============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 9 0.900 -5.522 80.615 -10.499 -99.200 -91.000 PHE 15 1.000 -14.810 86.216 6.717 -99.200 -91.000 PHE 29 1.000 -11.132 80.920 -6.856 -99.200 -91.000 HIS 37 0.900 2.724 81.026 -12.454 -99.200 -91.000 HIS 40 0.900 9.006 75.368 -21.373 -99.200 -91.000 TRP 53 1.040 14.429 90.543 -9.359 -99.200 -91.000 TRP6 53 1.020 16.146 91.686 -8.236 -99.200 -91.000 TYR 80 0.840 -0.647 78.296 -7.038 -99.200 -91.000 TYR 83 0.840 6.043 76.566 -7.613 -99.200 -91.000 HIS 96 0.900 12.186 82.273 2.670 -99.200 -91.000 TYR 109 0.840 1.101 89.176 -7.411 -99.200 -91.000 TYR 118 0.840 -3.587 90.565 -10.316 -99.200 -91.000 HIS 122 0.900 -11.675 100.244 -5.500 -99.200 -91.000 PHE 126 1.000 -14.585 102.395 2.583 -99.200 -91.000 PHE 128 1.000 -6.371 93.745 4.234 -99.200 -91.000 PHE 130 1.000 -2.597 91.207 8.457 -99.200 -91.000 TYR 146 0.840 3.893 93.897 -1.217 -99.200 -91.000 HIS 151 0.900 -4.721 96.658 -16.575 -99.200 -91.000 TYR 159 0.840 2.298 90.532 -29.749 -99.200 -91.000 TYR 165 0.840 -6.456 80.906 -15.078 -99.200 -91.000 TYR 166 0.840 -1.322 81.128 -17.128 -99.200 -91.000 TYR 170 0.840 5.681 92.872 -7.459 -99.200 -91.000 PHE 176 1.000 13.669 95.696 -6.405 -99.200 -91.000 PHE 180 1.000 9.005 87.371 -20.182 -99.200 -91.000 TRP 200 1.040 2.573 91.559 8.303 -99.200 -91.000 TRP6 200 1.020 2.555 91.605 10.666 -99.200 -91.000 HIS 208 0.900 9.082 99.638 8.137 -99.200 -91.000 HIS 212 0.900 7.785 102.193 0.356 -99.200 -91.000 TYR 220 0.840 7.138 106.142 -15.554 -99.200 -91.000 PHE 229 1.000 16.902 107.917 -1.815 -99.200 -91.000 TRP 240 1.040 3.444 103.499 12.869 -99.200 -91.000 TRP6 240 1.020 3.483 105.564 14.024 -99.200 -91.000 TYR 243 0.840 12.105 97.218 19.042 -99.200 -91.000 TYR 250 0.840 2.413 98.622 20.280 -99.200 -91.000 TYR 251 0.840 5.417 92.868 16.474 -99.200 -91.000 PHE 257 1.000 8.968 92.287 23.710 -99.200 -91.000 PHE 265 1.000 0.525 89.664 16.041 -99.200 -91.000 PHE 271 1.000 -5.054 101.890 4.674 -99.200 -91.000 HIS 283 0.900 -5.629 104.077 14.882 -99.200 -91.000 PHE 285 1.000 -7.158 99.550 16.091 -99.200 -91.000 TYR 286 0.840 -0.137 95.666 15.956 -99.200 -91.000 PHE 296 1.000 3.994 102.451 17.960 -99.200 -91.000 TYR 297 0.840 -0.479 109.121 21.361 -99.200 -91.000 TYR 305 0.840 2.160 112.663 22.100 -99.200 -91.000 PHE 313 1.000 6.494 109.276 11.984 -99.200 -91.000 TYR 322 0.840 4.730 109.507 2.375 -99.200 -91.000 TRP 346 1.040 10.433 89.900 1.328 -99.200 -91.000 TRP6 346 1.020 12.214 91.460 1.120 -99.200 -91.000 TRP 347 1.040 16.420 84.334 2.378 -99.200 -91.000 TRP6 347 1.020 16.840 82.289 3.492 -99.200 -91.000 TRP 355 1.040 14.815 96.919 5.311 -99.200 -91.000 TRP6 355 1.020 12.486 96.753 5.640 -99.200 -91.000 HIS 358 0.900 21.588 95.931 13.301 -99.200 -91.000 PHE 380 1.000 12.233 72.684 7.784 -99.200 -91.000 TYR 385 0.840 0.286 87.192 5.848 -99.200 -91.000 TRP 390 1.040 -11.542 94.571 1.372 -99.200 -91.000 TRP6 390 1.020 -10.664 92.410 0.916 -99.200 -91.000 TYR 397 0.840 -11.756 97.117 15.717 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ojiA1 LYS 2 HA -0.11 -0.08 0.34 -0.75 4.32 3.71 1ojiA1 LYS 2 HB2 -0.04 0.35 0.19 -0.04 1.87 2.33 1ojiA1 LYS 2 HB3 -0.08 -0.15 0.02 -0.04 1.79 1.54 1ojiA1 LYS 2 HG2 -0.06 0.14 -0.09 -0.04 1.46 1.41 1ojiA1 LYS 2 HG3 -0.04 -0.07 0.11 -0.04 1.46 1.43 1ojiA1 LYS 2 HD2 -0.01 0.10 0.14 -0.04 1.69 1.88 1ojiA1 LYS 2 HD3 -0.02 -0.09 -0.01 -0.04 1.68 1.51 1ojiA1 LYS 2 HE2 -0.00 -0.02 0.06 -0.04 2.99 2.99 1ojiA1 LYS 2 HE3 0.00 -0.09 0.05 -0.04 2.99 2.91 1ojiA1 PRO 3 HA -0.35 0.25 0.70 -0.51 4.44 4.54 1ojiA1 PRO 3 HB2 -0.13 0.01 0.08 -0.04 2.28 2.20 1ojiA1 PRO 3 HB3 -0.58 0.00 0.12 -0.04 2.02 1.51 1ojiA1 PRO 3 HG2 -0.22 -0.01 0.00 -0.04 2.03 1.76 1ojiA1 PRO 3 HG3 -0.62 -0.05 0.07 -0.04 2.03 1.39 1ojiA1 PRO 3 HD2 -0.13 0.07 0.21 -0.04 3.68 3.79 1ojiA1 PRO 3 HD3 -0.19 0.10 0.21 -0.04 3.65 3.73 1ojiA1 GLY 4 H -0.04 0.43 0.31 -0.55 8.43 8.59 1ojiA1 GLY 4 HA2 0.00 0.16 0.62 -0.51 4.01 4.28 1ojiA1 GLY 4 HA3 0.04 -0.08 0.29 -0.51 4.01 3.75 1ojiA1 GLU 5 H 0.07 0.07 0.13 -0.55 8.60 8.33 1ojiA1 GLU 5 HA 0.05 0.18 0.45 -0.75 4.29 4.22 1ojiA1 GLU 5 HB2 0.05 -0.03 0.05 -0.04 2.09 2.12 1ojiA1 GLU 5 HB3 0.04 -0.01 0.07 -0.04 1.99 2.05 1ojiA1 GLU 5 HG2 0.04 0.01 -0.01 -0.04 2.34 2.33 1ojiA1 GLU 5 HG3 0.04 -0.01 0.03 -0.04 2.34 2.36 1ojiA1 THR 6 H 0.08 0.00 -0.01 -0.55 8.28 7.81 1ojiA1 THR 6 HA 0.06 -0.00 0.46 -0.75 4.39 4.16 1ojiA1 THR 6 HB 0.10 -0.01 0.04 -0.04 4.32 4.41 1ojiA1 THR 6 HG23 0.06 0.04 -0.09 -0.04 1.22 1.19 1ojiA1 LYS 7 H 0.05 0.04 0.14 -0.55 8.42 8.09 1ojiA1 LYS 7 HA 0.09 0.15 0.43 -0.75 4.32 4.24 1ojiA1 LYS 7 HB2 0.04 0.07 0.04 -0.04 1.87 1.98 1ojiA1 LYS 7 HB3 0.05 0.02 0.09 -0.04 1.79 1.91 1ojiA1 LYS 7 HG2 0.03 -0.09 0.07 -0.04 1.46 1.43 1ojiA1 LYS 7 HG3 0.02 0.03 -0.23 -0.04 1.46 1.24 1ojiA1 LYS 7 HD2 0.03 0.00 0.03 -0.04 1.69 1.71 1ojiA1 LYS 7 HD3 0.02 -0.04 0.00 -0.04 1.68 1.63 1ojiA1 LYS 7 HE2 0.02 0.08 -0.07 -0.04 2.99 2.97 1ojiA1 LYS 7 HE3 0.02 0.01 0.00 -0.04 2.99 2.98 1ojiA1 GLU 8 H 0.04 0.18 0.15 -0.55 8.60 8.42 1ojiA1 GLU 8 HA -0.09 0.07 0.68 -0.75 4.29 4.19 1ojiA1 GLU 8 HB2 -0.35 0.01 0.10 -0.04 2.09 1.80 1ojiA1 GLU 8 HB3 -0.41 -0.01 0.16 -0.04 1.99 1.68 1ojiA1 GLU 8 HG2 -1.04 0.23 0.05 -0.04 2.34 1.54 1ojiA1 GLU 8 HG3 -0.95 -0.04 -0.13 -0.04 2.34 1.18 1ojiA1 VAL 9 H -0.06 0.72 0.23 -0.55 8.24 8.58 1ojiA1 VAL 9 HA -0.14 0.14 1.01 -0.75 4.13 4.39 1ojiA1 VAL 9 HB -0.01 0.09 0.18 -0.04 2.12 2.35 1ojiA1 VAL 9 HG13 -0.02 -0.02 -0.05 -0.04 0.97 0.83 1ojiA1 VAL 9 HG23 -0.01 -0.01 -0.16 -0.04 0.95 0.72 1ojiA1 HIS 10 H -0.20 0.15 0.05 -0.55 8.41 7.87 1ojiA1 HIS 10 HA -0.67 0.15 0.47 -0.75 4.63 3.83 1ojiA1 HIS 10 HB2 -0.18 -0.10 0.07 -0.04 3.26 3.01 1ojiA1 HIS 10 HB3 -0.12 0.11 0.03 -0.04 3.20 3.17 1ojiA1 HIS 10 HD2 -0.14 0.04 0.01 -0.04 6.97 6.83 1ojiA1 HIS 10 HE1 -2.36 -0.02 0.05 -0.04 7.75 5.38 1ojiA1 PRO 11 HA -0.04 0.01 0.63 -0.51 4.44 4.53 1ojiA1 PRO 11 HB2 -0.09 -0.01 -0.02 -0.04 2.28 2.12 1ojiA1 PRO 11 HB3 -0.06 -0.04 0.08 -0.04 2.02 1.96 1ojiA1 PRO 11 HG2 -0.17 0.03 -0.06 -0.04 2.03 1.79 1ojiA1 PRO 11 HG3 -0.18 -0.01 0.08 -0.04 2.03 1.88 1ojiA1 PRO 11 HD2 -0.69 0.21 0.22 -0.04 3.68 3.37 1ojiA1 PRO 11 HD3 -1.49 0.22 0.33 -0.04 3.65 2.67 1ojiA1 GLN 12 H -0.01 0.08 0.25 -0.55 8.47 8.24 1ojiA1 GLN 12 HA -0.45 0.26 0.96 -0.75 4.36 4.38 1ojiA1 GLN 12 HB2 0.00 0.03 0.12 -0.04 2.15 2.26 1ojiA1 GLN 12 HB3 -0.10 -0.09 0.14 -0.04 2.02 1.94 1ojiA1 GLN 12 HG2 -0.33 -0.03 -0.07 -0.04 2.40 1.93 1ojiA1 GLN 12 HG3 -0.96 0.11 0.09 -0.04 2.39 1.59 1ojiA1 GLN 12 HE21 -0.07 -0.03 -0.01 -0.04 6.97 6.82 1ojiA1 GLN 12 HE22 -0.15 -0.01 -0.06 -0.04 7.69 7.42 1ojiA1 LEU 13 H -0.35 0.86 0.29 -0.55 8.37 8.61 1ojiA1 LEU 13 HA -0.09 0.21 0.74 -0.75 4.35 4.45 1ojiA1 LEU 13 HB2 -0.05 0.01 -0.37 -0.04 1.64 1.19 1ojiA1 LEU 13 HB3 -0.07 -0.05 -0.20 -0.04 1.64 1.28 1ojiA1 LEU 13 HG -0.03 0.10 -0.39 -0.04 1.64 1.28 1ojiA1 LEU 13 HD13 0.01 0.03 -0.37 -0.04 0.93 0.56 1ojiA1 LEU 13 HD23 0.05 -0.03 -0.25 -0.04 0.89 0.63 1ojiA1 THR 14 H -0.11 0.55 0.19 -0.55 8.28 8.37 1ojiA1 THR 14 HA -0.25 0.30 1.03 -0.75 4.39 4.71 1ojiA1 THR 14 HB -0.16 -0.11 -0.00 -0.04 4.32 4.01 1ojiA1 THR 14 HG23 -0.43 0.02 0.01 -0.04 1.22 0.78 1ojiA1 THR 15 H -0.30 0.43 0.28 -0.55 8.28 8.15 1ojiA1 THR 15 HA -0.10 0.16 0.79 -0.75 4.39 4.48 1ojiA1 THR 15 HB -0.03 0.09 0.14 -0.04 4.32 4.48 1ojiA1 THR 15 HG23 0.10 -0.00 -0.23 -0.04 1.22 1.05 1ojiA1 PHE 16 H -0.22 0.48 0.33 -0.55 8.34 8.37 1ojiA1 PHE 16 HA -0.25 0.25 0.97 -0.75 4.62 4.83 1ojiA1 PHE 16 HB2 -0.20 -0.01 -0.05 -0.04 3.15 2.85 1ojiA1 PHE 16 HB3 -0.18 -0.04 -0.15 -0.04 3.06 2.65 1ojiA1 PHE 16 HD2 -0.10 0.05 -0.47 -0.04 7.28 6.72 1ojiA1 PHE 16 HE2 -0.05 -0.03 -0.10 -0.04 7.38 7.16 1ojiA1 PHE 16 HZ -0.05 -0.05 -0.08 -0.04 7.32 7.10 1ojiA1 ARG 17 H -0.14 0.67 0.33 -0.55 8.46 8.77 1ojiA1 ARG 17 HA -0.50 0.26 1.02 -0.75 4.34 4.37 1ojiA1 ARG 17 HB2 -0.16 0.01 0.16 -0.04 1.90 1.87 1ojiA1 ARG 17 HB3 -0.20 -0.01 0.06 -0.04 1.80 1.61 1ojiA1 ARG 17 HG2 -0.33 -0.00 -0.14 -0.04 1.67 1.15 1ojiA1 ARG 17 HG3 -0.19 -0.02 -0.02 -0.04 1.67 1.40 1ojiA1 ARG 17 HD2 -0.44 -0.01 0.01 -0.04 3.22 2.74 1ojiA1 ARG 17 HD3 -1.27 0.16 -0.03 -0.04 3.22 2.03 1ojiA1 CYS 18 H -0.12 0.55 0.34 -0.55 8.50 8.72 1ojiA1 CYS 18 HA -0.03 0.49 0.90 -0.75 4.58 5.19 1ojiA1 CYS 18 HB2 0.02 -0.14 -0.39 -0.04 2.97 2.42 1ojiA1 CYS 18 HB3 -0.02 0.15 -0.38 -0.04 2.97 2.68 1ojiA1 THR 19 H -0.00 0.58 0.17 -0.55 8.28 8.48 1ojiA1 THR 19 HA 0.06 0.06 0.73 -0.75 4.39 4.49 1ojiA1 THR 19 HB 0.03 -0.13 0.15 -0.04 4.32 4.33 1ojiA1 THR 19 HG23 0.03 0.04 -0.15 -0.04 1.22 1.10 1ojiA1 LYS 20 H 0.03 0.15 0.12 -0.55 8.42 8.18 1ojiA1 LYS 20 HA -0.01 0.17 0.44 -0.75 4.32 4.16 1ojiA1 LYS 20 HB2 0.01 -0.08 0.13 -0.04 1.87 1.89 1ojiA1 LYS 20 HB3 -0.00 0.06 0.01 -0.04 1.79 1.82 1ojiA1 LYS 20 HG2 0.03 -0.05 -0.05 -0.04 1.46 1.35 1ojiA1 LYS 20 HG3 0.02 -0.01 0.02 -0.04 1.46 1.45 1ojiA1 LYS 20 HD2 -0.02 0.03 -0.04 -0.04 1.69 1.62 1ojiA1 LYS 20 HD3 -0.00 0.11 -0.15 -0.04 1.68 1.59 1ojiA1 LYS 20 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.90 1ojiA1 LYS 20 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1ojiA1 ARG 21 H 0.01 -0.02 -0.07 -0.55 8.46 7.82 1ojiA1 ARG 21 HA -0.00 0.10 0.30 -0.75 4.34 3.99 1ojiA1 ARG 21 HB2 0.01 -0.03 0.12 -0.04 1.90 1.96 1ojiA1 ARG 21 HB3 0.01 -0.06 0.12 -0.04 1.80 1.83 1ojiA1 ARG 21 HG2 0.00 0.06 -0.11 -0.04 1.67 1.58 1ojiA1 ARG 21 HG3 0.00 0.01 0.02 -0.04 1.67 1.66 1ojiA1 ARG 21 HD2 0.01 -0.02 0.02 -0.04 3.22 3.19 1ojiA1 ARG 21 HD3 0.01 -0.00 0.01 -0.04 3.22 3.19 1ojiA1 GLY 22 H 0.00 -0.02 -0.11 -0.55 8.43 7.76 1ojiA1 GLY 22 HA2 -0.01 0.16 0.57 -0.51 4.01 4.22 1ojiA1 GLY 22 HA3 -0.01 -0.02 0.24 -0.51 4.01 3.72 1ojiA1 GLY 23 H -0.01 0.18 -0.39 -0.55 8.43 7.66 1ojiA1 GLY 23 HA2 -0.03 0.16 0.34 -0.51 4.01 3.96 1ojiA1 GLY 23 HA3 -0.03 0.05 0.47 -0.51 4.01 3.98 1ojiA1 CYS 24 H -0.07 0.11 0.13 -0.55 8.50 8.13 1ojiA1 CYS 24 HA -0.03 0.13 0.51 -0.75 4.58 4.44 1ojiA1 CYS 24 HB2 -0.20 -0.02 0.09 -0.04 2.97 2.80 1ojiA1 CYS 24 HB3 -0.20 -0.01 -0.17 -0.04 2.97 2.55 1ojiA1 LYS 25 H 0.03 0.54 0.33 -0.55 8.42 8.76 1ojiA1 LYS 25 HA 0.09 0.19 0.93 -0.75 4.32 4.77 1ojiA1 LYS 25 HB2 -0.03 -0.04 0.14 -0.04 1.87 1.90 1ojiA1 LYS 25 HB3 -0.01 0.00 0.10 -0.04 1.79 1.84 1ojiA1 LYS 25 HG2 0.00 0.05 -0.17 -0.04 1.46 1.31 1ojiA1 LYS 25 HG3 -0.01 0.10 -0.37 -0.04 1.46 1.15 1ojiA1 LYS 25 HD2 -0.02 -0.06 -0.05 -0.04 1.69 1.53 1ojiA1 LYS 25 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.58 1ojiA1 LYS 25 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.90 1ojiA1 LYS 25 HE3 -0.01 -0.07 -0.01 -0.04 2.99 2.86 1ojiA1 PRO 26 HA -0.68 0.24 0.56 -0.51 4.44 4.05 1ojiA1 PRO 26 HB2 -0.24 0.01 0.00 -0.04 2.28 2.01 1ojiA1 PRO 26 HB3 -0.24 0.01 0.09 -0.04 2.02 1.84 1ojiA1 PRO 26 HG2 -0.07 0.00 0.10 -0.04 2.03 2.03 1ojiA1 PRO 26 HG3 -0.00 0.02 0.09 -0.04 2.03 2.09 1ojiA1 PRO 26 HD2 0.01 0.08 0.25 -0.04 3.68 3.97 1ojiA1 PRO 26 HD3 0.12 0.19 0.24 -0.04 3.65 4.16 1ojiA1 ALA 27 H -0.48 0.67 0.39 -0.55 8.40 8.43 1ojiA1 ALA 27 HA -0.16 0.10 0.82 -0.75 4.34 4.35 1ojiA1 ALA 27 HB3 -0.21 0.00 -0.12 -0.04 1.41 1.04 1ojiA1 THR 28 H -0.11 0.14 0.18 -0.55 8.28 7.94 1ojiA1 THR 28 HA -0.23 0.20 1.05 -0.75 4.39 4.66 1ojiA1 THR 28 HB -0.08 -0.05 0.16 -0.04 4.32 4.31 1ojiA1 THR 28 HG23 -0.37 0.02 -0.06 -0.04 1.22 0.77 1ojiA1 ASN 29 H -0.30 0.62 0.40 -0.55 8.53 8.69 1ojiA1 ASN 29 HA -0.07 0.13 0.67 -0.75 4.76 4.73 1ojiA1 ASN 29 HB2 -0.06 0.07 0.00 -0.04 2.88 2.85 1ojiA1 ASN 29 HB3 0.02 0.09 0.10 -0.04 2.79 2.95 1ojiA1 ASN 29 HD21 0.16 -0.13 -0.05 -0.04 7.03 6.96 1ojiA1 ASN 29 HD22 0.10 0.43 0.12 -0.04 7.74 8.36 1ojiA1 PHE 30 H 0.07 0.48 0.28 -0.55 8.34 8.62 1ojiA1 PHE 30 HA -0.06 0.28 1.00 -0.75 4.62 5.08 1ojiA1 PHE 30 HB2 -0.19 -0.06 -0.03 -0.04 3.15 2.83 1ojiA1 PHE 30 HB3 -0.17 0.06 0.02 -0.04 3.06 2.93 1ojiA1 PHE 30 HD2 -0.06 0.14 -0.27 -0.04 7.28 7.05 1ojiA1 PHE 30 HE2 -0.03 0.02 -0.05 -0.04 7.38 7.27 1ojiA1 PHE 30 HZ -0.03 -0.05 -0.04 -0.04 7.32 7.16 1ojiA1 ILE 31 H 0.08 0.61 0.22 -0.55 8.25 8.61 1ojiA1 ILE 31 HA 0.07 0.25 0.99 -0.75 4.18 4.73 1ojiA1 ILE 31 HB -0.05 -0.01 0.03 -0.04 1.89 1.82 1ojiA1 ILE 31 HG12 -0.00 -0.04 -0.52 -0.04 1.49 0.88 1ojiA1 ILE 31 HG13 0.01 -0.03 -0.27 -0.04 1.21 0.88 1ojiA1 ILE 31 HG23 0.05 -0.01 -0.25 -0.04 0.93 0.68 1ojiA1 ILE 31 HD13 0.05 0.02 -0.19 -0.04 0.88 0.72 1ojiA1 VAL 32 H 0.12 0.46 0.27 -0.55 8.24 8.55 1ojiA1 VAL 32 HA 0.33 0.13 0.86 -0.75 4.13 4.69 1ojiA1 VAL 32 HB 0.17 -0.02 -0.22 -0.04 2.12 2.01 1ojiA1 VAL 32 HG13 0.35 0.02 -0.12 -0.04 0.97 1.18 1ojiA1 VAL 32 HG23 0.29 0.09 -0.20 -0.04 0.95 1.09 1ojiA1 LEU 33 H 0.27 0.14 0.08 -0.55 8.37 8.32 1ojiA1 LEU 33 HA -0.12 0.17 0.73 -0.75 4.35 4.38 1ojiA1 LEU 33 HB2 -0.55 -0.02 0.01 -0.04 1.64 1.03 1ojiA1 LEU 33 HB3 -0.33 0.10 -0.10 -0.04 1.64 1.27 1ojiA1 LEU 33 HG -0.12 -0.09 -0.07 -0.04 1.64 1.32 1ojiA1 LEU 33 HD13 -1.16 0.01 -0.02 -0.04 0.93 -0.28 1ojiA1 LEU 33 HD23 -0.16 0.07 0.03 -0.04 0.89 0.79 1ojiA1 ASP 34 H -0.18 0.35 0.28 -0.55 8.40 8.32 1ojiA1 ASP 34 HA 0.17 0.09 0.33 -0.75 4.63 4.47 1ojiA1 ASP 34 HB2 -0.13 0.07 0.13 -0.04 2.71 2.74 1ojiA1 ASP 34 HB3 -0.03 -0.03 0.12 -0.04 2.70 2.73 1ojiA1 SER 35 H 0.24 0.44 0.15 -0.55 8.46 8.74 1ojiA1 SER 35 HA -0.03 0.34 0.41 -0.75 4.49 4.46 1ojiA1 SER 35 HB2 -0.04 0.04 -0.10 -0.04 3.95 3.80 1ojiA1 SER 35 HB3 0.10 -0.02 -0.49 -0.04 3.93 3.48 1ojiA1 LEU 36 H 0.12 -0.00 -0.22 -0.55 8.37 7.72 1ojiA1 LEU 36 HA 0.05 0.19 0.26 -0.75 4.35 4.10 1ojiA1 LEU 36 HB2 0.14 -0.05 -0.02 -0.04 1.64 1.67 1ojiA1 LEU 36 HB3 0.14 0.04 0.08 -0.04 1.64 1.86 1ojiA1 LEU 36 HG 0.14 -0.11 -0.04 -0.04 1.64 1.58 1ojiA1 LEU 36 HD13 0.24 -0.01 -0.01 -0.04 0.93 1.11 1ojiA1 LEU 36 HD23 0.12 0.04 -0.15 -0.04 0.89 0.85 1ojiA1 SER 37 H 0.09 0.21 -0.52 -0.55 8.46 7.69 1ojiA1 SER 37 HA 0.03 0.09 0.77 -0.75 4.49 4.63 1ojiA1 SER 37 HB2 -0.11 0.14 -0.00 -0.04 3.95 3.94 1ojiA1 SER 37 HB3 -0.09 -0.00 0.10 -0.04 3.93 3.89 1ojiA1 HIS 38 H 0.25 0.38 -0.19 -0.55 8.41 8.30 1ojiA1 HIS 38 HA -0.18 -0.00 0.57 -0.75 4.63 4.26 1ojiA1 HIS 38 HB2 -0.02 0.17 0.08 -0.04 3.26 3.46 1ojiA1 HIS 38 HB3 -0.01 0.21 0.07 -0.04 3.20 3.43 1ojiA1 HIS 38 HD2 0.02 0.05 0.02 -0.04 6.97 7.01 1ojiA1 HIS 38 HE1 -0.00 0.23 -0.30 -0.04 7.75 7.64 1ojiA1 PRO 39 HA 0.10 0.03 0.60 -0.51 4.44 4.66 1ojiA1 PRO 39 HB2 0.14 -0.08 0.11 -0.04 2.28 2.41 1ojiA1 PRO 39 HB3 0.12 -0.02 0.07 -0.04 2.02 2.15 1ojiA1 PRO 39 HG2 0.11 0.01 0.07 -0.04 2.03 2.17 1ojiA1 PRO 39 HG3 0.14 0.02 0.07 -0.04 2.03 2.22 1ojiA1 PRO 39 HD2 0.10 0.36 0.17 -0.04 3.68 4.27 1ojiA1 PRO 39 HD3 -0.03 0.09 0.17 -0.04 3.65 3.84 1ojiA1 ILE 40 H 0.08 0.16 0.25 -0.55 8.25 8.19 1ojiA1 ILE 40 HA -0.05 0.43 1.18 -0.75 4.18 4.98 1ojiA1 ILE 40 HB 0.05 -0.15 0.08 -0.04 