot5A1 ASN 228 HB2 0.01 0.00 -0.16 -0.04 2.88 2.69 1ot5A1 ASN 228 HB3 0.04 0.11 -0.03 -0.04 2.79 2.87 1ot5A1 ASN 228 HD21 0.03 -0.03 0.06 -0.04 7.03 7.05 1ot5A1 ASN 228 HD22 0.04 0.00 0.08 -0.04 7.74 7.82 1ot5A1 PHE 229 H 0.12 0.05 -0.44 -0.55 8.34 7.51 1ot5A1 PHE 229 HA -0.00 0.14 0.88 -0.75 4.62 4.89 1ot5A1 PHE 229 HB2 -0.01 0.22 -0.19 -0.04 3.15 3.13 1ot5A1 PHE 229 HB3 -0.01 -0.01 -0.13 -0.04 3.06 2.86 1ot5A1 PHE 229 HD2 -0.00 0.07 -0.08 -0.04 7.28 7.23 1ot5A1 PHE 229 HE2 -0.01 -0.02 0.00 -0.04 7.38 7.31 1ot5A1 PHE 229 HZ -0.01 0.07 -0.09 -0.04 7.32 7.24 1ot5A1 CYS 230 H -0.74 0.15 0.07 -0.55 8.50 7.44 1ot5A1 CYS 230 HA -0.28 -0.00 0.27 -0.75 4.58 3.82 1ot5A1 CYS 230 HB2 -0.36 0.06 -0.08 -0.04 2.97 2.55 1ot5A1 CYS 230 HB3 -0.20 -0.02 0.03 -0.04 2.97 2.73 1ot5A1 GLY 231 H -0.06 0.02 -0.01 -0.55 8.43 7.83 1ot5A1 GLY 231 HA2 0.05 0.04 0.76 -0.51 4.01 4.36 1ot5A1 GLY 231 HA3 0.06 0.02 0.24 -0.51 4.01 3.82 1ot5A1 VAL 232 H 0.15 0.23 0.13 -0.55 8.24 8.20 1ot5A1 VAL 232 HA 0.02 0.32 0.55 -0.75 4.13 4.27 1ot5A1 VAL 232 HB -0.19 -0.02 -0.02 -0.04 2.12 1.85 1ot5A1 VAL 232 HG13 0.11 -0.05 -0.02 -0.04 0.97 0.97 1ot5A1 VAL 232 HG23 -0.22 0.04 -0.12 -0.04 0.95 0.61 1ot5A1 GLY 233 H 0.14 0.54 0.08 -0.55 8.43 8.64 1ot5A1 GLY 233 HA2 0.21 0.18 0.59 -0.51 4.01 4.48 1ot5A1 GLY 233 HA3 0.17 -0.12 -0.08 -0.51 4.01 3.47 1ot5A1 VAL 234 H 0.21 0.56 0.24 -0.55 8.24 8.70 1ot5A1 VAL 234 HA 0.44 -0.03 0.39 -0.75 4.13 4.17 1ot5A1 VAL 234 HB 0.12 -0.01 0.15 -0.04 2.12 2.33 1ot5A1 VAL 234 HG13 0.05 -0.01 -0.23 -0.04 0.97 0.75 1ot5A1 VAL 234 HG23 0.14 0.05 0.12 -0.04 0.95 1.21 1ot5A1 GLY 235 H 0.13 0.61 -0.01 -0.55 8.43 8.61 1ot5A1 GLY 235 HA2 -0.00 0.13 0.73 -0.51 4.01 4.36 1ot5A1 GLY 235 HA3 0.03 -0.02 0.29 -0.51 4.01 3.80 1ot5A1 TYR 236 H -0.22 0.29 -0.26 -0.55 8.29 7.55 1ot5A1 TYR 236 HA 0.01 0.01 0.18 -0.75 4.56 4.00 1ot5A1 TYR 236 HB2 -0.12 -0.11 0.15 -0.04 3.06 2.94 1ot5A1 TYR 236 HB3 -0.13 0.00 0.08 -0.04 2.98 2.90 1ot5A1 TYR 236 HD2 -0.41 0.11 -0.15 -0.04 7.15 6.66 1ot5A1 TYR 236 HE2 -1.66 -0.02 -0.04 -0.04 6.85 5.09 1ot5A1 ASN 237 H -0.17 0.40 -0.59 -0.55 8.53 7.61 1ot5A1 ASN 237 HA 0.05 0.17 0.84 -0.75 4.76 5.08 1ot5A1 ASN 237 HB2 -0.12 0.01 -0.16 -0.04 2.88 2.57 1ot5A1 ASN 237 HB3 -0.01 -0.09 0.07 -0.04 2.79 2.72 1ot5A1 ASN 237 HD21 0.16 -0.04 -0.06 -0.04 7.03 7.04 1ot5A1 ASN 237 HD22 0.11 0.20 0.07 -0.04 7.74 8.09 1ot5A1 ALA 238 H 0.01 0.51 -0.00 -0.55 8.40 8.37 1ot5A1 ALA 238 HA 0.00 0.20 0.80 -0.75 4.34 4.59 1ot5A1 ALA 238 HB3 0.02 -0.03 0.10 -0.04 1.41 1.45 1ot5A1 LYS 239 H 0.00 0.64 0.42 -0.55 8.42 8.93 1ot5A1 LYS 239 HA 0.02 0.33 0.89 -0.75 4.32 4.81 1ot5A1 LYS 239 HB2 -0.02 -0.05 0.13 -0.04 1.87 1.89 1ot5A1 LYS 239 HB3 -0.03 -0.08 -0.00 -0.04 1.79 1.63 1ot5A1 LYS 239 HG2 0.00 0.00 -0.04 -0.04 1.46 1.38 1ot5A1 LYS 239 HG3 -0.02 -0.08 -0.04 -0.04 1.46 1.28 1ot5A1 LYS 239 HD2 -0.01 -0.00 -0.15 -0.04 1.69 1.48 1ot5A1 LYS 239 HD3 0.02 0.11 -0.03 -0.04 1.68 1.73 1ot5A1 LYS 239 HE2 0.01 0.06 -0.02 -0.04 2.99 3.01 1ot5A1 LYS 239 HE3 0.01 0.01 -0.06 -0.04 2.99 2.91 1ot5A1 ILE 240 H 0.04 0.62 0.22 -0.55 8.25 8.58 1ot5A1 ILE 240 HA 0.03 0.39 1.13 -0.75 4.18 4.98 1ot5A1 ILE 240 HB 0.12 -0.08 -0.07 -0.04 1.89 1.81 1ot5A1 ILE 240 HG12 0.11 0.18 -0.11 -0.04 1.49 1.63 1ot5A1 ILE 240 HG13 0.20 -0.13 -0.04 -0.04 1.21 1.19 1ot5A1 ILE 240 HG23 0.07 0.02 -0.20 -0.04 0.93 0.78 1ot5A1 ILE 240 HD13 0.13 -0.03 -0.18 -0.04 0.88 0.76 1ot5A1 SER 241 H 0.03 0.47 0.22 -0.55 8.46 8.64 1ot5A1 SER 241 HA -0.06 0.13 0.87 -0.75 4.49 4.67 1ot5A1 SER 241 HB2 0.05 0.02 -0.55 -0.04 3.95 3.43 1ot5A1 SER 241 HB3 -0.07 -0.03 -0.14 -0.04 3.93 3.66 1ot5A1 GLY 242 H 0.24 0.21 0.11 -0.55 8.43 8.45 1ot5A1 GLY 242 HA2 0.19 0.23 0.97 -0.51 4.01 4.89 1ot5A1 GLY 242 HA3 0.24 -0.07 0.22 -0.51 4.01 3.89 1ot5A1 ILE 243 H 0.21 0.56 0.12 -0.55 8.25 8.59 1ot5A1 ILE 243 HA 0.22 0.34 1.01 -0.75 4.18 5.00 1ot5A1 ILE 243 HB 0.32 -0.08 0.09 -0.04 1.89 2.17 1ot5A1 ILE 243 HG12 0.40 0.06 -0.14 -0.04 1.49 1.77 1ot5A1 ILE 243 HG13 0.31 -0.16 -0.39 -0.04 1.21 0.93 1ot5A1 ILE 243 HG23 0.44 0.03 -0.10 -0.04 0.93 1.26 1ot5A1 ILE 243 HD13 0.54 0.07 -0.09 -0.04 0.88 1.36 1ot5A1 ARG 244 H 0.11 0.60 0.26 -0.55 8.46 8.88 1ot5A1 ARG 244 HA 0.07 0.07 0.69 -0.75 4.34 4.41 1ot5A1 ARG 244 HB2 0.03 0.04 -0.02 -0.04 1.90 1.92 1ot5A1 ARG 244 HB3 0.00 -0.04 0.21 -0.04 1.80 1.93 1ot5A1 ARG 244 HG2 -0.00 -0.12 -0.18 -0.04 1.67 1.33 1ot5A1 ARG 244 HG3 0.00 -0.17 -0.27 -0.04 1.67 1.19 1ot5A1 ARG 244 HD2 -0.01 0.12 -0.17 -0.04 3.22 3.12 1ot5A1 ARG 244 HD3 -0.04 0.06 -0.12 -0.04 3.22 3.08 1ot5A1 ILE 245 H -0.02 0.51 0.43 -0.55 8.25 8.62 1ot5A1 ILE 245 HA 0.03 0.11 0.85 -0.75 4.18 4.42 1ot5A1 ILE 245 HB -0.17 -0.01 0.01 -0.04 1.89 1.68 1ot5A1 ILE 245 HG12 -0.16 0.06 -0.05 -0.04 1.49 1.30 1ot5A1 ILE 245 HG13 -0.46 -0.00 -0.33 -0.04 1.21 0.38 1ot5A1 ILE 245 HG23 0.04 0.01 -0.34 -0.04 0.93 0.60 1ot5A1 ILE 245 HD13 -0.45 0.01 -0.14 -0.04 0.88 0.26 1ot5A1 LEU 246 H -0.11 0.36 0.26 -0.55 8.37 8.33 1ot5A1 LEU 246 HA -0.22 0.27 0.71 -0.75 4.35 4.36 1ot5A1 LEU 246 HB2 -0.11 -0.13 -0.26 -0.04 1.64 1.10 1ot5A1 LEU 246 HB3 -0.16 0.03 0.08 -0.04 1.64 1.54 1ot5A1 LEU 246 HG -0.33 0.06 -0.12 -0.04 1.64 1.21 1ot5A1 LEU 246 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.78 1ot5A1 LEU 246 HD23 -0.79 0.03 -0.15 -0.04 0.89 -0.06 1ot5A1 SER 247 H -0.06 0.06 -0.22 -0.55 8.46 7.69 1ot5A1 SER 247 HA -0.07 0.15 0.64 -0.75 4.49 4.45 1ot5A1 SER 247 HB2 -0.04 0.00 0.02 -0.04 3.95 3.90 1ot5A1 SER 247 HB3 -0.04 0.01 0.20 -0.04 3.93 4.05 1ot5A1 GLY 248 H -0.07 0.29 -0.58 -0.55 8.43 7.52 1ot5A1 GLY 248 HA2 -0.04 0.02 0.27 -0.51 4.01 3.75 1ot5A1 GLY 248 HA3 -0.03 0.12 0.35 -0.51 4.01 3.94 1ot5A1 ASP 249 H -0.02 0.11 0.11 -0.55 8.40 8.05 1ot5A1 ASP 249 HA -0.04 0.03 0.48 -0.75 4.63 4.35 1ot5A1 ASP 249 HB2 -0.01 0.01 0.11 -0.04 2.71 2.78 1ot5A1 ASP 249 HB3 -0.01 0.02 -0.01 -0.04 2.70 2.66 1ot5A1 ILE 250 H -0.04 0.19 0.22 -0.55 8.25 8.08 1ot5A1 ILE 250 HA -0.00 0.19 0.81 -0.75 4.18 4.42 1ot5A1 ILE 250 HB -0.09 -0.02 0.03 -0.04 1.89 1.78 1ot5A1 ILE 250 HG12 -0.05 0.18 -0.50 -0.04 1.49 1.08 1ot5A1 ILE 250 HG13 -0.06 -0.02 -0.05 -0.04 1.21 1.04 1ot5A1 ILE 250 HG23 -0.08 0.04 -0.15 -0.04 0.93 0.69 1ot5A1 ILE 250 HD13 0.05 -0.00 -0.15 -0.04 0.88 0.74 1ot5A1 THR 251 H 0.00 0.16 0.15 -0.55 8.28 8.04 1ot5A1 THR 251 HA -0.00 0.20 0.62 -0.75 4.39 4.46 1ot5A1 THR 251 HB 0.00 -0.04 0.17 -0.04 4.32 4.42 1ot5A1 THR 251 HG23 0.01 0.07 0.03 -0.04 1.22 1.30 1ot5A1 THR 252 H -0.00 0.25 0.19 -0.55 8.28 8.17 1ot5A1 THR 252 HA -0.00 0.12 0.42 -0.75 4.39 4.17 1ot5A1 THR 252 HB 0.00 -0.08 0.10 -0.04 4.32 4.30 1ot5A1 THR 252 HG23 0.02 0.03 0.10 -0.04 1.22 1.33 1ot5A1 GLU 253 H -0.01 0.04 -0.32 -0.55 8.60 7.76 1ot5A1 GLU 253 HA -0.02 0.12 0.36 -0.75 4.29 3.99 1ot5A1 GLU 253 HB2 0.01 0.04 -0.02 -0.04 2.09 2.08 1ot5A1 GLU 253 HB3 0.00 0.11 0.01 -0.04 1.99 2.08 1ot5A1 GLU 253 HG2 0.00 -0.19 0.07 -0.04 2.34 2.19 1ot5A1 GLU 253 HG3 0.01 0.11 0.02 -0.04 2.34 2.45 1ot5A1 ASP 254 H -0.03 0.05 -0.18 -0.55 8.40 7.69 1ot5A1 ASP 254 HA -0.17 0.12 0.39 -0.75 4.63 4.22 1ot5A1 ASP 254 HB2 -0.05 -0.05 0.10 -0.04 2.71 2.67 1ot5A1 ASP 254 HB3 -0.18 0.06 -0.05 -0.04 2.70 2.49 1ot5A1 GLU 255 H -0.10 0.40 -0.29 -0.55 8.60 8.07 1ot5A1 GLU 255 HA -0.18 0.07 0.31 -0.75 4.29 3.74 1ot5A1 GLU 255 HB2 -0.05 0.08 -0.00 -0.04 2.09 2.08 1ot5A1 GLU 255 HB3 -0.00 -0.02 0.04 -0.04 1.99 1.97 1ot5A1 GLU 255 HG2 0.07 0.03 -0.09 -0.04 2.34 2.31 1ot5A1 GLU 255 HG3 -0.10 0.03 -0.06 -0.04 2.34 2.16 1ot5A1 ALA 256 H -0.06 0.46 -0.26 -0.55 8.40 7.99 1ot5A1 ALA 256 HA -0.03 0.01 0.33 -0.75 4.34 3.90 1ot5A1 ALA 256 HB3 -0.04 0.02 -0.07 -0.04 1.41 1.28 1ot5A1 ALA 257 H -0.11 0.46 -0.21 -0.55 8.40 7.99 1ot5A1 ALA 257 HA 0.00 0.05 0.31 -0.75 4.34 3.95 1ot5A1 ALA 257 HB3 -0.01 0.00 0.03 -0.04 1.41 1.39 1ot5A1 SER 258 H -0.35 0.44 -0.46 -0.55 8.46 7.54 1ot5A1 SER 258 HA 0.12 0.02 0.39 -0.75 4.49 4.27 1ot5A1 SER 258 HB2 -0.02 -0.10 -0.05 -0.04 3.95 3.74 1ot5A1 SER 258 HB3 -0.82 0.09 0.04 -0.04 3.93 3.20 1ot5A1 LEU 259 H -0.02 0.38 -0.24 -0.55 8.37 7.95 1ot5A1 LEU 259 HA -0.04 0.09 0.48 -0.75 4.35 4.12 1ot5A1 LEU 259 HB2 -0.03 0.06 0.03 -0.04 1.64 1.67 1ot5A1 LEU 259 HB3 -0.09 0.00 0.01 -0.04 1.64 1.53 1ot5A1 LEU 259 HG 0.19 0.05 -0.05 -0.04 1.64 1.79 1ot5A1 LEU 259 HD13 0.20 -0.03 -0.07 -0.04 0.93 0.99 1ot5A1 LEU 259 HD23 0.36 0.00 -0.08 -0.04 0.89 1.13 1ot5A1 ILE 260 H 0.03 0.20 -0.54 -0.55 8.25 7.40 1ot5A1 ILE 260 HA -0.02 0.25 0.80 -0.75 4.18 4.46 1ot5A1 ILE 260 HB 0.02 -0.07 0.09 -0.04 1.89 1.89 1ot5A1 ILE 260 HG12 -0.00 0.16 -0.04 -0.04 1.49 1.56 1ot5A1 ILE 260 HG13 0.04 0.06 -0.21 -0.04 1.21 1.07 1ot5A1 ILE 260 HG23 -0.01 -0.03 -0.16 -0.04 0.93 0.69 1ot5A1 ILE 260 HD13 -0.01 -0.04 -0.08 -0.04 0.88 0.71 1ot5A1 TYR 261 H 0.27 0.16 -0.25 -0.55 8.29 7.91 1ot5A1 TYR 261 HA 0.10 -0.04 0.44 -0.75 4.56 4.31 1ot5A1 TYR 261 HB2 0.34 0.07 0.08 -0.04 3.06 3.50 1ot5A1 TYR 261 HB3 0.33 0.05 0.02 -0.04 2.98 3.34 1ot5A1 TYR 261 HD2 0.09 0.05 -0.25 -0.04 7.15 6.99 1ot5A1 TYR 261 HE2 -0.17 0.06 -0.22 -0.04 6.85 6.48 1ot5A1 GLY 262 H -0.86 0.11 0.18 -0.55 8.43 7.32 1ot5A1 GLY 262 HA2 -0.38 0.01 0.34 -0.51 4.01 3.47 1ot5A1 GLY 262 HA3 -0.19 0.12 0.43 -0.51 4.01 3.86 1ot5A1 LEU 263 H -0.06 0.30 -0.14 -0.55 8.37 7.92 1ot5A1 LEU 263 HA 0.12 0.15 0.21 -0.75 4.35 4.08 1ot5A1 LEU 263 HB2 0.04 0.30 0.12 -0.04 1.64 2.07 1ot5A1 LEU 263 HB3 0.00 -0.06 -0.04 -0.04 1.64 1.50 1ot5A1 LEU 263 HG 0.04 -0.05 0.03 -0.04 1.64 1.63 1ot5A1 LEU 263 HD13 0.15 0.03 0.09 -0.04 0.93 1.16 1ot5A1 LEU 263 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.74 1ot5A1 ASP 264 H -0.07 -0.10 -0.74 -0.55 8.40 6.94 1ot5A1 ASP 264 HA -0.02 0.16 0.62 -0.75 4.63 4.65 1ot5A1 ASP 264 HB2 -0.06 -0.09 -0.00 -0.04 2.71 2.51 1ot5A1 ASP 264 HB3 -0.03 0.04 -0.05 -0.04 2.70 2.62 1ot5A1 VAL 265 H -0.05 0.43 0.00 -0.55 8.24 8.07 1ot5A1 VAL 265 HA -0.03 0.28 1.01 -0.75 4.13 4.63 1ot5A1 VAL 265 HB -0.04 -0.02 -0.09 -0.04 2.12 1.93 1ot5A1 VAL 265 HG13 -0.05 -0.04 -0.02 -0.04 0.97 0.82 1ot5A1 VAL 265 HG23 -0.04 -0.02 -0.10 -0.04 0.95 0.75 1ot5A1 ASN 266 H -0.06 0.52 0.12 -0.55 8.53 8.57 1ot5A1 ASN 266 HA -0.13 0.01 0.57 -0.75 4.76 4.46 1ot5A1 ASN 266 HB2 -0.23 0.07 -0.05 -0.04 2.88 2.62 1ot5A1 ASN 266 HB3 -0.60 0.02 -0.12 -0.04 2.79 2.05 1ot5A1 ASN 266 HD21 0.17 0.24 0.06 -0.04 7.03 7.45 1ot5A1 ASN 266 HD22 0.15 0.34 0.01 -0.04 7.74 8.20 1ot5A1 ASP 267 H -0.12 0.51 0.41 -0.55 8.40 8.66 1ot5A1 ASP 267 HA -0.06 0.09 0.67 -0.75 4.63 4.59 1ot5A1 ASP 267 HB2 -0.04 0.05 0.23 -0.04 2.71 2.92 1ot5A1 ASP 267 HB3 -0.01 0.03 0.08 -0.04 2.70 2.75 1ot5A1 ILE 268 H -0.18 0.32 0.35 -0.55 8.25 8.19 1ot5A1 ILE 268 HA -0.11 0.24 1.04 -0.75 4.18 4.60 1ot5A1 ILE 268 HB -0.02 -0.08 0.08 -0.04 1.89 1.83 1ot5A1 ILE 268 HG12 0.05 0.05 -0.08 -0.04 1.49 1.46 1ot5A1 ILE 268 HG13 -0.01 -0.06 -0.58 -0.04 1.21 0.52 1ot5A1 ILE 268 HG23 0.08 0.00 -0.16 -0.04 0.93 0.81 1ot5A1 ILE 268 HD13 0.10 0.03 -0.24 -0.04 0.88 0.74 1ot5A1 TYR 269 H -0.00 0.84 0.32 -0.55 8.29 8.89 1ot5A1 TYR 269 HA 0.04 0.18 1.00 -0.75 4.56 5.02 1ot5A1 TYR 269 HB2 -0.20 0.00 0.14 -0.04 3.06 2.96 1ot5A1 TYR 269 HB3 0.15 -0.07 -0.02 -0.04 2.98 3.00 1ot5A1 TYR 269 HD2 -0.25 -0.06 -0.17 -0.04 7.15 6.63 1ot5A1 TYR 269 HE2 0.05 0.03 -0.15 -0.04 6.85 6.73 1ot5A1 SER 270 H 0.10 0.77 0.30 -0.55 8.46 9.09 1ot5A1 SER 270 HA 0.01 0.15 0.79 -0.75 4.49 4.69 1ot5A1 SER 270 HB2 0.05 0.04 -0.04 -0.04 3.95 3.97 1ot5A1 SER 270 HB3 0.07 -0.06 0.13 -0.04 3.93 4.03 1ot5A1 CYS 271 H -0.31 0.96 0.36 -0.55 8.50 8.97 1ot5A1 CYS 271 HA -0.13 0.20 1.09 -0.75 4.58 4.98 1ot5A1 CYS 271 HB2 -2.48 0.05 0.22 -0.04 2.97 0.72 1ot5A1 CYS 271 HB3 -2.09 -0.07 0.05 -0.04 2.97 0.81 1ot5A1 SER 272 H 0.11 0.26 0.05 -0.55 8.46 8.33 1ot5A1 SER 272 HA -0.00 0.06 0.82 -0.75 4.49 4.61 1ot5A1 SER 272 HB2 0.30 -0.03 0.20 -0.04 3.95 4.39 1ot5A1 SER 272 HB3 0.30 -0.12 0.29 -0.04 3.93 4.36 1ot5A1 TRP 273 H -0.43 0.50 -0.25 -0.55 7.97 7.24 1ot5A1 TRP 273 HA 0.03 0.05 0.49 -0.75 4.62 4.44 1ot5A1 TRP 273 HB2 -0.03 -0.04 0.09 -0.04 3.23 3.21 1ot5A1 TRP 273 HB3 -0.01 0.07 -0.04 -0.04 3.23 3.21 1ot5A1 TRP 273 HD1 0.03 -0.06 -0.14 -0.04 7.22 7.02 1ot5A1 TRP 273 HE1 -0.01 0.23 0.06 -0.04 10.20 10.43 1ot5A1 TRP 273 HE3 -0.16 -0.01 -0.35 -0.04 7.59 7.03 1ot5A1 TRP 273 HZ2 0.07 0.06 -0.10 -0.04 7.44 7.42 1ot5A1 TRP 273 HZ3 -0.67 -0.05 -0.14 -0.04 7.13 6.22 1ot5A1 TRP 273 HH2 0.17 0.00 -0.11 -0.04 7.19 7.21 1ot5A1 GLY 274 H 0.35 0.30 0.17 -0.55 8.43 8.70 1ot5A1 GLY 274 HA2 0.06 0.02 0.27 -0.51 4.01 3.86 1ot5A1 GLY 274 HA3 0.06 0.15 0.47 -0.51 4.01 4.18 1ot5A1 PRO 275 HA 0.03 0.01 0.42 -0.51 4.44 4.39 1ot5A1 PRO 275 HB2 0.11 0.10 0.01 -0.04 2.28 2.45 1ot5A1 PRO 275 HB3 0.11 0.00 0.09 -0.04 2.02 2.18 1ot5A1 PRO 275 HG2 0.31 0.19 0.14 -0.04 2.03 2.63 1ot5A1 PRO 275 HG3 0.31 0.02 -0.01 -0.04 2.03 2.32 1ot5A1 PRO 275 HD2 0.16 0.13 0.18 -0.04 3.68 4.11 1ot5A1 PRO 275 HD3 0.06 0.08 0.18 -0.04 3.65 3.93 1ot5A1 ALA 276 H -0.23 0.09 0.17 -0.55 8.40 7.88 1ot5A1 ALA 276 HA -0.11 0.04 0.41 -0.75 4.34 3.92 1ot5A1 ALA 276 HB3 -0.57 0.01 0.13 -0.04 1.41 0.94 1ot5A1 ASP 277 H -0.03 0.14 0.13 -0.55 8.40 8.09 1ot5A1 ASP 277 HA 0.02 0.21 0.68 -0.75 4.63 4.79 1ot5A1 ASP 277 HB2 0.02 0.04 0.12 -0.04 2.71 2.84 1ot5A1 ASP 277 HB3 0.03 -0.06 0.21 -0.04 2.70 2.85 1ot5A1 ASP 278 H -0.00 0.19 -0.47 -0.55 8.40 7.57 1ot5A1 ASP 278 HA 0.02 0.19 0.58 -0.75 4.63 4.66 1ot5A1 ASP 278 HB2 0.05 0.11 0.09 -0.04 2.71 2.91 1ot5A1 ASP 278 HB3 0.04 -0.02 0.02 -0.04 2.70 2.69 1ot5A1 GLY 279 H 0.03 0.04 -0.21 -0.55 8.43 7.74 1ot5A1 GLY 279 HA2 -0.05 -0.00 0.19 -0.51 4.01 3.64 1ot5A1 GLY 279 HA3 -0.03 0.34 0.38 -0.51 4.01 4.19 1ot5A1 ARG 280 H 0.07 -0.25 -0.09 -0.55 8.46 7.64 1ot5A1 ARG 280 HA -0.08 0.20 0.79 -0.75 4.34 4.49 1ot5A1 ARG 280 HB2 -0.02 -0.07 -0.11 -0.04 1.90 1.65 1ot5A1 ARG 280 HB3 -0.08 -0.03 0.03 -0.04 1.80 1.68 1ot5A1 ARG 280 HG2 -0.04 0.16 -0.49 -0.04 1.67 1.26 1ot5A1 ARG 280 HG3 0.00 0.03 -0.59 -0.04 1.67 1.08 1ot5A1 ARG 280 HD2 -0.01 0.06 -0.05 -0.04 3.22 3.17 1ot5A1 ARG 280 HD3 0.01 -0.11 -0.08 -0.04 3.22 3.00 1ot5A1 HIS 281 H 0.18 -0.23 0.11 -0.55 8.41 7.93 1ot5A1 HIS 281 HA -0.06 0.13 0.58 -0.75 4.63 4.52 1ot5A1 HIS 281 HB2 0.01 0.07 0.13 -0.04 3.26 3.43 1ot5A1 HIS 281 HB3 0.01 0.02 -0.03 -0.04 3.20 3.16 1ot5A1 HIS 281 HD2 0.02 0.02 0.02 -0.04 6.97 6.99 1ot5A1 HIS 281 HE1 -0.01 0.03 -0.01 -0.04 7.75 7.73 1ot5A1 LEU 282 H -0.06 0.15 0.05 -0.55 8.37 7.97 1ot5A1 LEU 282 HA -0.23 0.31 0.80 -0.75 4.35 4.48 1ot5A1 LEU 282 HB2 -0.24 0.07 -0.11 -0.04 1.64 1.33 1ot5A1 LEU 282 HB3 -0.29 -0.05 0.18 -0.04 1.64 1.43 1ot5A1 LEU 282 HG -1.13 -0.04 -0.11 -0.04 1.64 0.31 1ot5A1 LEU 282 HD13 -1.51 0.02 0.01 -0.04 0.93 -0.59 1ot5A1 LEU 282 HD23 -0.48 -0.02 -0.00 -0.04 0.89 0.35 1ot5A1 GLN 283 H 0.04 0.48 0.21 -0.55 8.47 8.65 1ot5A1 GLN 283 HA 0.19 0.18 0.63 -0.75 4.36 4.59 1ot5A1 GLN 283 HB2 0.18 0.06 0.14 -0.04 2.15 2.50 1ot5A1 GLN 283 HB3 0.12 0.07 -0.06 -0.04 2.02 2.12 1ot5A1 GLN 283 HG2 0.19 -0.05 -0.01 -0.04 2.40 2.49 1ot5A1 GLN 283 HG3 0.25 -0.03 -0.09 -0.04 2.39 2.48 1ot5A1 GLN 283 HE21 0.12 0.01 -0.00 -0.04 6.97 7.05 1ot5A1 GLN 283 HE22 0.19 -0.02 -0.04 -0.04 7.69 7.78 1ot5A1 GLY 284 H 0.29 0.28 0.17 -0.55 8.43 8.63 1ot5A1 GLY 284 HA2 0.09 -0.06 0.85 -0.51 4.01 4.38 1ot5A1 GLY 284 HA3 0.02 0.15 0.34 -0.51 4.01 4.02 1ot5A1 PRO 285 HA -0.15 -0.01 0.39 -0.51 4.44 4.16 1ot5A1 PRO 285 HB2 -0.28 0.07 -0.12 -0.04 2.28 1.92 1ot5A1 PRO 285 HB3 -0.29 -0.03 -0.02 -0.04 2.02 1.64 1ot5A1 PRO 285 HG2 -0.59 0.17 -0.10 -0.04 2.03 1.46 1ot5A1 PRO 285 HG3 -1.89 -0.01 -0.11 -0.04 2.03 -0.02 1ot5A1 PRO 285 HD2 -0.39 0.21 0.07 -0.04 3.68 3.53 1ot5A1 PRO 285 HD3 -0.61 -0.14 -0.12 -0.04 3.65 2.74 1ot5A1 SER 286 H -0.00 0.02 0.18 -0.55 8.46 8.11 1ot5A1 SER 286 HA -0.02 0.25 0.62 -0.75 4.49 4.59 1ot5A1 SER 286 HB2 -0.00 0.01 0.18 -0.04 3.95 4.10 1ot5A1 SER 286 HB3 0.02 0.11 0.16 -0.04 3.93 4.18 1ot5A1 ASP 287 H -0.03 0.22 0.15 -0.55 8.40 8.19 1ot5A1 ASP 287 HA -0.07 0.15 0.34 -0.75 4.63 4.29 1ot5A1 ASP 287 HB2 -0.03 -0.04 0.12 -0.04 2.71 2.72 1ot5A1 ASP 287 HB3 -0.04 0.07 0.02 -0.04 2.70 2.70 1ot5A1 LEU 288 H -0.03 0.03 -0.26 -0.55 8.37 7.57 1ot5A1 LEU 288 HA -0.04 0.16 0.42 -0.75 4.35 4.13 1ot5A1 LEU 288 HB2 -0.02 -0.10 0.03 -0.04 1.64 1.51 1ot5A1 LEU 288 HB3 -0.03 0.08 -0.07 -0.04 1.64 1.59 1ot5A1 LEU 288 HG -0.02 0.09 -0.01 -0.04 1.64 1.65 1ot5A1 LEU 288 HD13 -0.02 -0.02 -0.03 -0.04 0.93 0.83 1ot5A1 LEU 288 HD23 -0.01 -0.00 -0.09 -0.04 0.89 0.75 1ot5A1 VAL 289 H -0.04 0.06 -0.18 -0.55 8.24 7.53 1ot5A1 VAL 289 HA -0.04 0.09 0.43 -0.75 4.13 3.85 1ot5A1 VAL 289 HB -0.04 -0.01 0.10 -0.04 2.12 2.13 1ot5A1 VAL 289 HG13 0.06 0.04 -0.12 -0.04 0.97 0.91 1ot5A1 VAL 289 HG23 0.05 -0.01 -0.02 -0.04 0.95 0.93 1ot5A1 LYS 290 H -0.10 0.45 -0.29 -0.55 8.42 7.93 1ot5A1 LYS 290 HA -0.15 0.05 0.37 -0.75 4.32 3.84 1ot5A1 LYS 290 HB2 -0.10 0.08 0.08 -0.04 1.87 1.88 1ot5A1 LYS 290 HB3 -0.11 0.02 -0.06 -0.04 1.79 1.60 1ot5A1 LYS 290 HG2 -0.19 -0.01 -0.07 -0.04 1.46 1.15 1ot5A1 LYS 290 HG3 -0.15 0.07 -0.29 -0.04 1.46 1.05 1ot5A1 LYS 290 HD2 -0.12 -0.06 -0.13 -0.04 1.69 1.34 1ot5A1 LYS 290 HD3 -0.15 0.01 -0.07 -0.04 1.68 1.43 1ot5A1 LYS 290 HE2 -0.25 -0.01 -0.07 -0.04 2.99 2.62 1ot5A1 LYS 290 HE3 -0.17 0.19 -0.15 -0.04 2.99 2.82 1ot5A1 LYS 291 H -0.09 0.46 -0.20 -0.55 8.42 8.03 1ot5A1 LYS 291 HA -0.12 0.04 0.39 -0.75 4.32 3.88 1ot5A1 LYS 291 HB2 -0.07 0.08 0.13 -0.04 1.87 1.98 1ot5A1 LYS 291 HB3 -0.07 -0.01 0.02 -0.04 1.79 1.69 1ot5A1 LYS 291 HG2 -0.06 -0.02 0.01 -0.04 1.46 1.35 1ot5A1 LYS 291 HG3 -0.07 0.26 0.12 -0.04 1.46 1.73 1ot5A1 LYS 291 HD2 -0.04 -0.05 -0.06 -0.04 1.69 1.49 1ot5A1 LYS 291 HD3 -0.04 -0.06 -0.04 -0.04 1.68 1.50 1ot5A1 LYS 291 HE2 -0.03 -0.02 -0.03 -0.04 2.99 2.86 1ot5A1 LYS 291 HE3 -0.04 0.02 -0.03 -0.04 2.99 2.90 1ot5A1 ALA 292 H -0.10 0.37 -0.26 -0.55 8.40 7.87 1ot5A1 ALA 292 HA -0.08 0.03 0.36 -0.75 4.34 3.89 1ot5A1 ALA 292 HB3 -0.07 0.03 0.07 -0.04 1.41 1.39 1ot5A1 LEU 293 H -0.20 0.50 -0.20 -0.55 8.37 7.92 1ot5A1 LEU 293 HA -0.44 0.07 0.37 -0.75 4.35 3.59 1ot5A1 LEU 293 HB2 -0.24 0.14 0.20 -0.04 1.64 1.69 1ot5A1 LEU 293 HB3 -0.35 -0.02 -0.05 -0.04 1.64 1.17 1ot5A1 LEU 293 HG -0.46 0.01 -0.05 -0.04 1.64 1.10 1ot5A1 LEU 293 HD13 -0.41 0.02 -0.04 -0.04 0.93 0.46 1ot5A1 LEU 293 HD23 -0.19 -0.02 -0.06 -0.04 0.89 0.58 1ot5A1 VAL 294 H -0.36 0.49 -0.13 -0.55 8.24 7.69 1ot5A1 VAL 294 HA -0.96 0.02 0.37 -0.75 4.13 2.80 1ot5A1 VAL 294 HB -0.23 0.10 0.14 -0.04 2.12 2.10 1ot5A1 VAL 294 HG13 -0.17 -0.01 -0.13 -0.04 0.97 0.63 1ot5A1 VAL 294 HG23 -0.31 0.01 0.01 -0.04 0.95 0.62 1ot5A1 LYS 295 H -0.19 0.49 -0.31 -0.55 8.42 7.86 1ot5A1 LYS 295 HA -0.09 0.00 0.44 -0.75 4.32 3.91 1ot5A1 LYS 295 HB2 -0.08 0.00 0.09 -0.04 1.87 1.85 1ot5A1 LYS 295 HB3 -0.07 0.17 0.16 -0.04 1.79 2.01 1ot5A1 LYS 295 HG2 -0.03 -0.00 -0.17 -0.04 1.46 1.22 1ot5A1 LYS 295 HG3 -0.03 -0.03 0.04 -0.04 1.46 1.39 1ot5A1 LYS 295 HD2 -0.03 -0.03 -0.04 -0.04 1.69 1.55 1ot5A1 LYS 295 HD3 -0.03 0.00 -0.05 -0.04 1.68 1.57 1ot5A1 LYS 295 HE2 -0.01 0.01 -0.05 -0.04 2.99 2.90 1ot5A1 LYS 295 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.91 1ot5A1 GLY 296 H -0.12 0.62 -0.08 -0.55 8.43 8.31 1ot5A1 GLY 296 HA2 0.05 -0.03 0.43 -0.51 4.01 3.95 1ot5A1 GLY 296 HA3 0.17 0.11 0.35 -0.51 4.01 4.13 1ot5A1 VAL 297 H -0.30 0.46 -0.17 -0.55 8.24 7.68 1ot5A1 VAL 297 HA -0.24 0.00 0.76 -0.75 4.13 3.90 1ot5A1 VAL 297 HB -2.09 -0.03 0.10 -0.04 2.12 0.07 1ot5A1 VAL 297 HG13 -0.58 0.06 0.04 -0.04 0.97 0.45 1ot5A1 VAL 297 HG23 -0.81 0.02 -0.01 -0.04 0.95 0.10 1ot5A1 THR 298 H -0.14 0.30 -0.17 -0.55 8.28 7.73 1ot5A1 THR 298 HA 0.09 0.19 0.77 -0.75 4.39 4.69 1ot5A1 THR 298 HB 0.04 -0.05 0.05 -0.04 4.32 4.32 1ot5A1 THR 298 HG23 -0.00 0.01 0.01 -0.04 1.22 1.20 1ot5A1 GLU 299 H -0.02 0.61 0.14 -0.55 8.60 8.79 1ot5A1 GLU 299 HA 0.03 0.19 0.99 -0.75 4.29 4.75 1ot5A1 GLU 299 HB2 -0.00 0.12 0.10 -0.04 2.09 2.26 1ot5A1 GLU 299 HB3 0.01 -0.07 0.05 -0.04 1.99 1.94 1ot5A1 GLU 299 HG2 0.01 0.02 -0.01 -0.04 2.34 2.33 1ot5A1 GLU 299 HG3 0.01 -0.02 -0.15 -0.04 2.34 2.13 1ot5A1 GLY 300 H 0.02 0.24 -0.03 -0.55 8.43 8.11 1ot5A1 GLY 300 HA2 0.04 0.13 0.52 -0.51 4.01 4.19 1ot5A1 GLY 300 HA3 0.05 0.16 0.45 -0.51 4.01 4.16 1ot5A1 ARG 301 H 0.03 0.31 0.13 -0.55 8.46 8.37 1ot5A1 ARG 301 HA 0.02 0.08 0.28 -0.75 4.34 3.97 1ot5A1 ARG 301 HB2 0.08 -0.05 -0.31 -0.04 1.90 1.59 1ot5A1 ARG 301 HB3 0.05 0.09 0.13 -0.04 1.80 2.03 1ot5A1 ARG 301 HG2 0.02 -0.06 0.00 -0.04 1.67 1.59 1ot5A1 ARG 301 HG3 0.05 0.34 -0.31 -0.04 1.67 1.71 1ot5A1 ARG 301 HD2 0.01 -0.08 0.07 -0.04 3.22 3.17 1ot5A1 ARG 301 HD3 0.01 0.01 0.09 -0.04 3.22 3.29 1ot5A1 ASP 302 H 0.03 0.11 -0.29 -0.55 8.40 7.71 1ot5A1 ASP 302 HA 0.03 -0.01 0.29 -0.75 4.63 4.18 1ot5A1 ASP 302 HB2 0.03 0.08 -0.49 -0.04 2.71 2.28 1ot5A1 ASP 302 HB3 0.03 0.02 0.29 -0.04 2.70 3.00 1ot5A1 SER 303 H 0.05 0.28 -0.37 -0.55 8.46 7.87 1ot5A1 SER 303 HA 0.07 0.25 0.27 -0.75 4.49 4.33 1ot5A1 SER 303 HB2 0.06 0.28 0.19 -0.04 3.95 4.44 1ot5A1 SER 303 HB3 0.07 -0.07 0.21 -0.04 3.93 4.11 1ot5A1 LYS 304 H 0.09 0.31 -0.83 -0.55 8.42 7.44 1ot5A1 LYS 304 HA 0.15 0.00 0.66 -0.75 4.32 4.38 1ot5A1 LYS 304 HB2 0.09 0.33 0.12 -0.04 1.87 2.37 1ot5A1 LYS 304 HB3 0.12 0.04 0.02 -0.04 1.79 1.93 1ot5A1 LYS 304 HG2 0.08 -0.09 -0.04 -0.04 1.46 1.36 1ot5A1 LYS 304 HG3 0.07 0.00 -0.04 -0.04 1.46 1.45 1ot5A1 LYS 304 HD2 0.06 0.16 -0.03 -0.04 1.69 1.84 1ot5A1 LYS 304 HD3 0.05 -0.16 0.02 -0.04 1.68 1.56 1ot5A1 LYS 304 HE2 0.04 -0.10 0.06 -0.04 2.99 2.95 1ot5A1 LYS 304 HE3 0.05 0.36 0.14 -0.04 2.99 3.50 1ot5A1 GLY 305 H 0.12 0.49 -0.33 -0.55 8.43 8.17 1ot5A1 GLY 305 HA2 0.07 -0.11 0.26 -0.51 4.01 3.73 1ot5A1 GLY 305 HA3 0.35 0.06 0.79 -0.51 4.01 4.71 1ot5A1 ALA 306 H 0.02 0.48 0.22 -0.55 8.40 8.57 1ot5A1 ALA 306 HA 0.01 0.21 0.56 -0.75 4.34 4.36 1ot5A1 ALA 306 HB3 -0.02 -0.05 0.01 -0.04 1.41 1.31 1ot5A1 ILE 307 H -0.06 0.57 0.33 -0.55 8.25 8.55 1ot5A1 ILE 307 HA 0.10 0.20 0.88 -0.75 4.18 4.60 1ot5A1 ILE 307 HB 0.01 -0.12 0.18 -0.04 1.89 1.92 1ot5A1 ILE 307 HG12 0.02 0.15 0.02 -0.04 1.49 1.64 1ot5A1 ILE 307 HG13 -0.04 -0.04 -0.07 -0.04 1.21 1.02 1ot5A1 ILE 307 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.64 1ot5A1 ILE 307 HD13 0.11 0.04 -0.23 -0.04 0.88 0.76 1ot5A1 TYR 308 H 0.25 0.37 0.19 -0.55 8.29 8.54 1ot5A1 TYR 308 HA 0.21 0.16 0.93 -0.75 4.56 5.10 1ot5A1 TYR 308 HB2 0.19 0.25 0.18 -0.04 3.06 3.63 1ot5A1 TYR 308 HB3 0.31 -0.09 -0.04 -0.04 2.98 3.12 1ot5A1 TYR 308 HD2 0.07 0.09 -0.03 -0.04 7.15 7.24 1ot5A1 TYR 308 HE2 -0.32 0.02 -0.04 -0.04 6.85 6.47 1ot5A1 VAL 309 H 0.15 0.73 0.38 -0.55 8.24 8.95 1ot5A1 VAL 309 HA 0.24 0.29 1.05 -0.75 4.13 4.97 1ot5A1 VAL 309 HB 0.09 -0.13 0.11 -0.04 2.12 2.15 1ot5A1 VAL 309 HG13 0.13 0.01 -0.10 -0.04 0.97 0.97 1ot5A1 VAL 309 HG23 0.29 0.03 -0.28 -0.04 0.95 0.95 1ot5A1 PHE 310 H 0.28 0.60 0.20 -0.55 8.34 8.87 1ot5A1 PHE 310 HA -0.09 0.31 1.14 -0.75 4.62 5.23 1ot5A1 PHE 310 HB2 0.01 0.04 -0.11 -0.04 3.15 3.05 1ot5A1 PHE 310 HB3 -0.06 0.05 -0.14 -0.04 3.06 2.87 1ot5A1 PHE 310 HD2 -0.20 0.07 -0.13 -0.04 7.28 6.98 1ot5A1 PHE 310 HE2 -0.89 -0.02 -0.10 -0.04 7.38 6.32 1ot5A1 PHE 310 HZ -0.31 -0.05 -0.09 -0.04 7.32 6.83 1ot5A1 ALA 311 H 0.01 0.36 0.31 -0.55 8.40 8.53 1ot5A1 ALA 311 HA 0.08 0.19 0.64 -0.75 4.34 4.50 1ot5A1 ALA 311 HB3 0.06 -0.07 -0.09 -0.04 1.41 1.27 1ot5A1 SER 312 H 0.09 0.62 0.29 -0.55 8.46 8.92 1ot5A1 SER 312 HA 0.10 0.07 0.27 -0.75 4.49 4.18 1ot5A1 SER 312 HB2 0.08 0.02 -0.01 -0.04 3.95 3.99 1ot5A1 SER 312 HB3 0.08 0.03 -0.20 -0.04 3.93 3.79 1ot5A1 GLY 313 H 0.10 -0.07 -0.28 -0.55 8.43 7.63 1ot5A1 GLY 313 HA2 0.09 -0.01 0.26 -0.51 4.01 3.84 1ot5A1 GLY 313 HA3 0.09 0.25 0.85 -0.51 4.01 4.69 1ot5A1 ASN 314 H 0.07 0.16 0.14 -0.55 8.53 8.35 1ot5A1 ASN 314 HA 0.19 0.41 1.08 -0.75 4.76 5.70 1ot5A1 ASN 314 HB2 0.02 0.05 0.11 -0.04 2.88 3.02 1ot5A1 ASN 314 HB3 -0.00 0.02 0.24 -0.04 2.79 3.01 1ot5A1 ASN 314 HD21 -0.02 -0.07 0.05 -0.04 7.03 6.95 1ot5A1 ASN 314 HD22 -0.02 0.11 0.04 -0.04 7.74 7.83 1ot5A1 GLY 315 H 0.07 0.06 -0.09 -0.55 8.43 7.93 1ot5A1 GLY 315 HA2 0.04 0.17 0.64 -0.51 4.01 4.35 1ot5A1 GLY 315 HA3 0.04 0.05 0.38 -0.51 4.01 3.96 1ot5A1 GLY 316 H 0.10 0.57 -0.62 -0.55 8.43 7.93 1ot5A1 GLY 316 HA2 0.04 0.09 0.15 -0.51 4.01 3.79 1ot5A1 GLY 316 HA3 0.06 0.27 0.03 -0.51 4.01 3.86 1ot5A1 THR 317 H 0.05 0.05 -0.22 -0.55 8.28 7.61 1ot5A1 THR 317 HA 0.02 0.21 0.65 -0.75 4.39 4.51 1ot5A1 THR 317 HB 0.02 0.02 0.10 -0.04 4.32 4.41 1ot5A1 THR 317 HG23 0.02 0.00 -0.22 -0.04 1.22 0.98 1ot5A1 ARG 318 H 0.02 0.36 -0.38 -0.55 8.46 7.92 1ot5A1 ARG 318 HA 0.00 0.18 0.82 -0.75 4.34 4.60 1ot5A1 ARG 318 HB2 0.01 0.01 0.06 -0.04 1.90 1.94 1ot5A1 ARG 318 HB3 0.00 0.12 0.12 -0.04 1.80 2.00 1ot5A1 ARG 318 HG2 0.01 0.05 -0.01 -0.04 1.67 1.67 1ot5A1 ARG 318 HG3 0.02 -0.10 -0.12 -0.04 1.67 1.43 1ot5A1 ARG 318 HD2 0.01 0.05 0.08 -0.04 3.22 3.32 1ot5A1 ARG 318 HD3 0.01 -0.04 0.00 -0.04 3.22 3.16 1ot5A1 GLY 319 H -0.00 0.26 -0.35 -0.55 8.43 7.79 1ot5A1 GLY 319 HA2 -0.02 0.09 0.31 -0.51 4.01 3.88 1ot5A1 GLY 319 HA3 -0.04 -0.00 0.55 -0.51 4.01 4.01 1ot5A1 ASP 320 H -0.01 0.30 -0.25 -0.55 8.40 7.90 1ot5A1 ASP 320 HA -0.08 0.09 0.43 -0.75 4.63 4.31 1ot5A1 ASP 320 HB2 0.01 0.05 -0.04 -0.04 2.71 2.70 1ot5A1 ASP 320 HB3 0.04 -0.13 -0.20 -0.04 2.70 2.37 1ot5A1 ASN 321 H 0.03 0.23 0.21 -0.55 8.53 8.45 1ot5A1 ASN 321 HA 0.10 0.24 0.79 -0.75 4.76 5.13 1ot5A1 ASN 321 HB2 0.09 0.18 -0.07 -0.04 2.88 3.03 1ot5A1 ASN 321 HB3 0.24 -0.03 0.10 -0.04 2.79 3.05 1ot5A1 ASN 321 HD21 0.15 -0.09 0.08 -0.04 7.03 7.13 1ot5A1 ASN 321 HD22 0.09 0.05 0.00 -0.04 7.74 7.85 1ot5A1 CYS 322 H 0.14 0.55 0.10 -0.55 8.50 8.73 1ot5A1 CYS 322 HA 0.19 0.08 0.55 -0.75 4.58 4.64 1ot5A1 CYS 322 HB2 0.12 -0.05 0.09 -0.04 2.97 3.09 1ot5A1 CYS 322 HB3 0.11 0.31 0.12 -0.04 2.97 3.47 1ot5A1 ASN 323 H 0.31 0.17 -0.31 -0.55 8.53 8.15 1ot5A1 ASN 323 HA 0.23 0.16 0.68 -0.75 4.76 5.08 1ot5A1 ASN 323 HB2 0.23 -0.02 0.22 -0.04 2.88 3.26 1ot5A1 ASN 323 HB3 0.33 0.11 0.14 -0.04 2.79 3.33 1ot5A1 ASN 323 HD21 0.14 0.29 0.14 -0.04 7.03 7.56 1ot5A1 ASN 323 HD22 0.13 -0.01 0.21 -0.04 7.74 8.03 1ot5A1 TYR 324 H 0.42 0.26 -0.41 -0.55 8.29 8.01 1ot5A1 TYR 324 HA 0.03 0.16 0.72 -0.75 4.56 4.72 1ot5A1 TYR 324 HB2 0.08 0.08 0.13 -0.04 3.06 3.31 1ot5A1 TYR 324 HB3 -0.05 0.11 0.25 -0.04 2.98 3.25 1ot5A1 TYR 324 HD2 0.04 -0.04 -0.03 -0.04 7.15 7.08 1ot5A1 TYR 324 HE2 0.30 -0.03 -0.00 -0.04 6.85 7.07 1ot5A1 ASP 325 H 0.33 0.34 -0.39 -0.55 8.40 8.14 1ot5A1 ASP 325 HA 0.30 0.21 0.93 -0.75 4.63 5.32 1ot5A1 ASP 325 HB2 0.19 0.04 -0.02 -0.04 2.71 2.88 1ot5A1 ASP 325 HB3 0.18 0.19 0.23 -0.04 2.70 3.26 1ot5A1 GLY 326 H 0.39 0.78 0.36 -0.55 8.43 9.41 1ot5A1 