1.89 1.83 1ojiA1 ILE 40 HG12 0.03 0.24 -0.16 -0.04 1.49 1.56 1ojiA1 ILE 40 HG13 0.00 -0.09 -0.08 -0.04 1.21 0.99 1ojiA1 ILE 40 HG23 -0.05 0.01 -0.19 -0.04 0.93 0.65 1ojiA1 ILE 40 HD13 -0.12 0.03 -0.24 -0.04 0.88 0.51 1ojiA1 HIS 41 H -0.23 0.67 0.38 -0.55 8.41 8.68 1ojiA1 HIS 41 HA 0.03 0.21 0.91 -0.75 4.63 5.03 1ojiA1 HIS 41 HB2 0.02 -0.02 0.15 -0.04 3.26 3.37 1ojiA1 HIS 41 HB3 0.03 -0.04 -0.30 -0.04 3.20 2.85 1ojiA1 HIS 41 HD2 0.02 -0.03 -0.20 -0.04 6.97 6.72 1ojiA1 HIS 41 HE1 0.01 -0.08 -0.12 -0.04 7.75 7.51 1ojiA1 ARG 42 H 0.19 0.19 0.18 -0.55 8.46 8.47 1ojiA1 ARG 42 HA 0.03 0.30 0.81 -0.75 4.34 4.73 1ojiA1 ARG 42 HB2 0.09 0.09 -0.06 -0.04 1.90 1.98 1ojiA1 ARG 42 HB3 0.05 -0.02 0.03 -0.04 1.80 1.82 1ojiA1 ARG 42 HG2 0.06 -0.03 -0.23 -0.04 1.67 1.43 1ojiA1 ARG 42 HG3 0.08 0.14 -0.19 -0.04 1.67 1.65 1ojiA1 ARG 42 HD2 0.05 0.15 -0.34 -0.04 3.22 3.03 1ojiA1 ARG 42 HD3 0.04 -0.07 -0.11 -0.04 3.22 3.04 1ojiA1 ALA 43 H 0.03 0.51 0.26 -0.55 8.40 8.65 1ojiA1 ALA 43 HA 0.08 0.03 0.38 -0.75 4.34 4.07 1ojiA1 ALA 43 HB3 0.02 0.03 0.11 -0.04 1.41 1.52 1ojiA1 GLU 44 H 0.06 0.10 0.15 -0.55 8.60 8.36 1ojiA1 GLU 44 HA 0.04 -0.00 0.36 -0.75 4.29 3.94 1ojiA1 GLU 44 HB2 0.03 0.02 0.18 -0.04 2.09 2.28 1ojiA1 GLU 44 HB3 0.02 0.00 0.00 -0.04 1.99 1.98 1ojiA1 GLU 44 HG2 0.02 -0.03 0.05 -0.04 2.34 2.34 1ojiA1 GLU 44 HG3 0.03 0.04 0.08 -0.04 2.34 2.45 1ojiA1 GLY 45 H 0.02 0.09 0.21 -0.55 8.43 8.21 1ojiA1 GLY 45 HA2 0.02 -0.04 0.35 -0.51 4.01 3.83 1ojiA1 GLY 45 HA3 0.02 0.16 0.58 -0.51 4.01 4.26 1ojiA1 LEU 46 H 0.03 0.50 -0.12 -0.55 8.37 8.24 1ojiA1 LEU 46 HA 0.02 0.11 0.70 -0.75 4.35 4.42 1ojiA1 LEU 46 HB2 0.04 0.16 -0.01 -0.04 1.64 1.79 1ojiA1 LEU 46 HB3 0.03 -0.05 0.10 -0.04 1.64 1.67 1ojiA1 LEU 46 HG 0.03 0.09 -0.25 -0.04 1.64 1.47 1ojiA1 LEU 46 HD13 0.02 -0.02 0.05 -0.04 0.93 0.94 1ojiA1 LEU 46 HD23 0.01 -0.01 -0.14 -0.04 0.89 0.71 1ojiA1 GLY 47 H 0.03 -0.13 -0.11 -0.55 8.43 7.67 1ojiA1 GLY 47 HA2 0.02 -0.08 0.23 -0.51 4.01 3.67 1ojiA1 GLY 47 HA3 0.02 0.13 0.34 -0.51 4.01 3.99 1ojiA1 PRO 48 HA 0.03 0.12 0.65 -0.51 4.44 4.73 1ojiA1 PRO 48 HB2 0.02 0.00 0.04 -0.04 2.28 2.30 1ojiA1 PRO 48 HB3 0.01 -0.01 0.10 -0.04 2.02 2.09 1ojiA1 PRO 48 HG2 0.02 0.04 0.03 -0.04 2.03 2.08 1ojiA1 PRO 48 HG3 0.01 -0.00 0.07 -0.04 2.03 2.07 1ojiA1 PRO 48 HD2 0.02 0.15 0.24 -0.04 3.68 4.05 1ojiA1 PRO 48 HD3 0.01 0.04 0.19 -0.04 3.65 3.85 1ojiA1 GLY 49 H 0.05 0.08 0.15 -0.55 8.43 8.17 1ojiA1 GLY 49 HA2 0.04 -0.11 0.40 -0.51 4.01 3.83 1ojiA1 GLY 49 HA3 0.04 0.27 0.86 -0.51 4.01 4.67 1ojiA1 GLY 50 H 0.06 0.01 0.12 -0.55 8.43 8.07 1ojiA1 GLY 50 HA2 0.08 0.32 0.76 -0.51 4.01 4.67 1ojiA1 GLY 50 HA3 0.08 0.01 0.38 -0.51 4.01 3.98 1ojiA1 CYS 51 H 0.12 0.25 -0.03 -0.55 8.50 8.29 1ojiA1 CYS 51 HA 0.08 0.16 0.77 -0.75 4.58 4.83 1ojiA1 CYS 51 HB2 0.27 0.04 -0.04 -0.04 2.97 3.20 1ojiA1 CYS 51 HB3 0.30 -0.00 0.10 -0.04 2.97 3.32 1ojiA1 GLY 52 H 0.08 -0.02 -0.21 -0.55 8.43 7.74 1ojiA1 GLY 52 HA2 0.04 -0.04 0.26 -0.51 4.01 3.76 1ojiA1 GLY 52 HA3 0.04 0.28 0.49 -0.51 4.01 4.30 1ojiA1 ASP 53 H 0.05 0.17 0.09 -0.55 8.40 8.16 1ojiA1 ASP 53 HA 0.13 0.13 0.70 -0.75 4.63 4.84 1ojiA1 ASP 53 HB2 0.09 0.05 0.00 -0.04 2.71 2.81 1ojiA1 ASP 53 HB3 0.14 0.02 0.06 -0.04 2.70 2.89 1ojiA1 TRP 54 H 0.30 0.11 0.16 -0.55 7.97 8.00 1ojiA1 TRP 54 HA 0.03 0.01 0.50 -0.75 4.62 4.41 1ojiA1 TRP 54 HB2 0.00 0.04 0.17 -0.04 3.23 3.40 1ojiA1 TRP 54 HB3 -0.01 -0.03 0.10 -0.04 3.23 3.25 1ojiA1 TRP 54 HD1 0.01 -0.01 0.03 -0.04 7.22 7.21 1ojiA1 TRP 54 HE1 -0.10 -0.06 -0.07 -0.04 10.20 9.93 1ojiA1 TRP 54 HE3 -0.05 -0.01 -0.17 -0.04 7.59 7.31 1ojiA1 TRP 54 HZ2 -1.98 -0.05 -0.04 -0.04 7.44 5.33 1ojiA1 TRP 54 HZ3 -0.10 -0.03 -0.04 -0.04 7.13 6.92 1ojiA1 TRP 54 HH2 -0.48 -0.04 -0.02 -0.04 7.19 6.61 1ojiA1 GLY 55 H -0.78 0.47 0.35 -0.55 8.43 7.92 1ojiA1 GLY 55 HA2 -0.86 -0.03 0.42 -0.51 4.01 3.02 1ojiA1 GLY 55 HA3 -0.54 0.02 0.54 -0.51 4.01 3.52 1ojiA1 ASN 56 H -0.16 0.30 -0.15 -0.55 8.53 7.98 1ojiA1 ASN 56 HA -0.10 0.15 0.90 -0.75 4.76 4.95 1ojiA1 ASN 56 HB2 -0.03 0.03 -0.03 -0.04 2.88 2.81 1ojiA1 ASN 56 HB3 -0.04 0.07 0.02 -0.04 2.79 2.80 1ojiA1 ASN 56 HD21 0.01 -0.07 -0.15 -0.04 7.03 6.78 1ojiA1 ASN 56 HD22 0.01 0.16 -0.25 -0.04 7.74 7.62 1ojiA1 PRO 57 HA -0.11 0.15 0.58 -0.51 4.44 4.56 1ojiA1 PRO 57 HB2 -0.08 0.14 -0.08 -0.04 2.28 2.23 1ojiA1 PRO 57 HB3 -0.09 0.13 0.06 -0.04 2.02 2.08 1ojiA1 PRO 57 HG2 -0.05 -0.03 0.01 -0.04 2.03 1.91 1ojiA1 PRO 57 HG3 -0.06 0.01 -0.02 -0.04 2.03 1.92 1ojiA1 PRO 57 HD2 -0.06 0.03 0.16 -0.04 3.68 3.78 1ojiA1 PRO 57 HD3 -0.07 0.14 0.15 -0.04 3.65 3.82 1ojiA1 PRO 58 HA -0.07 0.12 0.45 -0.51 4.44 4.43 1ojiA1 PRO 58 HB2 -0.16 0.00 -0.03 -0.04 2.28 2.05 1ojiA1 PRO 58 HB3 -0.36 0.18 0.13 -0.04 2.02 1.93 1ojiA1 PRO 58 HG2 -0.19 0.05 -0.11 -0.04 2.03 1.74 1ojiA1 PRO 58 HG3 -0.43 -0.12 0.07 -0.04 2.03 1.51 1ojiA1 PRO 58 HD2 -0.15 0.18 -0.09 -0.04 3.68 3.57 1ojiA1 PRO 58 HD3 -0.24 0.15 0.27 -0.04 3.65 3.79 1ojiA1 PRO 59 HA -0.02 0.04 0.37 -0.51 4.44 4.32 1ojiA1 PRO 59 HB2 -0.00 -0.15 -0.02 -0.04 2.28 2.06 1ojiA1 PRO 59 HB3 0.00 0.01 0.06 -0.04 2.02 2.06 1ojiA1 PRO 59 HG2 0.02 0.17 0.05 -0.04 2.03 2.23 1ojiA1 PRO 59 HG3 0.01 0.01 -0.00 -0.04 2.03 2.02 1ojiA1 PRO 59 HD2 -0.00 0.16 -0.01 -0.04 3.68 3.79 1ojiA1 PRO 59 HD3 0.00 0.13 -0.26 -0.04 3.65 3.48 1ojiA1 LYS 60 H -0.02 0.12 0.12 -0.55 8.42 8.09 1ojiA1 LYS 60 HA -0.04 0.29 0.14 -0.75 4.32 3.96 1ojiA1 LYS 60 HB2 -0.02 -0.06 0.09 -0.04 1.87 1.84 1ojiA1 LYS 60 HB3 -0.02 -0.01 -0.01 -0.04 1.79 1.71 1ojiA1 LYS 60 HG2 -0.04 0.11 0.02 -0.04 1.46 1.51 1ojiA1 LYS 60 HG3 -0.03 0.05 0.03 -0.04 1.46 1.46 1ojiA1 LYS 60 HD2 -0.02 -0.05 0.01 -0.04 1.69 1.58 1ojiA1 LYS 60 HD3 -0.03 0.01 0.02 -0.04 1.68 1.64 1ojiA1 LYS 60 HE2 -0.03 0.08 0.01 -0.04 2.99 3.01 1ojiA1 LYS 60 HE3 -0.02 -0.05 0.01 -0.04 2.99 2.89 1ojiA1 ASP 61 H -0.01 0.03 -0.20 -0.55 8.40 7.66 1ojiA1 ASP 61 HA -0.01 0.10 0.46 -0.75 4.63 4.42 1ojiA1 ASP 61 HB2 -0.00 0.06 0.01 -0.04 2.71 2.74 1ojiA1 ASP 61 HB3 -0.00 -0.04 0.05 -0.04 2.70 2.67 1ojiA1 VAL 62 H -0.00 0.06 -0.25 -0.55 8.24 7.50 1ojiA1 VAL 62 HA -0.00 0.21 0.86 -0.75 4.13 4.45 1ojiA1 VAL 62 HB 0.02 0.02 -0.10 -0.04 2.12 2.02 1ojiA1 VAL 62 HG13 0.02 0.00 -0.06 -0.04 0.97 0.90 1ojiA1 VAL 62 HG23 0.02 0.01 -0.07 -0.04 0.95 0.86 1ojiA1 CYS 63 H -0.03 0.39 -0.28 -0.55 8.50 8.03 1ojiA1 CYS 63 HA -0.05 0.06 0.78 -0.75 4.58 4.62 1ojiA1 CYS 63 HB2 -0.08 0.21 -0.10 -0.04 2.97 2.95 1ojiA1 CYS 63 HB3 -0.12 -0.11 0.02 -0.04 2.97 2.72 1ojiA1 PRO 64 HA -0.04 0.10 0.60 -0.51 4.44 4.59 1ojiA1 PRO 64 HB2 -0.03 -0.08 0.01 -0.04 2.28 2.14 1ojiA1 PRO 64 HB3 -0.03 0.14 0.11 -0.04 2.02 2.19 1ojiA1 PRO 64 HG2 -0.04 -0.14 -0.00 -0.04 2.03 1.81 1ojiA1 PRO 64 HG3 -0.03 0.08 -0.01 -0.04 2.03 2.02 1ojiA1 PRO 64 HD2 -0.04 0.13 -0.23 -0.04 3.68 3.50 1ojiA1 PRO 64 HD3 -0.03 0.26 -0.52 -0.04 3.65 3.32 1ojiA1 ASP 65 H -0.07 0.20 -0.10 -0.55 8.40 7.89 1ojiA1 ASP 65 HA -0.08 0.18 0.43 -0.75 4.63 4.41 1ojiA1 ASP 65 HB2 -0.08 -0.12 0.17 -0.04 2.71 2.63 1ojiA1 ASP 65 HB3 -0.06 0.22 -0.08 -0.04 2.70 2.74 1ojiA1 VAL 66 H -0.12 0.18 0.16 -0.55 8.24 7.91 1ojiA1 VAL 66 HA -0.12 0.14 0.39 -0.75 4.13 3.79 1ojiA1 VAL 66 HB -0.16 -0.06 0.19 -0.04 2.12 2.05 1ojiA1 VAL 66 HG13 -0.18 0.01 -0.11 -0.04 0.97 0.66 1ojiA1 VAL 66 HG23 -0.07 0.04 0.09 -0.04 0.95 0.97 1ojiA1 GLU 67 H -0.29 0.06 -0.03 -0.55 8.60 7.80 1ojiA1 GLU 67 HA -0.75 0.13 0.44 -0.75 4.29 3.36 1ojiA1 GLU 67 HB2 -0.41 0.00 0.10 -0.04 2.09 1.74 1ojiA1 GLU 67 HB3 -0.19 -0.07 0.06 -0.04 1.99 1.75 1ojiA1 GLU 67 HG2 -0.08 0.04 -0.26 -0.04 2.34 1.99 1ojiA1 GLU 67 HG3 -0.10 0.05 -0.00 -0.04 2.34 2.25 1ojiA1 SER 68 H -0.12 0.00 -0.29 -0.55 8.46 7.51 1ojiA1 SER 68 HA -0.04 0.09 0.52 -0.75 4.49 4.30 1ojiA1 SER 68 HB2 -0.06 -0.10 0.13 -0.04 3.95 3.88 1ojiA1 SER 68 HB3 -0.03 0.22 0.03 -0.04 3.93 4.10 1ojiA1 CYS 69 H -0.07 0.43 0.01 -0.55 8.50 8.33 1ojiA1 CYS 69 HA 0.02 0.13 0.48 -0.75 4.58 4.45 1ojiA1 CYS 69 HB2 -0.08 0.05 0.18 -0.04 2.97 3.08 1ojiA1 CYS 69 HB3 -0.03 0.00 0.20 -0.04 2.97 3.10 1ojiA1 ALA 70 H -0.05 0.24 -0.28 -0.55 8.40 7.76 1ojiA1 ALA 70 HA 0.08 0.17 0.40 -0.75 4.34 4.24 1ojiA1 ALA 70 HB3 0.06 0.01 0.20 -0.04 1.41 1.63 1ojiA1 LYS 71 H 0.00 0.16 -0.38 -0.55 8.42 7.65 1ojiA1 LYS 71 HA 0.02 0.10 0.73 -0.75 4.32 4.42 1ojiA1 LYS 71 HB2 0.00 0.12 0.24 -0.04 1.87 2.19 1ojiA1 LYS 71 HB3 0.01 -0.02 -0.02 -0.04 1.79 1.71 1ojiA1 LYS 71 HG2 0.02 -0.01 0.07 -0.04 1.46 1.50 1ojiA1 LYS 71 HG3 0.04 -0.02 0.02 -0.04 1.46 1.46 1ojiA1 LYS 71 HD2 0.01 0.01 0.00 -0.04 1.69 1.67 1ojiA1 LYS 71 HD3 0.02 -0.06 0.01 -0.04 1.68 1.60 1ojiA1 LYS 71 HE2 -0.01 0.10 -0.03 -0.04 2.99 3.01 1ojiA1 LYS 71 HE3 0.00 -0.07 -0.03 -0.04 2.99 2.86 1ojiA1 ASN 72 H 0.01 0.49 0.11 -0.55 8.53 8.60 1ojiA1 ASN 72 HA 0.01 -0.02 0.53 -0.75 4.76 4.53 1ojiA1 ASN 72 HB2 0.02 0.16 0.13 -0.04 2.88 3.15 1ojiA1 ASN 72 HB3 0.02 -0.14 0.12 -0.04 2.79 2.75 1ojiA1 ASN 72 HD21 -0.01 -0.17 0.07 -0.04 7.03 6.88 1ojiA1 ASN 72 HD22 -0.00 0.47 0.17 -0.04 7.74 8.33 1ojiA1 CYS 73 H 0.03 0.46 -0.10 -0.55 8.50 8.35 1ojiA1 CYS 73 HA -0.02 0.14 0.92 -0.75 4.58 4.86 1ojiA1 CYS 73 HB2 0.17 0.18 0.10 -0.04 2.97 3.37 1ojiA1 CYS 73 HB3 0.08 -0.05 -0.13 -0.04 2.97 2.82 1ojiA1 ILE 74 H -0.23 0.73 0.34 -0.55 8.25 8.55 1ojiA1 ILE 74 HA -0.18 0.42 0.62 -0.75 4.18 4.29 1ojiA1 ILE 74 HB -0.88 -0.09 -0.08 -0.04 1.89 0.80 1ojiA1 ILE 74 HG12 -0.15 -0.01 -0.43 -0.04 1.49 0.86 1ojiA1 ILE 74 HG13 -0.07 -0.16 -0.21 -0.04 1.21 0.74 1ojiA1 ILE 74 HG23 -0.13 -0.01 -0.29 -0.04 0.93 0.45 1ojiA1 ILE 74 HD13 -0.06 0.06 -0.42 -0.04 0.88 0.42 1ojiA1 MET 75 H -0.20 1.01 0.26 -0.55 8.47 8.99 1ojiA1 MET 75 HA -0.12 0.24 0.96 -0.75 4.52 4.85 1ojiA1 MET 75 HB2 -0.26 -0.01 -0.15 -0.04 2.15 1.69 1ojiA1 MET 75 HB3 -0.30 -0.04 -0.05 -0.04 2.03 1.60 1ojiA1 MET 75 HG2 -0.12 -0.04 -0.32 -0.04 2.63 2.11 1ojiA1 MET 75 HG3 -0.09 0.11 -0.12 -0.04 2.56 2.42 1ojiA1 MET 75 HE3 -0.43 -0.02 -0.11 -0.04 2.10 1.50 1ojiA1 GLU 76 H 0.06 0.83 0.26 -0.55 8.60 9.20 1ojiA1 GLU 76 HA 0.10 -0.07 0.84 -0.75 4.29 4.40 1ojiA1 GLU 76 HB2 0.13 0.05 0.15 -0.04 2.09 2.38 1ojiA1 GLU 76 HB3 0.12 0.07 0.03 -0.04 1.99 2.17 1ojiA1 GLU 76 HG2 0.20 0.10 -0.12 -0.04 2.34 2.48 1ojiA1 GLU 76 HG3 0.20 -0.04 -0.02 -0.04 2.34 2.44 1ojiA1 GLY 77 H 0.21 0.17 0.09 -0.55 8.43 8.36 1ojiA1 GLY 77 HA2 0.27 0.01 0.37 -0.51 4.01 4.16 1ojiA1 GLY 77 HA3 0.15 0.13 -0.16 -0.51 4.01 3.62 1ojiA1 ILE 78 H 0.01 0.12 0.11 -0.55 8.25 7.94 1ojiA1 ILE 78 HA -0.03 0.16 0.76 -0.75 4.18 4.32 1ojiA1 ILE 78 HB -0.43 -0.03 0.17 -0.04 1.89 1.56 1ojiA1 ILE 78 HG12 -0.42 0.02 0.01 -0.04 1.49 1.06 1ojiA1 ILE 78 HG13 -0.39 0.12 -0.14 -0.04 1.21 0.75 1ojiA1 ILE 78 HG23 -0.38 -0.03 -0.22 -0.04 0.93 0.26 1ojiA1 ILE 78 HD13 -1.48 0.01 -0.06 -0.04 0.88 -0.68 1ojiA1 PRO 79 HA 0.03 0.09 0.65 -0.51 4.44 4.70 1ojiA1 PRO 79 HB2 0.03 -0.03 0.05 -0.04 2.28 2.28 1ojiA1 PRO 79 HB3 0.03 0.06 0.03 -0.04 2.02 2.10 1ojiA1 PRO 79 HG2 0.04 -0.01 0.03 -0.04 2.03 2.04 1ojiA1 PRO 79 HG3 0.04 0.00 0.03 -0.04 2.03 2.06 1ojiA1 PRO 79 HD2 0.05 0.06 0.21 -0.04 3.68 3.95 1ojiA1 PRO 79 HD3 0.04 0.34 -0.03 -0.04 3.65 3.95 1ojiA1 ASP 80 H 0.07 0.16 -0.21 -0.55 8.40 7.88 1ojiA1 ASP 80 HA 0.10 0.17 0.85 -0.75 4.63 4.99 1ojiA1 ASP 80 HB2 0.04 0.06 -0.12 -0.04 2.71 2.65 1ojiA1 ASP 80 HB3 0.06 0.01 0.17 -0.04 2.70 2.90 1ojiA1 TYR 81 H 0.29 0.31 0.11 -0.55 8.29 8.45 1ojiA1 TYR 81 HA 0.04 0.10 0.33 -0.75 4.56 4.28 1ojiA1 TYR 81 HB2 -0.01 0.01 0.16 -0.04 3.06 3.18 1ojiA1 TYR 81 HB3 -0.00 0.08 0.01 -0.04 2.98 3.02 1ojiA1 TYR 81 HD2 -0.08 -0.05 -0.06 -0.04 7.15 6.92 1ojiA1 TYR 81 HE2 -0.18 -0.05 -0.06 -0.04 6.85 6.53 1ojiA1 SER 82 H 0.12 0.05 -0.21 -0.55 8.46 7.87 1ojiA1 SER 82 HA 0.07 0.16 0.34 -0.75 4.49 4.30 1ojiA1 SER 82 HB2 0.02 0.01 0.06 -0.04 3.95 4.00 1ojiA1 SER 82 HB3 0.05 -0.01 0.11 -0.04 3.93 4.04 1ojiA1 GLN 83 H 0.08 0.39 -0.47 -0.55 8.47 7.93 1ojiA1 GLN 83 HA -0.09 0.02 0.38 -0.75 4.36 3.92 1ojiA1 GLN 83 HB2 -0.07 0.12 0.07 -0.04 2.15 2.23 1ojiA1 GLN 83 HB3 -0.25 -0.02 0.12 -0.04 2.02 1.83 1ojiA1 GLN 83 HG2 0.01 -0.03 0.05 -0.04 2.40 2.39 1ojiA1 GLN 83 HG3 -0.02 -0.01 0.06 -0.04 2.39 2.38 1ojiA1 GLN 83 HE21 -0.03 -0.01 -0.04 -0.04 6.97 6.84 1ojiA1 GLN 83 HE22 -0.01 -0.04 -0.06 -0.04 7.69 7.53 1ojiA1 TYR 84 H 0.15 0.58 -0.34 -0.55 8.29 8.14 1ojiA1 TYR 84 HA -0.10 0.19 0.85 -0.75 4.56 4.75 1ojiA1 TYR 84 HB2 -0.21 0.03 0.13 -0.04 3.06 2.97 1ojiA1 TYR 84 HB3 -0.16 0.01 0.16 -0.04 2.98 2.95 1ojiA1 TYR 84 HD2 -0.18 -0.01 -0.01 -0.04 7.15 6.91 1ojiA1 TYR 84 HE2 -0.14 0.05 0.00 -0.04 6.85 6.71 1ojiA1 GLY 85 H -0.00 0.35 -0.31 -0.55 8.43 7.92 1ojiA1 GLY 85 HA2 -0.00 0.00 0.28 -0.51 4.01 3.78 1ojiA1 GLY 85 HA3 -0.00 0.24 0.55 -0.51 4.01 4.29 1ojiA1 VAL 86 H 0.09 0.26 -0.16 -0.55 8.24 7.89 1ojiA1 VAL 86 HA 0.07 0.36 1.01 -0.75 4.13 4.82 1ojiA1 VAL 86 HB 0.25 -0.05 -0.02 -0.04 2.12 2.26 1ojiA1 VAL 86 HG13 0.15 -0.02 -0.24 -0.04 0.97 0.82 1ojiA1 VAL 86 HG23 0.08 0.04 -0.25 -0.04 0.95 0.78 1ojiA1 THR 87 H 0.05 0.60 0.28 -0.55 8.28 8.66 1ojiA1 THR 87 HA 0.04 0.06 0.62 -0.75 4.39 4.36 1ojiA1 THR 87 HB 0.02 0.04 0.01 -0.04 4.32 4.35 1ojiA1 THR 87 HG23 0.03 -0.02 -0.23 -0.04 1.22 0.96 1ojiA1 THR 88 H 0.00 0.18 0.22 -0.55 8.28 8.14 1ojiA1 THR 88 HA 0.01 0.28 1.03 -0.75 4.39 4.96 1ojiA1 THR 88 HB -0.02 0.08 0.11 -0.04 4.32 4.45 1ojiA1 THR 88 HG23 -0.00 -0.03 -0.24 -0.04 1.22 0.91 1ojiA1 ASN 89 H 0.01 0.55 0.12 -0.55 8.53 8.66 1ojiA1 ASN 89 HA -0.00 0.12 0.68 -0.75 4.76 4.80 1ojiA1 ASN 89 HB2 0.00 0.06 -0.08 -0.04 2.88 2.82 1ojiA1 ASN 89 HB3 0.01 -0.04 0.14 -0.04 2.79 2.85 1ojiA1 ASN 89 HD21 0.00 -0.01 -0.02 -0.04 7.03 6.97 1ojiA1 ASN 89 HD22 0.00 0.01 -0.02 -0.04 7.74 7.69 1ojiA1 GLY 90 H -0.02 0.20 0.06 -0.55 8.43 8.13 1ojiA1 GLY 90 HA2 -0.03 0.06 0.39 -0.51 4.01 3.92 1ojiA1 GLY 90 HA3 -0.00 0.03 0.51 -0.51 4.01 4.04 1ojiA1 THR 91 H 0.03 0.18 0.33 -0.55 8.28 8.28 1ojiA1 THR 91 HA -0.00 0.29 0.86 -0.75 4.39 4.78 1ojiA1 THR 91 HB 0.18 -0.09 0.35 -0.04 4.32 4.72 1ojiA1 THR 91 HG23 0.15 0.01 0.01 -0.04 1.22 1.35 1ojiA1 SER 92 H 0.02 0.37 -0.28 -0.55 8.46 8.03 1ojiA1 SER 92 HA 0.06 0.25 1.05 -0.75 4.49 5.09 1ojiA1 SER 92 HB2 0.02 0.19 0.20 -0.04 3.95 4.33 1ojiA1 SER 92 HB3 0.02 0.01 -0.06 -0.04 3.93 3.86 1ojiA1 LEU 93 H 0.08 0.87 0.37 -0.55 8.37 9.14 1ojiA1 LEU 93 HA 0.04 0.20 0.97 -0.75 4.35 4.81 1ojiA1 LEU 93 HB2 0.07 -0.01 -0.09 -0.04 1.64 1.57 1ojiA1 LEU 93 HB3 0.15 -0.02 0.12 -0.04 1.64 1.84 1ojiA1 LEU 93 HG 0.10 0.02 -0.49 -0.04 1.64 1.23 1ojiA1 LEU 93 HD13 0.06 0.03 -0.16 -0.04 0.93 0.81 1ojiA1 LEU 93 HD23 0.15 -0.01 -0.17 -0.04 0.89 0.82 1ojiA1 ARG 94 H 0.03 0.72 0.31 -0.55 8.46 8.96 1ojiA1 ARG 94 HA -0.02 0.22 1.05 -0.75 4.34 4.84 1ojiA1 ARG 94 HB2 0.00 -0.09 -0.06 -0.04 1.90 1.71 1ojiA1 ARG 94 HB3 0.01 -0.03 0.09 -0.04 1.80 1.83 1ojiA1 ARG 94 HG2 -0.00 0.08 -0.32 -0.04 1.67 1.39 