GLY 326 HA2 -0.12 0.17 0.29 -0.51 4.01 3.84 1ot5A1 GLY 326 HA3 -0.08 -0.10 0.43 -0.51 4.01 3.75 1ot5A1 TYR 327 H 0.22 0.04 -0.22 -0.55 8.29 7.77 1ot5A1 TYR 327 HA -0.40 0.13 0.60 -0.75 4.56 4.13 1ot5A1 TYR 327 HB2 -0.49 0.01 0.08 -0.04 3.06 2.62 1ot5A1 TYR 327 HB3 -1.54 0.07 -0.01 -0.04 2.98 1.46 1ot5A1 TYR 327 HD2 -0.07 0.03 -0.01 -0.04 7.15 7.06 1ot5A1 TYR 327 HE2 0.22 0.01 -0.17 -0.04 6.85 6.87 1ot5A1 THR 328 H -0.02 0.03 -0.08 -0.55 8.28 7.66 1ot5A1 THR 328 HA -0.10 0.08 0.37 -0.75 4.39 3.99 1ot5A1 THR 328 HB 0.07 -0.01 -0.05 -0.04 4.32 4.29 1ot5A1 THR 328 HG23 0.07 -0.01 -0.07 -0.04 1.22 1.17 1ot5A1 ASN 329 H -0.02 0.39 -0.15 -0.55 8.53 8.21 1ot5A1 ASN 329 HA 0.00 0.22 0.66 -0.75 4.76 4.89 1ot5A1 ASN 329 HB2 0.02 -0.11 0.13 -0.04 2.88 2.88 1ot5A1 ASN 329 HB3 0.08 0.03 0.08 -0.04 2.79 2.95 1ot5A1 ASN 329 HD21 -0.39 0.16 0.00 -0.04 7.03 6.76 1ot5A1 ASN 329 HD22 0.07 -0.13 0.13 -0.04 7.74 7.77 1ot5A1 SER 330 H -0.17 0.20 -0.80 -0.55 8.46 7.14 1ot5A1 SER 330 HA -0.30 0.03 0.50 -0.75 4.49 3.97 1ot5A1 SER 330 HB2 -0.27 0.09 0.13 -0.04 3.95 3.86 1ot5A1 SER 330 HB3 -0.22 0.24 0.08 -0.04 3.93 3.99 1ot5A1 ILE 331 H -0.61 0.10 0.11 -0.55 8.25 7.30 1ot5A1 ILE 331 HA -0.46 0.22 0.47 -0.75 4.18 3.66 1ot5A1 ILE 331 HB -1.67 0.01 0.07 -0.04 1.89 0.26 1ot5A1 ILE 331 HG12 -1.40 -0.10 0.01 -0.04 1.49 -0.04 1ot5A1 ILE 331 HG13 -1.33 0.08 -0.40 -0.04 1.21 -0.49 1ot5A1 ILE 331 HG23 -0.69 -0.00 -0.04 -0.04 0.93 0.16 1ot5A1 ILE 331 HD13 -0.94 -0.00 -0.07 -0.04 0.88 -0.18 1ot5A1 TYR 332 H -0.46 -0.07 -0.28 -0.55 8.29 6.93 1ot5A1 TYR 332 HA -0.16 0.19 0.53 -0.75 4.56 4.36 1ot5A1 TYR 332 HB2 -0.28 -0.06 -0.06 -0.04 3.06 2.62 1ot5A1 TYR 332 HB3 -0.33 0.07 0.02 -0.04 2.98 2.70 1ot5A1 TYR 332 HD2 -0.73 0.04 -0.08 -0.04 7.15 6.34 1ot5A1 TYR 332 HE2 -0.16 0.02 -0.07 -0.04 6.85 6.60 1ot5A1 SER 333 H 0.01 0.19 -0.43 -0.55 8.46 7.69 1ot5A1 SER 333 HA 0.34 0.21 0.90 -0.75 4.49 5.19 1ot5A1 SER 333 HB2 0.41 -0.10 -0.17 -0.04 3.95 4.05 1ot5A1 SER 333 HB3 0.08 -0.12 -0.11 -0.04 3.93 3.74 1ot5A1 ILE 334 H 0.30 0.76 0.32 -0.55 8.25 9.07 1ot5A1 ILE 334 HA 0.22 0.18 0.83 -0.75 4.18 4.66 1ot5A1 ILE 334 HB 0.27 -0.07 0.20 -0.04 1.89 2.25 1ot5A1 ILE 334 HG12 0.22 0.06 -0.11 -0.04 1.49 1.61 1ot5A1 ILE 334 HG13 0.25 0.08 -0.06 -0.04 1.21 1.44 1ot5A1 ILE 334 HG23 0.23 -0.01 -0.16 -0.04 0.93 0.94 1ot5A1 ILE 334 HD13 -0.01 -0.01 -0.13 -0.04 0.88 0.69 1ot5A1 THR 335 H 0.16 0.34 0.13 -0.55 8.28 8.37 1ot5A1 THR 335 HA 0.17 0.14 0.71 -0.75 4.39 4.66 1ot5A1 THR 335 HB 0.12 0.16 0.14 -0.04 4.32 4.69 1ot5A1 THR 335 HG23 0.10 -0.05 -0.24 -0.04 1.22 0.99 1ot5A1 ILE 336 H 0.13 0.57 0.37 -0.55 8.25 8.77 1ot5A1 ILE 336 HA 0.09 0.31 0.98 -0.75 4.18 4.81 1ot5A1 ILE 336 HB 0.08 -0.10 0.08 -0.04 1.89 1.90 1ot5A1 ILE 336 HG12 0.14 0.12 -0.26 -0.04 1.49 1.45 1ot5A1 ILE 336 HG13 0.07 -0.07 -0.11 -0.04 1.21 1.06 1ot5A1 ILE 336 HG23 0.03 0.01 -0.28 -0.04 0.93 0.66 1ot5A1 ILE 336 HD13 0.11 0.03 -0.24 -0.04 0.88 0.74 1ot5A1 GLY 337 H 0.05 0.74 0.45 -0.55 8.43 9.13 1ot5A1 GLY 337 HA2 0.06 -0.03 0.80 -0.51 4.01 4.33 1ot5A1 GLY 337 HA3 0.03 0.21 0.38 -0.51 4.01 4.11 1ot5A1 ALA 338 H 0.02 0.18 0.20 -0.55 8.40 8.27 1ot5A1 ALA 338 HA 0.03 0.41 1.16 -0.75 4.34 5.19 1ot5A1 ALA 338 HB3 0.11 -0.05 -0.06 -0.04 1.41 1.37 1ot5A1 ILE 339 H 0.03 0.55 0.21 -0.55 8.25 8.49 1ot5A1 ILE 339 HA 0.03 0.24 0.59 -0.75 4.18 4.28 1ot5A1 ILE 339 HB 0.04 -0.06 -0.15 -0.04 1.89 1.68 1ot5A1 ILE 339 HG12 -0.20 -0.03 -0.40 -0.04 1.49 0.82 1ot5A1 ILE 339 HG13 -0.38 -0.03 -0.35 -0.04 1.21 0.41 1ot5A1 ILE 339 HG23 0.20 0.00 -0.37 -0.04 0.93 0.72 1ot5A1 ILE 339 HD13 -0.32 0.01 -0.22 -0.04 0.88 0.31 1ot5A1 ASP 340 H 0.00 0.42 0.13 -0.55 8.40 8.40 1ot5A1 ASP 340 HA 0.20 0.36 0.66 -0.75 4.63 5.10 1ot5A1 ASP 340 HB2 -0.05 0.05 -0.05 -0.04 2.71 2.62 1ot5A1 ASP 340 HB3 -0.03 0.07 -0.19 -0.04 2.70 2.51 1ot5A1 HIS 341 H -0.30 0.24 0.08 -0.55 8.41 7.89 1ot5A1 HIS 341 HA -0.58 0.18 0.34 -0.75 4.63 3.82 1ot5A1 HIS 341 HB2 -1.42 0.04 0.15 -0.04 3.26 2.00 1ot5A1 HIS 341 HB3 -2.64 -0.01 0.11 -0.04 3.20 0.62 1ot5A1 HIS 341 HD2 -0.52 0.01 0.06 -0.04 6.97 6.47 1ot5A1 HIS 341 HE1 -0.15 0.01 -0.02 -0.04 7.75 7.54 1ot5A1 LYS 342 H -0.48 -0.09 -0.72 -0.55 8.42 6.58 1ot5A1 LYS 342 HA -1.00 0.28 0.85 -0.75 4.32 3.70 1ot5A1 LYS 342 HB2 -0.51 -0.12 -0.08 -0.04 1.87 1.13 1ot5A1 LYS 342 HB3 -0.57 0.06 0.08 -0.04 1.79 1.32 1ot5A1 LYS 342 HG2 -2.64 0.10 -0.10 -0.04 1.46 -1.21 1ot5A1 LYS 342 HG3 -1.75 -0.08 -0.20 -0.04 1.46 -0.61 1ot5A1 LYS 342 HD2 -0.37 -0.08 -0.02 -0.04 1.69 1.18 1ot5A1 LYS 342 HD3 -0.33 0.03 -0.01 -0.04 1.68 1.32 1ot5A1 LYS 342 HE2 -0.15 0.03 -0.02 -0.04 2.99 2.81 1ot5A1 LYS 342 HE3 -0.26 0.09 0.03 -0.04 2.99 2.82 1ot5A1 ASP 343 H -0.03 0.53 -0.14 -0.55 8.40 8.21 1ot5A1 ASP 343 HA 0.09 0.06 0.20 -0.75 4.63 4.23 1ot5A1 ASP 343 HB2 0.01 0.18 -0.39 -0.04 2.71 2.46 1ot5A1 ASP 343 HB3 -0.00 -0.04 0.20 -0.04 2.70 2.82 1ot5A1 LEU 344 H -0.07 -0.11 -0.20 -0.55 8.37 7.44 1ot5A1 LEU 344 HA 0.06 0.25 0.83 -0.75 4.35 4.74 1ot5A1 LEU 344 HB2 -0.09 -0.14 -0.13 -0.04 1.64 1.25 1ot5A1 LEU 344 HB3 -0.01 0.05 -0.01 -0.04 1.64 1.62 1ot5A1 LEU 344 HG -0.12 0.10 -0.39 -0.04 1.64 1.19 1ot5A1 LEU 344 HD13 -0.10 -0.01 -0.06 -0.04 0.93 0.71 1ot5A1 LEU 344 HD23 -0.00 0.04 -0.07 -0.04 0.89 0.82 1ot5A1 HIS 345 H 0.22 0.13 0.07 -0.55 8.41 8.28 1ot5A1 HIS 345 HA -0.01 0.24 0.54 -0.75 4.63 4.65 1ot5A1 HIS 345 HB2 -0.08 0.03 -0.01 -0.04 3.26 3.16 1ot5A1 HIS 345 HB3 -0.01 -0.07 0.08 -0.04 3.20 3.16 1ot5A1 HIS 345 HD2 -0.30 0.06 -0.03 -0.04 6.97 6.65 1ot5A1 HIS 345 HE1 -0.14 0.03 -0.13 -0.04 7.75 7.47 1ot5A1 PRO 346 HA -0.40 0.08 0.60 -0.51 4.44 4.21 1ot5A1 PRO 346 HB2 -1.56 -0.19 0.06 -0.04 2.28 0.55 1ot5A1 PRO 346 HB3 -0.59 0.07 0.10 -0.04 2.02 1.56 1ot5A1 PRO 346 HG2 -0.25 -0.03 -0.29 -0.04 2.03 1.42 1ot5A1 PRO 346 HG3 -0.18 0.01 -0.14 -0.04 2.03 1.67 1ot5A1 PRO 346 HD2 -0.40 0.13 0.12 -0.04 3.68 3.49 1ot5A1 PRO 346 HD3 -0.12 0.27 0.29 -0.04 3.65 4.05 1ot5A1 PRO 347 HA -0.19 0.16 0.26 -0.51 4.44 4.16 1ot5A1 PRO 347 HB2 -0.05 -0.06 0.03 -0.04 2.28 2.15 1ot5A1 PRO 347 HB3 -0.04 0.08 0.04 -0.04 2.02 2.07 1ot5A1 PRO 347 HG2 -0.06 0.01 0.09 -0.04 2.03 2.03 1ot5A1 PRO 347 HG3 -0.08 0.12 0.08 -0.04 2.03 2.11 1ot5A1 PRO 347 HD2 -0.18 -0.02 0.20 -0.04 3.68 3.65 1ot5A1 PRO 347 HD3 -0.22 0.26 0.32 -0.04 3.65 3.97 1ot5A1 TYR 348 H -0.35 0.01 -0.40 -0.55 8.29 7.00 1ot5A1 TYR 348 HA -0.02 -0.04 0.43 -0.75 4.56 4.18 1ot5A1 TYR 348 HB2 -0.01 0.04 0.17 -0.04 3.06 3.22 1ot5A1 TYR 348 HB3 -0.03 0.01 0.09 -0.04 2.98 3.00 1ot5A1 TYR 348 HD2 -0.04 0.03 -0.22 -0.04 7.15 6.88 1ot5A1 TYR 348 HE2 -0.04 0.02 -0.16 -0.04 6.85 6.62 1ot5A1 SER 349 H -0.63 0.47 -0.16 -0.55 8.46 7.60 1ot5A1 SER 349 HA 0.16 -0.00 0.59 -0.75 4.49 4.48 1ot5A1 SER 349 HB2 -0.29 -0.14 0.15 -0.04 3.95 3.62 1ot5A1 SER 349 HB3 -0.16 0.18 0.17 -0.04 3.93 4.08 1ot5A1 GLU 350 H 0.10 0.39 0.25 -0.55 8.60 8.78 1ot5A1 GLU 350 HA 0.05 0.15 0.48 -0.75 4.29 4.22 1ot5A1 GLU 350 HB2 0.08 0.02 -0.20 -0.04 2.09 1.96 1ot5A1 GLU 350 HB3 0.08 -0.02 -0.15 -0.04 1.99 1.86 1ot5A1 GLU 350 HG2 0.06 0.23 -0.45 -0.04 2.34 2.14 1ot5A1 GLU 350 HG3 0.08 -0.10 -0.36 -0.04 2.34 1.92 1ot5A1 GLY 351 H 0.00 0.19 0.26 -0.55 8.43 8.34 1ot5A1 GLY 351 HA2 -0.04 0.21 0.98 -0.51 4.01 4.66 1ot5A1 GLY 351 HA3 -0.09 0.11 0.44 -0.51 4.01 3.96 1ot5A1 CYS 352 H -0.01 0.71 0.44 -0.55 8.50 9.09 1ot5A1 CYS 352 HA 0.14 0.14 0.43 -0.75 4.58 4.54 1ot5A1 CYS 352 HB2 0.15 0.06 0.20 -0.04 2.97 3.33 1ot5A1 CYS 352 HB3 0.14 0.02 0.36 -0.04 2.97 3.46 1ot5A1 SER 353 H 0.11 0.30 0.21 -0.55 8.46 8.53 1ot5A1 SER 353 HA -0.40 0.14 0.53 -0.75 4.49 4.00 1ot5A1 SER 353 HB2 -0.13 -0.12 0.26 -0.04 3.95 3.91 1ot5A1 SER 353 HB3 0.02 -0.04 0.12 -0.04 3.93 3.99 1ot5A1 ALA 354 H 0.06 -0.08 -0.77 -0.55 8.40 7.06 1ot5A1 ALA 354 HA 0.09 0.12 0.80 -0.75 4.34 4.60 1ot5A1 ALA 354 HB3 0.08 0.05 -0.12 -0.04 1.41 1.38 1ot5A1 VAL 355 H 0.06 0.27 -0.04 -0.55 8.24 7.99 1ot5A1 VAL 355 HA 0.09 0.04 0.43 -0.75 4.13 3.93 1ot5A1 VAL 355 HB -0.04 0.03 0.04 -0.04 2.12 2.11 1ot5A1 VAL 355 HG13 0.01 0.00 -0.28 -0.04 0.97 0.66 1ot5A1 VAL 355 HG23 0.01 -0.01 0.04 -0.04 0.95 0.95 1ot5A1 MET 356 H 0.12 0.55 0.38 -0.55 8.47 8.98 1ot5A1 MET 356 HA 0.24 0.13 0.76 -0.75 4.52 4.91 1ot5A1 MET 356 HB2 0.14 0.00 0.11 -0.04 2.15 2.36 1ot5A1 MET 356 HB3 0.09 -0.00 0.01 -0.04 2.03 2.09 1ot5A1 MET 356 HG2 0.16 0.07 -0.08 -0.04 2.63 2.75 1ot5A1 MET 356 HG3 0.16 -0.14 0.17 -0.04 2.56 2.71 1ot5A1 MET 356 HE3 -0.28 0.00 0.01 -0.04 2.10 1.79 1ot5A1 ALA 357 H 0.11 0.31 0.29 -0.55 8.40 8.56 1ot5A1 ALA 357 HA 0.13 0.18 0.62 -0.75 4.34 4.51 1ot5A1 ALA 357 HB3 0.10 0.04 -0.07 -0.04 1.41 1.44 1ot5A1 VAL 358 H 0.07 0.58 0.32 -0.55 8.24 8.66 1ot5A1 VAL 358 HA 0.04 0.12 0.90 -0.75 4.13 4.43 1ot5A1 VAL 358 HB 0.04 -0.04 -0.42 -0.04 2.12 1.66 1ot5A1 VAL 358 HG13 0.07 -0.02 -0.30 -0.04 0.97 0.67 1ot5A1 VAL 358 HG23 0.12 0.03 -0.31 -0.04 0.95 0.74 1ot5A1 THR 359 H -0.02 0.58 0.28 -0.55 8.28 8.58 1ot5A1 THR 359 HA -0.24 0.14 0.59 -0.75 4.39 4.14 1ot5A1 THR 359 HB -0.04 0.03 -0.14 -0.04 4.32 4.14 1ot5A1 THR 359 HG23 0.00 0.01 -0.10 -0.04 1.22 1.09 1ot5A1 TYR 360 H 0.05 0.11 0.11 -0.55 8.29 8.02 1ot5A1 TYR 360 HA 0.21 0.36 0.57 -0.75 4.56 4.94 1ot5A1 TYR 360 HB2 0.05 -0.06 0.07 -0.04 3.06 3.09 1ot5A1 TYR 360 HB3 0.47 0.00 -0.03 -0.04 2.98 3.38 1ot5A1 TYR 360 HD2 0.26 -0.01 -0.22 -0.04 7.15 7.14 1ot5A1 TYR 360 HE2 0.10 0.10 -0.27 -0.04 6.85 6.74 1ot5A1 SER 361 H 0.51 0.50 0.27 -0.55 8.46 9.19 1ot5A1 SER 361 HA 0.14 0.06 0.26 -0.75 4.49 4.19 1ot5A1 SER 361 HB2 0.11 0.15 -0.28 -0.04 3.95 3.88 1ot5A1 SER 361 HB3 0.22 0.01 -0.12 -0.04 3.93 4.00 1ot5A1 SER 362 H 0.13 -0.07 0.16 -0.55 8.46 8.13 1ot5A1 SER 362 HA 0.11 0.23 0.36 -0.75 4.49 4.43 1ot5A1 SER 362 HB2 -0.27 0.12 0.16 -0.04 3.95 3.92 1ot5A1 SER 362 HB3 -0.00 0.09 0.26 -0.04 3.93 4.24 1ot5A1 GLY 363 H -0.18 0.58 0.24 -0.55 8.43 8.52 1ot5A1 GLY 363 HA2 -0.04 -0.03 0.37 -0.51 4.01 3.80 1ot5A1 GLY 363 HA3 -0.04 0.18 0.71 -0.51 4.01 4.35 1ot5A1 SER 364 H -0.07 0.17 0.15 -0.55 8.46 8.17 1ot5A1 SER 364 HA -0.04 0.08 0.36 -0.75 4.49 4.12 1ot5A1 SER 364 HB2 -0.10 0.04 -0.11 -0.04 3.95 3.74 1ot5A1 SER 364 HB3 -0.10 0.08 0.20 -0.04 3.93 4.08 1ot5A1 GLY 365 H -0.08 0.01 -0.21 -0.55 8.43 7.61 1ot5A1 GLY 365 HA2 -0.01 -0.01 0.31 -0.51 4.01 3.79 1ot5A1 GLY 365 HA3 -0.01 0.18 0.55 -0.51 4.01 4.22 1ot5A1 GLU 366 H -0.21 0.39 -0.40 -0.55 8.60 7.84 1ot5A1 GLU 366 HA 0.01 0.24 0.97 -0.75 4.29 4.76 1ot5A1 GLU 366 HB2 -0.84 0.01 0.11 -0.04 2.09 1.32 1ot5A1 GLU 366 HB3 -0.23 0.07 0.06 -0.04 1.99 1.85 1ot5A1 GLU 366 HG2 -0.75 0.02 -0.07 -0.04 2.34 1.50 1ot5A1 GLU 366 HG3 -1.53 -0.02 0.05 -0.04 2.34 0.80 1ot5A1 TYR 367 H 0.45 0.27 0.20 -0.55 8.29 8.66 1ot5A1 TYR 367 HA 0.14 0.02 0.75 -0.75 4.56 4.72 1ot5A1 TYR 367 HB2 -0.17 0.13 -0.13 -0.04 3.06 2.85 1ot5A1 TYR 367 HB3 -0.06 0.03 -0.07 -0.04 2.98 2.84 1ot5A1 TYR 367 HD2 0.01 0.03 -0.20 -0.04 7.15 6.95 1ot5A1 TYR 367 HE2 0.01 0.02 -0.07 -0.04 6.85 6.77 1ot5A1 ILE 368 H 0.14 0.65 0.13 -0.55 8.25 8.62 1ot5A1 ILE 368 HA -0.08 0.11 0.68 -0.75 4.18 4.14 1ot5A1 ILE 368 HB -0.01 -0.07 -0.10 -0.04 1.89 1.66 1ot5A1 ILE 368 HG12 0.05 -0.18 -0.22 -0.04 1.49 1.10 1ot5A1 ILE 368 HG13 -0.13 0.08 -0.13 -0.04 1.21 0.99 1ot5A1 ILE 368 HG23 -0.15 0.01 -0.28 -0.04 0.93 0.47 1ot5A1 ILE 368 HD13 -0.52 0.04 -0.23 -0.04 0.88 0.13 1ot5A1 HIS 369 H 0.15 0.17 0.12 -0.55 8.41 8.31 1ot5A1 HIS 369 HA 0.05 0.30 0.90 -0.75 4.63 5.12 1ot5A1 HIS 369 HB2 0.03 -0.05 0.02 -0.04 3.26 3.22 1ot5A1 HIS 369 HB3 0.02 -0.00 -0.02 -0.04 3.20 3.15 1ot5A1 HIS 369 HD2 0.12 -0.00 0.07 -0.04 6.97 7.12 1ot5A1 HIS 369 HE1 0.10 0.01 0.03 -0.04 7.75 7.85 1ot5A1 SER 370 H 0.02 0.46 0.26 -0.55 8.46 8.66 1ot5A1 SER 370 HA 0.06 0.13 0.56 -0.75 4.49 4.49 1ot5A1 SER 370 HB2 0.04 0.07 -0.33 -0.04 3.95 3.68 1ot5A1 SER 370 HB3 -0.06 -0.00 -0.04 -0.04 3.93 3.78 1ot5A1 SER 371 H -0.00 0.15 0.10 -0.55 8.46 8.17 1ot5A1 SER 371 HA -0.04 0.09 0.64 -0.75 4.49 4.42 1ot5A1 SER 371 HB2 0.06 0.03 0.03 -0.04 3.95 4.03 1ot5A1 SER 371 HB3 0.05 0.00 0.04 -0.04 3.93 3.97 1ot5A1 ASP 372 H 0.00 0.40 0.23 -0.55 8.40 8.48 1ot5A1 ASP 372 HA -0.04 0.08 0.63 -0.75 4.63 4.54 1ot5A1 ASP 372 HB2 -0.08 -0.09 -0.59 -0.04 2.71 1.91 1ot5A1 ASP 372 HB3 -0.05 0.20 -0.35 -0.04 2.70 2.46 1ot5A1 ILE 373 H 0.01 0.11 0.08 -0.55 8.25 7.89 1ot5A1 ILE 373 HA 0.00 0.08 0.66 -0.75 4.18 4.17 1ot5A1 ILE 373 HB 0.00 0.00 0.10 -0.04 1.89 1.96 1ot5A1 ILE 373 HG12 0.08 -0.09 0.01 -0.04 1.49 1.45 1ot5A1 ILE 373 HG13 0.03 0.07 -0.25 -0.04 1.21 1.01 1ot5A1 ILE 373 HG23 0.05 0.02 0.02 -0.04 0.93 0.98 1ot5A1 ILE 373 HD13 0.12 0.04 -0.20 -0.04 0.88 0.80 1ot5A1 ASN 374 H -0.02 0.13 0.15 -0.55 8.53 8.25 1ot5A1 ASN 374 HA -0.01 0.06 0.32 -0.75 4.76 4.38 1ot5A1 ASN 374 HB2 -0.00 0.19 -0.01 -0.04 2.88 3.02 1ot5A1 ASN 374 HB3 -0.00 0.05 0.19 -0.04 2.79 2.98 1ot5A1 ASN 374 HD21 0.01 0.03 -0.09 -0.04 7.03 6.94 1ot5A1 ASN 374 HD22 0.00 0.04 -0.16 -0.04 7.74 7.58 1ot5A1 GLY 375 H 0.02 -0.01 -0.18 -0.55 8.43 7.72 1ot5A1 GLY 375 HA2 0.16 -0.08 0.28 -0.51 4.01 3.86 1ot5A1 GLY 375 HA3 0.08 0.07 0.32 -0.51 4.01 3.96 1ot5A1 ARG 376 H 0.04 0.24 -0.66 -0.55 8.46 7.53 1ot5A1 ARG 376 HA 0.02 0.13 0.67 -0.75 4.34 4.41 1ot5A1 ARG 376 HB2 -0.00 0.10 -0.03 -0.04 1.90 1.93 1ot5A1 ARG 376 HB3 -0.02 -0.01 -0.08 -0.04 1.80 1.64 1ot5A1 ARG 376 HG2 -0.04 -0.04 0.00 -0.04 1.67 