1ojiA1 ARG 94 HG3 -0.01 -0.02 -0.13 -0.04 1.67 1.47 1ojiA1 ARG 94 HD2 -0.00 -0.05 -0.12 -0.04 3.22 3.00 1ojiA1 ARG 94 HD3 -0.00 -0.02 -0.15 -0.04 3.22 3.01 1ojiA1 LEU 95 H -0.03 0.70 0.37 -0.55 8.37 8.86 1ojiA1 LEU 95 HA 0.04 0.36 1.06 -0.75 4.35 5.07 1ojiA1 LEU 95 HB2 0.03 -0.10 0.10 -0.04 1.64 1.63 1ojiA1 LEU 95 HB3 0.07 0.10 -0.05 -0.04 1.64 1.72 1ojiA1 LEU 95 HG 0.08 -0.08 -0.29 -0.04 1.64 1.32 1ojiA1 LEU 95 HD13 0.19 0.02 -0.29 -0.04 0.93 0.81 1ojiA1 LEU 95 HD23 0.08 0.04 -0.19 -0.04 0.89 0.77 1ojiA1 GLN 96 H 0.02 0.77 0.32 -0.55 8.47 9.03 1ojiA1 GLN 96 HA 0.04 0.09 1.00 -0.75 4.36 4.74 1ojiA1 GLN 96 HB2 -0.00 -0.06 0.10 -0.04 2.15 2.14 1ojiA1 GLN 96 HB3 0.01 0.15 -0.00 -0.04 2.02 2.14 1ojiA1 GLN 96 HG2 0.00 -0.00 -0.09 -0.04 2.40 2.27 1ojiA1 GLN 96 HG3 0.01 -0.00 -0.20 -0.04 2.39 2.16 1ojiA1 GLN 96 HE21 -0.08 -0.08 -0.00 -0.04 6.97 6.77 1ojiA1 GLN 96 HE22 -0.05 0.11 -0.00 -0.04 7.69 7.71 1ojiA1 HIS 97 H 0.10 0.64 0.26 -0.55 8.41 8.86 1ojiA1 HIS 97 HA -0.11 0.04 0.55 -0.75 4.63 4.35 1ojiA1 HIS 97 HB2 -0.11 -0.06 -0.04 -0.04 3.26 3.02 1ojiA1 HIS 97 HB3 -0.16 0.08 0.07 -0.04 3.20 3.15 1ojiA1 HIS 97 HD2 -0.71 0.06 -0.14 -0.04 6.97 6.14 1ojiA1 HIS 97 HE1 -0.72 -0.07 0.01 -0.04 7.75 6.92 1ojiA1 ILE 98 H 0.04 0.25 0.06 -0.55 8.25 8.05 1ojiA1 ILE 98 HA -0.14 0.29 0.95 -0.75 4.18 4.52 1ojiA1 ILE 98 HB 0.13 0.01 0.15 -0.04 1.89 2.14 1ojiA1 ILE 98 HG12 -0.31 0.02 -0.09 -0.04 1.49 1.07 1ojiA1 ILE 98 HG13 -0.18 -0.18 -0.33 -0.04 1.21 0.47 1ojiA1 ILE 98 HG23 0.10 0.05 -0.13 -0.04 0.93 0.91 1ojiA1 ILE 98 HD13 0.03 0.01 -0.02 -0.04 0.88 0.86 1ojiA1 LEU 99 H -0.01 0.66 0.18 -0.55 8.37 8.64 1ojiA1 LEU 99 HA -0.05 0.20 0.85 -0.75 4.35 4.60 1ojiA1 LEU 99 HB2 -0.04 -0.16 0.08 -0.04 1.64 1.47 1ojiA1 LEU 99 HB3 -0.07 -0.05 0.11 -0.04 1.64 1.59 1ojiA1 LEU 99 HG -0.08 0.11 -0.13 -0.04 1.64 1.51 1ojiA1 LEU 99 HD13 -0.11 -0.01 -0.05 -0.04 0.93 0.72 1ojiA1 LEU 99 HD23 -0.05 0.01 -0.12 -0.04 0.89 0.68 1ojiA1 PRO 100 HA -0.34 0.12 0.36 -0.51 4.44 4.07 1ojiA1 PRO 100 HB2 -0.13 -0.02 0.07 -0.04 2.28 2.16 1ojiA1 PRO 100 HB3 -0.24 0.03 0.08 -0.04 2.02 1.85 1ojiA1 PRO 100 HG2 -0.23 0.02 0.08 -0.04 2.03 1.87 1ojiA1 PRO 100 HG3 -0.58 0.08 0.08 -0.04 2.03 1.56 1ojiA1 PRO 100 HD2 -0.14 0.07 0.21 -0.04 3.68 3.78 1ojiA1 PRO 100 HD3 -0.25 0.24 0.21 -0.04 3.65 3.81 1ojiA1 ASP 101 H -0.03 0.06 -0.29 -0.55 8.40 7.59 1ojiA1 ASP 101 HA 0.02 0.12 0.42 -0.75 4.63 4.43 1ojiA1 ASP 101 HB2 -0.01 0.02 0.12 -0.04 2.71 2.79 1ojiA1 ASP 101 HB3 -0.03 0.00 0.07 -0.04 2.70 2.70 1ojiA1 GLY 102 H 0.09 0.71 -0.38 -0.55 8.43 8.30 1ojiA1 GLY 102 HA2 0.09 0.07 0.26 -0.51 4.01 3.92 1ojiA1 GLY 102 HA3 0.04 0.10 0.64 -0.51 4.01 4.28 1ojiA1 ARG 103 H -0.02 -0.03 -0.22 -0.55 8.46 7.64 1ojiA1 ARG 103 HA -0.04 0.06 0.46 -0.75 4.34 4.06 1ojiA1 ARG 103 HB2 -0.08 -0.09 0.09 -0.04 1.90 1.78 1ojiA1 ARG 103 HB3 -0.11 0.10 -0.03 -0.04 1.80 1.71 1ojiA1 ARG 103 HG2 -0.07 0.02 0.01 -0.04 1.67 1.59 1ojiA1 ARG 103 HG3 -0.05 -0.02 -0.05 -0.04 1.67 1.50 1ojiA1 ARG 103 HD2 -0.16 0.10 0.02 -0.04 3.22 3.14 1ojiA1 ARG 103 HD3 -0.09 -0.02 0.00 -0.04 3.22 3.07 1ojiA1 VAL 104 H -0.09 0.11 0.13 -0.55 8.24 7.84 1ojiA1 VAL 104 HA -0.31 0.32 1.05 -0.75 4.13 4.44 1ojiA1 VAL 104 HB -0.13 -0.07 0.25 -0.04 2.12 2.13 1ojiA1 VAL 104 HG13 -0.83 -0.01 -0.00 -0.04 0.97 0.09 1ojiA1 VAL 104 HG23 -0.05 0.02 -0.03 -0.04 0.95 0.86 1ojiA1 PRO 105 HA -0.09 0.02 0.40 -0.51 4.44 4.26 1ojiA1 PRO 105 HB2 -0.02 0.18 -0.07 -0.04 2.28 2.34 1ojiA1 PRO 105 HB3 -0.13 -0.04 0.04 -0.04 2.02 1.85 1ojiA1 PRO 105 HG2 -0.09 0.25 -0.09 -0.04 2.03 2.06 1ojiA1 PRO 105 HG3 -0.09 -0.11 -0.38 -0.04 2.03 1.40 1ojiA1 PRO 105 HD2 -0.19 0.33 0.05 -0.04 3.68 3.82 1ojiA1 PRO 105 HD3 -0.14 -0.06 -0.39 -0.04 3.65 3.02 1ojiA1 SER 106 H -0.29 0.34 -0.02 -0.55 8.46 7.95 1ojiA1 SER 106 HA 0.10 0.00 0.43 -0.75 4.49 4.27 1ojiA1 SER 106 HB2 -0.34 -0.06 -0.02 -0.04 3.95 3.49 1ojiA1 SER 106 HB3 -0.08 0.05 -0.18 -0.04 3.93 3.69 1ojiA1 PRO 107 HA -0.01 0.07 0.49 -0.51 4.44 4.47 1ojiA1 PRO 107 HB2 0.02 -0.10 -0.14 -0.04 2.28 2.02 1ojiA1 PRO 107 HB3 0.03 0.20 0.04 -0.04 2.02 2.24 1ojiA1 PRO 107 HG2 0.07 -0.15 0.02 -0.04 2.03 1.92 1ojiA1 PRO 107 HG3 0.04 0.10 -0.00 -0.04 2.03 2.13 1ojiA1 PRO 107 HD2 0.05 -0.02 0.08 -0.04 3.68 3.75 1ojiA1 PRO 107 HD3 -0.01 0.20 -0.05 -0.04 3.65 3.74 1ojiA1 ARG 108 H -0.08 0.19 0.30 -0.55 8.46 8.32 1ojiA1 ARG 108 HA -0.03 0.29 0.86 -0.75 4.34 4.71 1ojiA1 ARG 108 HB2 -0.08 0.04 0.06 -0.04 1.90 1.87 1ojiA1 ARG 108 HB3 -0.18 -0.07 0.17 -0.04 1.80 1.68 1ojiA1 ARG 108 HG2 -0.30 -0.01 -0.30 -0.04 1.67 1.02 1ojiA1 ARG 108 HG3 -0.05 0.04 -0.09 -0.04 1.67 1.52 1ojiA1 ARG 108 HD2 -0.03 -0.05 -0.15 -0.04 3.22 2.95 1ojiA1 ARG 108 HD3 -0.15 0.01 -0.09 -0.04 3.22 2.95 1ojiA1 VAL 109 H -0.12 0.72 0.34 -0.55 8.24 8.63 1ojiA1 VAL 109 HA -0.43 0.30 1.13 -0.75 4.13 4.38 1ojiA1 VAL 109 HB -0.02 0.01 -0.02 -0.04 2.12 2.05 1ojiA1 VAL 109 HG13 0.02 -0.03 -0.38 -0.04 0.97 0.54 1ojiA1 VAL 109 HG23 0.02 0.01 -0.13 -0.04 0.95 0.80 1ojiA1 TYR 110 H -0.16 0.59 0.36 -0.55 8.29 8.53 1ojiA1 TYR 110 HA -0.07 0.36 1.10 -0.75 4.56 5.20 1ojiA1 TYR 110 HB2 0.20 -0.02 -0.09 -0.04 3.06 3.12 1ojiA1 TYR 110 HB3 -0.20 -0.02 0.04 -0.04 2.98 2.77 1ojiA1 TYR 110 HD2 0.06 0.06 -0.17 -0.04 7.15 7.05 1ojiA1 TYR 110 HE2 0.03 0.06 -0.15 -0.04 6.85 6.76 1ojiA1 LEU 111 H 0.09 0.39 0.31 -0.55 8.37 8.61 1ojiA1 LEU 111 HA 0.11 0.26 0.92 -0.75 4.35 4.89 1ojiA1 LEU 111 HB2 0.04 0.00 0.07 -0.04 1.64 1.71 1ojiA1 LEU 111 HB3 0.03 -0.09 0.21 -0.04 1.64 1.76 1ojiA1 LEU 111 HG 0.12 0.09 -0.13 -0.04 1.64 1.68 1ojiA1 LEU 111 HD13 0.08 0.04 -0.07 -0.04 0.93 0.94 1ojiA1 LEU 111 HD23 0.23 -0.02 -0.08 -0.04 0.89 0.98 1ojiA1 LEU 112 H 0.12 0.77 0.33 -0.55 8.37 9.05 1ojiA1 LEU 112 HA 0.14 0.04 0.84 -0.75 4.35 4.61 1ojiA1 LEU 112 HB2 0.05 -0.04 -0.03 -0.04 1.64 1.58 1ojiA1 LEU 112 HB3 -0.02 -0.04 -0.06 -0.04 1.64 1.48 1ojiA1 LEU 112 HG 0.07 -0.03 -0.27 -0.04 1.64 1.37 1ojiA1 LEU 112 HD13 -0.46 0.02 -0.20 -0.04 0.93 0.25 1ojiA1 LEU 112 HD23 -0.19 0.04 -0.49 -0.04 0.89 0.20 1ojiA1 ASP 113 H 0.06 0.73 0.23 -0.55 8.40 8.87 1ojiA1 ASP 113 HA 0.10 0.16 0.59 -0.75 4.63 4.74 1ojiA1 ASP 113 HB2 0.08 -0.02 0.18 -0.04 2.71 2.90 1ojiA1 ASP 113 HB3 0.07 0.10 -0.11 -0.04 2.70 2.73 1ojiA1 LYS 114 H 0.08 0.15 0.20 -0.55 8.42 8.31 1ojiA1 LYS 114 HA 0.31 0.14 0.24 -0.75 4.32 4.26 1ojiA1 LYS 114 HB2 0.12 -0.01 0.13 -0.04 1.87 2.08 1ojiA1 LYS 114 HB3 0.05 0.23 0.22 -0.04 1.79 2.25 1ojiA1 LYS 114 HG2 0.05 -0.09 0.10 -0.04 1.46 1.48 1ojiA1 LYS 114 HG3 0.06 0.01 -0.17 -0.04 1.46 1.32 1ojiA1 LYS 114 HD2 0.03 0.00 0.03 -0.04 1.69 1.71 1ojiA1 LYS 114 HD3 0.01 0.02 0.09 -0.04 1.68 1.76 1ojiA1 LYS 114 HE2 0.02 0.00 0.04 -0.04 2.99 3.01 1ojiA1 LYS 114 HE3 0.03 -0.02 -0.00 -0.04 2.99 2.95 1ojiA1 THR 115 H 0.06 -0.02 -0.48 -0.55 8.28 7.30 1ojiA1 THR 115 HA 0.01 0.22 0.61 -0.75 4.39 4.48 1ojiA1 THR 115 HB -0.00 0.07 0.10 -0.04 4.32 4.44 1ojiA1 THR 115 HG23 0.02 0.00 -0.04 -0.04 1.22 1.17 1ojiA1 LYS 116 H 0.00 0.34 -0.29 -0.55 8.42 7.91 1ojiA1 LYS 116 HA -0.16 0.09 0.19 -0.75 4.32 3.68 1ojiA1 LYS 116 HB2 -0.03 0.18 0.14 -0.04 1.87 2.11 1ojiA1 LYS 116 HB3 -0.37 0.01 0.11 -0.04 1.79 1.50 1ojiA1 LYS 116 HG2 -1.02 -0.00 -0.11 -0.04 1.46 0.28 1ojiA1 LYS 116 HG3 -0.59 0.02 -0.46 -0.04 1.46 0.39 1ojiA1 LYS 116 HD2 -0.21 0.02 -0.08 -0.04 1.69 1.39 1ojiA1 LYS 116 HD3 -0.26 -0.00 -0.02 -0.04 1.68 1.36 1ojiA1 LYS 116 HE2 -1.92 0.01 -0.07 -0.04 2.99 0.98 1ojiA1 LYS 116 HE3 -0.61 -0.01 -0.05 -0.04 2.99 2.28 1ojiA1 ARG 117 H -0.02 -0.05 -0.64 -0.55 8.46 7.20 1ojiA1 ARG 117 HA 0.03 0.25 0.95 -0.75 4.34 4.82 1ojiA1 ARG 117 HB2 -0.02 -0.04 -0.02 -0.04 1.90 1.78 1ojiA1 ARG 117 HB3 -0.02 -0.02 0.10 -0.04 1.80 1.83 1ojiA1 ARG 117 HG2 0.03 0.09 -0.18 -0.04 1.67 1.57 1ojiA1 ARG 117 HG3 -0.04 0.07 -0.06 -0.04 1.67 1.60 1ojiA1 ARG 117 HD2 -0.12 0.01 0.00 -0.04 3.22 3.07 1ojiA1 ARG 117 HD3 -0.05 -0.05 0.02 -0.04 3.22 3.10 1ojiA1 ARG 118 H -0.05 0.03 -0.05 -0.55 8.46 7.84 1ojiA1 ARG 118 HA -0.14 0.28 0.95 -0.75 4.34 4.68 1ojiA1 ARG 118 HB2 -0.01 -0.16 -0.07 -0.04 1.90 1.62 1ojiA1 ARG 118 HB3 0.00 0.05 -0.07 -0.04 1.80 1.74 1ojiA1 ARG 118 HG2 -0.01 0.11 -0.01 -0.04 1.67 1.72 1ojiA1 ARG 118 HG3 -0.01 0.00 -0.10 -0.04 1.67 1.52 1ojiA1 ARG 118 HD2 0.00 0.00 -0.05 -0.04 3.22 3.13 1ojiA1 ARG 118 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.17 1ojiA1 TYR 119 H -0.15 0.46 0.23 -0.55 8.29 8.28 1ojiA1 TYR 119 HA 0.02 0.09 0.74 -0.75 4.56 4.65 1ojiA1 TYR 119 HB2 -0.05 -0.04 -0.00 -0.04 3.06 2.93 1ojiA1 TYR 119 HB3 -0.04 0.12 0.08 -0.04 2.98 3.10 1ojiA1 TYR 119 HD2 0.02 0.06 -0.16 -0.04 7.15 7.04 1ojiA1 TYR 119 HE2 0.13 0.03 -0.11 -0.04 6.85 6.86 1ojiA1 GLU 120 H 0.15 0.53 0.22 -0.55 8.60 8.95 1ojiA1 GLU 120 HA 0.09 -0.02 0.60 -0.75 4.29 4.21 1ojiA1 GLU 120 HB2 0.14 0.00 -0.23 -0.04 2.09 1.95 1ojiA1 GLU 120 HB3 0.08 0.02 0.03 -0.04 1.99 2.08 1ojiA1 GLU 120 HG2 0.40 -0.00 -0.12 -0.04 2.34 2.57 1ojiA1 GLU 120 HG3 0.18 0.04 -0.29 -0.04 2.34 2.23 1ojiA1 MET 121 H 0.02 0.13 0.13 -0.55 8.47 8.21 1ojiA1 MET 121 HA -0.17 0.28 0.67 -0.75 4.52 4.54 1ojiA1 MET 121 HB2 -0.03 -0.05 0.14 -0.04 2.15 2.17 1ojiA1 MET 121 HB3 -0.22 0.05 -0.01 -0.04 2.03 1.81 1ojiA1 MET 121 HG2 0.01 0.13 -0.03 -0.04 2.63 2.71 1ojiA1 MET 121 HG3 -0.02 -0.03 -0.01 -0.04 2.56 2.46 1ojiA1 MET 121 HE3 -0.12 0.04 -0.27 -0.04 2.10 1.72 1ojiA1 LEU 122 H -0.33 0.67 0.35 -0.55 8.37 8.51 1ojiA1 LEU 122 HA -0.25 0.13 0.78 -0.75 4.35 4.26 1ojiA1 LEU 122 HB2 -0.44 0.02 0.08 -0.04 1.64 1.26 1ojiA1 LEU 122 HB3 -0.49 -0.05 -0.08 -0.04 1.64 0.98 1ojiA1 LEU 122 HG -1.22 0.02 -0.11 -0.04 1.64 0.29 1ojiA1 LEU 122 HD13 -0.51 -0.01 -0.17 -0.04 0.93 0.20 1ojiA1 LEU 122 HD23 -1.02 -0.01 -0.10 -0.04 0.89 -0.29 1ojiA1 HIS 123 H -0.03 0.21 0.05 -0.55 8.41 8.09 1ojiA1 HIS 123 HA -0.07 0.46 0.86 -0.75 4.63 5.12 1ojiA1 HIS 123 HB2 -0.02 -0.07 0.19 -0.04 3.26 3.32 1ojiA1 HIS 123 HB3 0.01 0.10 0.13 -0.04 3.20 3.39 1ojiA1 HIS 123 HD2 -0.02 0.26 -0.55 -0.04 6.97 6.62 1ojiA1 HIS 123 HE1 0.00 -0.03 -0.04 -0.04 7.75 7.64 1ojiA1 LEU 124 H -0.08 0.20 -0.03 -0.55 8.37 7.91 1ojiA1 LEU 124 HA 0.21 0.17 0.30 -0.75 4.35 4.28 1ojiA1 LEU 124 HB2 -0.46 0.00 -0.07 -0.04 1.64 1.08 1ojiA1 LEU 124 HB3 -0.33 -0.01 -0.09 -0.04 1.64 1.17 1ojiA1 LEU 124 HG -0.23 -0.03 -0.30 -0.04 1.64 1.04 1ojiA1 LEU 124 HD13 -0.16 0.00 -0.14 -0.04 0.93 0.60 1ojiA1 LEU 124 HD23 0.14 0.03 -0.26 -0.04 0.89 0.76 1ojiA1 THR 125 H 0.06 0.09 -0.19 -0.55 8.28 7.69 1ojiA1 THR 125 HA 0.14 -0.06 0.49 -0.75 4.39 4.20 1ojiA1 THR 125 HB 0.10 0.08 0.07 -0.04 4.32 4.53 1ojiA1 THR 125 HG23 0.06 -0.00 -0.10 -0.04 1.22 1.13 1ojiA1 GLY 126 H 0.14 0.43 0.35 -0.55 8.43 8.81 1ojiA1 GLY 126 HA2 -0.07 -0.12 0.47 -0.51 4.01 3.77 1ojiA1 GLY 126 HA3 -0.22 0.08 0.58 -0.51 4.01 3.95 1ojiA1 PHE 127 H 0.29 0.50 0.23 -0.55 8.34 8.80 1ojiA1 PHE 127 HA 0.16 0.02 0.85 -0.75 4.62 4.90 1ojiA1 PHE 127 HB2 0.19 0.02 -0.05 -0.04 3.15 3.26 1ojiA1 PHE 127 HB3 0.23 -0.01 0.13 -0.04 3.06 3.37 1ojiA1 PHE 127 HD2 0.13 0.00 -0.44 -0.04 7.28 6.93 1ojiA1 PHE 127 HE2 0.08 -0.04 -0.03 -0.04 7.38 7.35 1ojiA1 PHE 127 HZ 0.06 -0.05 -0.01 -0.04 7.32 7.28 1ojiA1 GLU 128 H 0.43 0.70 0.34 -0.55 8.60 9.52 1ojiA1 GLU 128 HA 0.34 0.24 1.19 -0.75 4.29 5.30 1ojiA1 GLU 128 HB2 0.13 0.11 -0.02 -0.04 2.09 2.27 1ojiA1 GLU 128 HB3 0.19 -0.13 -0.06 -0.04 1.99 1.94 1ojiA1 GLU 128 HG2 0.24 0.18 -0.22 -0.04 2.34 2.50 1ojiA1 GLU 128 HG3 0.19 0.05 -0.30 -0.04 2.34 2.24 1ojiA1 PHE 129 H 0.40 0.62 0.38 -0.55 8.34 9.20 1ojiA1 PHE 129 HA 0.35 0.16 1.01 -0.75 4.62 5.39 1ojiA1 PHE 129 HB2 0.25 -0.06 0.03 -0.04 3.15 3.33 1ojiA1 PHE 129 HB3 0.28 -0.03 0.12 -0.04 3.06 3.39 1ojiA1 PHE 129 HD2 0.10 -0.04 -0.22 -0.04 7.28 7.09 1ojiA1 PHE 129 HE2 -0.27 -0.01 -0.14 -0.04 7.38 6.91 1ojiA1 PHE 129 HZ -0.02 -0.01 -0.09 -0.04 7.32 7.17 1ojiA1 THR 130 H -0.33 1.00 0.48 -0.55 8.28 8.88 1ojiA1 THR 130 HA 0.01 0.33 1.04 -0.75 4.39 5.01 1ojiA1 THR 130 HB -0.03 0.06 0.00 -0.04 4.32 4.30 1ojiA1 THR 130 HG23 -0.08 0.02 -0.21 -0.04 1.22 0.90 1ojiA1 PHE 131 H -0.26 0.45 0.36 -0.55 8.34 8.34 1ojiA1 PHE 131 HA -0.05 0.32 0.53 -0.75 4.62 4.66 1ojiA1 PHE 131 HB2 0.00 0.06 0.09 -0.04 3.15 3.27 1ojiA1 PHE 131 HB3 0.04 -0.01 -0.05 -0.04 3.06 2.99 1ojiA1 PHE 131 HD2 0.11 0.08 -0.25 -0.04 7.28 7.17 1ojiA1 PHE 131 HE2 -0.43 -0.01 -0.16 -0.04 7.38 6.74 1ojiA1 PHE 131 HZ -0.83 -0.00 -0.13 -0.04 7.32 6.32 1ojiA1 ASP 132 H 0.09 0.65 0.31 -0.55 8.40 8.90 1ojiA1 ASP 132 HA -0.16 0.19 0.99 -0.75 4.63 4.90 1ojiA1 ASP 132 HB2 0.02 -0.04 0.08 -0.04 2.71 2.72 1ojiA1 ASP 132 HB3 -0.04 -0.01 0.06 -0.04 2.70 2.66 1ojiA1 VAL 133 H -0.32 0.64 0.44 -0.55 8.24 8.44 1ojiA1 VAL 133 HA -0.04 0.32 0.92 -0.75 4.13 4.57 1ojiA1 VAL 133 HB -0.08 0.03 -0.21 -0.04 2.12 1.82 1ojiA1 VAL 133 HG13 -0.95 0.00 -0.15 -0.04 0.97 -0.17 1ojiA1 VAL 133 HG23 -0.05 -0.01 -0.21 -0.04 0.95 0.64 1ojiA1 ASP 134 H -0.10 0.49 0.24 -0.55 8.40 8.48 1ojiA1 ASP 134 HA -0.10 0.12 0.78 -0.75 4.63 4.68 1ojiA1 ASP 134 HB2 -0.05 0.03 0.03 -0.04 2.71 2.68 1ojiA1 ASP 134 HB3 -0.04 -0.03 0.24 -0.04 2.70 2.83 1ojiA1 ALA 135 H 0.04 0.28 -0.05 -0.55 8.40 8.11 1ojiA1 ALA 135 HA 0.14 0.20 0.78 -0.75 4.34 4.70 1ojiA1 ALA 135 HB3 0.38 0.01 -0.13 -0.04 1.41 1.63 1ojiA1 THR 136 H 0.05 0.03 -0.22 -0.55 8.28 7.59 1ojiA1 THR 136 HA 0.04 0.21 0.34 -0.75 4.39 4.23 1ojiA1 THR 136 HB 0.03 -0.01 0.06 -0.04 4.32 4.36 1ojiA1 THR 136 HG23 0.04 -0.01 -0.04 -0.04 1.22 1.17 1ojiA1 LYS 137 H 0.04 0.13 -0.40 -0.55 8.42 7.63 1ojiA1 LYS 137 HA 0.03 0.16 0.55 -0.75 4.32 4.31 1ojiA1 LYS 137 HB2 0.04 0.15 0.16 -0.04 1.87 2.17 1ojiA1 LYS 137 HB3 0.05 0.04 0.23 -0.04 1.79 2.08 1ojiA1 LYS 137 HG2 0.04 0.04 -0.12 -0.04 1.46 1.37 1ojiA1 LYS 137 HG3 0.03 -0.10 -0.10 -0.04 1.46 1.25 1ojiA1 LYS 137 HD2 0.04 -0.04 -0.04 -0.04 1.69 1.60 1ojiA1 LYS 137 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.63 1ojiA1 LYS 137 HE2 0.09 0.20 0.08 -0.04 2.99 3.32 1ojiA1 LYS 137 HE3 0.09 -0.07 -0.01 -0.04 2.99 2.96 1ojiA1 LEU 138 H 0.04 0.42 -0.55 -0.55 8.37 7.73 1ojiA1 LEU 138 HA 0.00 0.18 0.86 -0.75 4.35 4.64 1ojiA1 LEU 138 HB2 0.07 -0.06 0.24 -0.04 1.64 1.86 1ojiA1 LEU 138 HB3 0.01 0.01 0.11 -0.04 1.64 1.72 1ojiA1 LEU 138 HG 0.06 -0.01 -0.26 -0.04 1.64 1.39 1ojiA1 LEU 138 HD13 0.19 0.00 0.02 -0.04 0.93 1.10 1ojiA1 LEU 138 HD23 0.02 0.00 -0.20 -0.04 0.89 0.67 1ojiA1 PRO 139 HA -0.03 0.10 0.80 -0.51 4.44 4.81 1ojiA1 PRO 139 HB2 -0.03 0.06 0.05 -0.04 2.28 2.31 1ojiA1 PRO 139 HB3 -0.02 0.05 0.03 -0.04 2.02 2.05 1ojiA1 PRO 139 HG2 -0.01 0.08 -0.09 -0.04 2.03 1.98 1ojiA1 PRO 139 HG3 0.00 0.08 -0.00 -0.04 2.03 2.07 1ojiA1 PRO 139 HD2 -0.00 0.08 0.16 -0.04 3.68 3.88 1ojiA1 PRO 139 HD3 0.01 0.21 -0.27 -0.04 3.65 3.55 1ojiA1 CYS 140 H -0.06 0.12 0.08 -0.55 8.50 8.09 1ojiA1 CYS 140 HA -0.12 -0.03 0.41 -0.75 4.58 4.09 1ojiA1 CYS 140 