1.56 1ot5A1 ARG 376 HG3 -0.04 0.12 0.10 -0.04 1.67 1.81 1ot5A1 ARG 376 HD2 -0.00 0.01 0.11 -0.04 3.22 3.30 1ot5A1 ARG 376 HD3 -0.01 0.03 0.02 -0.04 3.22 3.22 1ot5A1 CYS 377 H -0.06 0.16 0.15 -0.55 8.50 8.20 1ot5A1 CYS 377 HA -0.10 0.09 0.93 -0.75 4.58 4.74 1ot5A1 CYS 377 HB2 -0.07 0.02 -0.02 -0.04 2.97 2.85 1ot5A1 CYS 377 HB3 -0.09 0.07 0.06 -0.04 2.97 2.96 1ot5A1 SER 378 H -0.05 0.88 0.23 -0.55 8.46 8.97 1ot5A1 SER 378 HA -0.09 0.10 0.79 -0.75 4.49 4.54 1ot5A1 SER 378 HB2 -0.12 0.01 -0.24 -0.04 3.95 3.56 1ot5A1 SER 378 HB3 -0.08 0.03 -0.11 -0.04 3.93 3.73 1ot5A1 ASN 379 H -0.10 0.17 0.12 -0.55 8.53 8.18 1ot5A1 ASN 379 HA -0.20 0.23 0.92 -0.75 4.76 4.96 1ot5A1 ASN 379 HB2 -0.07 0.01 0.02 -0.04 2.88 2.81 1ot5A1 ASN 379 HB3 0.00 0.05 0.14 -0.04 2.79 2.93 1ot5A1 ASN 379 HD21 0.02 0.00 -0.15 -0.04 7.03 6.85 1ot5A1 ASN 379 HD22 -0.02 0.02 -0.09 -0.04 7.74 7.62 1ot5A1 SER 380 H -0.13 -0.00 -0.04 -0.55 8.46 7.75 1ot5A1 SER 380 HA -0.54 0.25 0.77 -0.75 4.49 4.22 1ot5A1 SER 380 HB2 -0.17 -0.04 0.02 -0.04 3.95 3.72 1ot5A1 SER 380 HB3 -0.30 0.01 0.13 -0.04 3.93 3.73 1ot5A1 HIS 381 H 0.05 0.29 -0.02 -0.55 8.41 8.19 1ot5A1 HIS 381 HA 0.03 0.04 0.51 -0.75 4.63 4.46 1ot5A1 HIS 381 HB2 -0.04 -0.06 0.03 -0.04 3.26 3.15 1ot5A1 HIS 381 HB3 -0.04 0.17 0.03 -0.04 3.20 3.31 1ot5A1 HIS 381 HD2 -0.07 0.06 -0.16 -0.04 6.97 6.76 1ot5A1 HIS 381 HE1 -0.26 -0.02 -0.05 -0.04 7.75 7.37 1ot5A1 GLY 382 H -0.27 0.23 0.19 -0.55 8.43 8.03 1ot5A1 GLY 382 HA2 -0.14 0.02 0.44 -0.51 4.01 3.83 1ot5A1 GLY 382 HA3 -0.04 0.07 0.41 -0.51 4.01 3.94 1ot5A1 GLY 383 H -0.23 0.11 0.15 -0.55 8.43 7.91 1ot5A1 GLY 383 HA2 -1.14 0.10 0.34 -0.51 4.01 2.81 1ot5A1 GLY 383 HA3 -0.32 0.12 0.58 -0.51 4.01 3.88 1ot5A1 THR 384 H 0.01 0.19 0.08 -0.55 8.28 8.01 1ot5A1 THR 384 HA 0.13 0.19 0.39 -0.75 4.39 4.35 1ot5A1 THR 384 HB 0.10 0.08 0.15 -0.04 4.32 4.61 1ot5A1 THR 384 HG23 0.21 0.05 0.08 -0.04 1.22 1.52 1ot5A1 SER 385 H 0.03 0.09 -0.23 -0.55 8.46 7.79 1ot5A1 SER 385 HA 0.07 0.04 0.40 -0.75 4.49 4.25 1ot5A1 SER 385 HB2 0.30 0.03 0.18 -0.04 3.95 4.42 1ot5A1 SER 385 HB3 0.20 0.02 0.08 -0.04 3.93 4.20 1ot5A1 ALA 386 H -0.08 0.31 -0.85 -0.55 8.40 7.24 1ot5A1 ALA 386 HA -0.06 0.14 0.71 -0.75 4.34 4.38 1ot5A1 ALA 386 HB3 -0.49 -0.01 -0.10 -0.04 1.41 0.78 1ot5A1 ALA 387 H 0.01 0.26 -0.11 -0.55 8.40 8.01 1ot5A1 ALA 387 HA 0.01 0.32 0.62 -0.75 4.34 4.54 1ot5A1 ALA 387 HB3 0.05 -0.00 -0.06 -0.04 1.41 1.36 1ot5A1 ALA 388 H 0.03 0.34 0.00 -0.55 8.40 8.22 1ot5A1 ALA 388 HA 0.03 0.08 0.26 -0.75 4.34 3.96 1ot5A1 ALA 388 HB3 0.03 0.01 -0.21 -0.04 1.41 1.20 1ot5A1 PRO 389 HA 0.03 0.04 0.31 -0.51 4.44 4.31 1ot5A1 PRO 389 HB2 0.04 0.10 -0.09 -0.04 2.28 2.28 1ot5A1 PRO 389 HB3 0.04 0.13 0.01 -0.04 2.02 2.16 1ot5A1 PRO 389 HG2 0.07 0.10 0.06 -0.04 2.03 2.22 1ot5A1 PRO 389 HG3 0.04 -0.04 -0.06 -0.04 2.03 1.93 1ot5A1 PRO 389 HD2 0.02 0.01 -0.75 -0.04 3.68 2.93 1ot5A1 PRO 389 HD3 0.03 0.01 -0.18 -0.04 3.65 3.47 1ot5A1 LEU 390 H -0.00 0.36 -0.54 -0.55 8.37 7.64 1ot5A1 LEU 390 HA 0.02 0.06 0.40 -0.75 4.35 4.08 1ot5A1 LEU 390 HB2 -0.01 0.23 0.13 -0.04 1.64 1.95 1ot5A1 LEU 390 HB3 0.02 -0.06 0.00 -0.04 1.64 1.56 1ot5A1 LEU 390 HG -0.09 0.19 0.07 -0.04 1.64 1.78 1ot5A1 LEU 390 HD13 -0.07 -0.00 0.03 -0.04 0.93 0.85 1ot5A1 LEU 390 HD23 -0.01 -0.03 -0.02 -0.04 0.89 0.80 1ot5A1 ALA 391 H -0.05 0.41 -0.19 -0.55 8.40 8.03 1ot5A1 ALA 391 HA -0.27 0.04 0.41 -0.75 4.34 3.77 1ot5A1 ALA 391 HB3 -0.14 0.04 0.00 -0.04 1.41 1.27 1ot5A1 ALA 392 H -0.04 0.58 -0.14 -0.55 8.40 8.25 1ot5A1 ALA 392 HA 0.13 0.05 0.27 -0.75 4.34 4.03 1ot5A1 ALA 392 HB3 0.06 0.02 -0.03 -0.04 1.41 1.41 1ot5A1 GLY 393 H -0.01 0.44 -0.42 -0.55 8.43 7.88 1ot5A1 GLY 393 HA2 0.04 0.04 0.37 -0.51 4.01 3.96 1ot5A1 GLY 393 HA3 0.04 0.04 0.31 -0.51 4.01 3.89 1ot5A1 VAL 394 H -0.11 0.52 -0.19 -0.55 8.24 7.91 1ot5A1 VAL 394 HA -0.03 0.02 0.43 -0.75 4.13 3.80 1ot5A1 VAL 394 HB -0.27 0.13 0.14 -0.04 2.12 2.08 1ot5A1 VAL 394 HG13 -0.06 -0.02 -0.13 -0.04 0.97 0.72 1ot5A1 VAL 394 HG23 -0.06 0.02 0.04 -0.04 0.95 0.91 1ot5A1 TYR 395 H -0.16 0.56 -0.27 -0.55 8.29 7.87 1ot5A1 TYR 395 HA 0.01 0.02 0.39 -0.75 4.56 4.23 1ot5A1 TYR 395 HB2 0.03 0.10 0.02 -0.04 3.06 3.17 1ot5A1 TYR 395 HB3 0.03 -0.00 -0.03 -0.04 2.98 2.93 1ot5A1 TYR 395 HD2 0.02 -0.05 -0.17 -0.04 7.15 6.92 1ot5A1 TYR 395 HE2 0.03 -0.01 -0.16 -0.04 6.85 6.67 1ot5A1 THR 396 H 0.08 0.35 -0.61 -0.55 8.28 7.55 1ot5A1 THR 396 HA 0.06 0.03 0.35 -0.75 4.39 4.08 1ot5A1 THR 396 HB 0.05 0.14 0.18 -0.04 4.32 4.64 1ot5A1 THR 396 HG23 0.03 -0.04 -0.13 -0.04 1.22 1.04 1ot5A1 LEU 397 H 0.05 0.31 -0.35 -0.55 8.37 7.83 1ot5A1 LEU 397 HA 0.03 -0.08 0.41 -0.75 4.35 3.96 1ot5A1 LEU 397 HB2 0.02 0.17 0.07 -0.04 1.64 1.86 1ot5A1 LEU 397 HB3 0.02 -0.04 -0.05 -0.04 1.64 1.53 1ot5A1 LEU 397 HG 0.04 0.14 -0.03 -0.04 1.64 1.75 1ot5A1 LEU 397 HD13 -0.02 -0.00 -0.04 -0.04 0.93 0.82 1ot5A1 LEU 397 HD23 0.08 0.05 -0.30 -0.04 0.89 0.67 1ot5A1 LEU 398 H 0.08 0.38 -0.16 -0.55 8.37 8.12 1ot5A1 LEU 398 HA 0.03 0.04 0.40 -0.75 4.35 4.06 1ot5A1 LEU 398 HB2 0.10 -0.02 -0.01 -0.04 1.64 1.67 1ot5A1 LEU 398 HB3 0.14 0.05 0.09 -0.04 1.64 1.88 1ot5A1 LEU 398 HG 0.01 0.06 -0.31 -0.04 1.64 1.36 1ot5A1 LEU 398 HD13 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1ot5A1 LEU 398 HD23 0.00 -0.02 -0.10 -0.04 0.89 0.73 1ot5A1 LEU 399 H 0.06 0.54 -0.29 -0.55 8.37 8.13 1ot5A1 LEU 399 HA 0.03 0.14 0.29 -0.75 4.35 4.05 1ot5A1 LEU 399 HB2 0.04 0.04 0.01 -0.04 1.64 1.68 1ot5A1 LEU 399 HB3 0.03 0.00 0.00 -0.04 1.64 1.63 1ot5A1 LEU 399 HG 0.05 0.13 -0.01 -0.04 1.64 1.77 1ot5A1 LEU 399 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 1ot5A1 LEU 399 HD23 0.02 0.01 -0.13 -0.04 0.89 0.75 1ot5A1 GLU 400 H 0.03 0.17 -0.54 -0.55 8.60 7.71 1ot5A1 GLU 400 HA 0.02 0.14 0.52 -0.75 4.29 4.22 1ot5A1 GLU 400 HB2 0.02 0.02 0.08 -0.04 2.09 2.17 1ot5A1 GLU 400 HB3 0.02 0.00 0.08 -0.04 1.99 2.05 1ot5A1 GLU 400 HG2 0.02 0.02 0.06 -0.04 2.34 2.40 1ot5A1 GLU 400 HG3 0.01 0.51 0.09 -0.04 2.34 2.91 1ot5A1 ALA 401 H 0.02 0.28 -0.22 -0.55 8.40 7.93 1ot5A1 ALA 401 HA 0.02 0.06 0.52 -0.75 4.34 4.19 1ot5A1 ALA 401 HB3 0.01 -0.01 0.09 -0.04 1.41 1.46 1ot5A1 ASN 402 H 0.03 0.32 -0.35 -0.55 8.53 7.98 1ot5A1 ASN 402 HA 0.04 0.12 0.61 -0.75 4.76 4.78 1ot5A1 ASN 402 HB2 0.04 0.05 -0.26 -0.04 2.88 2.68 1ot5A1 ASN 402 HB3 0.04 -0.01 0.12 -0.04 2.79 2.90 1ot5A1 ASN 402 HD21 0.15 0.01 0.03 -0.04 7.03 7.18 1ot5A1 ASN 402 HD22 0.11 0.20 -0.02 -0.04 7.74 7.99 1ot5A1 PRO 403 HA 0.03 0.11 0.44 -0.51 4.44 4.51 1ot5A1 PRO 403 HB2 0.03 -0.05 -0.01 -0.04 2.28 2.20 1ot5A1 PRO 403 HB3 0.02 0.01 0.13 -0.04 2.02 2.15 1ot5A1 PRO 403 HG2 0.02 -0.04 0.03 -0.04 2.03 2.00 1ot5A1 PRO 403 HG3 0.02 0.27 0.08 -0.04 2.03 2.36 1ot5A1 PRO 403 HD2 0.03 0.02 0.03 -0.04 3.68 3.73 1ot5A1 PRO 403 HD3 0.03 0.22 -0.40 -0.04 3.65 3.46 1ot5A1 ASN 404 H 0.05 0.05 -0.55 -0.55 8.53 7.53 1ot5A1 ASN 404 HA 0.05 0.17 0.56 -0.75 4.76 4.79 1ot5A1 ASN 404 HB2 0.05 0.02 -0.02 -0.04 2.88 2.89 1ot5A1 ASN 404 HB3 0.04 -0.03 0.11 -0.04 2.79 2.87 1ot5A1 ASN 404 HD21 0.03 -0.01 -0.01 -0.04 7.03 6.99 1ot5A1 ASN 404 HD22 0.04 0.05 -0.01 -0.04 7.74 7.77 1ot5A1 LEU 405 H 0.06 0.41 -0.26 -0.55 8.37 8.03 1ot5A1 LEU 405 HA 0.11 -0.10 0.46 -0.75 4.35 4.07 1ot5A1 LEU 405 HB2 0.04 0.22 0.09 -0.04 1.64 1.94 1ot5A1 LEU 405 HB3 0.03 -0.02 -0.13 -0.04 1.64 1.47 1ot5A1 LEU 405 HG -0.03 -0.12 -0.14 -0.04 1.64 1.32 1ot5A1 LEU 405 HD13 0.19 -0.01 -0.05 -0.04 0.93 1.02 1ot5A1 LEU 405 HD23 -0.01 0.04 -0.04 -0.04 0.89 0.83 1ot5A1 THR 406 H 0.09 -0.05 0.25 -0.55 8.28 8.02 1ot5A1 THR 406 HA 0.14 0.39 0.74 -0.75 4.39 4.91 1ot5A1 THR 406 HB -0.01 -0.31 0.18 -0.04 4.32 4.14 1ot5A1 THR 406 HG23 0.04 0.02 0.23 -0.04 1.22 1.47 1ot5A1 TRP 407 H 0.45 0.72 0.35 -0.55 7.97 8.95 1ot5A1 TRP 407 HA 0.05 0.08 0.29 -0.75 4.62 4.28 1ot5A1 TRP 407 HB2 0.14 -0.01 0.04 -0.04 3.23 3.36 1ot5A1 TRP 407 HB3 0.10 0.15 0.04 -0.04 3.23 3.48 1ot5A1 TRP 407 HD1 0.12 0.36 0.19 -0.04 7.22 7.86 1ot5A1 TRP 407 HE1 0.17 0.01 0.01 -0.04 10.20 10.35 1ot5A1 TRP 407 HE3 0.24 0.02 -0.17 -0.04 7.59 7.64 1ot5A1 TRP 407 HZ2 0.31 -0.03 -0.04 -0.04 7.44 7.64 1ot5A1 TRP 407 HZ3 0.22 0.28 -0.04 -0.04 7.13 7.54 1ot5A1 TRP 407 HH2 0.13 -0.08 -0.11 -0.04 7.19 7.09 1ot5A1 ARG 408 H -0.79 0.15 -0.17 -0.55 8.46 7.09 1ot5A1 ARG 408 HA -0.28 0.13 0.53 -0.75 4.34 3.96 1ot5A1 ARG 408 HB2 -0.49 0.03 0.08 -0.04 1.90 1.48 1ot5A1 ARG 408 HB3 -0.02 -0.00 -0.04 -0.04 1.80 1.70 1ot5A1 ARG 408 HG2 -0.87 0.03 0.00 -0.04 1.67 0.78 1ot5A1 ARG 408 HG3 -2.56 0.03 0.00 -0.04 1.67 -0.90 1ot5A1 ARG 408 HD2 -0.11 -0.03 -0.05 -0.04 3.22 2.99 1ot5A1 ARG 408 HD3 -0.17 -0.02 -0.01 -0.04 3.22 2.97 1ot5A1 ASP 409 H -0.01 0.17 -0.24 -0.55 8.40 7.78 1ot5A1 ASP 409 HA 0.19 0.02 0.42 -0.75 4.63 4.51 1ot5A1 ASP 409 HB2 0.08 0.14 0.19 -0.04 2.71 3.08 1ot5A1 ASP 409 HB3 0.10 0.06 -0.01 -0.04 2.70 2.81 1ot5A1 VAL 410 H -0.00 0.54 -0.28 -0.55 8.24 7.94 1ot5A1 VAL 410 HA -0.16 0.03 0.32 -0.75 4.13 3.57 1ot5A1 VAL 410 HB -0.06 0.20 0.04 -0.04 2.12 2.25 1ot5A1 VAL 410 HG13 -0.57 -0.03 -0.16 -0.04 0.97 0.17 1ot5A1 VAL 410 HG23 -0.06 0.06 -0.12 -0.04 0.95 0.78 1ot5A1 GLN 411 H 0.02 0.32 -0.36 -0.55 8.47 7.91 1ot5A1 GLN 411 HA -0.12 -0.00 0.39 -0.75 4.36 3.88 1ot5A1 GLN 411 HB2 0.15 0.14 0.15 -0.04 2.15 2.56 1ot5A1 GLN 411 HB3 -0.21 -0.05 0.00 -0.04 2.02 1.72 1ot5A1 GLN 411 HG2 0.13 -0.08 -0.03 -0.04 2.40 2.37 1ot5A1 GLN 411 HG3 0.23 0.21 0.05 -0.04 2.39 2.84 1ot5A1 GLN 411 HE21 0.65 0.32 -0.08 -0.04 6.97 7.81 1ot5A1 GLN 411 HE22 0.60 -0.02 -0.16 -0.04 7.69 8.08 1ot5A1 TYR 412 H 0.14 0.48 -0.12 -0.55 8.29 8.24 1ot5A1 TYR 412 HA -0.38 0.01 0.41 -0.75 4.56 3.85 1ot5A1 TYR 412 HB2 -0.10 0.07 0.22 -0.04 3.06 3.21 1ot5A1 TYR 412 HB3 -0.30 0.01 -0.04 -0.04 2.98 2.60 1ot5A1 TYR 412 HD2 0.31 0.16 -0.04 -0.04 7.15 7.53 1ot5A1 TYR 412 HE2 0.25 -0.02 -0.05 -0.04 6.85 6.99 1ot5A1 LEU 413 H -0.38 0.67 -0.12 -0.55 8.37 8.00 1ot5A1 LEU 413 HA -0.51 0.02 0.35 -0.75 4.35 3.45 1ot5A1 LEU 413 HB2 -0.34 0.11 0.11 -0.04 1.64 1.48 1ot5A1 LEU 413 HB3 -0.25 -0.03 -0.09 -0.04 1.64 1.22 1ot5A1 LEU 413 HG -0.47 0.01 -0.11 -0.04 1.64 1.04 1ot5A1 LEU 413 HD13 -1.95 0.02 -0.07 -0.04 0.93 -1.12 1ot5A1 LEU 413 HD23 -0.34 -0.00 -0.10 -0.04 0.89 0.40 1ot5A1 SER 414 H -0.18 0.59 -0.23 -0.55 8.46 8.08 1ot5A1 SER 414 HA -0.02 -0.06 0.29 -0.75 4.49 3.95 1ot5A1 SER 414 HB2 -0.10 0.11 0.12 -0.04 3.95 4.04 1ot5A1 SER 414 HB3 0.04 -0.09 -0.11 -0.04 3.93 3.73 1ot5A1 ILE 415 H -0.38 0.58 -0.19 -0.55 8.25 7.71 1ot5A1 ILE 415 HA -0.34 0.01 0.39 -0.75 4.18 3.49 1ot5A1 ILE 415 HB -0.79 0.10 0.20 -0.04 1.89 1.36 1ot5A1 ILE 415 HG12 -0.69 -0.05 0.06 -0.04 1.49 0.76 1ot5A1 ILE 415 HG13 -0.75 0.24 0.12 -0.04 1.21 0.79 1ot5A1 ILE 415 HG23 -1.60 -0.02 -0.13 -0.04 0.93 -0.86 1ot5A1 ILE 415 HD13 -2.16 -0.04 -0.02 -0.04 0.88 -1.38 1ot5A1 LEU 416 H -0.31 0.62 0.00 -0.55 8.37 8.13 1ot5A1 LEU 416 HA -0.15 0.08 0.43 -0.75 4.35 3.96 1ot5A1 LEU 416 HB2 -0.18 0.04 0.07 -0.04 1.64 1.53 1ot5A1 LEU 416 HB3 -0.04 -0.05 0.03 -0.04 1.64 1.53 1ot5A1 LEU 416 HG -0.15 0.01 0.07 -0.04 1.64 1.53 1ot5A1 LEU 416 HD13 0.17 -0.03 -0.05 -0.04 0.93 0.98 1ot5A1 LEU 416 HD23 -0.00 -0.01 0.04 -0.04 0.89 0.87 1ot5A1 SER 417 H -0.13 0.50 -0.28 -0.55 8.46 8.00 1ot5A1 SER 417 HA -0.03 0.15 0.80 -0.75 4.49 4.65 1ot5A1 SER 417 HB2 -0.03 -0.17 -0.17 -0.04 3.95 3.54 1ot5A1 SER 417 HB3 -0.07 -0.01 -0.04 -0.04 3.93 3.77 1ot5A1 ALA 418 H -0.03 0.36 -0.29 -0.55 8.40 7.88 1ot5A1 ALA 418 HA 0.03 -0.06 0.28 -0.75 4.34 3.83 1ot5A1 ALA 418 HB3 0.10 0.02 -0.28 -0.04 1.41 1.20 1ot5A1 VAL 419 H 0.03 0.63 0.27 -0.55 8.24 8.62 1ot5A1 VAL 419 HA -0.01 0.11 0.73 -0.75 4.13 4.21 1ot5A1 VAL 419 HB 0.01 -0.07 0.16 -0.04 2.12 2.19 1ot5A1 VAL 419 HG13 -0.02 0.01 -0.05 -0.04 0.97 0.87 1ot5A1 VAL 419 HG23 0.01 0.01 0.05 -0.04 0.95 0.98 1ot5A1 GLY 420 H -0.06 0.17 0.21 -0.55 8.43 8.20 1ot5A1 GLY 420 HA2 -0.12 0.17 0.40 -0.51 4.01 3.95 1ot5A1 GLY 420 HA3 -0.29 -0.01 0.35 -0.51 4.01 3.56 1ot5A1 LEU 421 H -0.55 0.22 -0.01 -0.55 8.37 7.49 1ot5A1 LEU 421 HA -0.24 0.21 0.79 -0.75 4.35 4.35 1ot5A1 LEU 421 HB2 -0.01 0.00 0.05 -0.04 1.64 1.65 1ot5A1 LEU 421 HB3 -0.32 -0.05 0.18 -0.04 1.64 1.41 1ot5A1 LEU 421 HG -0.06 0.10 -0.16 -0.04 1.64 1.48 1ot5A1 LEU 421 HD13 -0.17 0.00 -0.12 -0.04 0.93 0.60 1ot5A1 LEU 421 HD23 -0.10 0.04 -0.02 -0.04 0.89 0.77 1ot5A1 GLU 422 H -0.79 0.22 -0.40 -0.55 8.60 7.09 1ot5A1 GLU 422 HA -2.13 0.08 0.23 -0.75 4.29 1.72 1ot5A1 GLU 422 HB2 -0.72 0.02 0.01 -0.04 2.09 1.37 1ot5A1 GLU 422 HB3 -0.42 0.04 -0.11 -0.04 1.99 1.47 1ot5A1 GLU 422 HG2 -0.37 0.00 0.01 -0.04 2.34 1.94 1ot5A1 GLU 422 HG3 -0.90 -0.00 -0.03 -0.04 2.34 1.36 1ot5A1 LYS 423 H -0.25 0.10 -0.55 -0.55 8.42 7.15 1ot5A1 LYS 423 HA -0.08 0.13 0.50 -0.75 4.32 4.12 1ot5A1 LYS 423 HB2 -0.10 0.04 -0.01 -0.04 1.87 1.75 1ot5A1 LYS 423 HB3 -0.05 0.00 0.08 -0.04 1.79 1.78 1ot5A1 LYS 423 HG2 -0.09 0.02 -0.07 -0.04 1.46 1.29 1ot5A1 LYS 423 HG3 -0.14 -0.04 -0.11 -0.04 1.46 1.13 1ot5A1 LYS 423 HD2 -0.07 0.03 -0.02 -0.04 1.69 1.59 1ot5A1 LYS 423 HD3 -0.05 -0.01 -0.01 -0.04 1.68 1.58 1ot5A1 LYS 423 HE2 -0.06 -0.01 -0.04 -0.04 2.99 2.85 1ot5A1 LYS 423 HE3 -0.08 0.01 -0.04 -0.04 2.99 2.83 1ot5A1 ASN 424 H -0.04 0.59 -0.37 -0.55 8.53 8.17 1ot5A1 ASN 424 HA 0.06 0.10 0.71 -0.75 4.76 4.87 1ot5A1 ASN 424 HB2 -0.08 0.25 0.21 -0.04 2.88 3.22 1ot5A1 ASN 424 HB3 0.15 -0.14 0.10 -0.04 