HB2 -0.07 0.00 -0.03 -0.04 2.97 2.82 1ojiA1 CYS 140 HB3 -0.11 0.00 -0.32 -0.04 2.97 2.51 1ojiA1 GLY 141 H -0.20 0.11 0.11 -0.55 8.43 7.90 1ojiA1 GLY 141 HA2 -0.24 0.04 0.28 -0.51 4.01 3.58 1ojiA1 GLY 141 HA3 -0.15 0.17 0.61 -0.51 4.01 4.14 1ojiA1 MET 142 H -0.14 0.40 -0.34 -0.55 8.47 7.85 1ojiA1 MET 142 HA -0.18 0.19 0.76 -0.75 4.52 4.54 1ojiA1 MET 142 HB2 -0.09 0.09 0.02 -0.04 2.15 2.13 1ojiA1 MET 142 HB3 -0.13 -0.04 -0.09 -0.04 2.03 1.73 1ojiA1 MET 142 HG2 -0.01 0.04 -0.11 -0.04 2.63 2.50 1ojiA1 MET 142 HG3 -0.04 0.02 0.03 -0.04 2.56 2.52 1ojiA1 MET 142 HE3 -0.56 -0.02 -0.13 -0.04 2.10 1.35 1ojiA1 ASN 143 H -0.37 0.46 0.14 -0.55 8.53 8.21 1ojiA1 ASN 143 HA -0.28 0.14 0.59 -0.75 4.76 4.45 1ojiA1 ASN 143 HB2 -0.81 -0.01 -0.34 -0.04 2.88 1.68 1ojiA1 ASN 143 HB3 -1.55 -0.03 -0.02 -0.04 2.79 1.16 1ojiA1 ASN 143 HD21 0.49 -0.01 -0.17 -0.04 7.03 7.30 1ojiA1 ASN 143 HD22 -0.32 -0.05 -0.20 -0.04 7.74 7.13 1ojiA1 SER 144 H 0.01 0.57 0.19 -0.55 8.46 8.68 1ojiA1 SER 144 HA 0.27 0.27 0.99 -0.75 4.49 5.26 1ojiA1 SER 144 HB2 0.55 0.02 0.03 -0.04 3.95 4.50 1ojiA1 SER 144 HB3 0.22 -0.03 0.12 -0.04 3.93 4.20 1ojiA1 ALA 145 H 0.50 0.65 0.18 -0.55 8.40 9.18 1ojiA1 ALA 145 HA 0.49 0.38 0.91 -0.75 4.34 5.37 1ojiA1 ALA 145 HB3 0.58 -0.04 -0.06 -0.04 1.41 1.85 1ojiA1 LEU 146 H 0.53 0.72 0.29 -0.55 8.37 9.36 1ojiA1 LEU 146 HA -0.03 0.35 0.73 -0.75 4.35 4.64 1ojiA1 LEU 146 HB2 -0.70 0.05 0.03 -0.04 1.64 0.97 1ojiA1 LEU 146 HB3 -0.18 -0.07 0.12 -0.04 1.64 1.48 1ojiA1 LEU 146 HG -0.43 0.09 0.06 -0.04 1.64 1.32 1ojiA1 LEU 146 HD13 -1.24 -0.01 -0.07 -0.04 0.93 -0.42 1ojiA1 LEU 146 HD23 -0.45 -0.02 -0.26 -0.04 0.89 0.12 1ojiA1 TYR 147 H -0.15 0.72 0.41 -0.55 8.29 8.71 1ojiA1 TYR 147 HA -0.01 -0.04 0.93 -0.75 4.56 4.69 1ojiA1 TYR 147 HB2 0.07 0.07 0.13 -0.04 3.06 3.28 1ojiA1 TYR 147 HB3 0.14 0.02 -0.22 -0.04 2.98 2.88 1ojiA1 TYR 147 HD2 0.10 -0.00 -0.36 -0.04 7.15 6.86 1ojiA1 TYR 147 HE2 0.18 0.02 -0.23 -0.04 6.85 6.78 1ojiA1 LEU 148 H 0.18 0.49 0.35 -0.55 8.37 8.83 1ojiA1 LEU 148 HA -0.18 0.52 1.09 -0.75 4.35 5.02 1ojiA1 LEU 148 HB2 -0.08 -0.15 0.16 -0.04 1.64 1.53 1ojiA1 LEU 148 HB3 -0.17 0.04 -0.06 -0.04 1.64 1.41 1ojiA1 LEU 148 HG -0.24 -0.07 -0.22 -0.04 1.64 1.07 1ojiA1 LEU 148 HD13 -0.27 -0.01 -0.09 -0.04 0.93 0.52 1ojiA1 LEU 148 HD23 -0.37 0.03 -0.25 -0.04 0.89 0.25 1ojiA1 SER 149 H -0.16 0.62 0.42 -0.55 8.46 8.79 1ojiA1 SER 149 HA -0.05 0.25 0.87 -0.75 4.49 4.81 1ojiA1 SER 149 HB2 -0.17 -0.07 0.07 -0.04 3.95 3.74 1ojiA1 SER 149 HB3 -0.18 0.03 -0.02 -0.04 3.93 3.72 1ojiA1 GLU 150 H -0.09 0.42 0.05 -0.55 8.60 8.43 1ojiA1 GLU 150 HA -0.11 0.22 0.77 -0.75 4.29 4.43 1ojiA1 GLU 150 HB2 -0.06 0.01 0.16 -0.04 2.09 2.16 1ojiA1 GLU 150 HB3 -0.05 -0.07 0.23 -0.04 1.99 2.05 1ojiA1 GLU 150 HG2 -0.05 0.03 0.07 -0.04 2.34 2.35 1ojiA1 GLU 150 HG3 -0.07 0.28 0.12 -0.04 2.34 2.63 1ojiA1 MET 151 H -0.17 0.29 -0.49 -0.55 8.47 7.55 1ojiA1 MET 151 HA -0.06 0.09 0.59 -0.75 4.52 4.38 1ojiA1 MET 151 HB2 -0.31 -0.01 -0.08 -0.04 2.15 1.71 1ojiA1 MET 151 HB3 -0.16 0.06 -0.08 -0.04 2.03 1.82 1ojiA1 MET 151 HG2 -0.22 0.24 -0.05 -0.04 2.63 2.56 1ojiA1 MET 151 HG3 -0.25 -0.11 -0.16 -0.04 2.56 2.00 1ojiA1 MET 151 HE3 -1.06 0.01 -0.31 -0.04 2.10 0.70 1ojiA1 HIS 152 H 0.13 0.13 0.10 -0.55 8.41 8.22 1ojiA1 HIS 152 HA 0.02 0.21 0.41 -0.75 4.63 4.51 1ojiA1 HIS 152 HB2 0.02 0.09 0.10 -0.04 3.26 3.43 1ojiA1 HIS 152 HB3 0.05 -0.14 0.05 -0.04 3.20 3.12 1ojiA1 HIS 152 HD2 0.02 0.06 0.03 -0.04 6.97 7.03 1ojiA1 HIS 152 HE1 0.02 0.08 0.01 -0.04 7.75 7.81 1ojiA1 PRO 153 HA 0.14 0.13 0.28 -0.51 4.44 4.48 1ojiA1 PRO 153 HB2 -0.08 0.02 -0.08 -0.04 2.28 2.09 1ojiA1 PRO 153 HB3 -0.04 0.11 0.09 -0.04 2.02 2.14 1ojiA1 PRO 153 HG2 -0.31 0.02 0.08 -0.04 2.03 1.78 1ojiA1 PRO 153 HG3 -0.15 0.14 0.07 -0.04 2.03 2.05 1ojiA1 PRO 153 HD2 -1.21 0.04 0.21 -0.04 3.68 2.68 1ojiA1 PRO 153 HD3 -0.26 0.31 0.22 -0.04 3.65 3.88 1ojiA1 THR 154 H 0.31 0.07 -0.18 -0.55 8.28 7.93 1ojiA1 THR 154 HA -0.01 0.36 1.06 -0.75 4.39 5.04 1ojiA1 THR 154 HB 0.06 0.13 0.26 -0.04 4.32 4.73 1ojiA1 THR 154 HG23 0.11 0.02 -0.00 -0.04 1.22 1.30 1ojiA1 GLY 155 H 0.27 0.48 -0.30 -0.55 8.43 8.33 1ojiA1 GLY 155 HA2 0.30 0.17 0.14 -0.51 4.01 4.11 1ojiA1 GLY 155 HA3 0.17 0.05 0.15 -0.51 4.01 3.87 1ojiA1 ALA 156 H 0.28 -0.09 -0.34 -0.55 8.40 7.70 1ojiA1 ALA 156 HA -0.51 -0.01 0.17 -0.75 4.34 3.24 1ojiA1 ALA 156 HB3 -0.13 0.03 0.06 -0.04 1.41 1.33 1ojiA1 LYS 157 H 0.02 0.00 -0.29 -0.55 8.42 7.60 1ojiA1 LYS 157 HA 0.00 0.26 0.40 -0.75 4.32 4.23 1ojiA1 LYS 157 HB2 0.02 0.09 0.15 -0.04 1.87 2.09 1ojiA1 LYS 157 HB3 0.01 -0.13 0.05 -0.04 1.79 1.68 1ojiA1 LYS 157 HG2 -0.01 0.07 0.01 -0.04 1.46 1.48 1ojiA1 LYS 157 HG3 0.01 0.09 -0.16 -0.04 1.46 1.36 1ojiA1 LYS 157 HD2 -0.01 0.00 0.00 -0.04 1.69 1.65 1ojiA1 LYS 157 HD3 -0.01 -0.12 -0.05 -0.04 1.68 1.46 1ojiA1 LYS 157 HE2 -0.03 -0.12 -0.08 -0.04 2.99 2.73 1ojiA1 LYS 157 HE3 -0.03 0.09 0.01 -0.04 2.99 3.02 1ojiA1 SER 158 H -0.02 0.74 0.14 -0.55 8.46 8.77 1ojiA1 SER 158 HA -0.05 0.08 0.45 -0.75 4.49 4.22 1ojiA1 SER 158 HB2 -0.05 -0.14 0.13 -0.04 3.95 3.85 1ojiA1 SER 158 HB3 -0.05 0.22 -0.37 -0.04 3.93 3.70 1ojiA1 LYS 159 H -0.13 0.13 0.11 -0.55 8.42 7.97 1ojiA1 LYS 159 HA -0.18 0.10 0.23 -0.75 4.32 3.71 1ojiA1 LYS 159 HB2 -0.27 -0.01 0.15 -0.04 1.87 1.69 1ojiA1 LYS 159 HB3 -0.70 -0.07 0.13 -0.04 1.79 1.11 1ojiA1 LYS 159 HG2 -0.53 0.08 -0.09 -0.04 1.46 0.89 1ojiA1 LYS 159 HG3 -0.26 0.00 0.04 -0.04 1.46 1.20 1ojiA1 LYS 159 HD2 -0.30 -0.03 0.02 -0.04 1.69 1.33 1ojiA1 LYS 159 HD3 -0.99 -0.02 -0.02 -0.04 1.68 0.61 1ojiA1 LYS 159 HE2 -0.16 0.02 -0.00 -0.04 2.99 2.80 1ojiA1 LYS 159 HE3 -0.11 -0.03 -0.00 -0.04 2.99 2.81 1ojiA1 TYR 160 H -0.14 -0.02 -0.08 -0.55 8.29 7.50 1ojiA1 TYR 160 HA -0.01 0.21 0.68 -0.75 4.56 4.68 1ojiA1 TYR 160 HB2 -0.00 -0.05 0.03 -0.04 3.06 3.00 1ojiA1 TYR 160 HB3 0.01 0.09 0.10 -0.04 2.98 3.14 1ojiA1 TYR 160 HD2 -0.01 0.09 0.00 -0.04 7.15 7.19 1ojiA1 TYR 160 HE2 -0.01 0.02 -0.01 -0.04 6.85 6.81 1ojiA1 ASN 161 H 0.02 -0.11 -0.56 -0.55 8.53 7.34 1ojiA1 ASN 161 HA 0.01 0.32 0.91 -0.75 4.76 5.24 1ojiA1 ASN 161 HB2 0.06 0.11 -0.05 -0.04 2.88 2.96 1ojiA1 ASN 161 HB3 0.02 -0.01 0.16 -0.04 2.79 2.91 1ojiA1 ASN 161 HD21 0.05 -0.14 -0.24 -0.04 7.03 6.66 1ojiA1 ASN 161 HD22 0.02 0.40 -0.26 -0.04 7.74 7.86 1ojiA1 PRO 162 HA -0.03 0.03 0.50 -0.51 4.44 4.43 1ojiA1 PRO 162 HB2 -0.05 -0.02 0.00 -0.04 2.28 2.17 1ojiA1 PRO 162 HB3 -0.05 0.02 0.10 -0.04 2.02 2.05 1ojiA1 PRO 162 HG2 -0.10 -0.00 0.09 -0.04 2.03 1.98 1ojiA1 PRO 162 HG3 -0.05 0.07 0.09 -0.04 2.03 2.10 1ojiA1 PRO 162 HD2 -0.04 0.26 0.02 -0.04 3.68 3.88 1ojiA1 PRO 162 HD3 -0.02 0.24 -0.25 -0.04 3.65 3.58 1ojiA1 GLY 163 H -0.09 0.16 -0.20 -0.55 8.43 7.75 1ojiA1 GLY 163 HA2 0.10 0.06 0.38 -0.51 4.01 4.04 1ojiA1 GLY 163 HA3 -0.14 0.05 0.22 -0.51 4.01 3.63 1ojiA1 GLY 164 H 0.04 0.09 -0.17 -0.55 8.43 7.84 1ojiA1 GLY 164 HA2 0.06 0.13 0.14 -0.51 4.01 3.83 1ojiA1 GLY 164 HA3 0.06 0.13 0.18 -0.51 4.01 3.87 1ojiA1 ALA 165 H -0.03 0.41 -0.16 -0.55 8.40 8.07 1ojiA1 ALA 165 HA -0.09 0.00 0.31 -0.75 4.34 3.81 1ojiA1 ALA 165 HB3 -0.68 0.01 -0.32 -0.04 1.41 0.38 1ojiA1 TYR 166 H 0.14 0.24 -0.21 -0.55 8.29 7.91 1ojiA1 TYR 166 HA -0.06 0.13 0.36 -0.75 4.56 4.24 1ojiA1 TYR 166 HB2 -0.03 -0.04 0.15 -0.04 3.06 3.11 1ojiA1 TYR 166 HB3 0.08 0.20 0.08 -0.04 2.98 3.29 1ojiA1 TYR 166 HD2 -0.37 0.07 -0.11 -0.04 7.15 6.70 1ojiA1 TYR 166 HE2 -0.15 -0.06 0.02 -0.04 6.85 6.62 1ojiA1 TYR 167 H 0.29 0.34 -0.72 -0.55 8.29 7.65 1ojiA1 TYR 167 HA -0.01 0.21 0.81 -0.75 4.56 4.82 1ojiA1 TYR 167 HB2 -0.02 -0.05 -0.16 -0.04 3.06 2.79 1ojiA1 TYR 167 HB3 -0.25 0.00 0.04 -0.04 2.98 2.73 1ojiA1 TYR 167 HD2 -0.08 0.07 -0.11 -0.04 7.15 6.98 1ojiA1 TYR 167 HE2 0.05 -0.01 -0.11 -0.04 6.85 6.75 1ojiA1 GLY 168 H 0.21 0.54 -0.35 -0.55 8.43 8.28 1ojiA1 GLY 168 HA2 0.54 0.00 0.17 -0.51 4.01 4.21 1ojiA1 GLY 168 HA3 0.35 0.27 0.29 -0.51 4.01 4.40 1ojiA1 THR 169 H 0.21 0.37 -0.31 -0.55 8.28 8.00 1ojiA1 THR 169 HA 0.18 0.02 0.58 -0.75 4.39 4.41 1ojiA1 THR 169 HB 0.10 -0.17 -0.09 -0.04 4.32 4.12 1ojiA1 THR 169 HG23 0.05 0.04 -0.14 -0.04 1.22 1.12 1ojiA1 GLY 170 H 0.15 0.03 0.10 -0.55 8.43 8.16 1ojiA1 GLY 170 HA2 0.09 -0.08 0.22 -0.51 4.01 3.73 1ojiA1 GLY 170 HA3 0.12 0.12 0.41 -0.51 4.01 4.15 1ojiA1 TYR 171 H 0.22 0.05 -0.06 -0.55 8.29 7.95 1ojiA1 TYR 171 HA -0.16 0.05 0.18 -0.75 4.56 3.88 1ojiA1 TYR 171 HB2 0.15 0.06 0.00 -0.04 3.06 3.23 1ojiA1 TYR 171 HB3 0.14 -0.03 0.02 -0.04 2.98 3.07 1ojiA1 TYR 171 HD2 0.02 -0.01 -0.18 -0.04 7.15 6.94 1ojiA1 TYR 171 HE2 0.21 -0.03 -0.18 -0.04 6.85 6.81 1ojiA1 CYS 172 H -0.62 0.20 0.12 -0.55 8.50 7.66 1ojiA1 CYS 172 HA -0.34 0.14 0.23 -0.75 4.58 3.86 1ojiA1 CYS 172 HB2 -0.14 -0.02 -0.45 -0.04 2.97 2.32 1ojiA1 CYS 172 HB3 -0.11 0.07 -0.25 -0.04 2.97 2.64 1ojiA1 ASP 173 H -0.21 0.47 0.20 -0.55 8.40 8.31 1ojiA1 ASP 173 HA -0.17 0.18 0.22 -0.75 4.63 4.10 1ojiA1 ASP 173 HB2 -0.13 -0.06 0.12 -0.04 2.71 2.61 1ojiA1 ASP 173 HB3 -0.11 0.18 -0.08 -0.04 2.70 2.64 1ojiA1 ALA 174 H -0.20 0.16 0.08 -0.55 8.40 7.90 1ojiA1 ALA 174 HA -0.11 0.10 0.42 -0.75 4.34 3.99 1ojiA1 ALA 174 HB3 -0.14 0.02 -0.03 -0.04 1.41 1.22 1ojiA1 GLN 175 H -0.30 0.00 -0.49 -0.55 8.47 7.13 1ojiA1 GLN 175 HA -0.31 0.18 0.57 -0.75 4.36 4.05 1ojiA1 GLN 175 HB2 -1.23 -0.05 -0.08 -0.04 2.15 0.76 1ojiA1 GLN 175 HB3 -1.32 0.03 0.01 -0.04 2.02 0.70 1ojiA1 GLN 175 HG2 -0.29 -0.08 -0.11 -0.04 2.40 1.88 1ojiA1 GLN 175 HG3 -0.16 0.01 -0.08 -0.04 2.39 2.12 1ojiA1 GLN 175 HE21 -0.09 0.58 0.06 -0.04 6.97 7.48 1ojiA1 GLN 175 HE22 -0.33 -0.11 -0.13 -0.04 7.69 7.07 1ojiA1 CYS 176 H -0.22 0.26 -0.24 -0.55 8.50 7.75 1ojiA1 CYS 176 HA -0.08 0.07 -0.12 -0.75 4.58 3.70 1ojiA1 CYS 176 HB2 -0.09 0.29 -0.31 -0.04 2.97 2.83 1ojiA1 CYS 176 HB3 -0.03 -0.10 0.05 -0.04 2.97 2.84 1ojiA1 PHE 177 H -0.12 -0.01 -0.26 -0.55 8.34 7.40 1ojiA1 PHE 177 HA -0.06 0.13 0.37 -0.75 4.62 4.30 1ojiA1 PHE 177 HB2 0.20 -0.05 -0.05 -0.04 3.15 3.21 1ojiA1 PHE 177 HB3 -0.06 0.09 -0.05 -0.04 3.06 3.00 1ojiA1 PHE 177 HD2 0.22 0.03 -0.08 -0.04 7.28 7.41 1ojiA1 PHE 177 HE2 0.14 -0.00 -0.07 -0.04 7.38 7.41 1ojiA1 PHE 177 HZ 0.13 -0.02 -0.06 -0.04 7.32 7.33 1ojiA1 VAL 178 H -0.16 0.14 0.15 -0.55 8.24 7.81 1ojiA1 VAL 178 HA -0.07 0.30 0.77 -0.75 4.13 4.37 1ojiA1 VAL 178 HB -0.27 -0.09 -0.02 -0.04 2.12 1.70 1ojiA1 VAL 178 HG13 -0.12 0.06 -0.44 -0.04 0.97 0.42 1ojiA1 VAL 178 HG23 -0.08 0.00 -0.16 -0.04 0.95 0.68 1ojiA1 THR 179 H -0.04 0.28 0.07 -0.55 8.28 8.04 1ojiA1 THR 179 HA -0.11 0.04 0.75 -0.75 4.39 4.32 1ojiA1 THR 179 HB 0.16 -0.01 0.09 -0.04 4.32 4.51 1ojiA1 THR 179 HG23 0.23 -0.03 -0.17 -0.04 1.22 1.20 1ojiA1 PRO 180 HA -0.13 0.11 0.55 -0.51 4.44 4.46 1ojiA1 PRO 180 HB2 0.02 0.12 -0.07 -0.04 2.28 2.31 1ojiA1 PRO 180 HB3 -0.02 0.05 -0.20 -0.04 2.02 1.80 1ojiA1 PRO 180 HG2 0.24 -0.01 -0.12 -0.04 2.03 2.10 1ojiA1 PRO 180 HG3 0.12 0.06 -0.55 -0.04 2.03 1.62 1ojiA1 PRO 180 HD2 0.13 -0.02 0.10 -0.04 3.68 3.84 1ojiA1 PRO 180 HD3 0.01 0.15 -0.14 -0.04 3.65 3.63 1ojiA1 PHE 181 H 0.21 0.11 -0.32 -0.55 8.34 7.80 1ojiA1 PHE 181 HA 0.01 0.33 0.74 -0.75 4.62 4.94 1ojiA1 PHE 181 HB2 0.05 -0.07 -0.13 -0.04 3.15 2.95 1ojiA1 PHE 181 HB3 0.03 -0.15 -0.30 -0.04 3.06 2.59 1ojiA1 PHE 181 HD2 0.01 -0.10 -0.56 -0.04 7.28 6.60 1ojiA1 PHE 181 HE2 -0.01 0.05 -0.17 -0.04 7.38 7.21 1ojiA1 PHE 181 HZ -0.02 0.03 -0.11 -0.04 7.32 7.18 1ojiA1 ILE 182 H 0.09 0.85 0.12 -0.55 8.25 8.76 1ojiA1 ILE 182 HA 0.11 0.09 0.72 -0.75 4.18 4.35 1ojiA1 ILE 182 HB 0.00 0.01 -0.07 -0.04 1.89 1.80 1ojiA1 ILE 182 HG12 0.06 0.04 -0.09 -0.04 1.49 1.46 1ojiA1 ILE 182 HG13 0.02 0.08 -0.58 -0.04 1.21 0.69 1ojiA1 ILE 182 HG23 0.01 0.01 -0.22 -0.04 0.93 0.68 1ojiA1 ILE 182 HD13 -0.02 -0.00 -0.30 -0.04 0.88 0.51 1ojiA1 ASN 183 H 0.09 0.14 0.04 -0.55 8.53 8.25 1ojiA1 ASN 183 HA 0.07 0.01 0.23 -0.75 4.76 4.31 1ojiA1 ASN 183 HB2 0.02 0.13 -0.11 -0.04 2.88 2.87 1ojiA1 ASN 183 HB3 0.00 0.11 0.22 -0.04 2.79 3.08 1ojiA1 ASN 183 HD21 -0.00 0.01 -0.08 -0.04 7.03 6.91 1ojiA1 ASN 183 HD22 -0.02 0.03 -0.12 -0.04 7.74 7.60 1ojiA1 GLY 184 H 0.14 -0.03 -0.42 -0.55 8.43 7.56 1ojiA1 GLY 184 HA2 0.07 0.01 0.13 -0.51 4.01 3.72 1ojiA1 GLY 184 HA3 0.06 0.12 0.25 -0.51 4.01 3.92 1ojiA1 LEU 185 H 0.15 0.28 -0.56 -0.55 8.37 7.70 1ojiA1 LEU 185 HA 0.17 0.23 0.79 -0.75 4.35 4.80 1ojiA1 LEU 185 HB2 0.04 0.08 -0.03 -0.04 1.64 1.69 1ojiA1 LEU 185 HB3 0.03 -0.07 0.01 -0.04 1.64 1.56 1ojiA1 LEU 185 HG 0.06 0.24 -0.18 -0.04 1.64 1.72 1ojiA1 LEU 185 HD13 0.04 -0.04 -0.04 -0.04 0.93 0.84 1ojiA1 LEU 185 HD23 0.13 0.01 -0.25 -0.04 0.89 0.74 1ojiA1 GLY 186 H -0.00 0.13 0.14 -0.55 8.43 8.15 1ojiA1 GLY 186 HA2 -0.88 0.26 0.47 -0.51 4.01 3.34 1ojiA1 GLY 186 HA3 -0.30 0.00 0.31 -0.51 4.01 3.51 1ojiA1 ASN 187 H -0.37 0.78 0.25 -0.55 8.53 8.65 1ojiA1 ASN 187 HA -0.11 0.01 0.59 -0.75 4.76 4.50 1ojiA1 ASN 187 HB2 -0.10 -0.02 -0.21 -0.04 2.88 2.51 1ojiA1 ASN 187 HB3 -0.14 0.15 0.19 -0.04 2.79 2.95 1ojiA1 ASN 187 HD21 -0.07 0.40 -0.09 -0.04 7.03 7.23 1ojiA1 ASN 187 HD22 -0.08 0.50 -0.02 -0.04 7.74 8.09 1ojiA1 ILE 188 H -0.11 0.30 -0.09 -0.55 8.25 7.80 1ojiA1 ILE 188 HA -0.11 0.20 0.16 -0.75 4.18 3.68 1ojiA1 ILE 188 HB -0.08 -0.09 0.03 -0.04 1.89 1.72 1ojiA1 ILE 188 HG12 -0.10 0.10 -0.07 -0.04 1.49 1.38 1ojiA1 ILE 188 HG13 -0.09 -0.17 -0.13 -0.04 1.21 0.78 1ojiA1 ILE 188 HG23 -0.07 0.05 -0.08 -0.04 0.93 0.79 1ojiA1 ILE 188 HD13 -0.13 0.06 -0.37 -0.04 0.88 0.40 1ojiA1 GLU 189 H -0.08 -0.00 -0.21 -0.55 8.60 7.76 1ojiA1 GLU 189 HA -0.05 0.19 0.53 -0.75 4.29 4.20 1ojiA1 GLU 189 HB2 -0.06 -0.05 -0.03 -0.04 2.09 1.91 1ojiA1 GLU 189 HB3 -0.05 0.01 0.05 -0.04 1.99 1.95 1ojiA1 GLU 189 HG2 -0.06 -0.05 -0.02 -0.04 2.34 2.17 1ojiA1 GLU 189 HG3 -0.05 -0.01 -0.02 -0.04 2.34 2.23 1ojiA1 GLY 190 H -0.08 0.24 -0.39 -0.55 8.43 7.66 1ojiA1 GLY 190 HA2 -0.08 0.13 0.18 -0.51 4.01 3.73 1ojiA1 GLY 190 HA3 -0.07 0.05 0.27 -0.51 4.01 3.75 1ojiA1 LYS 191 H -0.07 -0.11 -0.22 -0.55 8.42 7.46 1ojiA1 LYS 191 HA -0.05 0.13 0.48 -0.75 4.32 4.13 1ojiA1 LYS 191 HB2 -0.07 -0.04 -0.14 -0.04 1.87 1.58 1ojiA1 LYS 191 HB3 -0.09 0.07 -0.04 -0.04 1.79 1.69 1ojiA1 LYS 191 HG2 -0.07 -0.08 -0.23 -0.04 1.46 1.04 1ojiA1 LYS 191 HG3 -0.08 -0.05 -0.11 -0.04 1.46 1.17 1ojiA1 LYS 191 HD2 -0.13 0.05 -0.26 -0.04 1.69 1.30 1ojiA1 LYS 191 HD3 -0.08 0.07 -0.37 -0.04 1.68 1.25 1ojiA1 LYS 191 HE2 -0.06 -0.01 -0.12 -0.04 2.99 2.76 1ojiA1 LYS 191 HE3 -0.07 -0.07 -0.11 -0.04 2.99 2.71 1ojiA1 GLY 192 H -0.04 0.39 0.24 -0.55 8.43 8.47 1ojiA1 GLY 192 HA2 -0.02 0.25 0.44 -0.51 4.01 4.17 1ojiA1 GLY 192 HA3 -0.02 0.13 0.15 -0.51 4.01 3.76 1ojiA1 SER 193 H 0.02 0.74 -0.04 -0.55 8.46 8.64 1ojiA1 SER 193 HA -0.02 0.12 0.77 -0.75 4.49 4.62 1ojiA1 SER 193 HB2 0.04 0.02 0.01 -0.04 3.95 3.98 1ojiA1 SER 193 HB3 0.06 -0.08 0.18 -0.04 3.93 4.06 1ojiA1 CYS 194 H 0.01 