2.79 2.86 1ot5A1 ASN 424 HD21 -0.04 0.68 0.23 -0.04 7.03 7.86 1ot5A1 ASN 424 HD22 -0.08 -0.15 0.01 -0.04 7.74 7.49 1ot5A1 ALA 425 H 0.08 0.33 -0.08 -0.55 8.40 8.19 1ot5A1 ALA 425 HA 0.20 0.12 0.32 -0.75 4.34 4.22 1ot5A1 ALA 425 HB3 0.06 0.02 0.07 -0.04 1.41 1.53 1ot5A1 ASP 426 H 0.12 0.07 -0.41 -0.55 8.40 7.63 1ot5A1 ASP 426 HA 0.00 0.09 0.35 -0.75 4.63 4.33 1ot5A1 ASP 426 HB2 -0.03 0.04 0.09 -0.04 2.71 2.76 1ot5A1 ASP 426 HB3 0.04 -0.02 0.06 -0.04 2.70 2.74 1ot5A1 GLY 427 H 0.22 0.54 -0.54 -0.55 8.43 8.11 1ot5A1 GLY 427 HA2 -0.28 0.02 0.45 -0.51 4.01 3.69 1ot5A1 GLY 427 HA3 -0.19 0.04 0.21 -0.51 4.01 3.56 1ot5A1 ASP 428 H -0.04 0.44 -0.32 -0.55 8.40 7.93 1ot5A1 ASP 428 HA -0.01 0.05 0.31 -0.75 4.63 4.22 1ot5A1 ASP 428 HB2 -0.12 0.02 -0.04 -0.04 2.71 2.53 1ot5A1 ASP 428 HB3 -0.21 -0.00 -0.01 -0.04 2.70 2.43 1ot5A1 TRP 429 H 0.27 0.04 -0.13 -0.55 7.97 7.62 1ot5A1 TRP 429 HA -0.03 0.27 0.47 -0.75 4.62 4.57 1ot5A1 TRP 429 HB2 -0.01 -0.03 0.04 -0.04 3.23 3.18 1ot5A1 TRP 429 HB3 -0.00 -0.00 -0.14 -0.04 3.23 3.04 1ot5A1 TRP 429 HD1 -0.01 -0.01 -0.11 -0.04 7.22 7.06 1ot5A1 TRP 429 HE1 -0.06 0.25 -0.10 -0.04 10.20 10.25 1ot5A1 TRP 429 HE3 -0.03 0.02 -0.64 -0.04 7.59 6.90 1ot5A1 TRP 429 HZ2 -0.37 0.05 -0.20 -0.04 7.44 6.88 1ot5A1 TRP 429 HZ3 -0.04 0.30 -0.24 -0.04 7.13 7.12 1ot5A1 TRP 429 HH2 -0.04 0.05 -0.34 -0.04 7.19 6.82 1ot5A1 ARG 430 H 0.15 0.66 0.41 -0.55 8.46 9.13 1ot5A1 ARG 430 HA 0.12 0.14 0.93 -0.75 4.34 4.78 1ot5A1 ARG 430 HB2 0.11 0.06 0.12 -0.04 1.90 2.15 1ot5A1 ARG 430 HB3 0.07 -0.07 0.18 -0.04 1.80 1.94 1ot5A1 ARG 430 HG2 0.03 -0.04 -0.06 -0.04 1.67 1.56 1ot5A1 ARG 430 HG3 0.02 0.10 -0.44 -0.04 1.67 1.31 1ot5A1 ARG 430 HD2 0.04 0.03 0.06 -0.04 3.22 3.31 1ot5A1 ARG 430 HD3 0.01 -0.06 0.05 -0.04 3.22 3.18 1ot5A1 ASP 431 H 0.09 0.10 0.16 -0.55 8.40 8.21 1ot5A1 ASP 431 HA 0.13 0.04 0.47 -0.75 4.63 4.52 1ot5A1 ASP 431 HB2 0.07 -0.02 0.07 -0.04 2.71 2.79 1ot5A1 ASP 431 HB3 0.08 0.10 0.07 -0.04 2.70 2.91 1ot5A1 SER 432 H 0.15 0.23 0.27 -0.55 8.46 8.57 1ot5A1 SER 432 HA 0.13 0.20 0.77 -0.75 4.49 4.84 1ot5A1 SER 432 HB2 0.26 0.14 0.20 -0.04 3.95 4.51 1ot5A1 SER 432 HB3 0.27 -0.00 -0.01 -0.04 3.93 4.15 1ot5A1 ALA 433 H 0.19 0.36 0.09 -0.55 8.40 8.49 1ot5A1 ALA 433 HA 0.11 0.15 0.87 -0.75 4.34 4.72 1ot5A1 ALA 433 HB3 0.14 0.03 -0.06 -0.04 1.41 1.49 1ot5A1 MET 434 H 0.18 0.08 -0.26 -0.55 8.47 7.93 1ot5A1 MET 434 HA 0.10 0.25 0.87 -0.75 4.52 4.99 1ot5A1 MET 434 HB2 0.07 0.02 0.00 -0.04 2.15 2.20 1ot5A1 MET 434 HB3 -0.11 0.06 0.09 -0.04 2.03 2.03 1ot5A1 MET 434 HG2 0.14 0.03 -0.10 -0.04 2.63 2.66 1ot5A1 MET 434 HG3 -0.43 0.00 -0.06 -0.04 2.56 2.03 1ot5A1 MET 434 HE3 -0.25 -0.01 -0.03 -0.04 2.10 1.78 1ot5A1 GLY 435 H 0.10 0.08 -0.26 -0.55 8.43 7.80 1ot5A1 GLY 435 HA2 0.07 -0.04 0.26 -0.51 4.01 3.79 1ot5A1 GLY 435 HA3 0.06 0.14 0.48 -0.51 4.01 4.18 1ot5A1 LYS 436 H 0.14 0.14 -0.16 -0.55 8.42 7.98 1ot5A1 LYS 436 HA 0.07 0.02 0.48 -0.75 4.32 4.15 1ot5A1 LYS 436 HB2 0.12 -0.00 0.08 -0.04 1.87 2.03 1ot5A1 LYS 436 HB3 0.07 0.14 -0.05 -0.04 1.79 1.90 1ot5A1 LYS 436 HG2 0.08 0.11 -0.36 -0.04 1.46 1.25 1ot5A1 LYS 436 HG3 0.32 -0.12 -0.26 -0.04 1.46 1.36 1ot5A1 LYS 436 HD2 0.04 0.05 -0.06 -0.04 1.69 1.68 1ot5A1 LYS 436 HD3 0.31 0.08 -0.01 -0.04 1.68 2.02 1ot5A1 LYS 436 HE2 0.05 -0.17 0.01 -0.04 2.99 2.84 1ot5A1 LYS 436 HE3 0.01 0.00 -0.02 -0.04 2.99 2.95 1ot5A1 LYS 437 H 0.10 0.07 0.10 -0.55 8.42 8.14 1ot5A1 LYS 437 HA 0.24 0.09 0.61 -0.75 4.32 4.51 1ot5A1 LYS 437 HB2 0.28 -0.07 -0.06 -0.04 1.87 1.99 1ot5A1 LYS 437 HB3 0.33 0.08 -0.13 -0.04 1.79 2.02 1ot5A1 LYS 437 HG2 0.08 -0.09 -0.08 -0.04 1.46 1.33 1ot5A1 LYS 437 HG3 -0.00 -0.02 -0.05 -0.04 1.46 1.35 1ot5A1 LYS 437 HD2 0.13 -0.02 -0.37 -0.04 1.69 1.38 1ot5A1 LYS 437 HD3 0.06 -0.01 -0.13 -0.04 1.68 1.56 1ot5A1 LYS 437 HE2 0.08 -0.04 -0.12 -0.04 2.99 2.86 1ot5A1 LYS 437 HE3 0.24 -0.00 -0.47 -0.04 2.99 2.72 1ot5A1 TYR 438 H 0.29 0.68 0.32 -0.55 8.29 9.03 1ot5A1 TYR 438 HA -0.08 0.29 0.92 -0.75 4.56 4.93 1ot5A1 TYR 438 HB2 -0.37 0.03 -0.05 -0.04 3.06 2.63 1ot5A1 TYR 438 HB3 -0.12 -0.00 0.04 -0.04 2.98 2.85 1ot5A1 TYR 438 HD2 -1.16 0.02 -0.23 -0.04 7.15 5.74 1ot5A1 TYR 438 HE2 -0.70 0.00 -0.08 -0.04 6.85 6.03 1ot5A1 SER 439 H -1.31 0.78 0.20 -0.55 8.46 7.58 1ot5A1 SER 439 HA -0.70 0.31 0.97 -0.75 4.49 4.33 1ot5A1 SER 439 HB2 -2.57 0.06 -0.19 -0.04 3.95 1.21 1ot5A1 SER 439 HB3 -1.55 0.11 -0.01 -0.04 3.93 2.43 1ot5A1 HIS 440 H -0.23 0.35 0.17 -0.55 8.41 8.16 1ot5A1 HIS 440 HA -0.32 0.22 0.53 -0.75 4.63 4.31 1ot5A1 HIS 440 HB2 -0.22 0.08 0.05 -0.04 3.26 3.14 1ot5A1 HIS 440 HB3 -0.12 -0.13 0.00 -0.04 3.20 2.91 1ot5A1 HIS 440 HD2 -0.00 0.01 0.01 -0.04 6.97 6.94 1ot5A1 HIS 440 HE1 0.06 0.29 0.13 -0.04 7.75 8.19 1ot5A1 ARG 441 H -0.51 0.07 -0.26 -0.55 8.46 7.21 1ot5A1 ARG 441 HA -0.38 0.14 0.69 -0.75 4.34 4.03 1ot5A1 ARG 441 HB2 -0.52 0.06 0.01 -0.04 1.90 1.41 1ot5A1 ARG 441 HB3 -0.76 -0.06 0.08 -0.04 1.80 1.03 1ot5A1 ARG 441 HG2 -1.48 -0.05 -0.19 -0.04 1.67 -0.08 1ot5A1 ARG 441 HG3 -1.02 0.03 -0.21 -0.04 1.67 0.43 1ot5A1 ARG 441 HD2 -1.49 0.05 -0.07 -0.04 3.22 1.67 1ot5A1 ARG 441 HD3 -0.62 -0.01 -0.05 -0.04 3.22 2.50 1ot5A1 TYR 442 H -0.55 0.04 -0.10 -0.55 8.29 7.13 1ot5A1 TYR 442 HA -0.12 0.21 0.64 -0.75 4.56 4.53 1ot5A1 TYR 442 HB2 -0.36 0.06 -0.14 -0.04 3.06 2.58 1ot5A1 TYR 442 HB3 0.09 -0.02 -0.08 -0.04 2.98 2.93 1ot5A1 TYR 442 HD2 -0.25 0.02 -0.14 -0.04 7.15 6.74 1ot5A1 TYR 442 HE2 0.02 -0.02 -0.19 -0.04 6.85 6.62 1ot5A1 GLY 443 H -0.48 0.22 -0.32 -0.55 8.43 7.31 1ot5A1 GLY 443 HA2 -0.39 0.22 0.20 -0.51 4.01 3.53 1ot5A1 GLY 443 HA3 -0.02 0.01 -0.04 -0.51 4.01 3.45 1ot5A1 PHE 444 H 0.29 0.67 0.23 -0.55 8.34 8.97 1ot5A1 PHE 444 HA 0.32 0.09 0.75 -0.75 4.62 5.02 1ot5A1 PHE 444 HB2 0.06 0.12 0.18 -0.04 3.15 3.47 1ot5A1 PHE 444 HB3 0.10 0.11 0.15 -0.04 3.06 3.38 1ot5A1 PHE 444 HD2 0.10 0.13 0.02 -0.04 7.28 7.48 1ot5A1 PHE 444 HE2 -0.06 -0.06 -0.04 -0.04 7.38 7.17 1ot5A1 PHE 444 HZ -0.14 0.06 0.02 -0.04 7.32 7.22 1ot5A1 GLY 445 H 0.23 0.34 -0.15 -0.55 8.43 8.31 1ot5A1 GLY 445 HA2 0.33 -0.17 0.14 -0.51 4.01 3.80 1ot5A1 GLY 445 HA3 0.18 0.27 0.42 -0.51 4.01 4.37 1ot5A1 LYS 446 H 0.05 0.61 0.21 -0.55 8.42 8.74 1ot5A1 LYS 446 HA 0.02 0.20 0.88 -0.75 4.32 4.66 1ot5A1 LYS 446 HB2 -0.11 0.00 0.03 -0.04 1.87 1.75 1ot5A1 LYS 446 HB3 -0.05 -0.08 -0.03 -0.04 1.79 1.58 1ot5A1 LYS 446 HG2 0.00 0.14 0.07 -0.04 1.46 1.63 1ot5A1 LYS 446 HG3 0.02 -0.04 -0.14 -0.04 1.46 1.27 1ot5A1 LYS 446 HD2 0.08 0.02 -0.07 -0.04 1.69 1.68 1ot5A1 LYS 446 HD3 0.01 -0.07 -0.07 -0.04 1.68 1.52 1ot5A1 LYS 446 HE2 0.03 -0.01 -0.05 -0.04 2.99 2.93 1ot5A1 LYS 446 HE3 0.07 -0.02 -0.02 -0.04 2.99 2.98 1ot5A1 ILE 447 H -0.02 0.37 0.30 -0.55 8.25 8.35 1ot5A1 ILE 447 HA 0.01 0.13 0.50 -0.75 4.18 4.06 1ot5A1 ILE 447 HB -0.03 -0.08 0.13 -0.04 1.89 1.87 1ot5A1 ILE 447 HG12 0.01 0.09 -0.07 -0.04 1.49 1.47 1ot5A1 ILE 447 HG13 0.00 0.07 -0.00 -0.04 1.21 1.24 1ot5A1 ILE 447 HG23 -0.05 -0.01 -0.20 -0.04 0.93 0.62 1ot5A1 ILE 447 HD13 -0.10 -0.02 -0.11 -0.04 0.88 0.61 1ot5A1 ASP 448 H 0.01 0.29 0.06 -0.55 8.40 8.21 1ot5A1 ASP 448 HA 0.04 0.22 0.83 -0.75 4.63 4.97 1ot5A1 ASP 448 HB2 0.03 0.08 0.03 -0.04 2.71 2.82 1ot5A1 ASP 448 HB3 0.03 0.09 0.22 -0.04 2.70 3.00 1ot5A1 ALA 449 H -0.00 0.51 0.14 -0.55 8.40 8.50 1ot5A1 ALA 449 HA -0.03 0.01 0.34 -0.75 4.34 3.91 1ot5A1 ALA 449 HB3 -0.07 0.03 0.07 -0.04 1.41 1.39 1ot5A1 HIS 450 H 0.06 0.52 0.13 -0.55 8.41 8.57 1ot5A1 HIS 450 HA -0.04 0.03 0.39 -0.75 4.63 4.26 1ot5A1 HIS 450 HB2 -0.07 -0.03 0.14 -0.04 3.26 3.27 1ot5A1 HIS 450 HB3 -0.03 -0.00 0.11 -0.04 3.20 3.24 1ot5A1 HIS 450 HD2 -0.01 -0.09 -0.18 -0.04 6.97 6.64 1ot5A1 HIS 450 HE1 0.01 0.03 -0.06 -0.04 7.75 7.69 1ot5A1 LYS 451 H 0.10 0.15 -0.19 -0.55 8.42 7.92 1ot5A1 LYS 451 HA 0.07 0.01 0.46 -0.75 4.32 4.12 1ot5A1 LYS 451 HB2 0.07 -0.11 0.14 -0.04 1.87 1.93 1ot5A1 LYS 451 HB3 0.03 0.17 0.09 -0.04 1.79 2.04 1ot5A1 LYS 451 HG2 0.02 0.09 0.03 -0.04 1.46 1.56 1ot5A1 LYS 451 HG3 0.06 -0.08 0.09 -0.04 1.46 1.49 1ot5A1 LYS 451 HD2 0.02 0.16 0.04 -0.04 1.69 1.87 1ot5A1 LYS 451 HD3 0.02 -0.01 0.03 -0.04 1.68 1.69 1ot5A1 LYS 451 HE2 0.06 -0.05 0.03 -0.04 2.99 2.98 1ot5A1 LYS 451 HE3 0.05 -0.05 0.05 -0.04 2.99 3.00 1ot5A1 LEU 452 H -0.01 0.53 -0.16 -0.55 8.37 8.18 1ot5A1 LEU 452 HA -0.05 0.07 0.37 -0.75 4.35 4.00 1ot5A1 LEU 452 HB2 -0.01 -0.06 -0.04 -0.04 1.64 1.50 1ot5A1 LEU 452 HB3 -0.01 0.15 0.14 -0.04 1.64 1.87 1ot5A1 LEU 452 HG 0.00 0.01 -0.35 -0.04 1.64 1.26 1ot5A1 LEU 452 HD13 -0.04 0.01 -0.21 -0.04 0.93 0.65 1ot5A1 LEU 452 HD23 0.12 -0.03 -0.16 -0.04 0.89 0.78 1ot5A1 ILE 453 H -0.07 0.54 0.00 -0.55 8.25 8.17 1ot5A1 ILE 453 HA -0.04 0.05 0.40 -0.75 4.18 3.84 1ot5A1 ILE 453 HB -0.13 0.02 0.10 -0.04 1.89 1.85 1ot5A1 ILE 453 HG12 -0.03 -0.04 -0.13 -0.04 1.49 1.26 1ot5A1 ILE 453 HG13 -0.01 0.03 -0.11 -0.04 1.21 1.08 1ot5A1 ILE 453 HG23 -0.06 0.00 -0.15 -0.04 0.93 0.67 1ot5A1 ILE 453 HD13 -0.01 -0.00 -0.10 -0.04 0.88 0.72 1ot5A1 GLU 454 H -0.16 0.53 -0.20 -0.55 8.60 8.22 1ot5A1 GLU 454 HA -0.09 0.01 0.39 -0.75 4.29 3.84 1ot5A1 GLU 454 HB2 -0.10 0.12 0.23 -0.04 2.09 2.30 1ot5A1 GLU 454 HB3 -0.02 -0.01 -0.02 -0.04 1.99 1.90 1ot5A1 GLU 454 HG2 -0.47 0.00 0.04 -0.04 2.34 1.87 1ot5A1 GLU 454 HG3 0.03 -0.07 -0.01 -0.04 2.34 2.25 1ot5A1 MET 455 H -0.03 0.50 -0.12 -0.55 8.47 8.28 1ot5A1 MET 455 HA 0.05 0.04 0.42 -0.75 4.52 4.28 1ot5A1 MET 455 HB2 0.07 -0.05 0.08 -0.04 2.15 2.21 1ot5A1 MET 455 HB3 0.01 0.04 0.09 -0.04 2.03 2.14 1ot5A1 MET 455 HG2 -0.08 0.13 0.01 -0.04 2.63 2.64 1ot5A1 MET 455 HG3 -0.10 -0.04 -0.32 -0.04 2.56 2.06 1ot5A1 MET 455 HE3 -0.01 0.06 -0.18 -0.04 2.10 1.93 1ot5A1 SER 456 H -0.01 0.33 -0.64 -0.55 8.46 7.59 1ot5A1 SER 456 HA 0.06 0.02 0.53 -0.75 4.49 4.35 1ot5A1 SER 456 HB2 0.00 -0.05 0.04 -0.04 3.95 3.91 1ot5A1 SER 456 HB3 -0.05 0.05 0.07 -0.04 3.93 3.95 1ot5A1 LYS 457 H 0.03 0.40 -0.16 -0.55 8.42 8.14 1ot5A1 LYS 457 HA 0.05 0.07 0.37 -0.75 4.32 4.05 1ot5A1 LYS 457 HB2 0.03 0.19 0.16 -0.04 1.87 2.21 1ot5A1 LYS 457 HB3 0.03 -0.09 0.06 -0.04 1.79 1.75 1ot5A1 LYS 457 HG2 0.01 -0.01 0.08 -0.04 1.46 1.50 1ot5A1 LYS 457 HG3 -0.00 0.21 0.13 -0.04 1.46 1.76 1ot5A1 LYS 457 HD2 -0.01 -0.00 0.08 -0.04 1.69 1.71 1ot5A1 LYS 457 HD3 0.01 -0.06 0.04 -0.04 1.68 1.63 1ot5A1 LYS 457 HE2 0.00 0.02 0.01 -0.04 2.99 2.98 1ot5A1 LYS 457 HE3 -0.05 -0.01 -0.09 -0.04 2.99 2.81 1ot5A1 THR 458 H 0.11 0.20 -0.53 -0.55 8.28 7.51 1ot5A1 THR 458 HA 0.05 0.21 0.89 -0.75 4.39 4.78 1ot5A1 THR 458 HB 0.03 -0.06 0.14 -0.04 4.32 4.40 1ot5A1 THR 458 HG23 0.04 -0.00 -0.16 -0.04 1.22 1.06 1ot5A1 TRP 459 H 0.25 0.47 -0.27 -0.55 7.97 7.88 1ot5A1 TRP 459 HA -0.02 0.03 0.65 -0.75 4.62 4.52 1ot5A1 TRP 459 HB2 -0.01 0.23 0.16 -0.04 3.23 3.57 1ot5A1 TRP 459 HB3 -0.02 0.09 0.17 -0.04 3.23 3.43 1ot5A1 TRP 459 HD1 -0.04 -0.03 -0.26 -0.04 7.22 6.84 1ot5A1 TRP 459 HE1 -0.11 -0.19 -0.10 -0.04 10.20 9.76 1ot5A1 TRP 459 HE3 -0.01 0.07 -0.02 -0.04 7.59 7.59 1ot5A1 TRP 459 HZ2 -0.41 -0.10 -0.02 -0.04 7.44 6.87 1ot5A1 TRP 459 HZ3 0.01 -0.00 -0.04 -0.04 7.13 7.06 1ot5A1 TRP 459 HH2 0.05 -0.03 -0.04 -0.04 7.19 7.13 1ot5A1 GLU 460 H -0.88 0.16 0.15 -0.55 8.60 7.49 1ot5A1 GLU 460 HA -0.27 0.11 0.80 -0.75 4.29 4.17 1ot5A1 GLU 460 HB2 -0.50 -0.04 0.17 -0.04 2.09 1.68 1ot5A1 GLU 460 HB3 -0.33 0.06 0.01 -0.04 1.99 1.68 1ot5A1 GLU 460 HG2 -0.16 0.01 -0.02 -0.04 2.34 2.12 1ot5A1 GLU 460 HG3 -0.18 0.08 -0.12 -0.04 2.34 2.08 1ot5A1 ASN 461 H -0.16 0.16 0.11 -0.55 8.53 8.09 1ot5A1 ASN 461 HA 0.05 -0.07 0.36 -0.75 4.76 4.33 1ot5A1 ASN 461 HB2 -0.05 -0.04 0.12 -0.04 2.88 2.87 1ot5A1 ASN 461 HB3 -0.02 0.12 0.01 -0.04 2.79 2.85 1ot5A1 ASN 461 HD21 0.07 0.52 0.14 -0.04 7.03 7.73 1ot5A1 ASN 461 HD22 0.04 -0.03 0.08 -0.04 7.74 7.79 1ot5A1 VAL 462 H -0.03 -0.03 0.19 -0.55 8.24 7.82 1ot5A1 VAL 462 HA -0.25 0.11 0.55 -0.75 4.13 3.79 1ot5A1 VAL 462 HB -0.43 0.02 0.11 -0.04 2.12 1.77 1ot5A1 VAL 462 HG13 -0.08 0.01 -0.02 -0.04 0.97 0.84 1ot5A1 VAL 462 HG23 -0.18 0.04 0.02 -0.04 0.95 0.78 1ot5A1 ASN 463 H -0.13 0.07 0.13 -0.55 8.53 8.05 1ot5A1 ASN 463 HA -0.07 0.07 0.42 -0.75 4.76 4.42 1ot5A1 ASN 463 HB2 -0.10 0.03 0.05 -0.04 2.88 2.83 1ot5A1 ASN 463 HB3 -0.08 -0.16 0.08 -0.04 2.79 2.59 1ot5A1 ASN 463 HD21 -0.09 -0.02 0.05 -0.04 7.03 6.94 1ot5A1 ASN 463 HD22 -0.10 0.52 0.02 -0.04 7.74 8.14 1ot5A1 ALA 464 H -0.04 0.01 0.14 -0.55 8.40 7.97 1ot5A1 ALA 464 HA 0.02 0.10 0.52 -0.75 4.34 4.22 1ot5A1 ALA 464 HB3 0.00 0.01 0.15 -0.04 1.41 1.53 1ot5A1 GLN 465 H 0.10 0.09 0.21 -0.55 8.47 8.32 1ot5A1 GLN 465 HA 0.05 0.22 0.56 -0.75 4.36 4.43 1ot5A1 GLN 465 HB2 0.18 -0.02 0.14 -0.04 2.15 2.41 1ot5A1 GLN 465 HB3 0.37 -0.04 0.14 -0.04 2.02 2.45 1ot5A1 GLN 465 HG2 0.62 0.09 -0.17 -0.04 2.40 2.91 1ot5A1 GLN 465 HG3 0.38 -0.02 0.15 -0.04 2.39 2.86 1ot5A1 GLN 465 HE21 0.60 -0.04 -0.05 -0.04 6.97 7.45 1ot5A1 GLN 465 HE22 0.44 -0.03 -0.00 -0.04 7.69 8.05 1ot5A1 THR 466 H 0.09 0.49 0.34 -0.55 8.28 8.66 1ot5A1 THR 466 HA -0.62 0.16 0.74 -0.75 4.39 3.91 1ot5A1 THR 466 HB -0.08 -0.05 -0.16 -0.04 4.32 3.99 1ot5A1 THR 466 HG23 -0.46 -0.06 0.13 -0.04 1.22 0.79 1ot5A1 TRP 467 H -0.57 0.36 0.18 -0.55 7.97 7.40 1ot5A1 TRP 467 HA 0.09 0.16 0.65 -0.75 4.62 4.77 1ot5A1 TRP 467 HB2 -0.59 -0.02 -0.01 -0.04 3.23 2.57 1ot5A1 TRP 467 HB3 -0.34 0.06 -0.02 -0.04 3.23 2.90 1ot5A1 TRP 467 HD1 -1.18 -0.07 -0.21 -0.04 7.22 5.72 1ot5A1 TRP 467 