0.54 0.25 -0.55 8.50 8.76 1ojiA1 CYS 194 HA -0.06 0.22 0.69 -0.75 4.58 4.68 1ojiA1 CYS 194 HB2 0.17 0.10 0.13 -0.04 2.97 3.33 1ojiA1 CYS 194 HB3 0.02 -0.02 -0.16 -0.04 2.97 2.76 1ojiA1 CYS 195 H -0.09 0.47 -0.08 -0.55 8.50 8.25 1ojiA1 CYS 195 HA -0.03 0.16 0.16 -0.75 4.58 4.11 1ojiA1 CYS 195 HB2 -0.06 -0.03 0.06 -0.04 2.97 2.90 1ojiA1 CYS 195 HB3 -0.05 0.19 -0.01 -0.04 2.97 3.06 1ojiA1 ASN 196 H -0.05 0.23 0.12 -0.55 8.53 8.29 1ojiA1 ASN 196 HA -0.01 0.12 0.57 -0.75 4.76 4.67 1ojiA1 ASN 196 HB2 -0.04 -0.03 0.19 -0.04 2.88 2.96 1ojiA1 ASN 196 HB3 -0.02 0.02 0.01 -0.04 2.79 2.76 1ojiA1 ASN 196 HD21 -0.06 0.36 0.20 -0.04 7.03 7.49 1ojiA1 ASN 196 HD22 -0.04 -0.04 0.21 -0.04 7.74 7.83 1ojiA1 SER 197 H 0.04 0.50 0.36 -0.55 8.46 8.81 1ojiA1 SER 197 HA 0.02 0.23 0.75 -0.75 4.49 4.73 1ojiA1 SER 197 HB2 0.03 -0.01 -0.07 -0.04 3.95 3.86 1ojiA1 SER 197 HB3 0.03 0.08 0.16 -0.04 3.93 4.17 1ojiA1 MET 198 H 0.08 0.53 0.24 -0.55 8.47 8.77 1ojiA1 MET 198 HA 0.17 0.05 0.93 -0.75 4.52 4.92 1ojiA1 MET 198 HB2 0.05 0.00 -0.04 -0.04 2.15 2.12 1ojiA1 MET 198 HB3 0.01 -0.00 0.18 -0.04 2.03 2.18 1ojiA1 MET 198 HG2 0.10 0.00 -0.11 -0.04 2.63 2.58 1ojiA1 MET 198 HG3 0.19 -0.02 -0.29 -0.04 2.56 2.40 1ojiA1 MET 198 HE3 0.23 0.03 -0.29 -0.04 2.10 2.02 1ojiA1 ASP 199 H 0.24 0.63 0.11 -0.55 8.40 8.84 1ojiA1 ASP 199 HA 0.23 0.05 0.75 -0.75 4.63 4.91 1ojiA1 ASP 199 HB2 0.29 0.14 0.19 -0.04 2.71 3.28 1ojiA1 ASP 199 HB3 0.25 0.03 -0.10 -0.04 2.70 2.84 1ojiA1 ILE 200 H 0.23 0.26 0.25 -0.55 8.25 8.45 1ojiA1 ILE 200 HA 0.25 -0.05 0.29 -0.75 4.18 3.92 1ojiA1 ILE 200 HB 0.14 0.21 0.10 -0.04 1.89 2.30 1ojiA1 ILE 200 HG12 0.34 -0.04 -0.06 -0.04 1.49 1.69 1ojiA1 ILE 200 HG13 0.15 -0.03 -0.06 -0.04 1.21 1.23 1ojiA1 ILE 200 HG23 0.32 -0.01 -0.18 -0.04 0.93 1.02 1ojiA1 ILE 200 HD13 -0.25 -0.01 -0.11 -0.04 0.88 0.47 1ojiA1 TRP 201 H 0.41 0.37 -0.04 -0.55 7.97 8.17 1ojiA1 TRP 201 HA 0.30 0.21 0.79 -0.75 4.62 5.16 1ojiA1 TRP 201 HB2 0.46 0.04 -0.19 -0.04 3.23 3.49 1ojiA1 TRP 201 HB3 0.19 -0.02 0.08 -0.04 3.23 3.44 1ojiA1 TRP 201 HD1 0.28 -0.17 -0.41 -0.04 7.22 6.88 1ojiA1 TRP 201 HE1 0.46 -0.03 -0.22 -0.04 10.20 10.36 1ojiA1 TRP 201 HE3 0.44 0.03 -0.08 -0.04 7.59 7.94 1ojiA1 TRP 201 HZ2 0.32 -0.01 -0.20 -0.04 7.44 7.51 1ojiA1 TRP 201 HZ3 0.65 -0.02 -0.12 -0.04 7.13 7.60 1ojiA1 TRP 201 HH2 0.72 -0.00 -0.17 -0.04 7.19 7.70 1ojiA1 GLU 202 H 0.08 0.65 0.20 -0.55 8.60 8.98 1ojiA1 GLU 202 HA -0.01 0.23 0.39 -0.75 4.29 4.15 1ojiA1 GLU 202 HB2 0.33 -0.01 0.08 -0.04 2.09 2.45 1ojiA1 GLU 202 HB3 0.25 -0.02 -0.04 -0.04 1.99 2.13 1ojiA1 GLU 202 HG2 0.30 0.05 0.07 -0.04 2.34 2.73 1ojiA1 GLU 202 HG3 0.30 -0.06 -0.34 -0.04 2.34 2.20 1ojiA1 ALA 203 H -0.41 0.58 0.23 -0.55 8.40 8.25 1ojiA1 ALA 203 HA -0.40 0.18 0.95 -0.75 4.34 4.31 1ojiA1 ALA 203 HB3 -1.55 0.01 -0.04 -0.04 1.41 -0.21 1ojiA1 ASN 204 H -0.13 0.53 0.32 -0.55 8.53 8.71 1ojiA1 ASN 204 HA 0.07 0.12 0.49 -0.75 4.76 4.68 1ojiA1 ASN 204 HB2 -0.03 0.04 -0.03 -0.04 2.88 2.82 1ojiA1 ASN 204 HB3 -0.11 0.24 -0.07 -0.04 2.79 2.81 1ojiA1 ASN 204 HD21 -0.21 -0.17 -0.09 -0.04 7.03 6.52 1ojiA1 ASN 204 HD22 -0.21 0.50 0.02 -0.04 7.74 8.01 1ojiA1 SER 205 H 0.03 0.77 0.26 -0.55 8.46 8.98 1ojiA1 SER 205 HA 0.09 0.05 0.37 -0.75 4.49 4.25 1ojiA1 SER 205 HB2 -0.02 -0.13 0.03 -0.04 3.95 3.78 1ojiA1 SER 205 HB3 0.04 0.29 0.13 -0.04 3.93 4.35 1ojiA1 ARG 206 H 0.02 -0.04 -0.42 -0.55 8.46 7.46 1ojiA1 ARG 206 HA -0.08 0.12 0.84 -0.75 4.34 4.46 1ojiA1 ARG 206 HB2 -0.08 -0.01 -0.02 -0.04 1.90 1.74 1ojiA1 ARG 206 HB3 -0.09 0.02 0.07 -0.04 1.80 1.77 1ojiA1 ARG 206 HG2 -0.05 -0.01 -0.10 -0.04 1.67 1.46 1ojiA1 ARG 206 HG3 -0.07 -0.06 -0.02 -0.04 1.67 1.48 1ojiA1 ARG 206 HD2 -0.08 0.07 -0.49 -0.04 3.22 2.69 1ojiA1 ARG 206 HD3 -0.05 0.01 -0.05 -0.04 3.22 3.09 1ojiA1 ALA 207 H 0.04 0.03 -0.03 -0.55 8.40 7.90 1ojiA1 ALA 207 HA 0.11 0.12 0.56 -0.75 4.34 4.37 1ojiA1 ALA 207 HB3 -0.07 0.01 0.07 -0.04 1.41 1.39 1ojiA1 SER 208 H -0.25 0.21 0.21 -0.55 8.46 8.08 1ojiA1 SER 208 HA -0.44 0.16 0.91 -0.75 4.49 4.36 1ojiA1 SER 208 HB2 -1.59 0.04 -0.18 -0.04 3.95 2.18 1ojiA1 SER 208 HB3 -0.65 -0.08 0.08 -0.04 3.93 3.24 1ojiA1 HIS 209 H -0.04 0.40 0.29 -0.55 8.41 8.52 1ojiA1 HIS 209 HA 0.13 0.29 0.93 -0.75 4.63 5.22 1ojiA1 HIS 209 HB2 0.07 0.02 -0.12 -0.04 3.26 3.19 1ojiA1 HIS 209 HB3 0.12 0.15 0.15 -0.04 3.20 3.57 1ojiA1 HIS 209 HD2 0.31 -0.07 -0.34 -0.04 6.97 6.82 1ojiA1 HIS 209 HE1 0.23 -0.02 -0.08 -0.04 7.75 7.84 1ojiA1 VAL 210 H -0.05 0.45 0.38 -0.55 8.24 8.47 1ojiA1 VAL 210 HA 0.21 0.32 0.67 -0.75 4.13 4.57 1ojiA1 VAL 210 HB 0.27 -0.10 0.14 -0.04 2.12 2.39 1ojiA1 VAL 210 HG13 0.08 0.00 0.01 -0.04 0.97 1.02 1ojiA1 VAL 210 HG23 0.30 0.07 -0.13 -0.04 0.95 1.15 1ojiA1 ALA 211 H 0.16 0.59 0.09 -0.55 8.40 8.69 1ojiA1 ALA 211 HA -0.03 0.31 0.57 -0.75 4.34 4.43 1ojiA1 ALA 211 HB3 0.05 -0.01 -0.22 -0.04 1.41 1.18 1ojiA1 PRO 212 HA 0.17 0.08 0.88 -0.51 4.44 5.07 1ojiA1 PRO 212 HB2 0.36 0.00 -0.08 -0.04 2.28 2.51 1ojiA1 PRO 212 HB3 0.17 0.03 0.05 -0.04 2.02 2.23 1ojiA1 PRO 212 HG2 -0.36 -0.07 0.10 -0.04 2.03 1.66 1ojiA1 PRO 212 HG3 0.01 0.01 -0.00 -0.04 2.03 2.00 1ojiA1 PRO 212 HD2 -0.12 0.44 0.27 -0.04 3.68 4.23 1ojiA1 PRO 212 HD3 -0.01 0.11 0.03 -0.04 3.65 3.75 1ojiA1 HIS 213 H 0.24 0.60 0.36 -0.55 8.41 9.06 1ojiA1 HIS 213 HA 0.14 0.03 0.90 -0.75 4.63 4.94 1ojiA1 HIS 213 HB2 0.01 -0.02 0.27 -0.04 3.26 3.48 1ojiA1 HIS 213 HB3 -0.01 0.09 0.03 -0.04 3.20 3.26 1ojiA1 HIS 213 HD2 0.04 0.03 -0.22 -0.04 6.97 6.77 1ojiA1 HIS 213 HE1 -0.10 0.16 -0.31 -0.04 7.75 7.45 1ojiA1 THR 214 H 0.12 0.10 0.11 -0.55 8.28 8.07 1ojiA1 THR 214 HA -0.01 0.11 0.53 -0.75 4.39 4.27 1ojiA1 THR 214 HB -0.13 0.26 -0.25 -0.04 4.32 4.15 1ojiA1 THR 214 HG23 -0.27 -0.02 -0.24 -0.04 1.22 0.65 1ojiA1 CYS 215 H -0.05 0.25 0.25 -0.55 8.50 8.40 1ojiA1 CYS 215 HA -0.09 0.31 0.86 -0.75 4.58 4.91 1ojiA1 CYS 215 HB2 -0.07 0.03 0.01 -0.04 2.97 2.90 1ojiA1 CYS 215 HB3 -0.10 0.02 -0.05 -0.04 2.97 2.80 1ojiA1 ASN 216 H -0.13 0.55 0.25 -0.55 8.53 8.65 1ojiA1 ASN 216 HA -0.10 0.23 0.66 -0.75 4.76 4.80 1ojiA1 ASN 216 HB2 -0.10 -0.04 0.19 -0.04 2.88 2.89 1ojiA1 ASN 216 HB3 -0.10 0.01 0.11 -0.04 2.79 2.77 1ojiA1 ASN 216 HD21 -0.10 -0.04 -0.03 -0.04 7.03 6.82 1ojiA1 ASN 216 HD22 -0.08 0.01 0.00 -0.04 7.74 7.62 1ojiA1 LYS 217 H -0.14 0.05 -0.53 -0.55 8.42 7.25 1ojiA1 LYS 217 HA -0.12 0.15 0.79 -0.75 4.32 4.38 1ojiA1 LYS 217 HB2 -0.17 0.02 -0.21 -0.04 1.87 1.47 1ojiA1 LYS 217 HB3 -0.13 0.06 -0.04 -0.04 1.79 1.64 1ojiA1 LYS 217 HG2 -0.50 -0.10 -0.24 -0.04 1.46 0.58 1ojiA1 LYS 217 HG3 -1.54 -0.02 -0.15 -0.04 1.46 -0.28 1ojiA1 LYS 217 HD2 -0.45 -0.01 -0.06 -0.04 1.69 1.13 1ojiA1 LYS 217 HD3 -0.25 0.16 -0.08 -0.04 1.68 1.46 1ojiA1 LYS 217 HE2 -0.40 -0.05 -0.15 -0.04 2.99 2.35 1ojiA1 LYS 217 HE3 -0.57 -0.04 -0.08 -0.04 2.99 2.26 1ojiA1 LYS 218 H -0.03 0.14 0.10 -0.55 8.42 8.07 1ojiA1 LYS 218 HA -0.02 0.09 0.75 -0.75 4.32 4.38 1ojiA1 LYS 218 HB2 0.00 -0.03 0.13 -0.04 1.87 1.93 1ojiA1 LYS 218 HB3 0.00 0.03 0.02 -0.04 1.79 1.80 1ojiA1 LYS 218 HG2 -0.02 0.02 -0.00 -0.04 1.46 1.42 1ojiA1 LYS 218 HG3 -0.03 -0.01 -0.08 -0.04 1.46 1.31 1ojiA1 LYS 218 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.63 1ojiA1 LYS 218 HD3 -0.00 0.02 -0.00 -0.04 1.68 1.65 1ojiA1 LYS 218 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.91 1ojiA1 LYS 218 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.91 1ojiA1 GLY 219 H -0.01 0.07 0.18 -0.55 8.43 8.12 1ojiA1 GLY 219 HA2 -0.00 0.15 0.33 -0.51 4.01 3.97 1ojiA1 GLY 219 HA3 0.03 0.04 0.20 -0.51 4.01 3.76 1ojiA1 LEU 220 H 0.04 0.06 0.18 -0.55 8.37 8.11 1ojiA1 LEU 220 HA 0.01 0.25 0.67 -0.75 4.35 4.53 1ojiA1 LEU 220 HB2 -0.00 -0.00 0.05 -0.04 1.64 1.64 1ojiA1 LEU 220 HB3 0.02 -0.07 0.07 -0.04 1.64 1.62 1ojiA1 LEU 220 HG -0.02 0.02 -0.17 -0.04 1.64 1.43 1ojiA1 LEU 220 HD13 -0.01 0.02 -0.21 -0.04 0.93 0.69 1ojiA1 LEU 220 HD23 -0.02 -0.01 -0.42 -0.04 0.89 0.40 1ojiA1 TYR 221 H 0.10 0.72 0.32 -0.55 8.29 8.89 1ojiA1 TYR 221 HA -0.02 0.13 0.79 -0.75 4.56 4.71 1ojiA1 TYR 221 HB2 -0.03 0.07 -0.25 -0.04 3.06 2.81 1ojiA1 TYR 221 HB3 -0.04 -0.03 -0.00 -0.04 2.98 2.86 1ojiA1 TYR 221 HD2 -0.03 -0.01 -0.20 -0.04 7.15 6.87 1ojiA1 TYR 221 HE2 -0.02 -0.07 -0.10 -0.04 6.85 6.61 1ojiA1 LEU 222 H -0.39 0.17 0.09 -0.55 8.37 7.69 1ojiA1 LEU 222 HA -0.15 0.40 0.95 -0.75 4.35 4.79 1ojiA1 LEU 222 HB2 -0.24 -0.04 0.14 -0.04 1.64 1.45 1ojiA1 LEU 222 HB3 -0.15 -0.00 -0.05 -0.04 1.64 1.40 1ojiA1 LEU 222 HG -0.08 0.05 -0.14 -0.04 1.64 1.42 1ojiA1 LEU 222 HD13 -0.10 -0.03 -0.10 -0.04 0.93 0.67 1ojiA1 LEU 222 HD23 -0.07 -0.01 -0.09 -0.04 0.89 0.68 1ojiA1 CYS 223 H -0.08 0.48 0.21 -0.55 8.50 8.56 1ojiA1 CYS 223 HA -0.01 0.09 0.53 -0.75 4.58 4.43 1ojiA1 CYS 223 HB2 0.13 -0.09 -0.25 -0.04 2.97 2.72 1ojiA1 CYS 223 HB3 0.22 0.05 -0.13 -0.04 2.97 3.07 1ojiA1 GLU 224 H 0.03 0.18 0.15 -0.55 8.60 8.41 1ojiA1 GLU 224 HA -0.02 0.27 0.80 -0.75 4.29 4.58 1ojiA1 GLU 224 HB2 -0.02 0.03 0.06 -0.04 2.09 2.12 1ojiA1 GLU 224 HB3 -0.04 0.07 -0.10 -0.04 1.99 1.87 1ojiA1 GLU 224 HG2 -0.00 -0.03 0.05 -0.04 2.34 2.32 1ojiA1 GLU 224 HG3 0.00 -0.06 -0.18 -0.04 2.34 2.06 1ojiA1 GLY 225 H -0.01 0.26 0.10 -0.55 8.43 8.24 1ojiA1 GLY 225 HA2 0.00 0.13 0.33 -0.51 4.01 3.96 1ojiA1 GLY 225 HA3 0.01 0.01 0.42 -0.51 4.01 3.93 1ojiA1 GLU 226 H 0.02 0.19 0.22 -0.55 8.60 8.47 1ojiA1 GLU 226 HA 0.02 0.06 0.25 -0.75 4.29 3.87 1ojiA1 GLU 226 HB2 0.02 0.01 0.14 -0.04 2.09 2.22 1ojiA1 GLU 226 HB3 0.02 0.08 -0.08 -0.04 1.99 1.97 1ojiA1 GLU 226 HG2 0.03 0.00 0.03 -0.04 2.34 2.35 1ojiA1 GLU 226 HG3 0.02 0.05 0.00 -0.04 2.34 2.37 1ojiA1 GLU 227 H 0.03 0.39 -0.29 -0.55 8.60 8.18 1ojiA1 GLU 227 HA 0.02 0.05 0.39 -0.75 4.29 3.99 1ojiA1 GLU 227 HB2 0.07 0.09 0.04 -0.04 2.09 2.25 1ojiA1 GLU 227 HB3 0.12 -0.03 0.00 -0.04 1.99 2.05 1ojiA1 GLU 227 HG2 0.04 0.02 0.03 -0.04 2.34 2.39 1ojiA1 GLU 227 HG3 0.05 0.01 0.08 -0.04 2.34 2.44 1ojiA1 CYS 228 H 0.02 0.42 -0.55 -0.55 8.50 7.84 1ojiA1 CYS 228 HA 0.00 0.05 0.40 -0.75 4.58 4.27 1ojiA1 CYS 228 HB2 0.01 0.07 -0.11 -0.04 2.97 2.90 1ojiA1 CYS 228 HB3 0.00 0.14 0.06 -0.04 2.97 3.13 1ojiA1 ALA 229 H 0.02 0.34 -0.43 -0.55 8.40 7.79 1ojiA1 ALA 229 HA 0.06 0.21 0.54 -0.75 4.34 4.40 1ojiA1 ALA 229 HB3 0.06 -0.00 0.08 -0.04 1.41 1.50 1ojiA1 PHE 230 H 0.21 0.13 0.15 -0.55 8.34 8.27 1ojiA1 PHE 230 HA 0.00 0.11 0.24 -0.75 4.62 4.22 1ojiA1 PHE 230 HB2 0.01 0.03 0.15 -0.04 3.15 3.30 1ojiA1 PHE 230 HB3 0.01 -0.01 0.11 -0.04 3.06 3.13 1ojiA1 PHE 230 HD2 0.01 0.03 -0.09 -0.04 7.28 7.19 1ojiA1 PHE 230 HE2 0.01 -0.00 0.02 -0.04 7.38 7.37 1ojiA1 PHE 230 HZ 0.01 0.00 0.06 -0.04 7.32 7.35 1ojiA1 GLU 231 H 0.12 0.03 -0.24 -0.55 8.60 7.96 1ojiA1 GLU 231 HA -0.02 0.14 0.64 -0.75 4.29 4.30 1ojiA1 GLU 231 HB2 0.06 -0.02 0.04 -0.04 2.09 2.13 1ojiA1 GLU 231 HB3 0.05 0.03 0.15 -0.04 1.99 2.18 1ojiA1 GLU 231 HG2 0.23 -0.11 -0.05 -0.04 2.34 2.38 1ojiA1 GLU 231 HG3 0.10 0.00 0.00 -0.04 2.34 2.41 1ojiA1 GLY 232 H -0.05 0.49 -0.61 -0.55 8.43 7.71 1ojiA1 GLY 232 HA2 -0.02 -0.02 0.33 -0.51 4.01 3.79 1ojiA1 GLY 232 HA3 -0.03 0.13 0.29 -0.51 4.01 3.90 1ojiA1 VAL 233 H -0.05 0.58 0.26 -0.55 8.24 8.48 1ojiA1 VAL 233 HA -0.11 0.17 0.41 -0.75 4.13 3.85 1ojiA1 VAL 233 HB -0.24 -0.12 0.05 -0.04 2.12 1.78 1ojiA1 VAL 233 HG13 -0.15 -0.00 -0.03 -0.04 0.97 0.75 1ojiA1 VAL 233 HG23 -0.11 0.05 -0.12 -0.04 0.95 0.73 1ojiA1 CYS 234 H -0.09 0.20 -0.07 -0.55 8.50 7.99 1ojiA1 CYS 234 HA -0.08 0.20 1.06 -0.75 4.58 5.01 1ojiA1 CYS 234 HB2 -0.09 0.05 -0.09 -0.04 2.97 2.80 1ojiA1 CYS 234 HB3 -0.07 0.08 -0.08 -0.04 2.97 2.86 1ojiA1 ASP 235 H -0.03 0.55 0.13 -0.55 8.40 8.51 1ojiA1 ASP 235 HA -0.16 0.06 0.57 -0.75 4.63 4.35 1ojiA1 ASP 235 HB2 -0.02 0.12 -0.15 -0.04 2.71 2.62 1ojiA1 ASP 235 HB3 0.07 -0.03 0.23 -0.04 2.70 2.92 1ojiA1 LYS 236 H -0.21 0.28 0.11 -0.55 8.42 8.05 1ojiA1 LYS 236 HA -0.03 0.13 0.21 -0.75 4.32 3.88 1ojiA1 LYS 236 HB2 0.04 -0.08 0.09 -0.04 1.87 1.87 1ojiA1 LYS 236 HB3 0.03 -0.01 -0.02 -0.04 1.79 1.74 1ojiA1 LYS 236 HG2 -0.09 0.12 -0.06 -0.04 1.46 1.40 1ojiA1 LYS 236 HG3 -0.13 0.10 -0.03 -0.04 1.46 1.36 1ojiA1 LYS 236 HD2 0.20 -0.11 -0.03 -0.04 1.69 1.70 1ojiA1 LYS 236 HD3 0.06 -0.03 -0.03 -0.04 1.68 1.64 1ojiA1 LYS 236 HE2 0.01 -0.01 -0.41 -0.04 2.99 2.53 1ojiA1 LYS 236 HE3 0.09 -0.14 -0.02 -0.04 2.99 2.87 1ojiA1 ASN 237 H -0.02 -0.01 -0.11 -0.55 8.53 7.84 1ojiA1 ASN 237 HA 0.02 0.10 0.30 -0.75 4.76 4.42 1ojiA1 ASN 237 HB2 0.05 -0.12 0.04 -0.04 2.88 2.81 1ojiA1 ASN 237 HB3 0.04 0.11 -0.01 -0.04 2.79 2.89 1ojiA1 ASN 237 HD21 0.24 -0.01 0.03 -0.04 7.03 7.25 1ojiA1 ASN 237 HD22 0.18 0.05 0.04 -0.04 7.74 7.97 1ojiA1 GLY 238 H -0.10 -0.11 -0.29 -0.55 8.43 7.38 1ojiA1 GLY 238 HA2 -0.48 0.01 0.40 -0.51 4.01 3.43 1ojiA1 GLY 238 HA3 -1.09 0.13 0.19 -0.51 4.01 2.74 1ojiA1 CYS 239 H -0.41 0.45 0.17 -0.55 8.50 8.16 1ojiA1 CYS 239 HA -0.20 0.16 0.95 -0.75 4.58 4.73 1ojiA1 CYS 239 HB2 -1.00 -0.09 0.03 -0.04 2.97 1.87 1ojiA1 CYS 239 HB3 -0.68 -0.02 0.20 -0.04 2.97 2.42 1ojiA1 GLY 240 H 0.02 0.20 0.03 -0.55 8.43 8.13 1ojiA1 GLY 240 HA2 -0.13 0.14 0.28 -0.51 4.01 3.78 1ojiA1 GLY 240 HA3 0.15 0.04 0.24 -0.51 4.01 3.93 1ojiA1 TRP 241 H -0.03 0.67 0.42 -0.55 7.97 8.48 1ojiA1 TRP 241 HA 0.10 0.10 0.83 -0.75 4.62 4.89 1ojiA1 TRP 241 HB2 -0.07 -0.01 0.03 -0.04 3.23 3.14 1ojiA1 TRP 241 HB3 -0.08 0.04 0.31 -0.04 3.23 3.46 1ojiA1 TRP 241 HD1 0.00 0.02 -0.03 -0.04 7.22 7.17 1ojiA1 TRP 241 HE1 -0.30 0.06 0.00 -0.04 10.20 9.92 1ojiA1 TRP 241 HE3 -0.79 0.07 -0.06 -0.04 7.59 6.76 1ojiA1 TRP 241 HZ2 -0.83 0.17 -0.19 -0.04 7.44 6.54 1ojiA1 TRP 241 HZ3 -1.14 0.01 -0.15 -0.04 7.13 5.81 1ojiA1 TRP 241 HH2 -0.49 0.08 -0.25 -0.04 7.19 6.49 1ojiA1 ASN 242 H -0.17 0.23 -0.00 -0.55 8.53 8.04 1ojiA1 ASN 242 HA -0.11 0.29 0.88 -0.75 4.76 5.07 1ojiA1 ASN 242 HB2 0.21 0.08 -0.14 -0.04 2.88 2.99 1ojiA1 ASN 242 HB3 0.10 -0.05 0.06 -0.04 2.79 2.86 1ojiA1 ASN 242 HD21 0.07 0.43 0.14 -0.04 7.03 7.64 1ojiA1 ASN 242 HD22 0.18 -0.01 0.00 -0.04 7.74 7.87 1ojiA1 ASN 243 H -0.53 0.24 0.15 -0.55 8.53 7.84 1ojiA1 ASN 243 HA -1.11 0.01 0.34 -0.75 4.76 3.25 1ojiA1 ASN 243 HB2 -0.98 0.06 0.12 -0.04 2.88 2.03 1ojiA1 ASN 243 HB3 -2.09 -0.01 0.15 -0.04 2.79 0.79 1ojiA1 ASN 243 HD21 -0.65 0.06 0.09 -0.04 7.03 6.49 1ojiA1 ASN 243 HD22 -0.74 0.62 0.10 -0.04 7.74 7.68 1ojiA1 TYR 244 H -0.10 0.13 -0.18 -0.55 8.29 7.59 1ojiA1 TYR 244 HA -0.11 0.02 0.21 -0.75 4.56 3.93 1ojiA1 TYR 244 HB2 -0.07 0.13 -0.10 -0.04 3.06 2.97 1ojiA1 TYR 244 HB3 -0.06 0.08 -0.32 -0.04 2.98 2.64 1ojiA1 TYR 244 HD2 -0.05 -0.01 0.01 -0.04 7.15 7.06 1ojiA1 TYR 244 HE2 0.02 0.12 0.14 -0.04 6.85 7.08 1ojiA1 ARG 245 H -0.01 0.47 -0.13 -0.55 8.46 8.24 1ojiA1 ARG 245 HA 0.05 0.25 0.53 -0.75 4.34 4.42 1ojiA1 ARG 245 HB2 0.05 0.05 0.12 -0.04 1.90 2.08 1ojiA1 ARG 245 HB3 0.09 -0.05 0.05 -0.04 1.80 1.85 1ojiA1 ARG 245 HG2 0.09 -0.02 -0.09 -0.04 1.67 1.60 1ojiA1 ARG 245 HG3 0.11 -0.01 -0.06 -0.04 1.67 1.67 1ojiA1 ARG 245 HD2 0.21 -0.06 -0.09 -0.04 3.22 3.23 1ojiA1 ARG 245 HD3 0.15 -0.01 -0.03 -0.04 3.22 3.29 1ojiA1 VAL 246 H -0.12 0.39 -0.32 -0.55 8.24 7.64 1ojiA1 VAL 246 HA 0.05 0.20 0.78 -0.75 4.13 4.40 1ojiA1 VAL 246 HB 0.04 -0.23 0.21 -0.04 2.12 2.10 1ojiA1 VAL 246 HG13 0.11 0.01 -0.14 -0.04 0.97 0.91 1ojiA1 VAL 246 HG23 -0.24 0.01 -0.11 -0.04 0.95 0.57 1ojiA1 ASN 247 H -0.03 0.42 -0.26 -0.55 8.53 8.11 1ojiA1 ASN 247 HA -0.01 0.05 0.27 -0.75 4.76 4.32 1ojiA1 ASN 247 HB2 0.02 -0.04 -0.20 -0.04 2.88 2.61 1ojiA1 ASN 247 HB3 0.02 0.32 -0.25 -0.04 2.79 2.84 1ojiA1 ASN 247 HD21 0.01 -0.14 0.13 -0.04 7.03 6.99 1ojiA1 ASN 247 HD22 0.02 0.61 0.31 -0.04 7.74 8.64 1ojiA1 VAL 248 H -0.21 0.51 -0.19 -0.55 8.24 7.80 1ojiA1 VAL 248 HA -0.10 0.12 0.70 -0.75 4.13 4.09 1ojiA1 VAL 248 HB -0.54 -0.08 0.11 -0.04 2.12 1.58 1ojiA1 VAL 248 HG13 -0.14 -0.05 -0.05 -0.04 0.97 0.68 1ojiA1 VAL 248 HG23 -0.06 0.05 -0.10 -0.04 0.95 0.79 1ojiA1 THR 249 H -0.11 0.17 0.05 -0.55 8.28 7.85 1ojiA1 THR 249 HA -0.58 0.23 0.59 -0.75 4.39 3.88 1ojiA1 THR 249 HB 0.13 0.04 0.08 -0.04 4.32 4.52 1ojiA1 THR 249 HG23 0.05 0.02 -0.15 -0.04 1.22 1.10 1ojiA1 ASP 250 H -0.08 0.04 -0.05 -0.55 8.40 7.76 1ojiA1 ASP 250 HA -0.06 0.28 0.82 -0.75 4.63 4.92 1ojiA1 ASP 250 HB2 -0.14 0.20 0.25 -0.04 2.71 2.98 1ojiA1 ASP 250 HB3 -0.13 0.00 0.03 -0.04 2.70 2.57 1ojiA1 TYR 251 H 0.01 0.17 -0.28 -0.55 8.29 7.65 1ojiA1 TYR 251 HA 0.01 0.11 0.65 -0.75 4.56 4.57 1ojiA1 TYR 251 HB2 -0.20 -0.03 0.01 -0.04 3.06 2.80 1ojiA1 TYR 251 HB3 -0.26 0.05 0.04 -0.04 2.98 2.77 1ojiA1 TYR 251 HD2 0.05 0.01 -0.05 -0.04 7.15 7.12 1ojiA1 TYR 251 HE2 0.34 0.15 -0.04 -0.04 6.85 7.25 1ojiA1 TYR 252 H 0.14 0.22 -0.06 -0.55 8.29 8.05 1ojiA1 TYR 252 HA -0.29 0.25 0.87 -0.75 4.56 4.64 1ojiA1 TYR 252 HB2 -0.12 -0.03 -0.24 -0.04 3.06 2.63 1ojiA1 TYR 252 HB3 -0.08 -0.04 0.05 -0.04 2.98 2.87 1ojiA1 TYR 252 HD2 -0.35 0.03 -0.33 -0.04 7.15 6.46 1ojiA1 TYR 252 HE2 -0.02 0.00 -0.34 -0.04 6.85 6.45 1ojiA1 GLY 253 H -0.71 0.62 0.30 -0.55 8.43 8.09 1ojiA1 GLY 253 HA2 -0.66 0.22 0.44 -0.51 4.01 3.49 1ojiA1 GLY 253 HA3 -2.17 0.07 0.41 -0.51 4.01 1.80 1ojiA1 ARG 254 H -0.48 0.20 0.18 -0.55 8.46 7.80 1ojiA1 ARG 254 HA -0.13 -0.09 0.67 -0.75 4.34 4.03 1ojiA1 ARG 254 HB2 -0.06 -0.00 0.20 -0.04 1.90 2.00 1ojiA1 ARG 254 HB3 -0.03 -0.01 0.03 -0.04 1.80 1.76 1ojiA1 ARG 254 HG2 -0.07 0.03 -0.08 -0.04 1.67 1.50 1ojiA1 ARG 254 HG3 -0.14 0.19 -0.02 -0.04 1.67 1.66 1ojiA1 ARG 254 HD2 -0.04 -0.00 -0.06 -0.04 3.22 3.08 1ojiA1 ARG 254 HD3 -0.04 -0.04 0.01 -0.04 3.22 3.11 1ojiA1 GLY 255 H 0.02 0.04 0.18 -0.55 8.43 8.12 1ojiA1 GLY 255 HA2 0.07 0.01 0.36 -0.51 4.01 3.94 1ojiA1 GLY 255 HA3 0.19 0.21 0.80 -0.51 4.01 4.70 1ojiA1 GLU 256 H 0.03 0.16 0.14 -0.55 8.60 8.38 1ojiA1 GLU 256 HA 0.01 0.17 0.36 -0.75 4.29 4.08 1ojiA1 GLU 256 HB2 -0.00 -0.04 0.12 -0.04 2.09 2.12 1ojiA1 GLU 256 HB3 -0.01 0.06 0.02 -0.04 1.99 2.02 1ojiA1 GLU 256 HG2 0.00 0.07 0.05 -0.04 2.34 2.42 1ojiA1 GLU 256 HG3 0.01 -0.05 0.03 -0.04 2.34 2.29 1ojiA1 GLU 257 H -0.04 -0.01 -0.38 -0.55 8.60 7.62 1ojiA1 GLU 257 HA -0.14 0.11 0.50 -0.75 4.29 4.01 1ojiA1 GLU 257 HB2 -0.31 0.01 0.07 -0.04 2.09 1.82 1ojiA1 GLU 257 HB3 -0.16 -0.05 0.02 -0.04 1.99 1.76 1ojiA1 GLU 257 HG2 -0.89 0.10 -0.37 -0.04 2.34 1.14 1ojiA1 GLU 257 HG3 -0.54 0.01 -0.11 -0.04 2.34 1.65 1ojiA1 PHE 258 H 0.04 0.28 -0.63 -0.55 8.34 7.48 1ojiA1 PHE 258 HA -0.09 0.27 0.50 -0.75 4.62 4.55 1ojiA1 PHE 258 HB2 -0.15 0.20 -0.24 -0.04 3.15 2.91 1ojiA1 PHE 258 HB3 -0.18 -0.04 -0.45 -0.04 3.06 2.35 1ojiA1 PHE 258 HD2 -0.07 -0.09 -0.63 -0.04 7.28 6.45 1ojiA1 PHE 258 HE2 0.01 0.20 -0.08 -0.04 7.38 7.47 1ojiA1 PHE 258 HZ 0.04 -0.01 -0.03 -0.04 7.32 7.28 1ojiA1 LYS 259 H -0.04 0.27 0.17 -0.55 8.42 8.26 1ojiA1 LYS 259 HA -0.07 0.04 0.34 -0.75 4.32 3.87 1ojiA1 LYS 259 HB2 -0.47 0.06 0.18 -0.04 1.87 1.60 1ojiA1 LYS 259 HB3 -0.09 -0.06 0.09 -0.04 1.79 1.69 1ojiA1 LYS 259 HG2 -0.01 0.09 0.10 -0.04 1.46 1.60 1ojiA1 LYS 259 HG3 0.08 -0.10 0.11 -0.04 1.46 1.51 1ojiA1 LYS 259 HD2 0.18 -0.03 0.01 -0.04 1.69 1.80 1ojiA1 LYS 259 HD3 0.05 -0.01 0.02 -0.04 1.68 1.70 1ojiA1 LYS 259 HE2 0.06 -0.05 -0.01 -0.04 2.99 2.96 1ojiA1 LYS 259 HE3 0.02 0.03 -0.03 -0.04 2.99 2.97 1ojiA1 VAL 260 H -0.39 0.76 0.15 -0.55 8.24 8.21 1ojiA1 VAL 260 HA -0.33 0.12 0.85 -0.75 4.13 4.02 1ojiA1 VAL 260 HB -0.59 -0.08 0.17 -0.04 2.12 1.58 1ojiA1 VAL 260 HG13 -1.04 -0.00 -0.15 -0.04 0.97 -0.27 1ojiA1 VAL 260 HG23 -0.79 0.01 -0.05 -0.04 0.95 0.09 1ojiA1 ASN 261 H -0.21 0.19 0.01 -0.55 8.53 7.98 1ojiA1 ASN 261 HA -0.15 0.36 0.76 -0.75 4.76 4.98 1ojiA1 ASN 261 HB2 -0.02 0.23 -0.08 -0.04 2.88 2.97 1ojiA1 ASN 261 HB3 -0.04 -0.01 0.15 -0.04 2.79 2.85 1ojiA1 ASN 261 HD21 0.01 -0.03 -0.08 -0.04 7.03 6.88 1ojiA1 ASN 261 HD22 0.01 0.08 -0.04 -0.04 7.74 7.74 1ojiA1 THR 262 H -0.32 0.70 0.24 -0.55 8.28 8.36 1ojiA1 THR 262 HA 0.13 0.18 0.29 -0.75 4.39 4.24 1ojiA1 THR 262 HB 0.02 -0.06 0.04 -0.04 4.32 4.28 1ojiA1 THR 262 HG23 -0.83 0.03 -0.12 -0.04 1.22 0.26 1ojiA1 LEU 263 H -0.03 -0.02 -0.30 -0.55 8.37 7.47 1ojiA1 LEU 263 HA 0.02 0.14 0.75 -0.75 4.35 4.50 1ojiA1 LEU 263 HB2 0.01 -0.01 0.01 -0.04 1.64 1.60 1ojiA1 LEU 263 HB3 0.01 0.03 0.10 -0.04 1.64 1.74 1ojiA1 LEU 263 HG -0.02 -0.18 0.07 -0.04 1.64 1.47 1ojiA1 LEU 263 HD13 0.02 0.00 -0.04 -0.04 0.93 0.87 1ojiA1 LEU 263 HD23 0.00 0.05 0.01 -0.04 0.89 0.91 1ojiA1 LYS 264 H 0.06 0.49 0.01 -0.55 8.42 8.43 1ojiA1 LYS 264 HA 0.05 0.16 0.91 -0.75 4.32 4.68 1ojiA1 LYS 264 HB2 0.07 0.09 0.13 -0.04 1.87 2.11 1ojiA1 LYS 264 HB3 0.05 -0.01 0.15 -0.04 1.79 1.94 1ojiA1 LYS 264 HG2 0.03 0.07 -0.29 -0.04 1.46 1.22 1ojiA1 LYS 264 HG3 0.03 -0.08 -0.09 -0.04 1.46 1.27 1ojiA1 LYS 264 HD2 0.03 0.01 0.03 -0.04 1.69 1.71 1ojiA1 LYS 264 HD3 0.02 -0.04 -0.02 -0.04 1.68 1.60 1ojiA1 LYS 264 HE2 0.02 -0.02 0.00 -0.04 2.99 2.94 1ojiA1 LYS 264 HE3 0.03 0.05 0.03 -0.04 2.99 3.06 1ojiA1 PRO 265 HA -0.09 0.19 0.71 -0.51 4.44 4.74 1ojiA1 PRO 265 HB2 0.01 -0.06 0.06 -0.04 2.28 2.25 1ojiA1 PRO 265 HB3 -0.05 0.06 0.12 -0.04 2.02 2.12 1ojiA1 PRO 265 HG2 0.01 0.01 0.09 -0.04 2.03 2.09 1ojiA1 PRO 265 HG3 -0.01 0.02 0.10 -0.04 2.03 2.10 1ojiA1 PRO 265 HD2 0.04 0.06 0.24 -0.04 3.68 3.97 1ojiA1 PRO 265 HD3 0.03 0.16 0.23 -0.04 3.65 4.03 1ojiA1 PHE 266 H -0.42 0.47 0.44 -0.55 8.34 8.28 1ojiA1 PHE 266 HA 0.01 0.02 0.43 -0.75 4.62 4.33 1ojiA1 PHE 266 HB2 0.06 0.03 0.22 -0.04 3.15 3.42 1ojiA1 PHE 266 HB3 0.01 0.09 0.18 -0.04 3.06 3.29 1ojiA1 PHE 266 HD2 0.09 0.23 -0.32 -0.04 7.28 7.23 1ojiA1 PHE 266 HE2 0.28 -0.02 -0.16 -0.04 7.38 7.43 1ojiA1 PHE 266 HZ 0.66 0.03 -0.18 -0.04 7.32 7.79 1ojiA1 THR 267 H 0.23 0.73 0.46 -0.55 8.28 9.15 1ojiA1 THR 267 HA -0.15 0.26 1.02 -0.75 4.39 4.77 1ojiA1 THR 267 HB 0.02 -0.13 0.17 -0.04 4.32 4.35 1ojiA1 THR 267 HG23 -0.09 0.01 -0.21 -0.04 1.22 0.88 1ojiA1 VAL 268 H -0.50 0.79 0.37 -0.55 8.24 8.36 1ojiA1 VAL 268 HA -0.24 0.16 0.96 -0.75 4.13 4.25 1ojiA1 VAL 268 HB -1.40 -0.03 0.17 -0.04 2.12 0.82 1ojiA1 VAL 268 HG13 0.01 0.00 -0.14 -0.04 0.97 0.80 1ojiA1 VAL 268 HG23 -0.28 0.01 -0.17 -0.04 0.95 0.47 1ojiA1 VAL 269 H -0.64 0.76 0.35 -0.55 8.24 8.17 1ojiA1 VAL 269 HA -0.29 0.18 0.98 -0.75 4.13 4.24 1ojiA1 VAL 269 HB -1.78 -0.04 0.08 -0.04 2.12 0.34 1ojiA1 VAL 269 HG13 -0.45 -0.03 -0.22 -0.04 0.97 0.23 1ojiA1 VAL 269 HG23 -0.67 -0.01 -0.25 -0.04 0.95 -0.01 1ojiA1 THR 270 H -0.06 0.67 0.32 -0.55 8.28 8.66 1ojiA1 THR 270 HA -0.31 0.31 1.08 -0.75 4.39 4.72 1ojiA1 THR 270 HB 0.10 -0.02 0.21 -0.04 4.32 4.57 1ojiA1 THR 270 HG23 -0.39 -0.02 -0.10 -0.04 1.22 0.67 1ojiA1 GLN 271 H -0.27 0.69 0.36 -0.55 8.47 8.70 1ojiA1 GLN 271 HA -0.01 0.18 0.99 -0.75 4.36 4.76 1ojiA1 GLN 271 HB2 0.08 -0.05 0.15 -0.04 2.15 2.29 1ojiA1 GLN 271 HB3 0.08 0.00 -0.04 -0.04 2.02 2.02 1ojiA1 GLN 271 HG2 0.13 -0.04 -0.07 -0.04 2.40 2.38 1ojiA1 GLN 271 HG3 0.02 0.03 -0.17 -0.04 2.39 2.24 1ojiA1 GLN 271 HE21 0.30 0.05 -0.05 -0.04 6.97 7.23 1ojiA1 GLN 271 HE22 0.32 -0.18 -0.02 -0.04 7.69 7.77 1ojiA1 PHE 272 H 0.18 0.70 0.27 -0.55 8.34 8.94 1ojiA1 PHE 272 HA 0.02 0.15 0.90 -0.75 4.62 4.94 1ojiA1 PHE 272 HB2 0.10 0.28 0.32 -0.04 3.15 3.82 1ojiA1 PHE 272 HB3 0.06 -0.11 0.04 -0.04 3.06 3.00 1ojiA1 PHE 272 HD2 0.09 0.09 -0.06 -0.04 7.28 7.36 1ojiA1 PHE 272 HE2 0.08 -0.01 -0.11 -0.04 7.38 7.30 1ojiA1 PHE 272 HZ 0.03 0.02 -0.12 -0.04 7.32 7.20 1ojiA1 LEU 273 H 0.02 0.60 0.25 -0.55 8.37 8.70 1ojiA1 LEU 273 HA 0.02 0.10 0.57 -0.75 4.35 4.28 1ojiA1 LEU 273 HB2 -0.03 -0.08 0.15 -0.04 1.64 1.64 1ojiA1 LEU 273 HB3 -0.02 0.06 0.01 -0.04 1.64 1.65 1ojiA1 LEU 273 HG -0.01 0.01 -0.20 -0.04 1.64 1.40 1ojiA1 LEU 273 HD13 -0.07 -0.00 -0.09 -0.04 0.93 0.73 1ojiA1 LEU 273 HD23 0.03 0.02 -0.12 -0.04 0.89 0.78 1ojiA1 ALA 274 H -0.00 0.22 0.24 -0.55 8.40 8.31 1ojiA1 ALA 274 HA 0.02 0.11 0.84 -0.75 4.34 4.55 1ojiA1 ALA 274 HB3 0.01 -0.01 -0.25 -0.04 1.41 1.11 1ojiA1 ASN 275 H 0.00 0.77 0.23 -0.55 8.53 8.99 1ojiA1 ASN 275 HA -0.01 0.17 0.63 -0.75 4.76 4.80 1ojiA1 ASN 275 HB2 -0.00 -0.08 0.20 -0.04 2.88 2.96 1ojiA1 ASN 275 HB3 -0.00 0.06 0.09 -0.04 2.79 2.89 1ojiA1 ASN 275 HD21 0.00 0.03 -0.03 -0.04 7.03 6.99 1ojiA1 ASN 275 HD22 0.00 0.04 -0.01 -0.04 7.74 7.73 1ojiA1 ARG 276 H -0.00 0.15 0.16 -0.55 8.46 8.21 1ojiA1 ARG 276 HA -0.01 0.16 0.44 -0.75 4.34 4.18 1ojiA1 ARG 276 HB2 -0.00 -0.04 0.13 -0.04 1.90 1.95 1ojiA1 ARG 276 HB3 -0.00 0.06 0.07 -0.04 1.80 1.89 1ojiA1 ARG 276 HG2 -0.01 0.06 0.06 -0.04 1.67 1.74 1ojiA1 ARG 276 HG3 -0.01 -0.04 0.07 -0.04 1.67 1.66 1ojiA1 ARG 276 HD2 -0.00 0.03 0.03 -0.04 3.22 3.23 1ojiA1 ARG 276 HD3 -0.00 0.01 0.03 -0.04 3.22 3.22 1ojiA1 ARG 277 H -0.00 -0.02 -0.25 -0.55 8.46 7.63 1ojiA1 ARG 277 HA 0.00 0.26 0.80 -0.75 4.34 4.65 1ojiA1 ARG 277 HB2 0.00 -0.08 0.02 -0.04 1.90 1.80 1ojiA1 ARG 277 HB3 0.00 0.07 0.12 -0.04 1.80 1.95 1ojiA1 ARG 277 HG2 0.00 0.09 -0.04 -0.04 1.67 1.68 1ojiA1 ARG 277 HG3 -0.00 -0.12 -0.10 -0.04 1.67 1.40 1ojiA1 ARG 277 HD2 -0.00 0.04 -0.00 -0.04 3.22 3.22 1ojiA1 ARG 277 HD3 -0.00 0.02 -0.02 -0.04 3.22 3.18 1ojiA1 GLY 278 H -0.00 0.46 -0.44 -0.55 8.43 7.91 1ojiA1 GLY 278 HA2 0.00 0.08 0.18 -0.51 4.01 3.76 1ojiA1 GLY 278 HA3 0.01 0.14 0.40 -0.51 4.01 4.05 1ojiA1 LYS 279 H 0.01 -0.08 -0.28 -0.55 8.42 7.51 1ojiA1 LYS 279 HA 0.01 0.24 0.76 -0.75 4.32 4.58 1ojiA1 LYS 279 HB2 0.00 -0.11 -0.03 -0.04 1.87 1.69 1ojiA1 LYS 279 HB3 0.00 0.06 0.03 -0.04 1.79 1.84 1ojiA1 LYS 279 HG2 0.00 -0.05 -0.20 -0.04 1.46 1.17 1ojiA1 LYS 279 HG3 -0.00 -0.01 -0.05 -0.04 1.46 1.36 1ojiA1 LYS 279 HD2 -0.00 0.01 -0.05 -0.04 1.69 1.61 1ojiA1 LYS 279 HD3 0.01 0.09 -0.23 -0.04 1.68 1.51 1ojiA1 LYS 279 HE2 0.00 0.13 -0.09 -0.04 2.99 2.99 1ojiA1 LYS 279 HE3 -0.00 -0.05 -0.05 -0.04 2.99 2.84 1ojiA1 LEU 280 H 0.03 0.19 0.12 -0.55 8.37 8.16 1ojiA1 LEU 280 HA 0.05 0.10 0.42 -0.75 4.35 4.17 1ojiA1 LEU 280 HB2 0.06 0.01 0.11 -0.04 1.64 1.78 1ojiA1 LEU 280 HB3 0.04 0.10 0.07 -0.04 1.64 1.81 1ojiA1 LEU 280 HG 0.08 -0.04 -0.39 -0.04 1.64 1.25 1ojiA1 LEU 280 HD13 0.18 0.05 -0.10 -0.04 0.93 1.01 1ojiA1 LEU 280 HD23 0.13 0.04 -0.13 -0.04 0.89 0.88 1ojiA1 GLU 281 H 0.02 0.68 0.45 -0.55 8.60 9.21 1ojiA1 GLU 281 HA 0.01 0.04 0.75 -0.75 4.29 4.34 1ojiA1 GLU 281 HB2 -0.00 0.01 -0.01 -0.04 2.09 2.05 1ojiA1 GLU 281 HB3 -0.02 0.04 -0.05 -0.04 1.99 1.93 1ojiA1 GLU 281 HG2 -0.01 -0.05 -0.01 -0.04 2.34 2.23 1ojiA1 GLU 281 HG3 -0.00 -0.03 -0.00 -0.04 2.34 2.26 1ojiA1 LYS 282 H -0.00 0.37 0.32 -0.55 8.42 8.56 1ojiA1 LYS 282 HA -0.08 0.38 0.99 -0.75 4.32 4.85 1ojiA1 LYS 282 HB2 -0.08 -0.07 -0.01 -0.04 1.87 1.67 1ojiA1 LYS 282 HB3 -0.16 0.05 -0.08 -0.04 1.79 1.55 1ojiA1 LYS 282 HG2 -0.10 0.04 -0.13 -0.04 1.46 1.23 1ojiA1 LYS 282 HG3 -0.05 -0.08 -0.50 -0.04 1.46 0.78 1ojiA1 LYS 282 HD2 -0.08 -0.02 -0.11 -0.04 1.69 1.44 1ojiA1 LYS 282 HD3 -0.13 0.02 -0.11 -0.04 1.68 1.42 1ojiA1 LYS 282 HE2 -0.04 -0.01 -0.07 -0.04 2.99 2.82 1ojiA1 LYS 282 HE3 -0.06 0.02 -0.06 -0.04 2.99 2.85 1ojiA1 ILE 283 H -0.22 0.58 0.31 -0.55 8.25 8.36 1ojiA1 ILE 283 HA -0.22 0.31 1.07 -0.75 4.18 4.58 1ojiA1 ILE 283 HB -0.26 -0.07 0.17 -0.04 1.89 1.70 1ojiA1 ILE 283 HG12 0.09 0.06 -0.12 -0.04 1.49 1.47 1ojiA1 ILE 283 HG13 -0.01 -0.08 -0.27 -0.04 1.21 0.81 1ojiA1 ILE 283 HG23 -0.32 0.02 -0.09 -0.04 0.93 0.50 1ojiA1 ILE 283 HD13 0.13 0.00 -0.10 -0.04 0.88 0.87 1ojiA1 HIS 284 H -0.19 0.65 0.34 -0.55 8.41 8.67 1ojiA1 HIS 284 HA -0.33 0.15 0.96 -0.75 4.63 4.66 1ojiA1 HIS 284 HB2 -0.16 -0.04 -0.05 -0.04 3.26 2.97 1ojiA1 HIS 284 HB3 -0.10 -0.06 0.18 -0.04 3.20 3.18 1ojiA1 HIS 284 HD2 -0.16 0.22 0.11 -0.04 6.97 7.09 1ojiA1 HIS 284 HE1 -0.30 -0.01 -0.07 -0.04 7.75 7.33 1ojiA1 ARG 285 H -0.17 0.27 0.25 -0.55 8.46 8.26 1ojiA1 ARG 285 HA -0.36 0.45 1.09 -0.75 4.34 4.76 1ojiA1 ARG 285 HB2 -0.07 -0.01 0.01 -0.04 1.90 1.79 1ojiA1 ARG 285 HB3 0.09 -0.06 0.20 -0.04 1.80 2.00 1ojiA1 ARG 285 HG2 0.23 0.00 -0.06 -0.04 1.67 1.79 1ojiA1 ARG 285 HG3 0.03 -0.07 -0.20 -0.04 1.67 1.39 1ojiA1 ARG 285 HD2 -0.81 -0.07 -0.12 -0.04 3.22 2.17 1ojiA1 ARG 285 HD3 -0.61 0.26 0.07 -0.04 3.22 2.91 1ojiA1 PHE 286 H -0.85 0.34 0.28 -0.55 8.34 7.55 1ojiA1 PHE 286 HA -0.10 0.17 0.45 -0.75 4.62 4.39 1ojiA1 PHE 286 HB2 -0.05 0.33 0.26 -0.04 3.15 3.65 1ojiA1 PHE 286 HB3 -0.19 -0.14 0.17 -0.04 3.06 2.85 1ojiA1 PHE 286 HD2 -0.72 0.08 -0.20 -0.04 7.28 6.40 1ojiA1 PHE 286 HE2 -0.60 -0.04 -0.14 -0.04 7.38 6.57 1ojiA1 PHE 286 HZ -0.61 -0.07 -0.11 -0.04 7.32 6.50 1ojiA1 TYR 287 H 0.36 0.67 0.34 -0.55 8.29 9.10 1ojiA1 TYR 287 HA -0.05 0.27 1.13 -0.75 4.56 5.15 1ojiA1 TYR 287 HB2 0.04 -0.01 0.04 -0.04 3.06 3.09 1ojiA1 TYR 287 HB3 0.04 0.04 0.13 -0.04 2.98 3.15 1ojiA1 TYR 287 HD2 0.31 0.07 -0.08 -0.04 7.15 7.41 1ojiA1 TYR 287 HE2 0.59 -0.00 -0.12 -0.04 6.85 7.28 1ojiA1 VAL 288 H 0.17 0.60 0.40 -0.55 8.24 8.86 1ojiA1 VAL 288 HA 0.13 0.26 0.82 -0.75 4.13 4.59 1ojiA1 VAL 288 HB 0.07 -0.06 0.05 -0.04 2.12 2.14 1ojiA1 VAL 288 HG13 0.11 -0.02 -0.29 -0.04 0.97 0.72 1ojiA1 VAL 288 HG23 0.07 0.00 -0.25 -0.04 0.95 0.72 1ojiA1 GLN 289 H 0.09 0.62 0.25 -0.55 8.47 8.88 1ojiA1 GLN 289 HA 0.11 0.08 0.76 -0.75 4.36 4.56 1ojiA1 GLN 289 HB2 0.07 0.01 -0.06 -0.04 2.15 2.13 1ojiA1 GLN 289 HB3 0.02 0.07 0.10 -0.04 2.02 2.17 1ojiA1 GLN 289 HG2 0.04 -0.04 -0.02 -0.04 2.40 2.34 1ojiA1 GLN 289 HG3 0.11 0.13 0.23 -0.04 2.39 2.82 1ojiA1 GLN 289 HE21 0.09 0.30 0.03 -0.04 6.97 7.36 1ojiA1 GLN 289 HE22 0.21 0.60 -0.05 -0.04 7.69 8.41 1ojiA1 ASP 290 H 0.06 0.23 0.15 -0.55 8.40 8.28 1ojiA1 ASP 290 HA 0.03 0.04 0.33 -0.75 4.63 4.28 1ojiA1 ASP 290 HB2 0.03 0.15 0.06 -0.04 2.71 2.91 1ojiA1 ASP 290 HB3 0.02 0.00 0.19 -0.04 2.70 2.88 1ojiA1 GLY 291 H 0.05 0.01 -0.34 -0.55 8.43 7.60 1ojiA1 GLY 291 HA2 0.06 -0.03 0.16 -0.51 4.01 3.68 1ojiA1 GLY 291 HA3 0.04 0.07 0.32 -0.51 4.01 3.93 1ojiA1 LYS 