HE1 -0.39 -0.01 -0.03 -0.04 10.20 9.72 1ot5A1 TRP 467 HE3 0.25 0.12 -0.40 -0.04 7.59 7.52 1ot5A1 TRP 467 HZ2 -0.01 -0.02 -0.03 -0.04 7.44 7.34 1ot5A1 TRP 467 HZ3 0.20 0.04 -0.14 -0.04 7.13 7.19 1ot5A1 TRP 467 HH2 0.09 0.01 -0.04 -0.04 7.19 7.20 1ot5A1 PHE 468 H -0.04 0.60 0.20 -0.55 8.34 8.54 1ot5A1 PHE 468 HA -0.18 0.18 0.91 -0.75 4.62 4.78 1ot5A1 PHE 468 HB2 -0.51 0.04 -0.14 -0.04 3.15 2.51 1ot5A1 PHE 468 HB3 -0.62 -0.08 0.10 -0.04 3.06 2.42 1ot5A1 PHE 468 HD2 -0.25 0.00 -0.04 -0.04 7.28 6.95 1ot5A1 PHE 468 HE2 -0.12 -0.01 -0.08 -0.04 7.38 7.13 1ot5A1 PHE 468 HZ -0.09 -0.08 -0.06 -0.04 7.32 7.06 1ot5A1 TYR 469 H -0.20 0.18 0.05 -0.55 8.29 7.77 1ot5A1 TYR 469 HA -0.33 0.06 0.74 -0.75 4.56 4.28 1ot5A1 TYR 469 HB2 -0.17 -0.01 0.08 -0.04 3.06 2.92 1ot5A1 TYR 469 HB3 -0.22 0.07 -0.03 -0.04 2.98 2.77 1ot5A1 TYR 469 HD2 -0.17 -0.03 -0.18 -0.04 7.15 6.74 1ot5A1 TYR 469 HE2 -0.46 0.00 -0.11 -0.04 6.85 6.24 1ot5A1 LEU 470 H -0.30 0.52 0.33 -0.55 8.37 8.38 1ot5A1 LEU 470 HA -0.45 0.17 0.88 -0.75 4.35 4.20 1ot5A1 LEU 470 HB2 -0.35 0.08 0.19 -0.04 1.64 1.52 1ot5A1 LEU 470 HB3 -0.34 0.04 0.07 -0.04 1.64 1.37 1ot5A1 LEU 470 HG -0.42 0.02 -0.09 -0.04 1.64 1.11 1ot5A1 LEU 470 HD13 -0.30 -0.03 -0.19 -0.04 0.93 0.37 1ot5A1 LEU 470 HD23 -0.14 -0.02 -0.07 -0.04 0.89 0.61 1ot5A1 PRO 471 HA -0.17 0.00 0.47 -0.51 4.44 4.23 1ot5A1 PRO 471 HB2 -0.12 0.10 0.02 -0.04 2.28 2.23 1ot5A1 PRO 471 HB3 -0.11 0.00 0.12 -0.04 2.02 1.99 1ot5A1 PRO 471 HG2 -0.21 0.02 0.05 -0.04 2.03 1.85 1ot5A1 PRO 471 HG3 -0.12 0.02 0.08 -0.04 2.03 1.97 1ot5A1 PRO 471 HD2 -0.23 0.07 0.22 -0.04 3.68 3.69 1ot5A1 PRO 471 HD3 -0.19 0.14 0.20 -0.04 3.65 3.76 1ot5A1 THR 472 H -0.19 0.06 0.17 -0.55 8.28 7.78 1ot5A1 THR 472 HA -0.37 0.09 0.50 -0.75 4.39 3.86 1ot5A1 THR 472 HB -0.25 -0.03 0.10 -0.04 4.32 4.10 1ot5A1 THR 472 HG23 -0.67 -0.02 -0.25 -0.04 1.22 0.24 1ot5A1 LEU 473 H -0.47 0.62 0.38 -0.55 8.37 8.35 1ot5A1 LEU 473 HA -0.21 0.15 0.90 -0.75 4.35 4.44 1ot5A1 LEU 473 HB2 -0.56 0.11 0.07 -0.04 1.64 1.22 1ot5A1 LEU 473 HB3 -0.30 -0.08 0.20 -0.04 1.64 1.42 1ot5A1 LEU 473 HG -0.00 -0.03 -0.18 -0.04 1.64 1.38 1ot5A1 LEU 473 HD13 -0.08 -0.00 0.03 -0.04 0.93 0.84 1ot5A1 LEU 473 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 1ot5A1 TYR 474 H 0.05 0.22 0.09 -0.55 8.29 8.10 1ot5A1 TYR 474 HA -0.04 0.14 0.84 -0.75 4.56 4.75 1ot5A1 TYR 474 HB2 -0.03 0.01 0.21 -0.04 3.06 3.21 1ot5A1 TYR 474 HB3 -0.02 0.03 0.10 -0.04 2.98 3.05 1ot5A1 TYR 474 HD2 -0.03 0.03 -0.02 -0.04 7.15 7.09 1ot5A1 TYR 474 HE2 -0.03 0.00 -0.06 -0.04 6.85 6.72 1ot5A1 VAL 475 H -0.15 0.25 0.16 -0.55 8.24 7.96 1ot5A1 VAL 475 HA -0.03 0.03 0.35 -0.75 4.13 3.72 1ot5A1 VAL 475 HB -0.79 0.02 -0.12 -0.04 2.12 1.19 1ot5A1 VAL 475 HG13 -0.17 -0.02 -0.21 -0.04 0.97 0.53 1ot5A1 VAL 475 HG23 -0.13 0.00 -0.11 -0.04 0.95 0.67 1ot5A1 SER 476 H -0.03 0.50 0.17 -0.55 8.46 8.55 1ot5A1 SER 476 HA 0.12 -0.02 0.42 -0.75 4.49 4.25 1ot5A1 SER 476 HB2 0.10 -0.03 -0.06 -0.04 3.95 3.93 1ot5A1 SER 476 HB3 0.06 0.09 0.01 -0.04 3.93 4.05 1ot5A1 GLN 477 H 0.01 0.51 0.08 -0.55 8.47 8.52 1ot5A1 GLN 477 HA 0.05 0.20 0.96 -0.75 4.36 4.81 1ot5A1 GLN 477 HB2 0.10 -0.08 -0.01 -0.04 2.15 2.12 1ot5A1 GLN 477 HB3 0.07 -0.06 0.10 -0.04 2.02 2.09 1ot5A1 GLN 477 HG2 0.04 0.03 0.01 -0.04 2.40 2.44 1ot5A1 GLN 477 HG3 0.01 0.28 -0.29 -0.04 2.39 2.35 1ot5A1 GLN 477 HE21 0.06 0.02 0.07 -0.04 6.97 7.08 1ot5A1 GLN 477 HE22 0.04 0.09 0.03 -0.04 7.69 7.81 1ot5A1 SER 478 H 0.05 0.28 0.24 -0.55 8.46 8.49 1ot5A1 SER 478 HA 0.05 0.23 0.96 -0.75 4.49 4.98 1ot5A1 SER 478 HB2 0.05 0.02 -0.10 -0.04 3.95 3.88 1ot5A1 SER 478 HB3 0.05 -0.02 -0.02 -0.04 3.93 3.90 1ot5A1 THR 479 H 0.04 0.56 0.38 -0.55 8.28 8.71 1ot5A1 THR 479 HA 0.03 0.09 0.60 -0.75 4.39 4.36 1ot5A1 THR 479 HB 0.03 0.12 -0.13 -0.04 4.32 4.30 1ot5A1 THR 479 HG23 0.03 0.03 -0.12 -0.04 1.22 1.11 1ot5A1 ASN 480 H 0.02 0.12 0.19 -0.55 8.53 8.31 1ot5A1 ASN 480 HA 0.04 0.34 0.49 -0.75 4.76 4.87 1ot5A1 ASN 480 HB2 0.04 0.00 -0.09 -0.04 2.88 2.79 1ot5A1 ASN 480 HB3 0.03 0.03 -0.19 -0.04 2.79 2.62 1ot5A1 ASN 480 HD21 0.02 0.04 -0.02 -0.04 7.03 7.02 1ot5A1 ASN 480 HD22 0.03 0.06 0.02 -0.04 7.74 7.80 1ot5A1 SER 481 H 0.01 0.09 0.14 -0.55 8.46 8.16 1ot5A1 SER 481 HA -0.01 0.16 0.96 -0.75 4.49 4.85 1ot5A1 SER 481 HB2 0.00 0.10 0.05 -0.04 3.95 4.06 1ot5A1 SER 481 HB3 0.01 0.00 0.17 -0.04 3.93 4.07 1ot5A1 THR 482 H -0.02 0.14 0.09 -0.55 8.28 7.93 1ot5A1 THR 482 HA -0.02 0.32 0.41 -0.75 4.39 4.34 1ot5A1 THR 482 HB -0.03 0.11 0.07 -0.04 4.32 4.43 1ot5A1 THR 482 HG23 -0.05 0.00 -0.33 -0.04 1.22 0.79 1ot5A1 GLU 483 H -0.01 -0.12 -0.39 -0.55 8.60 7.54 1ot5A1 GLU 483 HA -0.01 0.22 0.67 -0.75 4.29 4.41 1ot5A1 GLU 483 HB2 -0.01 -0.09 0.02 -0.04 2.09 1.98 1ot5A1 GLU 483 HB3 -0.01 0.04 0.03 -0.04 1.99 2.02 1ot5A1 GLU 483 HG2 -0.01 0.08 -0.02 -0.04 2.34 2.35 1ot5A1 GLU 483 HG3 -0.01 -0.10 -0.08 -0.04 2.34 2.11 1ot5A1 GLU 484 H -0.00 0.12 -0.22 -0.55 8.60 7.95 1ot5A1 GLU 484 HA 0.00 0.14 0.67 -0.75 4.29 4.35 1ot5A1 GLU 484 HB2 0.01 -0.03 0.14 -0.04 2.09 2.17 1ot5A1 GLU 484 HB3 0.01 0.03 0.02 -0.04 1.99 2.01 1ot5A1 GLU 484 HG2 0.01 0.08 0.03 -0.04 2.34 2.42 1ot5A1 GLU 484 HG3 0.01 -0.08 -0.07 -0.04 2.34 2.16 1ot5A1 THR 485 H 0.01 0.19 0.06 -0.55 8.28 7.99 1ot5A1 THR 485 HA -0.01 0.20 0.78 -0.75 4.39 4.60 1ot5A1 THR 485 HB -0.01 -0.04 0.05 -0.04 4.32 4.28 1ot5A1 THR 485 HG23 -0.03 -0.01 -0.31 -0.04 1.22 0.83 1ot5A1 LEU 486 H 0.01 0.44 0.18 -0.55 8.37 8.45 1ot5A1 LEU 486 HA 0.08 0.06 0.59 -0.75 4.35 4.32 1ot5A1 LEU 486 HB2 0.13 -0.03 0.17 -0.04 1.64 1.87 1ot5A1 LEU 486 HB3 0.26 0.02 -0.00 -0.04 1.64 1.87 1ot5A1 LEU 486 HG 0.04 0.05 -0.02 -0.04 1.64 1.68 1ot5A1 LEU 486 HD13 0.13 -0.02 -0.23 -0.04 0.93 0.76 1ot5A1 LEU 486 HD23 0.06 -0.00 -0.21 -0.04 0.89 0.71 1ot5A1 GLU 487 H 0.06 0.24 0.31 -0.55 8.60 8.67 1ot5A1 GLU 487 HA 0.00 0.31 1.15 -0.75 4.29 5.00 1ot5A1 GLU 487 HB2 -0.02 0.05 0.06 -0.04 2.09 2.14 1ot5A1 GLU 487 HB3 -0.01 -0.04 -0.11 -0.04 1.99 1.78 1ot5A1 GLU 487 HG2 0.03 0.02 0.11 -0.04 2.34 2.46 1ot5A1 GLU 487 HG3 0.04 -0.04 -0.20 -0.04 2.34 2.10 1ot5A1 SER 488 H -0.06 0.54 0.34 -0.55 8.46 8.74 1ot5A1 SER 488 HA 0.16 0.12 0.79 -0.75 4.49 4.80 1ot5A1 SER 488 HB2 0.21 0.04 -0.17 -0.04 3.95 3.98 1ot5A1 SER 488 HB3 0.11 -0.05 0.01 -0.04 3.93 3.96 1ot5A1 VAL 489 H 0.22 0.20 0.19 -0.55 8.24 8.31 1ot5A1 VAL 489 HA 0.31 0.33 1.17 -0.75 4.13 5.19 1ot5A1 VAL 489 HB 0.13 -0.03 0.02 -0.04 2.12 2.20 1ot5A1 VAL 489 HG13 0.14 0.00 -0.21 -0.04 0.97 0.86 1ot5A1 VAL 489 HG23 0.08 -0.00 -0.19 -0.04 0.95 0.80 1ot5A1 ILE 490 H 0.37 0.70 0.31 -0.55 8.25 9.07 1ot5A1 ILE 490 HA 0.11 0.09 0.85 -0.75 4.18 4.48 1ot5A1 ILE 490 HB -0.06 0.00 -0.16 -0.04 1.89 1.63 1ot5A1 ILE 490 HG12 -0.03 0.05 -0.12 -0.04 1.49 1.35 1ot5A1 ILE 490 HG13 -0.07 -0.01 0.11 -0.04 1.21 1.20 1ot5A1 ILE 490 HG23 0.25 0.03 0.05 -0.04 0.93 1.21 1ot5A1 ILE 490 HD13 -0.38 -0.01 -0.00 -0.04 0.88 0.44 1ot5A1 THR 491 H 0.10 0.15 0.14 -0.55 8.28 8.11 1ot5A1 THR 491 HA 0.18 0.20 0.81 -0.75 4.39 4.83 1ot5A1 THR 491 HB 0.07 -0.01 0.05 -0.04 4.32 4.39 1ot5A1 THR 491 HG23 0.07 -0.02 -0.21 -0.04 1.22 1.03 1ot5A1 ILE 492 H 0.19 0.56 0.29 -0.55 8.25 8.75 1ot5A1 ILE 492 HA 0.11 0.13 0.98 -0.75 4.18 4.64 1ot5A1 ILE 492 HB 0.25 0.18 0.24 -0.04 1.89 2.51 1ot5A1 ILE 492 HG12 0.18 0.01 -0.11 -0.04 1.49 1.52 1ot5A1 ILE 492 HG13 0.20 -0.01 -0.32 -0.04 1.21 1.04 1ot5A1 ILE 492 HG23 -0.05 -0.00 -0.15 -0.04 0.93 0.68 1ot5A1 ILE 492 HD13 -0.11 0.01 -0.07 -0.04 0.88 0.66 1ot5A1 SER 493 H 0.03 0.15 0.15 -0.55 8.46 8.24 1ot5A1 SER 493 HA 0.02 0.16 0.70 -0.75 4.49 4.62 1ot5A1 SER 493 HB2 0.01 -0.00 0.14 -0.04 3.95 4.05 1ot5A1 SER 493 HB3 0.02 0.12 0.08 -0.04 3.93 4.11 1ot5A1 GLU 494 H 0.00 0.17 0.20 -0.55 8.60 8.43 1ot5A1 GLU 494 HA -0.02 0.22 0.48 -0.75 4.29 4.21 1ot5A1 GLU 494 HB2 0.01 0.06 0.14 -0.04 2.09 2.26 1ot5A1 GLU 494 HB3 -0.00 -0.06 0.18 -0.04 1.99 2.06 1ot5A1 GLU 494 HG2 -0.01 -0.02 -0.21 -0.04 2.34 2.06 1ot5A1 GLU 494 HG3 -0.01 0.08 0.06 -0.04 2.34 2.43 1ot5A1 LYS 495 H -0.02 0.06 -0.00 -0.55 8.42 7.91 1ot5A1 LYS 495 HA -0.03 0.12 0.37 -0.75 4.32 4.02 1ot5A1 LYS 495 HB2 -0.01 -0.07 0.08 -0.04 1.87 1.83 1ot5A1 LYS 495 HB3 -0.02 0.09 -0.02 -0.04 1.79 1.80 1ot5A1 LYS 495 HG2 -0.01 -0.06 0.09 -0.04 1.46 1.43 1ot5A1 LYS 495 HG3 -0.01 0.05 0.04 -0.04 1.46 1.50 1ot5A1 LYS 495 HD2 -0.01 0.04 0.03 -0.04 1.69 1.70 1ot5A1 LYS 495 HD3 -0.02 -0.01 0.02 -0.04 1.68 1.63 1ot5A1 LYS 495 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.93 1ot5A1 LYS 495 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 1ot5A1 SER 496 H -0.05 0.00 -0.39 -0.55 8.46 7.47 1ot5A1 SER 496 HA -0.04 0.08 0.36 -0.75 4.49 4.14 1ot5A1 SER 496 HB2 -0.01 -0.12 0.10 -0.04 3.95 3.88 1ot5A1 SER 496 HB3 -0.17 0.15 0.05 -0.04 3.93 3.92 1ot5A1 LEU 497 H -0.22 0.31 -0.27 -0.55 8.37 7.64 1ot5A1 LEU 497 HA -0.57 0.05 0.44 -0.75 4.35 3.52 1ot5A1 LEU 497 HB2 -0.12 0.08 0.18 -0.04 1.64 1.74 1ot5A1 LEU 497 HB3 -0.04 0.19 -0.02 -0.04 1.64 1.73 1ot5A1 LEU 497 HG -0.43 -0.02 -0.04 -0.04 1.64 1.10 1ot5A1 LEU 497 HD13 -0.01 -0.02 -0.12 -0.04 0.93 0.75 1ot5A1 LEU 497 HD23 -0.93 -0.02 -0.13 -0.04 0.89 -0.22 1ot5A1 GLN 498 H -0.08 0.55 -0.01 -0.55 8.47 8.38 1ot5A1 GLN 498 HA -0.04 0.07 0.42 -0.75 4.36 4.06 1ot5A1 GLN 498 HB2 -0.04 0.01 0.15 -0.04 2.15 2.23 1ot5A1 GLN 498 HB3 -0.03 -0.02 -0.04 -0.04 2.02 1.89 1ot5A1 GLN 498 HG2 -0.03 -0.01 0.02 -0.04 2.40 2.35 1ot5A1 GLN 498 HG3 -0.02 0.07 0.02 -0.04 2.39 2.42 1ot5A1 GLN 498 HE21 -0.01 -0.06 -0.05 -0.04 6.97 6.81 1ot5A1 GLN 498 HE22 -0.02 0.03 -0.02 -0.04 7.69 7.64 1ot5A1 ASP 499 H -0.06 0.46 -0.28 -0.55 8.40 7.98 1ot5A1 ASP 499 HA -0.03 0.04 0.48 -0.75 4.63 4.36 1ot5A1 ASP 499 HB2 -0.03 0.11 0.13 -0.04 2.71 2.88 1ot5A1 ASP 499 HB3 -0.01 -0.04 0.05 -0.04 2.70 2.66 1ot5A1 ALA 500 H -0.08 0.26 -0.52 -0.55 8.40 7.52 1ot5A1 ALA 500 HA -0.02 0.13 0.77 -0.75 4.34 4.46 1ot5A1 ALA 500 HB3 0.02 0.01 0.12 -0.04 1.41 1.52 1ot5A1 ASN 501 H -0.04 0.31 -0.47 -0.55 8.53 7.78 1ot5A1 ASN 501 HA -0.05 0.04 0.31 -0.75 4.76 4.30 1ot5A1 ASN 501 HB2 -0.07 -0.00 -0.11 -0.04 2.88 2.66 1ot5A1 ASN 501 HB3 -0.11 0.23 0.09 -0.04 2.79 2.96 1ot5A1 ASN 501 HD21 -0.10 0.45 0.22 -0.04 7.03 7.56 1ot5A1 ASN 501 HD22 -0.13 0.07 0.12 -0.04 7.74 7.76 1ot5A1 PHE 502 H 0.05 0.58 -0.18 -0.55 8.34 8.23 1ot5A1 PHE 502 HA -0.10 0.12 0.64 -0.75 4.62 4.53 1ot5A1 PHE 502 HB2 -0.14 0.03 -0.21 -0.04 3.15 2.79 1ot5A1 PHE 502 HB3 -0.19 -0.04 -0.01 -0.04 3.06 2.78 1ot5A1 PHE 502 HD2 -0.07 0.04 -0.49 -0.04 7.28 6.71 1ot5A1 PHE 502 HE2 0.02 -0.06 -0.60 -0.04 7.38 6.70 1ot5A1 PHE 502 HZ -0.00 -0.02 -0.62 -0.04 7.32 6.63 1ot5A1 LYS 503 H -0.39 0.56 0.17 -0.55 8.42 8.21 1ot5A1 LYS 503 HA -0.08 0.03 0.46 -0.75 4.32 3.98 1ot5A1 LYS 503 HB2 -0.14 -0.06 -0.34 -0.04 1.87 1.29 1ot5A1 LYS 503 HB3 -0.21 0.09 -0.03 -0.04 1.79 1.60 1ot5A1 LYS 503 HG2 -0.07 -0.01 -0.25 -0.04 1.46 1.09 1ot5A1 LYS 503 HG3 -0.06 -0.06 -0.05 -0.04 1.46 1.25 1ot5A1 LYS 503 HD2 -0.09 0.08 -0.05 -0.04 1.69 1.59 1ot5A1 LYS 503 HD3 -0.10 -0.03 -0.10 -0.04 1.68 1.42 1ot5A1 LYS 503 HE2 -0.03 -0.01 -0.06 -0.04 2.99 2.84 1ot5A1 LYS 503 HE3 -0.05 -0.03 -0.02 -0.04 2.99 2.85 1ot5A1 ARG 504 H -0.43 0.29 0.15 -0.55 8.46 7.92 1ot5A1 ARG 504 HA 0.05 0.16 0.66 -0.75 4.34 4.46 1ot5A1 ARG 504 HB2 0.03 0.11 -0.07 -0.04 1.90 1.93 1ot5A1 ARG 504 HB3 0.01 0.04 -0.18 -0.04 1.80 1.63 1ot5A1 ARG 504 HG2 -0.07 -0.07 -0.07 -0.04 1.67 1.41 1ot5A1 ARG 504 HG3 -0.06 -0.09 -0.10 -0.04 1.67 1.38 1ot5A1 ARG 504 HD2 0.12 0.06 -0.02 -0.04 3.22 3.34 1ot5A1 ARG 504 HD3 0.05 0.02 -0.05 -0.04 3.22 3.20 1ot5A1 ILE 505 H 0.16 0.79 0.18 -0.55 8.25 8.82 1ot5A1 ILE 505 HA 0.24 0.13 0.48 -0.75 4.18 4.29 1ot5A1 ILE 505 HB 0.20 0.03 0.01 -0.04 1.89 2.09 1ot5A1 ILE 505 HG12 0.34 -0.02 -0.21 -0.04 1.49 1.56 1ot5A1 ILE 505 HG13 0.41 0.06 -0.24 -0.04 1.21 1.40 1ot5A1 ILE 505 HG23 0.14 0.01 -0.29 -0.04 0.93 0.75 1ot5A1 ILE 505 HD13 0.33 -0.04 -0.14 -0.04 0.88 0.99 1ot5A1 GLU 506 H -0.16 0.79 0.35 -0.55 8.60 9.03 1ot5A1 GLU 506 HA -2.29 0.07 0.80 -0.75 4.29 2.11 1ot5A1 GLU 506 HB2 -0.58 -0.05 0.03 -0.04 2.09 1.45 1ot5A1 GLU 506 HB3 -2.26 0.04 0.05 -0.04 1.99 -0.22 1ot5A1 GLU 506 HG2 -1.16 0.05 -0.02 -0.04 2.34 1.17 1ot5A1 GLU 506 HG3 -0.52 -0.04 -0.38 -0.04 2.34 1.37 1ot5A1 HIS 507 H -0.19 0.13 0.18 -0.55 8.41 7.99 1ot5A1 HIS 507 HA 0.06 0.28 0.90 -0.75 4.63 5.12 1ot5A1 HIS 507 HB2 -0.06 -0.08 0.06 -0.04 3.26 3.14 1ot5A1 HIS 507 HB3 -0.04 0.04 0.04 -0.04 3.20 3.20 1ot5A1 HIS 507 HD2 0.19 0.03 -0.05 -0.04 6.97 7.10 1ot5A1 HIS 507 HE1 0.30 0.03 -0.00 -0.04 7.75 8.04 1ot5A1 VAL 508 H 0.22 0.60 0.39 -0.55 8.24 8.90 1ot5A1 VAL 508 HA 0.15 0.23 1.03 -0.75 4.13 4.79 1ot5A1 VAL 508 HB 0.29 -0.06 0.06 -0.04 2.12 2.36 1ot5A1 VAL 508 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.72 1ot5A1 VAL 508 HG23 0.06 -0.00 -0.19 -0.04 0.95 0.78 1ot5A1 THR 509 H 0.10 0.72 0.37 -0.55 8.28 8.92 1ot5A1 THR 509 HA 0.06 0.30 1.04 -0.75 4.39 5.03 1ot5A1 THR 509 HB 0.29 -0.01 -0.05 -0.04 4.32 4.51 1ot5A1 THR 509 HG23 -0.01 -0.04 -0.15 -0.04 1.22 0.99 1ot5A1 VAL 510 H 0.06 0.63 0.21 -0.55 8.24 8.59 1ot5A1 VAL 510 HA 0.13 0.29 0.95 -0.75 4.13 4.74 1ot5A1 VAL 510 HB 0.20 -0.06 0.01 -0.04 2.12 2.23 1ot5A1 VAL 510 HG13 0.31 -0.02 -0.31 -0.04 0.97 0.91 1ot5A1 VAL 510 HG23 0.19 -0.01 -0.31 -0.04 0.95 0.77 1ot5A1 THR 511 H 0.05 0.57 0.22 -0.55 8.28 