292 H 0.06 0.47 -0.36 -0.55 8.42 8.04 1ojiA1 LYS 292 HA 0.06 0.15 0.97 -0.75 4.32 4.74 1ojiA1 LYS 292 HB2 0.05 0.03 0.03 -0.04 1.87 1.94 1ojiA1 LYS 292 HB3 0.05 0.01 0.00 -0.04 1.79 1.81 1ojiA1 LYS 292 HG2 0.04 0.09 -0.32 -0.04 1.46 1.23 1ojiA1 LYS 292 HG3 0.03 0.01 -0.00 -0.04 1.46 1.46 1ojiA1 LYS 292 HD2 0.03 -0.02 0.00 -0.04 1.69 1.66 1ojiA1 LYS 292 HD3 0.03 -0.02 0.00 -0.04 1.68 1.66 1ojiA1 LYS 292 HE2 0.02 -0.06 0.01 -0.04 2.99 2.92 1ojiA1 LYS 292 HE3 0.02 0.03 -0.00 -0.04 2.99 2.99 1ojiA1 VAL 293 H 0.08 0.15 0.12 -0.55 8.24 8.05 1ojiA1 VAL 293 HA 0.15 0.10 0.73 -0.75 4.13 4.36 1ojiA1 VAL 293 HB 0.07 -0.02 0.14 -0.04 2.12 2.27 1ojiA1 VAL 293 HG13 0.03 -0.00 -0.15 -0.04 0.97 0.81 1ojiA1 VAL 293 HG23 0.20 -0.00 -0.04 -0.04 0.95 1.07 1ojiA1 ILE 294 H 0.18 0.63 0.30 -0.55 8.25 8.81 1ojiA1 ILE 294 HA 0.12 0.12 0.88 -0.75 4.18 4.54 1ojiA1 ILE 294 HB 0.16 -0.10 0.04 -0.04 1.89 1.95 1ojiA1 ILE 294 HG12 -0.04 0.15 -0.07 -0.04 1.49 1.49 1ojiA1 ILE 294 HG13 0.05 0.02 -0.16 -0.04 1.21 1.07 1ojiA1 ILE 294 HG23 0.02 0.01 -0.17 -0.04 0.93 0.75 1ojiA1 ILE 294 HD13 0.03 0.01 -0.04 -0.04 0.88 0.84 1ojiA1 GLU 295 H 0.14 0.16 0.04 -0.55 8.60 8.39 1ojiA1 GLU 295 HA 0.08 -0.02 0.38 -0.75 4.29 3.98 1ojiA1 GLU 295 HB2 0.04 0.00 0.07 -0.04 2.09 2.16 1ojiA1 GLU 295 HB3 0.04 -0.02 0.05 -0.04 1.99 2.02 1ojiA1 GLU 295 HG2 0.18 0.09 -0.23 -0.04 2.34 2.34 1ojiA1 GLU 295 HG3 0.11 -0.01 -0.04 -0.04 2.34 2.36 1ojiA1 SER 296 H 0.13 0.02 0.22 -0.55 8.46 8.28 1ojiA1 SER 296 HA 0.10 0.02 0.51 -0.75 4.49 4.36 1ojiA1 SER 296 HB2 0.04 0.04 0.27 -0.04 3.95 4.25 1ojiA1 SER 296 HB3 -0.12 -0.08 0.21 -0.04 3.93 3.89 1ojiA1 PHE 297 H -0.40 0.04 0.23 -0.55 8.34 7.65 1ojiA1 PHE 297 HA -0.02 0.06 0.68 -0.75 4.62 4.58 1ojiA1 PHE 297 HB2 -0.22 0.12 0.09 -0.04 3.15 3.11 1ojiA1 PHE 297 HB3 -0.55 -0.02 0.16 -0.04 3.06 2.60 1ojiA1 PHE 297 HD2 -1.24 0.10 -0.16 -0.04 7.28 5.94 1ojiA1 PHE 297 HE2 -0.80 0.03 -0.09 -0.04 7.38 6.48 1ojiA1 PHE 297 HZ -1.28 -0.03 -0.11 -0.04 7.32 5.86 1ojiA1 TYR 298 H 0.30 0.11 0.14 -0.55 8.29 8.29 1ojiA1 TYR 298 HA -0.09 0.20 0.87 -0.75 4.56 4.79 1ojiA1 TYR 298 HB2 0.06 -0.03 0.06 -0.04 3.06 3.11 1ojiA1 TYR 298 HB3 -0.23 0.09 -0.05 -0.04 2.98 2.75 1ojiA1 TYR 298 HD2 -0.54 -0.04 -0.18 -0.04 7.15 6.35 1ojiA1 TYR 298 HE2 -0.17 -0.01 -0.07 -0.04 6.85 6.56 1ojiA1 THR 299 H 0.10 0.45 0.31 -0.55 8.28 8.58 1ojiA1 THR 299 HA 0.09 0.06 0.39 -0.75 4.39 4.17 1ojiA1 THR 299 HB 0.18 -0.00 0.14 -0.04 4.32 4.60 1ojiA1 THR 299 HG23 0.10 0.06 0.09 -0.04 1.22 1.44 1ojiA1 ASN 300 H 0.09 0.41 0.15 -0.55 8.53 8.63 1ojiA1 ASN 300 HA 0.15 0.03 0.68 -0.75 4.76 4.86 1ojiA1 ASN 300 HB2 0.10 0.02 -0.14 -0.04 2.88 2.83 1ojiA1 ASN 300 HB3 0.04 0.22 0.16 -0.04 2.79 3.17 1ojiA1 ASN 300 HD21 0.02 -0.11 0.09 -0.04 7.03 7.00 1ojiA1 ASN 300 HD22 0.02 0.21 0.19 -0.04 7.74 8.13 1ojiA1 LYS 301 H 0.12 0.22 -0.01 -0.55 8.42 8.20 1ojiA1 LYS 301 HA 0.05 0.14 0.98 -0.75 4.32 4.73 1ojiA1 LYS 301 HB2 0.05 0.09 -0.48 -0.04 1.87 1.49 1ojiA1 LYS 301 HB3 0.09 -0.06 -0.02 -0.04 1.79 1.76 1ojiA1 LYS 301 HG2 0.05 0.16 -0.25 -0.04 1.46 1.38 1ojiA1 LYS 301 HG3 0.04 -0.07 -0.01 -0.04 1.46 1.38 1ojiA1 LYS 301 HD2 0.03 -0.03 -0.08 -0.04 1.69 1.57 1ojiA1 LYS 301 HD3 0.06 0.05 0.01 -0.04 1.68 1.76 1ojiA1 LYS 301 HE2 0.04 0.07 0.05 -0.04 2.99 3.11 1ojiA1 LYS 301 HE3 0.04 0.02 -0.04 -0.04 2.99 2.97 1ojiA1 GLU 302 H 0.04 0.14 0.13 -0.55 8.60 8.36 1ojiA1 GLU 302 HA 0.04 -0.03 0.37 -0.75 4.29 3.91 1ojiA1 GLU 302 HB2 0.03 0.00 0.13 -0.04 2.09 2.21 1ojiA1 GLU 302 HB3 0.02 0.00 0.08 -0.04 1.99 2.06 1ojiA1 GLU 302 HG2 0.02 -0.01 0.05 -0.04 2.34 2.37 1ojiA1 GLU 302 HG3 0.02 0.03 0.11 -0.04 2.34 2.46 1ojiA1 GLY 303 H 0.05 0.06 0.18 -0.55 8.43 8.17 1ojiA1 GLY 303 HA2 0.04 -0.06 0.32 -0.51 4.01 3.80 1ojiA1 GLY 303 HA3 0.03 0.12 0.48 -0.51 4.01 4.13 1ojiA1 VAL 304 H 0.09 0.51 -0.10 -0.55 8.24 8.19 1ojiA1 VAL 304 HA 0.09 0.20 0.86 -0.75 4.13 4.53 1ojiA1 VAL 304 HB 0.15 -0.01 0.12 -0.04 2.12 2.34 1ojiA1 VAL 304 HG13 0.32 0.02 -0.07 -0.04 0.97 1.20 1ojiA1 VAL 304 HG23 0.08 0.04 -0.14 -0.04 0.95 0.88 1ojiA1 PRO 305 HA 0.16 -0.02 0.32 -0.51 4.44 4.39 1ojiA1 PRO 305 HB2 0.26 -0.06 -0.11 -0.04 2.28 2.33 1ojiA1 PRO 305 HB3 0.15 -0.01 -0.02 -0.04 2.02 2.10 1ojiA1 PRO 305 HG2 0.11 0.14 -0.05 -0.04 2.03 2.18 1ojiA1 PRO 305 HG3 0.10 0.04 0.03 -0.04 2.03 2.15 1ojiA1 PRO 305 HD2 0.15 0.09 0.20 -0.04 3.68 4.08 1ojiA1 PRO 305 HD3 0.08 0.33 0.21 -0.04 3.65 4.22 1ojiA1 TYR 306 H 0.26 0.07 0.15 -0.55 8.29 8.22 1ojiA1 TYR 306 HA 0.16 0.15 0.57 -0.75 4.56 4.69 1ojiA1 TYR 306 HB2 0.07 0.03 0.10 -0.04 3.06 3.23 1ojiA1 TYR 306 HB3 0.08 -0.07 0.19 -0.04 2.98 3.14 1ojiA1 TYR 306 HD2 0.06 0.06 -0.02 -0.04 7.15 7.21 1ojiA1 TYR 306 HE2 -0.17 0.03 -0.04 -0.04 6.85 6.62 1ojiA1 THR 307 H 0.01 0.28 0.33 -0.55 8.28 8.34 1ojiA1 THR 307 HA -0.10 0.05 0.54 -0.75 4.39 4.12 1ojiA1 THR 307 HB 0.03 0.09 -0.20 -0.04 4.32 4.20 1ojiA1 THR 307 HG23 0.04 0.03 -0.11 -0.04 1.22 1.13 1ojiA1 ASN 308 H -0.43 0.13 0.12 -0.55 8.53 7.80 1ojiA1 ASN 308 HA -0.27 0.30 0.96 -0.75 4.76 5.01 1ojiA1 ASN 308 HB2 -0.60 0.16 0.15 -0.04 2.88 2.55 1ojiA1 ASN 308 HB3 -2.05 -0.04 0.00 -0.04 2.79 0.67 1ojiA1 ASN 308 HD21 -0.32 -0.05 -0.03 -0.04 7.03 6.59 1ojiA1 ASN 308 HD22 -0.37 0.09 0.01 -0.04 7.74 7.42 1ojiA1 MET 309 H -0.42 0.22 -0.02 -0.55 8.47 7.71 1ojiA1 MET 309 HA -0.82 0.17 0.72 -0.75 4.52 3.84 1ojiA1 MET 309 HB2 -0.32 -0.10 -0.11 -0.04 2.15 1.57 1ojiA1 MET 309 HB3 -0.36 0.08 -0.08 -0.04 2.03 1.62 1ojiA1 MET 309 HG2 -0.27 0.04 0.02 -0.04 2.63 2.38 1ojiA1 MET 309 HG3 -0.38 -0.08 -0.51 -0.04 2.56 1.55 1ojiA1 MET 309 HE3 -0.62 0.01 -0.08 -0.04 2.10 1.37 1ojiA1 ILE 310 H -1.01 0.51 0.32 -0.55 8.25 7.51 1ojiA1 ILE 310 HA -0.59 0.07 0.61 -0.75 4.18 3.52 1ojiA1 ILE 310 HB -0.39 -0.07 0.21 -0.04 1.89 1.60 1ojiA1 ILE 310 HG12 -0.33 0.08 -0.02 -0.04 1.49 1.18 1ojiA1 ILE 310 HG13 -1.56 -0.02 0.08 -0.04 1.21 -0.33 1ojiA1 ILE 310 HG23 -0.07 -0.00 -0.10 -0.04 0.93 0.71 1ojiA1 ILE 310 HD13 -0.24 0.02 -0.02 -0.04 0.88 0.59 1ojiA1 ASP 311 H 0.03 0.26 0.32 -0.55 8.40 8.46 1ojiA1 ASP 311 HA 0.00 0.21 0.47 -0.75 4.63 4.57 1ojiA1 ASP 311 HB2 0.00 -0.03 0.29 -0.04 2.71 2.93 1ojiA1 ASP 311 HB3 -0.07 0.17 0.09 -0.04 2.70 2.85 1ojiA1 ASP 312 H 0.06 0.31 0.23 -0.55 8.40 8.44 1ojiA1 ASP 312 HA 0.15 0.05 0.41 -0.75 4.63 4.49 1ojiA1 ASP 312 HB2 0.05 0.04 0.22 -0.04 2.71 2.98 1ojiA1 ASP 312 HB3 0.06 0.09 0.03 -0.04 2.70 2.84 1ojiA1 GLU 313 H 0.07 0.10 -0.12 -0.55 8.60 8.10 1ojiA1 GLU 313 HA 0.06 0.09 0.39 -0.75 4.29 4.08 1ojiA1 GLU 313 HB2 0.06 -0.00 0.10 -0.04 2.09 2.21 1ojiA1 GLU 313 HB3 0.10 0.00 0.04 -0.04 1.99 2.09 1ojiA1 GLU 313 HG2 0.09 0.04 -0.09 -0.04 2.34 2.34 1ojiA1 GLU 313 HG3 0.06 0.01 0.05 -0.04 2.34 2.42 1ojiA1 PHE 314 H 0.22 0.05 -0.17 -0.55 8.34 7.89 1ojiA1 PHE 314 HA 0.07 0.13 0.49 -0.75 4.62 4.56 1ojiA1 PHE 314 HB2 0.07 0.05 0.07 -0.04 3.15 3.30 1ojiA1 PHE 314 HB3 0.01 -0.13 0.22 -0.04 3.06 3.12 1ojiA1 PHE 314 HD2 0.09 -0.03 -0.03 -0.04 7.28 7.27 1ojiA1 PHE 314 HE2 0.20 0.09 -0.11 -0.04 7.38 7.51 1ojiA1 PHE 314 HZ 0.23 0.10 0.02 -0.04 7.32 7.63 1ojiA1 CYS 315 H 0.16 0.46 -0.01 -0.55 8.50 8.56 1ojiA1 CYS 315 HA -0.26 0.09 0.35 -0.75 4.58 4.00 1ojiA1 CYS 315 HB2 0.11 0.01 0.14 -0.04 2.97 3.19 1ojiA1 CYS 315 HB3 -0.03 -0.02 -0.02 -0.04 2.97 2.85 1ojiA1 GLU 316 H 0.03 0.60 -0.10 -0.55 8.60 8.59 1ojiA1 GLU 316 HA 0.02 -0.02 0.37 -0.75 4.29 3.90 1ojiA1 GLU 316 HB2 0.04 -0.01 0.12 -0.04 2.09 2.20 1ojiA1 GLU 316 HB3 0.02 0.09 0.12 -0.04 1.99 2.18 1ojiA1 GLU 316 HG2 0.02 -0.01 -0.06 -0.04 2.34 2.25 1ojiA1 GLU 316 HG3 0.01 0.02 -0.16 -0.04 2.34 2.16 1ojiA1 ALA 317 H -0.04 0.39 -0.12 -0.55 8.40 8.08 1ojiA1 ALA 317 HA -0.02 0.03 0.56 -0.75 4.34 4.17 1ojiA1 ALA 317 HB3 -0.00 0.03 0.20 -0.04 1.41 1.60 1ojiA1 THR 318 H -0.26 0.46 -0.12 -0.55 8.28 7.81 1ojiA1 THR 318 HA -0.11 0.17 0.77 -0.75 4.39 4.47 1ojiA1 THR 318 HB -0.21 -0.01 0.19 -0.04 4.32 4.25 1ojiA1 THR 318 HG23 -0.55 0.03 0.03 -0.04 1.22 0.69 1ojiA1 GLY 319 H -0.07 0.25 -0.60 -0.55 8.43 7.47 1ojiA1 GLY 319 HA2 -0.00 0.05 0.25 -0.51 4.01 3.79 1ojiA1 GLY 319 HA3 -0.01 0.07 0.23 -0.51 4.01 3.80 1ojiA1 SER 320 H -0.06 0.51 -0.12 -0.55 8.46 8.24 1ojiA1 SER 320 HA 0.01 0.11 0.56 -0.75 4.49 4.42 1ojiA1 SER 320 HB2 -0.02 -0.06 0.02 -0.04 3.95 3.85 1ojiA1 SER 320 HB3 -0.05 -0.13 -0.01 -0.04 3.93 3.70 1ojiA1 ARG 321 H 0.06 0.52 0.02 -0.55 8.46 8.51 1ojiA1 ARG 321 HA 0.04 0.07 0.15 -0.75 4.34 3.84 1ojiA1 ARG 321 HB2 0.05 0.11 0.06 -0.04 1.90 2.09 1ojiA1 ARG 321 HB3 0.09 -0.02 0.16 -0.04 1.80 1.99 1ojiA1 ARG 321 HG2 0.03 -0.02 -0.18 -0.04 1.67 1.46 1ojiA1 ARG 321 HG3 0.03 -0.00 0.01 -0.04 1.67 1.66 1ojiA1 ARG 321 HD2 0.05 0.01 -0.02 -0.04 3.22 3.21 1ojiA1 ARG 321 HD3 0.04 0.02 0.01 -0.04 3.22 3.25 1ojiA1 LYS 322 H -0.00 0.17 0.04 -0.55 8.42 8.08 1ojiA1 LYS 322 HA -0.05 0.12 0.38 -0.75 4.32 4.01 1ojiA1 LYS 322 HB2 -0.19 -0.12 0.05 -0.04 1.87 1.57 1ojiA1 LYS 322 HB3 -0.17 0.13 -0.06 -0.04 1.79 1.66 1ojiA1 LYS 322 HG2 -0.13 -0.13 0.08 -0.04 1.46 1.24 1ojiA1 LYS 322 HG3 -0.66 0.17 0.11 -0.04 1.46 1.05 1ojiA1 LYS 322 HD2 -0.06 -0.09 -0.03 -0.04 1.69 1.47 1ojiA1 LYS 322 HD3 -0.09 -0.02 0.05 -0.04 1.68 1.58 1ojiA1 LYS 322 HE2 -0.21 0.19 -0.09 -0.04 2.99 2.84 1ojiA1 LYS 322 HE3 -0.12 -0.13 -0.10 -0.04 2.99 2.60 1ojiA1 TYR 323 H 0.10 0.11 -0.49 -0.55 8.29 7.46 1ojiA1 TYR 323 HA -0.06 0.04 0.38 -0.75 4.56 4.16 1ojiA1 TYR 323 HB2 -0.07 -0.00 -0.12 -0.04 3.06 2.83 1ojiA1 TYR 323 HB3 -0.04 0.26 -0.07 -0.04 2.98 3.09 1ojiA1 TYR 323 HD2 -0.04 0.03 -0.19 -0.04 7.15 6.91 1ojiA1 TYR 323 HE2 -0.00 -0.06 -0.21 -0.04 6.85 6.54 1ojiA1 MET 324 H 0.10 0.47 -0.18 -0.55 8.47 8.32 1ojiA1 MET 324 HA -0.10 -0.10 0.56 -0.75 4.52 4.13 1ojiA1 MET 324 HB2 0.03 0.20 0.16 -0.04 2.15 2.50 1ojiA1 MET 324 HB3 0.01 -0.02 0.00 -0.04 2.03 1.99 1ojiA1 MET 324 HG2 0.14 0.25 -0.03 -0.04 2.63 2.94 1ojiA1 MET 324 HG3 0.06 0.00 -0.00 -0.04 2.56 2.58 1ojiA1 MET 324 HE3 0.04 -0.01 0.04 -0.04 2.10 2.13 1ojiA1 GLU 325 H -0.03 0.55 -0.04 -0.55 8.60 8.54 1ojiA1 GLU 325 HA -0.04 0.02 0.27 -0.75 4.29 3.79 1ojiA1 GLU 325 HB2 -0.02 0.01 0.05 -0.04 2.09 2.09 1ojiA1 GLU 325 HB3 -0.05 0.04 0.06 -0.04 1.99 2.00 1ojiA1 GLU 325 HG2 -0.04 -0.01 0.04 -0.04 2.34 2.29 1ojiA1 GLU 325 HG3 -0.02 -0.04 -0.00 -0.04 2.34 2.23 1ojiA1 LEU 326 H -0.10 0.34 -0.44 -0.55 8.37 7.63 1ojiA1 LEU 326 HA -0.09 0.15 0.37 -0.75 4.35 4.02 1ojiA1 LEU 326 HB2 -0.11 -0.01 -0.11 -0.04 1.64 1.37 1ojiA1 LEU 326 HB3 -0.10 -0.11 -0.20 -0.04 1.64 1.19 1ojiA1 LEU 326 HG -0.09 -0.02 -0.10 -0.04 1.64 1.40 1ojiA1 LEU 326 HD13 -0.11 0.03 -0.49 -0.04 0.93 0.32 1ojiA1 LEU 326 HD23 -0.09 0.04 -0.10 -0.04 0.89 0.70 1ojiA1 GLY 327 H -0.16 0.20 -0.47 -0.55 8.43 7.45 1ojiA1 GLY 327 HA2 -0.11 0.03 0.18 -0.51 4.01 3.60 1ojiA1 GLY 327 HA3 -0.13 0.15 0.78 -0.51 4.01 4.30 1ojiA1 ALA 328 H -0.37 0.44 0.19 -0.55 8.40 8.12 1ojiA1 ALA 328 HA -0.79 0.10 0.24 -0.75 4.34 3.14 1ojiA1 ALA 328 HB3 -0.09 0.00 0.02 -0.04 1.41 1.30 1ojiA1 THR 329 H 0.00 0.10 0.15 -0.55 8.28 7.98 1ojiA1 THR 329 HA 0.12 0.04 0.25 -0.75 4.39 4.04 1ojiA1 THR 329 HB 0.06 0.00 0.12 -0.04 4.32 4.46 1ojiA1 THR 329 HG23 0.08 0.07 -0.39 -0.04 1.22 0.94 1ojiA1 GLN 330 H -0.03 0.06 -0.05 -0.55 8.47 7.91 1ojiA1 GLN 330 HA -0.00 0.07 0.54 -0.75 4.36 4.22 1ojiA1 GLN 330 HB2 -0.01 -0.03 0.11 -0.04 2.15 2.17 1ojiA1 GLN 330 HB3 -0.04 0.11 0.05 -0.04 2.02 2.10 1ojiA1 GLN 330 HG2 -0.02 0.05 -0.19 -0.04 2.40 2.19 1ojiA1 GLN 330 HG3 -0.01 -0.08 0.05 -0.04 2.39 2.30 1ojiA1 GLN 330 HE21 -0.01 0.00 -0.03 -0.04 6.97 6.89 1ojiA1 GLN 330 HE22 -0.02 0.04 -0.07 -0.04 7.69 7.60 1ojiA1 GLY 331 H -0.09 0.70 -0.13 -0.55 8.43 8.36 1ojiA1 GLY 331 HA2 -0.06 0.00 0.48 -0.51 4.01 3.93 1ojiA1 GLY 331 HA3 -0.10 0.11 0.25 -0.51 4.01 3.75 1ojiA1 MET 332 H -0.09 0.51 -0.17 -0.55 8.47 8.17 1ojiA1 MET 332 HA -0.00 0.02 0.40 -0.75 4.52 4.19 1ojiA1 MET 332 HB2 0.09 -0.03 -0.07 -0.04 2.15 2.10 1ojiA1 MET 332 HB3 0.08 0.12 0.02 -0.04 2.03 2.21 1ojiA1 MET 332 HG2 0.14 -0.02 -0.11 -0.04 2.63 2.60 1ojiA1 MET 332 HG3 0.05 -0.03 -0.20 -0.04 2.56 2.34 1ojiA1 MET 332 HE3 0.01 -0.02 -0.18 -0.04 2.10 1.87 1ojiA1 GLY 333 H 0.01 0.51 -0.33 -0.55 8.43 8.07 1ojiA1 GLY 333 HA2 0.01 -0.06 0.22 -0.51 4.01 3.67 1ojiA1 GLY 333 HA3 0.02 -0.05 0.34 -0.51 4.01 3.81 1ojiA1 GLU 334 H -0.02 0.39 -0.25 -0.55 8.60 8.18 1ojiA1 GLU 334 HA 0.00 0.04 0.60 -0.75 4.29 4.18 1ojiA1 GLU 334 HB2 -0.02 0.11 0.22 -0.04 2.09 2.36 1ojiA1 GLU 334 HB3 -0.02 -0.01 0.07 -0.04 1.99 2.00 1ojiA1 GLU 334 HG2 -0.01 -0.01 0.04 -0.04 2.34 2.33 1ojiA1 GLU 334 HG3 -0.01 -0.04 0.01 -0.04 2.34 2.26 1ojiA1 ALA 335 H -0.03 0.44 -0.06 -0.55 8.40 8.21 1ojiA1 ALA 335 HA -0.03 0.02 0.41 -0.75 4.34 3.98 1ojiA1 ALA 335 HB3 -0.04 0.05 0.12 -0.04 1.41 1.50 1ojiA1 LEU 336 H -0.04 0.42 -0.16 -0.55 8.37 8.05 1ojiA1 LEU 336 HA -0.12 0.05 0.28 -0.75 4.35 3.81 1ojiA1 LEU 336 HB2 -0.07 0.10 0.03 -0.04 1.64 1.66 1ojiA1 LEU 336 HB3 -0.18 -0.24 -0.02 -0.04 1.64 1.15 1ojiA1 LEU 336 HG -0.07 0.20 -0.15 -0.04 1.64 1.58 1ojiA1 LEU 336 HD13 -0.39 -0.03 -0.16 -0.04 0.93 0.31 1ojiA1 LEU 336 HD23 -0.17 -0.02 -0.12 -0.04 0.89 0.54 1ojiA1 THR 337 H 0.01 0.48 -0.25 -0.55 8.28 7.97 1ojiA1 THR 337 HA 0.10 -0.03 0.60 -0.75 4.39 4.32 1ojiA1 THR 337 HB 0.03 0.12 0.20 -0.04 4.32 4.62 1ojiA1 THR 337 HG23 0.04 -0.01 -0.03 -0.04 1.22 1.18 1ojiA1 ARG 338 H 0.02 0.57 0.01 -0.55 8.46 8.50 1ojiA1 ARG 338 HA 0.06 -0.02 0.54 -0.75 4.34 4.17 1ojiA1 ARG 338 HB2 -0.00 0.15 0.19 -0.04 1.90 2.20 1ojiA1 ARG 338 HB3 0.01 -0.07 0.07 -0.04 1.80 1.77 1ojiA1 ARG 338 HG2 0.01 -0.06 0.05 -0.04 1.67 1.64 1ojiA1 ARG 338 HG3 0.00 0.19 0.03 -0.04 1.67 1.86 1ojiA1 ARG 338 HD2 0.00 -0.02 0.02 -0.04 3.22 3.18 1ojiA1 ARG 338 HD3 -0.00 -0.06 -0.01 -0.04 3.22 3.11 1ojiA1 GLY 339 H -0.02 0.23 -0.34 -0.55 8.43 7.76 1ojiA1 GLY 339 HA2 -0.42 0.18 0.27 -0.51 4.01 3.52 1ojiA1 GLY 339 HA3 -0.19 0.08 0.73 -0.51 4.01 4.13 1ojiA1 MET 340 H -0.32 0.56 0.36 -0.55 8.47 8.52 1ojiA1 MET 340 HA -0.16 0.21 0.98 -0.75 4.52 4.79 1ojiA1 MET 340 HB2 -0.24 -0.06 -0.05 -0.04 2.15 1.77 1ojiA1 MET 340 HB3 -0.17 -0.04 -0.09 -0.04 2.03 1.69 1ojiA1 MET 340 HG2 -0.15 0.04 -0.54 -0.04 2.63 1.94 1ojiA1 MET 340 HG3 -0.17 -0.12 -0.20 -0.04 2.56 2.04 1ojiA1 MET 340 HE3 -0.07 -0.03 -0.39 -0.04 2.10 1.57 1ojiA1 VAL 341 H -0.20 0.81 0.45 -0.55 8.24 8.75 1ojiA1 VAL 341 HA -0.21 0.27 0.98 -0.75 4.13 4.42 1ojiA1 VAL 341 HB -0.36 -0.07 0.16 -0.04 2.12 1.81 1ojiA1 VAL 341 HG13 -0.58 0.03 -0.08 -0.04 0.97 0.29 1ojiA1 VAL 341 HG23 -0.24 0.02 -0.13 -0.04 0.95 0.56 1ojiA1 LEU 342 H -0.19 0.24 0.29 -0.55 8.37 8.16 1ojiA1 LEU 342 HA -0.29 0.23 0.87 -0.75 4.35 4.42 1ojiA1 LEU 342 HB2 -0.32 -0.01 0.09 -0.04 1.64 1.35 1ojiA1 LEU 342 HB3 -0.14 -0.09 0.21 -0.04 1.64 1.58 1ojiA1 LEU 342 HG -0.18 0.05 -0.34 -0.04 1.64 1.13 1ojiA1 LEU 342 HD13 -0.46 0.05 