8.57 1ot5A1 THR 511 HA -0.04 0.40 0.97 -0.75 4.39 4.96 1ot5A1 THR 511 HB -0.06 -0.05 0.12 -0.04 4.32 4.29 1ot5A1 THR 511 HG23 -0.04 0.01 -0.33 -0.04 1.22 0.82 1ot5A1 VAL 512 H 0.11 0.59 0.30 -0.55 8.24 8.69 1ot5A1 VAL 512 HA 0.29 0.30 1.17 -0.75 4.13 5.13 1ot5A1 VAL 512 HB 0.26 -0.02 0.06 -0.04 2.12 2.37 1ot5A1 VAL 512 HG13 0.22 0.01 -0.23 -0.04 0.97 0.93 1ot5A1 VAL 512 HG23 0.19 0.02 -0.08 -0.04 0.95 1.05 1ot5A1 ASP 513 H 0.34 0.52 0.23 -0.55 8.40 8.94 1ot5A1 ASP 513 HA 0.24 0.15 0.96 -0.75 4.63 5.22 1ot5A1 ASP 513 HB2 0.16 0.05 -0.04 -0.04 2.71 2.84 1ot5A1 ASP 513 HB3 0.25 -0.22 0.31 -0.04 2.70 3.00 1ot5A1 ILE 514 H 0.29 0.60 0.21 -0.55 8.25 8.80 1ot5A1 ILE 514 HA 0.11 0.28 1.18 -0.75 4.18 5.00 1ot5A1 ILE 514 HB 0.38 -0.08 0.07 -0.04 1.89 2.23 1ot5A1 ILE 514 HG12 0.21 0.01 -0.09 -0.04 1.49 1.57 1ot5A1 ILE 514 HG13 0.23 -0.17 -0.34 -0.04 1.21 0.90 1ot5A1 ILE 514 HG23 0.11 0.02 -0.31 -0.04 0.93 0.71 1ot5A1 ILE 514 HD13 -0.21 0.02 -0.12 -0.04 0.88 0.53 1ot5A1 ASP 515 H -0.09 0.57 0.31 -0.55 8.40 8.64 1ot5A1 ASP 515 HA 0.09 0.14 0.67 -0.75 4.63 4.78 1ot5A1 ASP 515 HB2 0.10 -0.00 0.14 -0.04 2.71 2.91 1ot5A1 ASP 515 HB3 0.09 0.04 -0.07 -0.04 2.70 2.72 1ot5A1 THR 516 H 0.01 0.27 -0.02 -0.55 8.28 7.99 1ot5A1 THR 516 HA 0.03 0.28 0.89 -0.75 4.39 4.84 1ot5A1 THR 516 HB 0.02 0.08 -0.29 -0.04 4.32 4.09 1ot5A1 THR 516 HG23 0.12 0.03 -0.40 -0.04 1.22 0.93 1ot5A1 GLU 517 H 0.00 0.54 0.16 -0.55 8.60 8.75 1ot5A1 GLU 517 HA -0.04 0.08 0.56 -0.75 4.29 4.14 1ot5A1 GLU 517 HB2 -0.04 -0.05 0.16 -0.04 2.09 2.11 1ot5A1 GLU 517 HB3 -0.06 0.02 0.09 -0.04 1.99 2.00 1ot5A1 GLU 517 HG2 -0.00 0.00 0.04 -0.04 2.34 2.33 1ot5A1 GLU 517 HG3 0.01 0.15 0.10 -0.04 2.34 2.56 1ot5A1 ILE 518 H -0.07 0.10 -0.17 -0.55 8.25 7.56 1ot5A1 ILE 518 HA -0.13 0.29 0.66 -0.75 4.18 4.25 1ot5A1 ILE 518 HB -0.36 -0.06 0.10 -0.04 1.89 1.53 1ot5A1 ILE 518 HG12 -0.38 -0.14 -0.42 -0.04 1.49 0.51 1ot5A1 ILE 518 HG13 -0.82 0.00 -0.08 -0.04 1.21 0.28 1ot5A1 ILE 518 HG23 -0.13 -0.03 -0.02 -0.04 0.93 0.71 1ot5A1 ILE 518 HD13 -0.17 0.10 0.01 -0.04 0.88 0.78 1ot5A1 ARG 519 H -0.10 0.70 -0.02 -0.55 8.46 8.49 1ot5A1 ARG 519 HA -0.02 0.00 0.23 -0.75 4.34 3.80 1ot5A1 ARG 519 HB2 -0.21 -0.05 -0.00 -0.04 1.90 1.60 1ot5A1 ARG 519 HB3 -0.16 -0.05 0.01 -0.04 1.80 1.55 1ot5A1 ARG 519 HG2 -0.23 0.09 -0.18 -0.04 1.67 1.32 1ot5A1 ARG 519 HG3 -0.59 -0.03 -0.06 -0.04 1.67 0.94 1ot5A1 ARG 519 HD2 -1.38 0.05 -0.22 -0.04 3.22 1.62 1ot5A1 ARG 519 HD3 -0.61 -0.13 -0.12 -0.04 3.22 2.32 1ot5A1 GLY 520 H -0.05 0.34 -0.10 -0.55 8.43 8.07 1ot5A1 GLY 520 HA2 -0.01 -0.01 0.47 -0.51 4.01 3.95 1ot5A1 GLY 520 HA3 -0.02 0.36 0.47 -0.51 4.01 4.31 1ot5A1 THR 521 H 0.06 0.34 -0.47 -0.55 8.28 7.67 1ot5A1 THR 521 HA 0.05 0.16 0.77 -0.75 4.39 4.62 1ot5A1 THR 521 HB 0.09 -0.27 0.17 -0.04 4.32 4.26 1ot5A1 THR 521 HG23 0.16 0.01 -0.12 -0.04 1.22 1.24 1ot5A1 THR 522 H 0.12 0.54 -0.31 -0.55 8.28 8.08 1ot5A1 THR 522 HA 0.06 0.28 1.08 -0.75 4.39 5.06 1ot5A1 THR 522 HB 0.37 0.02 0.04 -0.04 4.32 4.72 1ot5A1 THR 522 HG23 0.10 -0.02 -0.17 -0.04 1.22 1.09 1ot5A1 THR 523 H -0.02 0.53 0.24 -0.55 8.28 8.47 1ot5A1 THR 523 HA -0.04 0.23 0.71 -0.75 4.39 4.53 1ot5A1 THR 523 HB -0.08 0.08 0.01 -0.04 4.32 4.29 1ot5A1 THR 523 HG23 -0.02 -0.03 -0.25 -0.04 1.22 0.87 1ot5A1 VAL 524 H -0.23 0.57 0.30 -0.55 8.24 8.33 1ot5A1 VAL 524 HA -0.29 0.35 1.03 -0.75 4.13 4.46 1ot5A1 VAL 524 HB -0.72 -0.19 0.13 -0.04 2.12 1.31 1ot5A1 VAL 524 HG13 -0.39 0.00 -0.17 -0.04 0.97 0.37 1ot5A1 VAL 524 HG23 -0.39 0.01 -0.27 -0.04 0.95 0.25 1ot5A1 ASP 525 H -0.22 0.67 0.36 -0.55 8.40 8.67 1ot5A1 ASP 525 HA -0.12 0.16 1.22 -0.75 4.63 5.14 1ot5A1 ASP 525 HB2 -0.11 -0.00 0.07 -0.04 2.71 2.62 1ot5A1 ASP 525 HB3 -0.07 0.04 -0.04 -0.04 2.70 2.59 1ot5A1 LEU 526 H 0.01 0.66 0.40 -0.55 8.37 8.89 1ot5A1 LEU 526 HA -0.02 0.26 1.05 -0.75 4.35 4.88 1ot5A1 LEU 526 HB2 0.07 -0.06 -0.02 -0.04 1.64 1.58 1ot5A1 LEU 526 HB3 0.26 -0.06 0.05 -0.04 1.64 1.84 1ot5A1 LEU 526 HG 0.12 -0.03 -0.14 -0.04 1.64 1.55 1ot5A1 LEU 526 HD13 0.22 -0.01 -0.20 -0.04 0.93 0.90 1ot5A1 LEU 526 HD23 0.30 0.05 -0.17 -0.04 0.89 1.02 1ot5A1 ILE 527 H 0.04 0.82 0.32 -0.55 8.25 8.88 1ot5A1 ILE 527 HA 0.05 0.29 1.06 -0.75 4.18 4.83 1ot5A1 ILE 527 HB -0.03 -0.04 0.09 -0.04 1.89 1.87 1ot5A1 ILE 527 HG12 0.00 0.05 -0.20 -0.04 1.49 1.30 1ot5A1 ILE 527 HG13 -0.02 -0.11 -0.46 -0.04 1.21 0.58 1ot5A1 ILE 527 HG23 -0.05 0.06 -0.20 -0.04 0.93 0.70 1ot5A1 ILE 527 HD13 -0.03 -0.00 -0.14 -0.04 0.88 0.67 1ot5A1 SER 528 H -0.08 0.65 0.14 -0.55 8.46 8.62 1ot5A1 SER 528 HA -1.40 0.14 0.53 -0.75 4.49 3.01 1ot5A1 SER 528 HB2 -1.36 0.03 0.10 -0.04 3.95 2.67 1ot5A1 SER 528 HB3 -0.50 0.07 0.04 -0.04 3.93 3.49 1ot5A1 PRO 529 HA -0.24 0.15 0.51 -0.51 4.44 4.36 1ot5A1 PRO 529 HB2 -0.18 0.01 0.01 -0.04 2.28 2.07 1ot5A1 PRO 529 HB3 -0.14 -0.11 0.17 -0.04 2.02 1.89 1ot5A1 PRO 529 HG2 -0.24 0.11 -0.62 -0.04 2.03 1.24 1ot5A1 PRO 529 HG3 -0.50 0.06 -0.59 -0.04 2.03 0.95 1ot5A1 PRO 529 HD2 -0.85 -0.02 0.06 -0.04 3.68 2.83 1ot5A1 PRO 529 HD3 -2.61 0.12 0.02 -0.04 3.65 1.14 1ot5A1 ALA 530 H -0.22 0.05 -0.22 -0.55 8.40 7.46 1ot5A1 ALA 530 HA -0.05 0.18 0.53 -0.75 4.34 4.23 1ot5A1 ALA 530 HB3 -0.02 -0.00 0.04 -0.04 1.41 1.38 1ot5A1 GLY 531 H -0.13 0.42 -0.63 -0.55 8.43 7.54 1ot5A1 GLY 531 HA2 -0.05 0.06 0.19 -0.51 4.01 3.70 1ot5A1 GLY 531 HA3 -0.02 0.15 0.59 -0.51 4.01 4.22 1ot5A1 ILE 532 H -0.02 -0.08 -0.39 -0.55 8.25 7.22 1ot5A1 ILE 532 HA 0.05 0.12 0.42 -0.75 4.18 4.02 1ot5A1 ILE 532 HB 0.16 -0.18 0.02 -0.04 1.89 1.84 1ot5A1 ILE 532 HG12 0.07 0.27 -0.16 -0.04 1.49 1.63 1ot5A1 ILE 532 HG13 0.04 -0.06 -0.20 -0.04 1.21 0.95 1ot5A1 ILE 532 HG23 -0.03 0.06 -0.19 -0.04 0.93 0.73 1ot5A1 ILE 532 HD13 0.11 -0.00 -0.13 -0.04 0.88 0.82 1ot5A1 ILE 533 H 0.06 0.18 0.22 -0.55 8.25 8.16 1ot5A1 ILE 533 HA 0.13 0.34 1.17 -0.75 4.18 5.06 1ot5A1 ILE 533 HB 0.02 0.07 -0.04 -0.04 1.89 1.90 1ot5A1 ILE 533 HG12 0.01 -0.10 -0.45 -0.04 1.49 0.90 1ot5A1 ILE 533 HG13 0.02 0.04 -0.08 -0.04 1.21 1.14 1ot5A1 ILE 533 HG23 0.01 -0.01 0.05 -0.04 0.93 0.94 1ot5A1 ILE 533 HD13 -0.04 -0.01 -0.12 -0.04 0.88 0.67 1ot5A1 SER 534 H 0.15 0.70 0.34 -0.55 8.46 9.10 1ot5A1 SER 534 HA 0.27 0.17 0.92 -0.75 4.49 5.09 1ot5A1 SER 534 HB2 0.31 0.00 0.14 -0.04 3.95 4.37 1ot5A1 SER 534 HB3 0.16 -0.01 -0.07 -0.04 3.93 3.96 1ot5A1 ASN 535 H 0.41 0.21 0.05 -0.55 8.53 8.65 1ot5A1 ASN 535 HA -0.07 0.13 0.73 -0.75 4.76 4.81 1ot5A1 ASN 535 HB2 -0.16 -0.05 0.18 -0.04 2.88 2.81 1ot5A1 ASN 535 HB3 -0.10 0.07 -0.01 -0.04 2.79 2.71 1ot5A1 ASN 535 HD21 -0.14 0.03 -0.10 -0.04 7.03 6.79 1ot5A1 ASN 535 HD22 -0.11 0.03 -0.07 -0.04 7.74 7.56 1ot5A1 LEU 536 H -0.16 0.35 0.22 -0.55 8.37 8.23 1ot5A1 LEU 536 HA -0.11 -0.02 0.46 -0.75 4.35 3.92 1ot5A1 LEU 536 HB2 -0.70 0.03 0.06 -0.04 1.64 0.98 1ot5A1 LEU 536 HB3 -0.93 -0.04 -0.04 -0.04 1.64 0.59 1ot5A1 LEU 536 HG -0.10 0.07 -0.08 -0.04 1.64 1.49 1ot5A1 LEU 536 HD13 -0.07 -0.01 -0.19 -0.04 0.93 0.63 1ot5A1 LEU 536 HD23 0.07 -0.03 -0.25 -0.04 0.89 0.64 1ot5A1 GLY 537 H -0.50 0.45 0.29 -0.55 8.43 8.12 1ot5A1 GLY 537 HA2 -0.08 0.16 0.90 -0.51 4.01 4.48 1ot5A1 GLY 537 HA3 -0.37 0.01 0.31 -0.51 4.01 3.45 1ot5A1 VAL 538 H 0.34 0.20 0.13 -0.55 8.24 8.36 1ot5A1 VAL 538 HA 0.01 0.12 0.91 -0.75 4.13 4.41 1ot5A1 VAL 538 HB -0.00 -0.02 0.07 -0.04 2.12 2.14 1ot5A1 VAL 538 HG13 0.01 -0.01 -0.30 -0.04 0.97 0.63 1ot5A1 VAL 538 HG23 0.10 0.04 -0.16 -0.04 0.95 0.88 1ot5A1 VAL 539 H -0.00 0.04 0.08 -0.55 8.24 7.81 1ot5A1 VAL 539 HA 0.02 0.29 0.48 -0.75 4.13 4.17 1ot5A1 VAL 539 HB -0.02 -0.05 0.12 -0.04 2.12 2.13 1ot5A1 VAL 539 HG13 -0.01 0.01 -0.14 -0.04 0.97 0.79 1ot5A1 VAL 539 HG23 -0.01 -0.02 -0.03 -0.04 0.95 0.86 1ot5A1 ARG 540 H -0.02 0.59 0.31 -0.55 8.46 8.79 1ot5A1 ARG 540 HA -0.07 0.23 0.86 -0.75 4.34 4.61 1ot5A1 ARG 540 HB2 -0.15 -0.13 0.29 -0.04 1.90 1.88 1ot5A1 ARG 540 HB3 -0.16 0.05 0.16 -0.04 1.80 1.81 1ot5A1 ARG 540 HG2 -0.20 0.26 -0.14 -0.04 1.67 1.55 1ot5A1 ARG 540 HG3 -0.28 0.15 -0.11 -0.04 1.67 1.39 1ot5A1 ARG 540 HD2 -0.38 -0.06 -0.00 -0.04 3.22 2.73 1ot5A1 ARG 540 HD3 -1.28 -0.10 0.00 -0.04 3.22 1.80 1ot5A1 PRO 541 HA -0.01 0.05 0.35 -0.51 4.44 4.32 1ot5A1 PRO 541 HB2 -0.02 0.03 -0.00 -0.04 2.28 2.25 1ot5A1 PRO 541 HB3 -0.01 0.00 0.04 -0.04 2.02 2.01 1ot5A1 PRO 541 HG2 -0.02 0.05 0.01 -0.04 2.03 2.03 1ot5A1 PRO 541 HG3 -0.01 0.02 0.01 -0.04 2.03 2.00 1ot5A1 PRO 541 HD2 -0.03 0.13 0.16 -0.04 3.68 3.89 1ot5A1 PRO 541 HD3 -0.03 0.29 -0.05 -0.04 3.65 3.82 1ot5A1 ARG 542 H -0.04 0.20 -0.20 -0.55 8.46 7.87 1ot5A1 ARG 542 HA -0.02 0.10 0.58 -0.75 4.34 4.25 1ot5A1 ARG 542 HB2 -0.03 0.17 0.03 -0.04 1.90 2.03 1ot5A1 ARG 542 HB3 -0.02 -0.10 0.06 -0.04 1.80 1.70 1ot5A1 ARG 542 HG2 -0.01 -0.05 -0.02 -0.04 1.67 1.55 1ot5A1 ARG 542 HG3 -0.02 0.01 0.00 -0.04 1.67 1.62 1ot5A1 ARG 542 HD2 -0.00 -0.08 0.05 -0.04 3.22 3.15 1ot5A1 ARG 542 HD3 -0.01 0.24 0.14 -0.04 3.22 3.55 1ot5A1 ASP 543 H -0.06 0.44 -0.18 -0.55 8.40 8.06 1ot5A1 ASP 543 HA -0.08 0.01 0.74 -0.75 4.63 4.55 1ot5A1 ASP 543 HB2 -0.12 0.25 0.23 -0.04 2.71 3.03 1ot5A1 ASP 543 HB3 -0.08 0.04 0.30 -0.04 2.70 2.92 1ot5A1 VAL 544 H -0.07 0.23 0.21 -0.55 8.24 8.05 1ot5A1 VAL 544 HA -0.08 0.13 0.93 -0.75 4.13 4.36 1ot5A1 VAL 544 HB -0.07 0.00 0.20 -0.04 2.12 2.21 1ot5A1 VAL 544 HG13 -0.04 0.03 -0.20 -0.04 0.97 0.72 1ot5A1 VAL 544 HG23 -0.05 0.01 0.03 -0.04 0.95 0.90 1ot5A1 SER 545 H -0.11 0.05 -0.06 -0.55 8.46 7.80 1ot5A1 SER 545 HA -0.09 0.12 0.56 -0.75 4.49 4.32 1ot5A1 SER 545 HB2 -0.14 0.10 0.16 -0.04 3.95 4.04 1ot5A1 SER 545 HB3 -0.16 -0.00 0.10 -0.04 3.93 3.83 1ot5A1 SER 546 H -0.08 0.12 0.22 -0.55 8.46 8.18 1ot5A1 SER 546 HA -0.07 0.43 0.88 -0.75 4.49 4.97 1ot5A1 SER 546 HB2 -0.04 -0.03 0.28 -0.04 3.95 4.13 1ot5A1 SER 546 HB3 -0.06 0.20 0.15 -0.04 3.93 4.18 1ot5A1 GLU 547 H -0.11 -0.01 -0.01 -0.55 8.60 7.93 1ot5A1 GLU 547 HA -0.04 0.17 0.69 -0.75 4.29 4.35 1ot5A1 GLU 547 HB2 -0.12 0.04 0.08 -0.04 2.09 2.04 1ot5A1 GLU 547 HB3 -0.06 0.03 0.12 -0.04 1.99 2.04 1ot5A1 GLU 547 HG2 -0.05 0.06 0.02 -0.04 2.34 2.32 1ot5A1 GLU 547 HG3 -0.08 -0.16 0.07 -0.04 2.34 2.13 1ot5A1 GLY 548 H -0.17 -0.02 -0.22 -0.55 8.43 7.48 1ot5A1 GLY 548 HA2 -0.29 0.01 0.21 -0.51 4.01 3.43 1ot5A1 GLY 548 HA3 -0.05 0.11 0.39 -0.51 4.01 3.95 1ot5A1 PHE 549 H 0.19 0.55 0.20 -0.55 8.34 8.72 1ot5A1 PHE 549 HA -0.02 0.18 0.84 -0.75 4.62 4.87 1ot5A1 PHE 549 HB2 0.13 -0.11 0.17 -0.04 3.15 3.30 1ot5A1 PHE 549 HB3 0.11 -0.01 0.01 -0.04 3.06 3.13 1ot5A1 PHE 549 HD2 -0.17 -0.00 -0.07 -0.04 7.28 7.00 1ot5A1 PHE 549 HE2 0.04 0.04 -0.11 -0.04 7.38 7.31 1ot5A1 PHE 549 HZ 0.28 0.16 -0.09 -0.04 7.32 7.63 1ot5A1 LYS 550 H 0.10 0.28 -0.05 -0.55 8.42 8.20 1ot5A1 LYS 550 HA 0.16 0.05 0.81 -0.75 4.32 4.59 1ot5A1 LYS 550 HB2 0.07 0.01 0.15 -0.04 1.87 2.06 1ot5A1 LYS 550 HB3 0.08 -0.00 0.05 -0.04 1.79 1.87 1ot5A1 LYS 550 HG2 0.05 0.21 -0.08 -0.04 1.46 1.60 1ot5A1 LYS 550 HG3 0.05 -0.02 0.01 -0.04 1.46 1.45 1ot5A1 LYS 550 HD2 0.09 -0.02 -0.02 -0.04 1.69 1.70 1ot5A1 LYS 550 HD3 0.15 -0.02 -0.11 -0.04 1.68 1.65 1ot5A1 LYS 550 HE2 0.11 0.04 -0.15 -0.04 2.99 2.95 1ot5A1 LYS 550 HE3 0.07 0.01 -0.05 -0.04 2.99 2.98 1ot5A1 ASP 551 H 0.17 0.31 0.35 -0.55 8.40 8.68 1ot5A1 ASP 551 HA 0.09 0.12 0.28 -0.75 4.63 4.37 1ot5A1 ASP 551 HB2 0.06 0.17 -0.03 -0.04 2.71 2.87 1ot5A1 ASP 551 HB3 0.01 -0.04 0.15 -0.04 2.70 2.78 1ot5A1 TRP 552 H 0.27 0.17 -0.20 -0.55 7.97 7.66 1ot5A1 TRP 552 HA -0.11 0.13 0.58 -0.75 4.62 4.46 1ot5A1 TRP 552 HB2 -0.00 -0.04 -0.11 -0.04 3.23 3.04 1ot5A1 TRP 552 HB3 -0.16 -0.05 -0.05 -0.04 3.23 2.93 1ot5A1 TRP 552 HD1 -2.06 -0.08 -0.29 -0.04 7.22 4.75 1ot5A1 TRP 552 HE1 -0.65 0.40 -0.01 -0.04 10.20 9.91 1ot5A1 TRP 552 HE3 -0.07 0.05 -0.09 -0.04 7.59 7.44 1ot5A1 TRP 552 HZ2 -0.09 -0.04 -0.54 -0.04 7.44 6.73 1ot5A1 TRP 552 HZ3 -0.04 -0.12 -0.19 -0.04 7.13 6.73 1ot5A1 TRP 552 HH2 -0.03 -0.12 -0.70 -0.04 7.19 6.30 1ot5A1 THR 553 H -1.49 0.17 0.08 -0.55 8.28 6.49 1ot5A1 THR 553 HA -0.35 0.28 0.98 -0.75 4.39 4.55 1ot5A1 THR 553 HB -0.62 -0.03 0.05 -0.04 4.32 3.68 1ot5A1 THR 553 HG23 -0.22 0.02 -0.23 -0.04 1.22 0.74 1ot5A1 PHE 554 H -0.05 0.62 0.27 -0.55 8.34 8.63 1ot5A1 PHE 554 HA -0.08 0.18 0.72 -0.75 4.62 4.69 1ot5A1 PHE 554 HB2 -0.03 -0.03 0.07 -0.04 3.15 3.12 1ot5A1 PHE 554 HB3 -0.01 -0.00 0.04 -0.04 3.06 3.04 1ot5A1 PHE 554 HD2 -0.01 0.07 -0.01 -0.04 7.28 7.28 1ot5A1 PHE 554 HE2 -0.47 -0.01 -0.13 -0.04 7.38 6.72 1ot5A1 PHE 554 HZ -1.10 -0.01 -0.13 -0.04 7.32 6.04 1ot5A1 MET 555 H 0.14 0.20 0.21 -0.55 8.47 8.47 1ot5A1 MET 555 HA 0.06 0.26 1.02 -0.75 4.52 5.11 1ot5A1 MET 555 HB2 -0.10 0.03 -0.13 -0.04 2.15 1.92 1ot5A1 MET 555 HB3 -0.00 -0.07 0.05 -0.04 2.03 1.97 1ot5A1 MET 555 HG2 -0.01 0.03 0.07 -0.04 2.63 2.68 1ot5A1 MET 555 HG3 -0.14 0.01 -0.15 -0.04 2.56 2.24 1ot5A1 MET 555 HE3 0.08 0.03 -0.27 -0.04 2.10 1.90 1ot5A1 SER 556 H 0.14 0.62 0.35 -0.55 8.46 9.01 1ot5A1 SER 556 HA 0.06 0.32 0.68 -0.75 4.49 4.79 1ot5A1 SER 556 HB2 0.12 0.00 -0.20 -0.04 3.95 3.84 1ot5A1 SER 556 HB3 0.24 -0.00 -0.00 -0.04 3.93 4.13 1ot5A1 VAL 557 H -0.05 0.75 0.38 -0.55 8.24 8.76 1ot5A1 VAL 557 HA 0.30 0.23 0.99 -0.75 4.13 4.89 1ot5A1 VAL 557 HB 0.33 0.01 0.15 -0.04 2.12 2.57 1ot5A1 VAL 557 HG13 0.34 -0.00 -0.07 -0.04 0.97 1.19 1ot5A1 VAL 557 HG23 -0.08 0.05 -0.16 -0.04 0.95 0.72 1ot5A1 ALA 558 H -0.28 0.05 0.06 -0.55 8.40 7.69 1ot5A1 ALA 558 HA -0.81 0.18 0.42 -0.75 4.34 3.38 1ot5A1 ALA 558 HB3 -0.52 0.01 0.05 -0.04 1.41 0.91 1ot5A1 HIS 559 H 0.04 0.08 -0.45 -0.55 8.41 7.55 1ot5A1 HIS 559 HA 0.17 0.14 0.62 -0.75 4.63 4.81 1ot5A1 HIS 559 HB2 0.28 0.07 -0.16 -0.04 3.26 3.41 1ot5A1 HIS 559 HB3 0.41 -0.07 0.02 -0.04 3.20 3.51 1ot5A1 HIS 559 HD2 0.23 0.02 -0.16 -0.04 6.97 7.01 1ot5A1 HIS 559 HE1 0.09 0.25 -0.29 -0.04 7.75 7.76 1ot5A1 TRP 560 H 0.35 0.32 -0.46 -0.55 7.97 7.63 1ot5A1 TRP 560 HA 0.04 0.06 0.24 -0.75 4.62 4.21 1ot5A1 TRP 560 HB2 -0.02 0.22 0.20 -0.04 3.23 3.58 1ot5A1 TRP 560 HB3 -0.03 -0.06 0.07 -0.04 3.23 3.17 1ot5A1 TRP 560 HD1 -0.19 0.01 -0.22 -0.04 7.22 6.78 1ot5A1 TRP 560 HE1 -1.53 -0.02 -0.01 -0.04 10.20 8.60 1ot5A1 TRP 560 HE3 -0.22 0.05 0.03 -0.04 7.59 7.41 1ot5A1 TRP 560 HZ2 -0.88 0.01 -0.05 -0.04 7.44 6.48 1ot5A1 TRP 560 HZ3 -0.75 0.01 -0.08 -0.04 7.13 6.28 1ot5A1 TRP 560 HH2 -0.31 0.01 -0.03 -0.04 7.19 6.81 1ot5A1 GLY 561 H -0.02 0.78 0.28 -0.55 8.43 8.92 1ot5A1 GLY 561 HA2 0.18 -0.00 0.38 -0.51 4.01 4.06 1ot5A1 GLY 561 HA3 0.24 0.19 0.69 -0.51 4.01 4.61 1ot5A1 GLU 562 H 0.21 0.51 -0.13 -0.55 8.60 8.64 1ot5A1 GLU 562 HA 0.14 0.10 0.56 -0.75 4.29 4.34 1ot5A1 GLU 562 HB2 0.31 0.08 0.09 -0.04 2.09 2.53 1ot5A1 GLU 562 HB3 0.19 -0.21 0.11 -0.04 1.99 2.04 1ot5A1 GLU 562 HG2 0.15 0.01 -0.02 -0.04 2.34 2.43 1ot5A1 GLU 562 HG3 0.24 0.21 -0.05 -0.04 2.34 2.70 1ot5A1 ASN 563 H 0.13 0.13 0.20 -0.55 8.53 8.44 1ot5A1 ASN 563 HA 0.16 0.26 0.77 -0.75 4.76 5.19 1ot5A1 ASN 563 HB2 0.09 0.09 0.21 -0.04 2.88 3.23 1ot5A1 ASN 563 HB3 0.08 0.09 0.14 -0.04 2.79 3.05 1ot5A1 ASN 563 HD21 0.05 0.01 0.04 -0.04 7.03 7.09 1ot5A1 ASN 563 HD22 0.05 0.08 0.07 -0.04 7.74 7.90 1ot5A1 GLY 564 H 0.28 0.01 -0.25 -0.55 8.43 7.92 1ot5A1 GLY 564 HA2 0.75 -0.02 0.18 -0.51 4.01 4.41 1ot5A1 GLY 564 HA3 0.31 0.10 0.16 -0.51 4.01 4.08 1ot5A1 VAL 565 H 0.14 0.00 -0.66 -0.55 8.24 7.17 1ot5A1 VAL 565 HA 0.12 0.15 0.44 -0.75 4.13 4.08 1ot5A1 VAL 565 HB 0.05 -0.05 0.06 -0.04 2.12 2.15 1ot5A1 VAL 565 HG13 0.03 -0.03 -0.08 -0.04 0.97 0.85 1ot5A1 VAL 565 HG23 0.04 0.05 -0.06 -0.04 0.95 0.94 1ot5A1 GLY 566 H 0.13 0.58 0.40 -0.55 8.43 9.00 1ot5A1 GLY 566 HA2 0.04 -0.04 0.34 -0.51 4.01 3.85 1ot5A1 GLY 566 HA3 -0.01 0.19 0.96 -0.51 4.01 4.64 1ot5A1 ASP 567 H -0.03 0.15 0.16 -0.55 8.40 8.14 1ot5A1 ASP 567 HA 0.15 0.11 0.70 -0.75 4.63 4.84 1ot5A1 ASP 567 HB2 -0.01 0.03 0.08 -0.04 2.71 2.78 1ot5A1 ASP 567 HB3 0.06 0.03 -0.15 -0.04 2.70 2.60 1ot5A1 TRP 568 H 0.38 0.58 0.31 -0.55 7.97 8.70 1ot5A1 TRP 568 HA 0.05 0.26 0.88 -0.75 4.62 5.06 1ot5A1 TRP 568 HB2 0.16 0.07 0.19 -0.04 3.23 3.61 1ot5A1 TRP 568 HB3 0.14 -0.04 -0.05 -0.04 3.23 3.23 1ot5A1 TRP 568 HD1 0.05 0.14 -0.06 -0.04 7.22 7.30 1ot5A1 TRP 568 HE1 0.01 0.42 -0.06 -0.04 10.20 10.52 1ot5A1 TRP 568 HE3 -0.08 0.02 -0.21 -0.04 7.59 7.28 1ot5A1 TRP 568 HZ2 0.01 -0.10 -0.06 -0.04 7.44 7.25 1ot5A1 TRP 568 HZ3 -0.90 -0.02 -0.17 -0.04 7.13 6.00 1ot5A1 TRP 568 HH2 -0.17 0.00 -0.09 -0.04 7.19 6.89 1ot5A1 LYS 569 H 0.10 0.72 0.28 -0.55 8.42 8.97 1ot5A1 LYS 569 HA 0.12 0.27 1.17 -0.75 4.32 5.12 1ot5A1 LYS 569 HB2 0.05 -0.05 -0.18 -0.04 1.87 1.65 1ot5A1 LYS 569 HB3 0.00 0.03 0.05 -0.04 1.79 1.83 1ot5A1 LYS 569 HG2 -0.04 -0.02 -0.32 -0.04 1.46 1.04 1ot5A1 LYS 569 HG3 -0.00 0.06 -0.10 -0.04 1.46 1.37 1ot5A1 LYS 569 HD2 0.02 -0.03 -0.15 -0.04 1.69 1.48 1ot5A1 LYS 569 HD3 0.01 0.00 -0.13 -0.04 1.68 1.52 1ot5A1 LYS 569 HE2 -0.02 -0.01 -0.15 -0.04 2.99 2.77 1ot5A1 LYS 569 HE3 -0.02 0.00 -0.15 -0.04 2.99 2.79 1ot5A1 ILE 570 H -0.33 0.64 0.39 -0.55 8.25 8.40 1ot5A1 ILE 570 HA -0.27 0.28 1.12 -0.75 4.18 4.55 1ot5A1 ILE 570 HB -1.24 -0.03 -0.04 -0.04 1.89 0.54 1ot5A1 ILE 570 HG12 -0.54 0.00 -0.18 -0.04 1.49 0.74 1ot5A1 ILE 570 HG13 -0.44 0.08 -0.01 -0.04 1.21 0.81 1ot5A1 ILE 570 HG23 -1.15 0.04 -0.00 -0.04 0.93 -0.22 1ot5A1 ILE 570 HD13 -0.69 -0.02 -0.15 -0.04 0.88 -0.02 1ot5A1 LYS 571 H -0.24 0.63 0.33 -0.55 8.42 8.59 1ot5A1 LYS 571 HA -0.14 0.24 0.97 -0.75 4.32 4.63 1ot5A1 LYS 571 HB2 -0.12 -0.06 0.05 -0.04 1.87 1.70 1ot5A1 LYS 571 HB3 -0.09 0.03 -0.12 -0.04 1.79 1.57 1ot5A1 LYS 571 HG2 -0.06 0.03 -0.18 -0.04 1.46 1.20 1ot5A1 LYS 571 HG3 -0.09 -0.09 -0.73 -0.04 1.46 0.51 1ot5A1 LYS 571 HD2 -0.04 0.00 -0.20 -0.04 1.69 1.41 1ot5A1 LYS 571 HD3 -0.06 -0.02 -0.18 -0.04 1.68 1.37 1ot5A1 LYS 571 HE2 -0.05 0.00 -0.14 -0.04 2.99 2.76 1ot5A1 LYS 571 HE3 -0.04 0.01 -0.13 -0.04 2.99 2.79 1ot5A1 VAL 572 H -0.18 0.77 0.26 -0.55 8.24 8.54 1ot5A1 VAL 572 HA -0.25 0.38 1.13 -0.75 4.13 4.63 1ot5A1 VAL 572 HB -0.42 -0.02 0.09 -0.04 2.12 1.74 1ot5A1 VAL 572 HG13 -0.25 0.00 -0.14 -0.04 0.97 0.54 1ot5A1 VAL 572 HG23 -1.01 -0.02 -0.15 -0.04 0.95 -0.28 1ot5A1 LYS 573 H -0.11 0.51 0.31 -0.55 8.42 8.58 1ot5A1 LYS 573 HA -0.03 0.03 0.62 -0.75 4.32 4.18 1ot5A1 LYS 573 HB2 -0.03 0.17 0.11 -0.04 1.87 2.08 1ot5A1 LYS 573 HB3 -0.05 0.03 -0.13 -0.04 1.79 1.60 1ot5A1 LYS 573 HG2 -0.08 -0.06 -0.23 -0.04 1.46 1.05 1ot5A1 LYS 573 HG3 -0.05 -0.02 -0.24 -0.04 1.46 1.11 1ot5A1 LYS 573 HD2 -0.05 -0.04 -0.15 -0.04 1.69 1.40 1ot5A1 LYS 573 HD3 -0.04 0.13 -0.11 -0.04 1.68 1.62 1ot5A1 LYS 573 HE2 -0.05 0.01 -0.20 -0.04 2.99 2.72 1ot5A1 LYS 573 HE3 -0.07 -0.05 -0.28 -0.04 2.99 2.54 1ot5A1 THR 574 H -0.01 0.20 0.14 -0.55 8.28 8.07 1ot5A1 THR 574 HA 0.03 0.35 0.97 -0.75 4.39 4.99 1ot5A1 THR 574 HB 0.00 -0.16 -0.22 -0.04 4.32 3.90 1ot5A1 THR 574 HG23 0.09 0.21 0.04 -0.04 1.22 1.51 1ot5A1 THR 575 H 0.01 0.50 0.26 -0.55 8.28 8.51 1ot5A1 THR 575 HA -0.03 0.20 0.83 -0.75 4.39 4.64 1ot5A1 THR 575 HB -0.02 -0.03 0.16 -0.04 4.32 4.39 1ot5A1 THR 575 HG23 -0.02 0.02 -0.17 -0.04 1.22 1.01 1ot5A1 GLU 576 H -0.07 0.17 -0.19 -0.55 8.60 7.96 1ot5A1 GLU 576 HA -0.16 0.12 0.76 -0.75 4.29 4.26 1ot5A1 GLU 576 HB2 -0.25 -0.03 -0.17 -0.04 2.09 1.60 1ot5A1 GLU 576 HB3 -1.19 -0.03 -0.01 -0.04 1.99 0.72 1ot5A1 GLU 576 HG2 -0.32 -0.01 -0.02 -0.04 2.34 1.95 1ot5A1 GLU 576 HG3 -0.30 0.03 0.04 -0.04 2.34 2.07 1ot5A1 ASN 577 H -0.11 0.15 0.11 -0.55 8.53 8.12 1ot5A1 ASN 577 HA -0.05 0.12 0.50 -0.75 4.76 4.58 1ot5A1 ASN 577 HB2 -0.06 0.03 0.17 -0.04 2.88 2.98 1ot5A1 ASN 577 HB3 -0.03 0.05 0.09 -0.04 2.79 2.87 1ot5A1 ASN 577 HD21 -0.03 0.01 0.05 -0.04 7.03 7.03 1ot5A1 ASN 577 HD22 -0.04 0.06 0.07 -0.04 7.74 7.80 1ot5A1 GLY 578 H 0.00 0.64 0.31 -0.55 8.43 8.83 1ot5A1 GLY 578 HA2 0.04 -0.04 0.40 -0.51 4.01 3.90 1ot5A1 GLY 578 HA3 0.05 0.18 0.76 -0.51 4.01 4.49 1ot5A1 HIS 579 H 0.03 0.49 -0.35 -0.55 8.41 8.04 1ot5A1 HIS 579 HA 0.00 0.07 0.69 -0.75 4.63 4.63 1ot5A1 HIS 579 HB2 0.00 0.06 0.19 -0.04 3.26 3.48 1ot5A1 HIS 579 HB3 0.00 -0.05 0.05 -0.04 3.20 3.16 1ot5A1 HIS 579 HD2 -0.00 -0.03 -0.38 -0.04 6.97 6.52 1ot5A1 HIS 579 HE1 -0.01 0.02 -0.05 -0.04 7.75 7.67 1ot5A1 ARG 580 H 0.07 0.22 0.17 -0.55 8.46 8.36 1ot5A1 ARG 580 HA 0.05 0.26 0.75 -0.75 4.34 4.65 1ot5A1 ARG 580 HB2 0.04 -0.03 0.00 -0.04 1.90 1.88 1ot5A1 ARG 580 HB3 0.04 -0.03 0.10 -0.04 1.80 1.87 1ot5A1 ARG 580 HG2 0.04 -0.04 -0.37 -0.04 1.67 1.25 1ot5A1 ARG 580 HG3 0.04 0.06 -0.06 -0.04 1.67 1.67 1ot5A1 ARG 580 HD2 0.03 0.00 -0.07 -0.04 3.22 3.14 1ot5A1 ARG 580 HD3 0.04 -0.00 -0.13 -0.04 3.22 3.08 1ot5A1 ILE 581 H 0.04 0.59 0.42 -0.55 8.25 8.76 1ot5A1 ILE 581 HA 0.04 0.25 0.98 -0.75 4.18 4.69 1ot5A1 ILE 581 HB 0.05 0.00 -0.07 -0.04 1.89 1.83 1ot5A1 ILE 581 HG12 0.04 0.10 0.09 -0.04 1.49 1.68 1ot5A1 ILE 581 HG13 0.04 -0.10 -0.11 -0.04 1.21 0.99 1ot5A1 ILE 581 HG23 0.06 0.02 -0.24 -0.04 0.93 0.73 1ot5A1 ILE 581 HD13 -0.00 0.02 -0.31 -0.04 0.88 0.54 1ot5A1 ASP 582 H -0.00 0.72 0.22 -0.55 8.40 8.80 1ot5A1 ASP 582 HA -0.01 0.26 1.11 -0.75 4.63 5.24 1ot5A1 ASP 582 HB2 -0.17 -0.15 0.20 -0.04 2.71 2.55 1ot5A1 ASP 582 HB3 -0.14 0.07 -0.01 -0.04 2.70 2.58 1ot5A1 PHE 583 H 0.13 0.43 0.12 -0.55 8.34 8.47 1ot5A1 PHE 583 HA -0.06 0.03 0.69 -0.75 4.62 4.52 1ot5A1 PHE 583 HB2 -0.02 -0.01 -0.01 -0.04 3.15 3.07 1ot5A1 PHE 583 HB3 -0.00 -0.01 0.11 -0.04 3.06 3.11 1ot5A1 PHE 583 HD2 0.02 0.02 -0.10 -0.04 7.28 7.18 1ot5A1 PHE 583 HE2 0.02 0.09 -0.23 -0.04 7.38 7.22 1ot5A1 PHE 583 HZ -0.10 -0.01 -0.20 -0.04 7.32 6.97 1ot5A1 HIS 584 H 0.12 0.61 0.53 -0.55 8.41 9.13 1ot5A1 HIS 584 HA 0.04 0.02 0.72 -0.75 4.63 4.66 1ot5A1 HIS 584 HB2 0.14 0.10 0.31 -0.04 3.26 3.78 1ot5A1 HIS 584 HB3 0.11 -0.04 0.04 -0.04 3.20 3.26 1ot5A1 HIS 584 HD2 0.12 -0.06 -0.16 -0.04 6.97 6.82 1ot5A1 HIS 584 HE1 0.07 -0.00 -0.08 -0.04 7.75 7.69 1ot5A1 SER 585 H 0.24 0.30 0.37 -0.55 8.46 8.83 1ot5A1 SER 585 HA -0.12 0.22 0.96 -0.75 4.49 4.79 1ot5A1 SER 585 HB2 -0.34 0.02 -0.01 -0.04 3.95 3.58 1ot5A1 SER 585 HB3 -0.09 0.01 -0.19 -0.04 3.93 3.62 1ot5A1 TRP 586 H -0.03 0.46 0.33 -0.55 7.97 8.18 1ot5A1 TRP 586 HA 0.08 0.32 0.84 -0.75 4.62 5.11 1ot5A1 TRP 586 HB2 0.37 0.02 -0.04 -0.04 3.23 3.54 1ot5A1 TRP 586 HB3 0.16 -0.04 -0.17 -0.04 3.23 3.14 1ot5A1 TRP 586 HD1 0.05 -0.00 -0.26 -0.04 7.22 6.97 1ot5A1 TRP 586 HE1 0.01 0.00 -0.21 -0.04 10.20 9.97 1ot5A1 TRP 586 HE3 0.03 -0.02 -0.08 -0.04 7.59 7.48 1ot5A1 TRP 586 HZ2 0.09 0.02 -0.17 -0.04 7.44 7.33 1ot5A1 TRP 586 HZ3 0.05 -0.06 -0.26 -0.04 7.13 6.82 1ot5A1 TRP 586 HH2 0.09 0.01 -0.34 -0.04 7.19 6.90 1ot5A1 ARG 587 H 0.13 0.57 0.24 -0.55 8.46 8.85 1ot5A1 ARG 587 HA -0.56 0.21 0.93 -0.75 4.34 4.17 1ot5A1 ARG 587 HB2 -0.22 -0.08 -0.11 -0.04 1.90 1.46 1ot5A1 ARG 587 HB3 -0.16 -0.07 0.12 -0.04 1.80 1.65 1ot5A1 ARG 587 HG2 -0.29 0.09 -0.26 -0.04 1.67 1.16 1ot5A1 ARG 587 HG3 -0.30 0.10 -0.18 -0.04 1.67 1.25 1ot5A1 ARG 587 HD2 -0.20 -0.08 -0.05 -0.04 3.22 2.84 1ot5A1 ARG 587 HD3 -0.27 -0.06 -0.09 -0.04 3.22 2.76 1ot5A1 LEU 588 H -0.55 0.20 0.06 -0.55 8.37 7.54 1ot5A1 LEU 588 HA 0.00 0.20 0.78 -0.75 4.35 4.58 1ot5A1 LEU 588 HB2 0.18 -0.03 -0.00 -0.04 1.64 1.74 1ot5A1 LEU 588 HB3 -0.28 0.00 0.09 -0.04 1.64 1.41 1ot5A1 LEU 588 HG -0.34 0.01 -0.31 -0.04 1.64 0.96 1ot5A1 LEU 588 HD13 -0.17 0.02 -0.04 -0.04 0.93 0.70 1ot5A1 LEU 588 HD23 -0.46 -0.00 -0.10 -0.04 0.89 0.29 1ot5A1 LYS 589 H -0.09 0.64 0.37 -0.55 8.42 8.79 1ot5A1 LYS 589 HA -0.18 0.18 0.97 -0.75 4.32 4.54 1ot5A1 LYS 589 HB2 -0.04 -0.05 0.07 -0.04 1.87 1.82 1ot5A1 LYS 589 HB3 -0.21 0.02 -0.12 -0.04 1.79 1.44 1ot5A1 LYS 589 HG2 -0.53 -0.00 -0.04 -0.04 1.46 0.84 1ot5A1 LYS 589 HG3 -0.31 0.02 -0.42 -0.04 1.46 0.71 1ot5A1 LYS 589 HD2 -0.27 -0.03 -0.13 -0.04 1.69 1.22 1ot5A1 LYS 589 HD3 -0.76 0.01 -0.11 -0.04 1.68 0.78 1ot5A1 LYS 589 HE2 -1.11 0.01 -0.09 -0.04 2.99 1.76 1ot5A1 LYS 589 HE3 -0.44 -0.00 -0.12 -0.04 2.99 2.39 1ot5A1 LEU 590 H -0.18 0.53 0.18 -0.55 8.37 8.35 1ot5A1 LEU 590 HA -0.04 0.17 0.98 -0.75 4.35 4.71 1ot5A1 LEU 590 HB2 -0.32 0.11 0.15 -0.04 1.64 1.54 1ot5A1 LEU 590 HB3 -0.52 0.02 -0.16 -0.04 1.64 0.94 1ot5A1 LEU 590 HG -0.22 0.01 -0.08 -0.04 1.64 1.31 1ot5A1 LEU 590 HD13 -0.67 0.01 -0.21 -0.04 0.93 0.02 1ot5A1 LEU 590 HD23 -0.39 0.02 -0.12 -0.04 0.89 0.36 1ot5A1 PHE 591 H 0.34 0.68 0.37 -0.55 8.34 9.19 1ot5A1 PHE 591 HA 0.44 0.27 1.04 -0.75 4.62 5.62 1ot5A1 PHE 591 HB2 0.18 -0.06 0.19 -0.04 3.15 3.41 1ot5A1 PHE 591 HB3 0.25 0.05 0.11 -0.04 3.06 3.42 1ot5A1 PHE 591 HD2 0.21 0.09 -0.16 -0.04 7.28 7.38 1ot5A1 PHE 591 HE2 -0.12 -0.01 -0.15 -0.04 7.38 7.05 1ot5A1 PHE 591 HZ -0.11 -0.03 -0.13 -0.04 7.32 7.02 1ot5A1 GLY 592 H 0.30 0.50 0.20 -0.55 8.43 8.88 1ot5A1 GLY 592 HA2 -0.17 -0.03 0.43 -0.51 4.01 3.73 1ot5A1 GLY 592 HA3 -0.35 0.39 0.48 -0.51 4.01 4.03 1ot5A1 GLU 593 H -0.30 0.39 0.17 -0.55 8.60 8.31 1ot5A1 GLU 593 HA -0.11 0.16 0.56 -0.75 4.29 4.14 1ot5A1 GLU 593 HB2 -0.02 0.00 0.03 -0.04 2.09 2.06 1ot5A1 GLU 593 HB3 -0.13 -0.08 0.11 -0.04 1.99 1.85 1ot5A1 GLU 593 HG2 -0.13 0.29 -0.23 -0.04 2.34 2.23 1ot5A1 GLU 593 HG3 -0.10 -0.01 -0.01 -0.04 2.34 2.17 1ot5A1 SER 594 H -0.13 0.48 0.09 -0.55 8.46 8.35 1ot5A1 SER 594 HA -0.20 0.22 0.68 -0.75 4.49 4.43 1ot5A1 SER 594 HB2 -0.12 0.03 0.05 -0.04 3.95 3.87 1ot5A1 SER 594 HB3 -0.14 0.06 -0.02 -0.04 3.93 3.79 1ot5A1 ILE 595 H -0.11 0.45 0.08 -0.55 8.25 8.12 1ot5A1 ILE 595 HA -0.09 0.03 0.36 -0.75 4.18 3.73 1ot5A1 ILE 595 HB -0.07 -0.01 0.08 -0.04 1.89 1.85 1ot5A1 ILE 595 HG12 -0.08 -0.01 -0.46 -0.04 1.49 0.90 1ot5A1 ILE 595 HG13 -0.05 0.03 -0.07 -0.04 1.21 1.08 1ot5A1 ILE 595 HG23 -0.05 -0.01 -0.08 -0.04 0.93 0.75 1ot5A1 ILE 595 HD13 -0.06 0.03 -0.22 -0.04 0.88 0.59 1ot5A1 ASP 596 H -0.08 0.25 -0.00 -0.55 8.40 8.02 1ot5A1 ASP 596 HA -0.06 0.08 0.57 -0.75 4.63 4.46 1ot5A1 ASP 596 HB2 -0.05 0.04 0.10 -0.04 2.71 2.76 1ot5A1 ASP 596 HB3 -0.05 -0.08 -0.22 -0.04 2.70 2.31 1ot5A1 SER 597 H -0.05 0.13 0.14 -0.55 8.46 8.13 1ot5A1 SER 597 HA -0.06 0.20 0.69 -0.75 4.49 4.57 1ot5A1 SER 597 HB2 -0.03 0.07 0.03 -0.04 3.95 3.98 1ot5A1 SER 597 HB3 -0.02 0.03 0.20 -0.04 3.93 4.10 1ot5A1 SER 598 H -0.03 0.20 0.16 -0.55 8.46 8.24 1ot5A1 SER 598 HA -0.02 0.01 0.34 -0.75 4.49 4.07 1ot5A1 SER 598 HB2 -0.02 0.12 -0.39 -0.04 3.95 3.62 1ot5A1 SER 598 HB3 -0.02 0.00 0.13 -0.04 3.93 4.00 1ot5A1 LYS 599 H -0.05 0.13 -0.73 -0.55 8.42 7.22 1ot5A1 LYS 599 HA -0.04 0.24 0.71 -0.75 4.32 4.48 1ot5A1 LYS 599 HB2 -0.06 0.17 -0.05 -0.04 1.87 1.89 1ot5A1 LYS 599 HB3 -0.05 -0.00 0.02 -0.04 1.79 1.72 1ot5A1 LYS 599 HG2 -0.03 0.01 -0.11 -0.04 1.46 1.28 1ot5A1 LYS 599 HG3 -0.04 0.07 -0.27 -0.04 1.46 1.18 1ot5A1 LYS 599 HD2 -0.04 -0.00 -0.05 -0.04 1.69 1.55 1ot5A1 LYS 599 HD3 -0.04 -0.01 -0.03 -0.04 1.68 1.57 1ot5A1 LYS 599 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 1ot5A1 LYS 599 HE3 -0.03 0.01 -0.06 -0.04 2.99 2.87