0.00 -0.04 0.93 0.48 1ojiA1 LEU 342 HD23 -0.08 -0.01 -0.09 -0.04 0.89 0.67 1ojiA1 ALA 343 H -0.38 0.81 0.48 -0.55 8.40 8.77 1ojiA1 ALA 343 HA -0.01 0.40 1.07 -0.75 4.34 5.04 1ojiA1 ALA 343 HB3 -0.55 -0.03 -0.07 -0.04 1.41 0.71 1ojiA1 MET 344 H -0.07 0.66 0.33 -0.55 8.47 8.85 1ojiA1 MET 344 HA 0.08 0.33 0.78 -0.75 4.52 4.96 1ojiA1 MET 344 HB2 0.05 -0.04 0.00 -0.04 2.15 2.12 1ojiA1 MET 344 HB3 0.20 0.04 0.05 -0.04 2.03 2.28 1ojiA1 MET 344 HG2 -0.34 0.02 0.10 -0.04 2.63 2.38 1ojiA1 MET 344 HG3 -0.15 -0.09 -0.77 -0.04 2.56 1.50 1ojiA1 MET 344 HE3 0.00 -0.00 -0.26 -0.04 2.10 1.80 1ojiA1 SER 345 H 0.36 0.58 0.36 -0.55 8.46 9.22 1ojiA1 SER 345 HA 0.17 0.43 0.93 -0.75 4.49 5.27 1ojiA1 SER 345 HB2 0.15 0.14 0.06 -0.04 3.95 4.25 1ojiA1 SER 345 HB3 0.19 -0.10 -0.40 -0.04 3.93 3.58 1ojiA1 ILE 346 H 0.24 0.57 0.11 -0.55 8.25 8.62 1ojiA1 ILE 346 HA 0.22 0.27 0.77 -0.75 4.18 4.68 1ojiA1 ILE 346 HB 0.13 -0.01 -0.04 -0.04 1.89 1.93 1ojiA1 ILE 346 HG12 -0.09 -0.02 -0.18 -0.04 1.49 1.16 1ojiA1 ILE 346 HG13 0.00 0.01 -0.05 -0.04 1.21 1.14 1ojiA1 ILE 346 HG23 0.15 0.02 -0.17 -0.04 0.93 0.89 1ojiA1 ILE 346 HD13 0.03 -0.01 -0.22 -0.04 0.88 0.64 1ojiA1 TRP 347 H -0.04 0.51 0.26 -0.55 7.97 8.16 1ojiA1 TRP 347 HA -0.14 0.14 0.65 -0.75 4.62 4.51 1ojiA1 TRP 347 HB2 0.05 0.02 0.15 -0.04 3.23 3.41 1ojiA1 TRP 347 HB3 0.03 0.16 -0.20 -0.04 3.23 3.18 1ojiA1 TRP 347 HD1 0.12 -0.03 -0.32 -0.04 7.22 6.95 1ojiA1 TRP 347 HE1 0.15 -0.04 -0.20 -0.04 10.20 10.07 1ojiA1 TRP 347 HE3 0.11 0.30 -0.03 -0.04 7.59 7.93 1ojiA1 TRP 347 HZ2 0.26 -0.01 -0.15 -0.04 7.44 7.50 1ojiA1 TRP 347 HZ3 0.17 -0.11 -0.12 -0.04 7.13 7.03 1ojiA1 TRP 347 HH2 0.34 -0.05 -0.13 -0.04 7.19 7.30 1ojiA1 TRP 348 H 0.36 0.22 0.19 -0.55 7.97 8.20 1ojiA1 TRP 348 HA -0.35 0.31 0.69 -0.75 4.62 4.52 1ojiA1 TRP 348 HB2 -0.13 -0.01 0.10 -0.04 3.23 3.16 1ojiA1 TRP 348 HB3 -0.26 0.08 -0.09 -0.04 3.23 2.91 1ojiA1 TRP 348 HD1 0.14 -0.06 -0.29 -0.04 7.22 6.96 1ojiA1 TRP 348 HE1 0.10 0.01 -0.03 -0.04 10.20 10.23 1ojiA1 TRP 348 HE3 -0.04 0.04 -0.09 -0.04 7.59 7.46 1ojiA1 TRP 348 HZ2 0.05 0.01 -0.02 -0.04 7.44 7.44 1ojiA1 TRP 348 HZ3 0.05 0.06 -0.04 -0.04 7.13 7.15 1ojiA1 TRP 348 HH2 0.03 0.06 -0.04 -0.04 7.19 7.20 1ojiA1 ASP 349 H 0.00 0.31 0.04 -0.55 8.40 8.20 1ojiA1 ASP 349 HA 0.27 0.19 0.91 -0.75 4.63 5.24 1ojiA1 ASP 349 HB2 0.13 0.19 -0.25 -0.04 2.71 2.73 1ojiA1 ASP 349 HB3 -0.04 -0.01 0.06 -0.04 2.70 2.67 1ojiA1 GLN 350 H 0.05 0.26 0.15 -0.55 8.47 8.39 1ojiA1 GLN 350 HA -0.20 0.09 0.42 -0.75 4.36 3.91 1ojiA1 GLN 350 HB2 0.00 -0.01 0.13 -0.04 2.15 2.23 1ojiA1 GLN 350 HB3 -0.06 0.05 0.02 -0.04 2.02 1.99 1ojiA1 GLN 350 HG2 -0.18 -0.05 0.03 -0.04 2.40 2.17 1ojiA1 GLN 350 HG3 0.02 0.08 0.05 -0.04 2.39 2.49 1ojiA1 GLN 350 HE21 -0.18 0.01 -0.01 -0.04 6.97 6.74 1ojiA1 GLN 350 HE22 -0.04 0.07 -0.01 -0.04 7.69 7.67 1ojiA1 GLY 351 H 0.05 0.06 -0.05 -0.55 8.43 7.95 1ojiA1 GLY 351 HA2 0.02 0.13 0.50 -0.51 4.01 4.15 1ojiA1 GLY 351 HA3 0.06 0.04 0.29 -0.51 4.01 3.89 1ojiA1 GLY 352 H 0.07 -0.00 -0.15 -0.55 8.43 7.80 1ojiA1 GLY 352 HA2 0.03 0.26 0.68 -0.51 4.01 4.47 1ojiA1 GLY 352 HA3 0.11 -0.02 0.23 -0.51 4.01 3.82 1ojiA1 ASN 353 H -0.04 0.39 -0.10 -0.55 8.53 8.24 1ojiA1 ASN 353 HA -0.14 0.30 0.25 -0.75 4.76 4.41 1ojiA1 ASN 353 HB2 -0.14 0.11 -0.20 -0.04 2.88 2.62 1ojiA1 ASN 353 HB3 -0.16 -0.14 -0.11 -0.04 2.79 2.33 1ojiA1 ASN 353 HD21 -0.12 0.07 -0.05 -0.04 7.03 6.89 1ojiA1 ASN 353 HD22 -0.15 -0.17 -0.09 -0.04 7.74 7.29 1ojiA1 MET 354 H -0.07 -0.01 -0.33 -0.55 8.47 7.52 1ojiA1 MET 354 HA -0.43 -0.01 0.15 -0.75 4.52 3.48 1ojiA1 MET 354 HB2 -0.36 0.18 -0.22 -0.04 2.15 1.71 1ojiA1 MET 354 HB3 -0.45 -0.02 0.12 -0.04 2.03 1.63 1ojiA1 MET 354 HG2 -0.67 0.13 -0.32 -0.04 2.63 1.72 1ojiA1 MET 354 HG3 -1.24 -0.12 -0.06 -0.04 2.56 1.09 1ojiA1 MET 354 HE3 -1.02 0.01 -0.30 -0.04 2.10 0.76 1ojiA1 GLU 355 H -0.11 0.41 -0.34 -0.55 8.60 8.01 1ojiA1 GLU 355 HA -0.11 0.04 0.19 -0.75 4.29 3.65 1ojiA1 GLU 355 HB2 0.04 0.04 0.07 -0.04 2.09 2.20 1ojiA1 GLU 355 HB3 0.14 -0.01 -0.08 -0.04 1.99 2.00 1ojiA1 GLU 355 HG2 -0.33 -0.06 -0.04 -0.04 2.34 1.87 1ojiA1 GLU 355 HG3 -0.15 0.18 0.02 -0.04 2.34 2.35 1ojiA1 TRP 356 H 0.03 0.05 -0.34 -0.55 7.97 7.16 1ojiA1 TRP 356 HA 0.01 0.10 0.38 -0.75 4.62 4.35 1ojiA1 TRP 356 HB2 0.00 0.08 -0.01 -0.04 3.23 3.26 1ojiA1 TRP 356 HB3 0.03 -0.03 -0.00 -0.04 3.23 3.18 1ojiA1 TRP 356 HD1 0.04 -0.06 -0.11 -0.04 7.22 7.05 1ojiA1 TRP 356 HE1 0.08 -0.03 -0.13 -0.04 10.20 10.08 1ojiA1 TRP 356 HE3 -0.34 0.03 -0.42 -0.04 7.59 6.81 1ojiA1 TRP 356 HZ2 0.07 -0.01 -0.16 -0.04 7.44 7.30 1ojiA1 TRP 356 HZ3 -1.00 0.02 -0.18 -0.04 7.13 5.93 1ojiA1 TRP 356 HH2 -0.06 0.00 -0.16 -0.04 7.19 6.93 1ojiA1 LEU 357 H -0.93 0.47 -0.49 -0.55 8.37 6.87 1ojiA1 LEU 357 HA -0.45 0.16 0.52 -0.75 4.35 3.83 1ojiA1 LEU 357 HB2 -2.08 -0.07 -0.14 -0.04 1.64 -0.69 1ojiA1 LEU 357 HB3 -1.01 0.15 -0.00 -0.04 1.64 0.73 1ojiA1 LEU 357 HG -0.40 -0.04 -0.43 -0.04 1.64 0.73 1ojiA1 LEU 357 HD13 -0.29 0.01 -0.13 -0.04 0.93 0.48 1ojiA1 LEU 357 HD23 -0.51 -0.03 -0.23 -0.04 0.89 0.08 1ojiA1 ASP 358 H -0.29 0.10 -0.14 -0.55 8.40 7.53 1ojiA1 ASP 358 HA -0.21 0.40 0.43 -0.75 4.63 4.50 1ojiA1 ASP 358 HB2 -0.18 -0.07 -0.01 -0.04 2.71 2.41 1ojiA1 ASP 358 HB3 -0.22 0.06 -0.33 -0.04 2.70 2.17 1ojiA1 HIS 359 H -0.07 0.49 0.03 -0.55 8.41 8.32 1ojiA1 HIS 359 HA -0.15 0.21 0.82 -0.75 4.63 4.75 1ojiA1 HIS 359 HB2 -0.13 -0.01 -0.15 -0.04 3.26 2.93 1ojiA1 HIS 359 HB3 -0.11 0.02 0.14 -0.04 3.20 3.20 1ojiA1 HIS 359 HD2 -0.03 -0.03 -0.13 -0.04 6.97 6.74 1ojiA1 HIS 359 HE1 -0.04 -0.09 0.04 -0.04 7.75 7.61 1ojiA1 GLY 360 H -0.47 0.32 0.13 -0.55 8.43 7.86 1ojiA1 GLY 360 HA2 -0.42 0.06 0.33 -0.51 4.01 3.47 1ojiA1 GLY 360 HA3 -0.56 -0.04 0.18 -0.51 4.01 3.08 1ojiA1 GLU 361 H -0.13 0.09 0.19 -0.55 8.60 8.21 1ojiA1 GLU 361 HA -0.03 0.09 0.48 -0.75 4.29 4.08 1ojiA1 GLU 361 HB2 0.02 0.06 0.09 -0.04 2.09 2.22 1ojiA1 GLU 361 HB3 -0.01 -0.04 0.13 -0.04 1.99 2.03 1ojiA1 GLU 361 HG2 0.04 0.06 -0.03 -0.04 2.34 2.38 1ojiA1 GLU 361 HG3 0.02 -0.02 0.04 -0.04 2.34 2.34 1ojiA1 ALA 362 H -0.11 0.49 -0.53 -0.55 8.40 7.71 1ojiA1 ALA 362 HA 0.05 0.09 0.58 -0.75 4.34 4.31 1ojiA1 ALA 362 HB3 0.01 0.01 -0.27 -0.04 1.41 1.11 1ojiA1 GLY 363 H -0.28 0.32 -0.59 -0.55 8.43 7.34 1ojiA1 GLY 363 HA2 -1.76 0.06 0.29 -0.51 4.01 2.09 1ojiA1 GLY 363 HA3 -0.51 0.07 0.27 -0.51 4.01 3.34 1ojiA1 PRO 364 HA -0.15 0.13 0.54 -0.51 4.44 4.45 1ojiA1 PRO 364 HB2 -0.02 -0.02 0.19 -0.04 2.28 2.38 1ojiA1 PRO 364 HB3 -0.02 0.04 0.11 -0.04 2.02 2.10 1ojiA1 PRO 364 HG2 -0.10 -0.05 0.02 -0.04 2.03 1.86 1ojiA1 PRO 364 HG3 -0.03 0.09 0.15 -0.04 2.03 2.20 1ojiA1 PRO 364 HD2 -0.29 0.08 0.17 -0.04 3.68 3.60 1ojiA1 PRO 364 HD3 -0.73 0.21 0.26 -0.04 3.65 3.34 1ojiA1 CYS 365 H -0.14 0.44 -0.21 -0.55 8.50 8.04 1ojiA1 CYS 365 HA -0.05 0.10 0.55 -0.75 4.58 4.42 1ojiA1 CYS 365 HB2 -0.06 0.16 -0.09 -0.04 2.97 2.94 1ojiA1 CYS 365 HB3 -0.06 -0.03 -0.14 -0.04 2.97 2.70 1ojiA1 ALA 366 H -0.02 0.12 0.17 -0.55 8.40 8.12 1ojiA1 ALA 366 HA 0.07 0.10 0.45 -0.75 4.34 4.20 1ojiA1 ALA 366 HB3 -0.02 0.03 0.10 -0.04 1.41 1.49 1ojiA1 LYS 367 H 0.04 0.15 0.18 -0.55 8.42 8.23 1ojiA1 LYS 367 HA -0.37 0.02 0.57 -0.75 4.32 3.80 1ojiA1 LYS 367 HB2 -0.00 0.03 0.17 -0.04 1.87 2.02 1ojiA1 LYS 367 HB3 -0.04 0.02 0.14 -0.04 1.79 1.87 1ojiA1 LYS 367 HG2 -0.04 0.02 0.01 -0.04 1.46 1.41 1ojiA1 LYS 367 HG3 -0.08 0.02 -0.13 -0.04 1.46 1.23 1ojiA1 LYS 367 HD2 -0.18 -0.05 0.04 -0.04 1.69 1.46 1ojiA1 LYS 367 HD3 -0.26 -0.01 0.07 -0.04 1.68 1.44 1ojiA1 LYS 367 HE2 -0.01 0.01 0.01 -0.04 2.99 2.95 1ojiA1 LYS 367 HE3 -0.05 0.02 -0.01 -0.04 2.99 2.91 1ojiA1 GLY 368 H -0.19 0.14 0.12 -0.55 8.43 7.95 1ojiA1 GLY 368 HA2 -0.11 -0.01 0.34 -0.51 4.01 3.72 1ojiA1 GLY 368 HA3 -0.09 0.20 0.62 -0.51 4.01 4.24 1ojiA1 GLU 369 H -0.12 0.50 -0.54 -0.55 8.60 7.89 1ojiA1 GLU 369 HA -0.08 0.10 0.17 -0.75 4.29 3.73 1ojiA1 GLU 369 HB2 -0.06 -0.05 0.04 -0.04 2.09 1.97 1ojiA1 GLU 369 HB3 -0.08 -0.01 -0.04 -0.04 1.99 1.82 1ojiA1 GLU 369 HG2 -0.06 0.04 -0.06 -0.04 2.34 2.22 1ojiA1 GLU 369 HG3 -0.05 0.04 0.02 -0.04 2.34 2.31 1ojiA1 GLY 370 H -0.15 0.03 -0.26 -0.55 8.43 7.51 1ojiA1 GLY 370 HA2 -0.12 0.39 0.38 -0.51 4.01 4.15 1ojiA1 GLY 370 HA3 -0.16 0.06 0.13 -0.51 4.01 3.53 1ojiA1 ALA 371 H -0.14 0.29 -0.43 -0.55 8.40 7.57 1ojiA1 ALA 371 HA -0.21 0.12 0.56 -0.75 4.34 4.05 1ojiA1 ALA 371 HB3 -0.15 -0.00 0.10 -0.04 1.41 1.31 1ojiA1 PRO 372 HA -0.78 0.12 0.48 -0.51 4.44 3.75 1ojiA1 PRO 372 HB2 -0.76 0.00 0.05 -0.04 2.28 1.53 1ojiA1 PRO 372 HB3 -2.48 0.10 0.04 -0.04 2.02 -0.36 1ojiA1 PRO 372 HG2 -0.78 -0.03 -0.07 -0.04 2.03 1.11 1ojiA1 PRO 372 HG3 -1.32 0.00 -0.05 -0.04 2.03 0.63 1ojiA1 PRO 372 HD2 -0.36 0.10 0.22 -0.04 3.68 3.60 1ojiA1 PRO 372 HD3 -0.36 0.27 0.17 -0.04 3.65 3.69 1ojiA1 SER 373 H -0.28 0.08 -0.21 -0.55 8.46 7.50 1ojiA1 SER 373 HA -0.14 0.12 0.36 -0.75 4.49 4.07 1ojiA1 SER 373 HB2 -0.09 0.04 0.01 -0.04 3.95 3.88 1ojiA1 SER 373 HB3 -0.13 -0.01 0.05 -0.04 3.93 3.81 1ojiA1 ASN 374 H -0.15 0.20 -0.40 -0.55 8.53 7.62 1ojiA1 ASN 374 HA -0.07 0.12 0.75 -0.75 4.76 4.81 1ojiA1 ASN 374 HB2 -0.09 -0.08 0.03 -0.04 2.88 2.70 1ojiA1 ASN 374 HB3 -0.10 0.23 0.01 -0.04 2.79 2.90 1ojiA1 ASN 374 HD21 -0.05 -0.09 -0.05 -0.04 7.03 6.80 1ojiA1 ASN 374 HD22 -0.07 0.45 0.03 -0.04 7.74 8.11 1ojiA1 ILE 375 H -0.11 0.54 -0.02 -0.55 8.25 8.10 1ojiA1 ILE 375 HA -0.01 0.03 0.40 -0.75 4.18 3.84 1ojiA1 ILE 375 HB 0.05 -0.00 0.09 -0.04 1.89 1.99 1ojiA1 ILE 375 HG12 0.00 0.12 -0.04 -0.04 1.49 1.54 1ojiA1 ILE 375 HG13 -0.07 0.07 -0.11 -0.04 1.21 1.05 1ojiA1 ILE 375 HG23 0.23 0.00 -0.18 -0.04 0.93 0.94 1ojiA1 ILE 375 HD13 0.03 -0.07 -0.25 -0.04 0.88 0.56 1ojiA1 VAL 376 H 0.03 0.38 -0.28 -0.55 8.24 7.82 1ojiA1 VAL 376 HA 0.02 0.20 0.26 -0.75 4.13 3.86 1ojiA1 VAL 376 HB -0.01 -0.01 0.08 -0.04 2.12 2.15 1ojiA1 VAL 376 HG13 0.31 0.03 0.01 -0.04 0.97 1.28 1ojiA1 VAL 376 HG23 -0.00 0.01 -0.10 -0.04 0.95 0.82 1ojiA1 GLN 377 H -0.03 0.36 -0.69 -0.55 8.47 7.57 1ojiA1 GLN 377 HA -0.04 0.10 0.66 -0.75 4.36 4.33 1ojiA1 GLN 377 HB2 -0.04 0.09 0.08 -0.04 2.15 2.24 1ojiA1 GLN 377 HB3 -0.03 -0.09 0.14 -0.04 2.02 2.00 1ojiA1 GLN 377 HG2 -0.04 0.16 0.01 -0.04 2.40 2.49 1ojiA1 GLN 377 HG3 -0.04 -0.08 0.04 -0.04 2.39 2.27 1ojiA1 GLN 377 HE21 -0.03 -0.05 -0.06 -0.04 6.97 6.79 1ojiA1 GLN 377 HE22 -0.03 0.04 -0.11 -0.04 7.69 7.55 1ojiA1 VAL 378 H -0.02 0.45 -0.32 -0.55 8.24 7.80 1ojiA1 VAL 378 HA -0.02 0.07 0.80 -0.75 4.13 4.23 1ojiA1 VAL 378 HB -0.02 0.11 0.18 -0.04 2.12 2.35 1ojiA1 VAL 378 HG13 -0.02 -0.04 -0.08 -0.04 0.97 0.79 1ojiA1 VAL 378 HG23 -0.03 0.02 -0.11 -0.04 0.95 0.78 1ojiA1 GLU 379 H -0.01 0.70 0.10 -0.55 8.60 8.84 1ojiA1 GLU 379 HA -0.01 0.15 0.79 -0.75 4.29 4.47 1ojiA1 GLU 379 HB2 0.01 0.00 -0.15 -0.04 2.09 1.91 1ojiA1 GLU 379 HB3 0.02 0.00 0.06 -0.04 1.99 2.03 1ojiA1 GLU 379 HG2 0.03 0.00 -0.08 -0.04 2.34 2.25 1ojiA1 GLU 379 HG3 0.04 -0.02 -0.36 -0.04 2.34 1.96 1ojiA1 PRO 380 HA -0.26 0.11 0.47 -0.51 4.44 4.25 1ojiA1 PRO 380 HB2 -0.79 -0.04 -0.02 -0.04 2.28 1.38 1ojiA1 PRO 380 HB3 -0.62 0.02 0.06 -0.04 2.02 1.44 1ojiA1 PRO 380 HG2 -0.11 -0.03 0.00 -0.04 2.03 1.85 1ojiA1 PRO 380 HG3 -0.14 0.18 -0.01 -0.04 2.03 2.02 1ojiA1 PRO 380 HD2 -0.04 0.03 0.10 -0.04 3.68 3.73 1ojiA1 PRO 380 HD3 -0.05 0.24 -0.21 -0.04 3.65 3.58 1ojiA1 PHE 381 H -0.02 0.06 -0.42 -0.55 8.34 7.40 1ojiA1 PHE 381 HA 0.02 0.23 0.86 -0.75 4.62 4.96 1ojiA1 PHE 381 HB2 0.01 -0.08 0.08 -0.04 3.15 3.12 1ojiA1 PHE 381 HB3 -0.00 0.07 0.03 -0.04 3.06 3.11 1ojiA1 PHE 381 HD2 -0.00 0.04 -0.23 -0.04 7.28 7.05 1ojiA1 PHE 381 HE2 -0.00 0.05 -0.17 -0.04 7.38 7.22 1ojiA1 PHE 381 HZ 0.00 0.03 -0.02 -0.04 7.32 7.30 1ojiA1 PRO 382 HA 0.05 0.28 0.69 -0.51 4.44 4.95 1ojiA1 PRO 382 HB2 0.01 -0.13 0.06 -0.04 2.28 2.18 1ojiA1 PRO 382 HB3 -0.00 0.05 0.15 -0.04 2.02 2.19 1ojiA1 PRO 382 HG2 0.10 -0.05 -0.02 -0.04 2.03 2.02 1ojiA1 PRO 382 HG3 0.06 0.14 0.01 -0.04 2.03 2.20 1ojiA1 PRO 382 HD2 0.09 -0.02 0.10 -0.04 3.68 3.80 1ojiA1 PRO 382 HD3 0.03 0.32 -0.47 -0.04 3.65 3.49 1ojiA1 GLU 383 H 0.04 0.33 0.30 -0.55 8.60 8.72 1ojiA1 GLU 383 HA 0.04 0.12 0.54 -0.75 4.29 4.23 1ojiA1 GLU 383 HB2 0.01 0.06 0.07 -0.04 2.09 2.19 1ojiA1 GLU 383 HB3 0.05 0.06 -0.01 -0.04 1.99 2.04 1ojiA1 GLU 383 HG2 0.05 0.07 -0.02 -0.04 2.34 2.40 1ojiA1 GLU 383 HG3 0.02 -0.08 -0.23 -0.04 2.34 2.00 1ojiA1 VAL 384 H -0.02 0.66 0.37 -0.55 8.24 8.69 1ojiA1 VAL 384 HA -0.05 0.22 0.84 -0.75 4.13 4.39 1ojiA1 VAL 384 HB -0.00 0.00 -0.03 -0.04 2.12 2.05 1ojiA1 VAL 384 HG13 -0.19 0.00 -0.01 -0.04 0.97 0.73 1ojiA1 VAL 384 HG23 -0.27 0.02 -0.08 -0.04 0.95 0.59 1ojiA1 THR 385 H -0.12 0.27 0.24 -0.55 8.28 8.13 1ojiA1 THR 385 HA -0.10 0.35 1.07 -0.75 4.39 4.95 1ojiA1 THR 385 HB -0.05 -0.10 0.17 -0.04 4.32 4.30 1ojiA1 THR 385 HG23 -0.00 -0.01 -0.27 -0.04 1.22 0.90 1ojiA1 TYR 386 H -0.03 0.52 0.28 -0.55 8.29 8.51 1ojiA1 TYR 386 HA 0.04 0.28 1.00 -0.75 4.56 5.13 1ojiA1 TYR 386 HB2 -0.00 -0.02 0.09 -0.04 3.06 3.09 1ojiA1 TYR 386 HB3 -0.03 0.01 0.05 -0.04 2.98 2.97 1ojiA1 TYR 386 HD2 -0.04 0.03 -0.05 -0.04 7.15 7.06 1ojiA1 TYR 386 HE2 -0.03 0.00 -0.11 -0.04 6.85 6.66 1ojiA1 THR 387 H 0.20 0.58 0.30 -0.55 8.28 8.81 1ojiA1 THR 387 HA 0.10 0.37 1.03 -0.75 4.39 5.14 1ojiA1 THR 387 HB 0.05 -0.04 -0.04 -0.04 4.32 4.25 1ojiA1 THR 387 HG23 0.05 -0.01 -0.15 -0.04 1.22 1.07 1ojiA1 ASN 388 H 0.13 0.47 0.28 -0.55 8.53 8.87 1ojiA1 ASN 388 HA 0.31 0.09 0.40 -0.75 4.76 4.80 1ojiA1 ASN 388 HB2 0.03 0.01 -0.09 -0.04 2.88 2.79 1ojiA1 ASN 388 HB3 -0.05 0.03 0.12 -0.04 2.79 2.85 1ojiA1 ASN 388 HD21 -0.01 -0.01 -0.06 -0.04 7.03 6.90 1ojiA1 ASN 388 HD22 -0.03 -0.01 -0.09 -0.04 7.74 7.57 1ojiA1 LEU 389 H 0.16 0.12 0.00 -0.55 8.37 8.11 1ojiA1 LEU 389 HA 0.10 0.17 0.63 -0.75 4.35 4.50 1ojiA1 LEU 389 HB2 0.28 -0.07 0.09 -0.04 1.64 1.90 1ojiA1 LEU 389 HB3 0.34 0.00 0.03 -0.04 1.64 1.97 1ojiA1 LEU 389 HG 0.15 0.02 -0.06 -0.04 1.64 1.70 1ojiA1 LEU 389 HD13 0.19 -0.00 -0.10 -0.04 0.93 0.97 1ojiA1 LEU 389 HD23 0.11 0.00 -0.13 -0.04 0.89 0.83 1ojiA1 ARG 390 H -0.24 0.70 0.46 -0.55 8.46 8.82 1ojiA1 ARG 390 HA -0.20 0.22 0.81 -0.75 4.34 4.41 1ojiA1 ARG 390 HB2 -0.07 -0.07 -0.09 -0.04 1.90 1.64 1ojiA1 ARG 390 HB3 0.07 0.03 -0.25 -0.04 1.80 1.61 1ojiA1 ARG 390 HG2 -0.06 0.21 -0.00 -0.04 1.67 1.78 1ojiA1 ARG 390 HG3 -0.05 -0.14 -0.12 -0.04 1.67 1.32 1ojiA1 ARG 390 HD2 -0.20 -0.07 -0.12 -0.04 3.22 2.79 1ojiA1 ARG 390 HD3 -0.19 0.02 -0.15 -0.04 3.22 2.86 1ojiA1 TRP 391 H -0.38 0.51 0.33 -0.55 7.97 7.88 1ojiA1 TRP 391 HA -0.01 0.22 0.89 -0.75 4.62 4.97 1ojiA1 TRP 391 HB2 0.16 0.04 0.16 -0.04 3.23 3.56 1ojiA1 TRP 391 HB3 0.05 -0.04 0.05 -0.04 3.23 3.25 1ojiA1 TRP 391 HD1 -0.01 0.01 -0.12 -0.04 7.22 7.06 1ojiA1 TRP 391 HE1 0.01 0.02 -0.04 -0.04 10.20 10.14 1ojiA1 TRP 391 HE3 -0.23 -0.07 -0.30 -0.04 7.59 6.95 1ojiA1 TRP 391 HZ2 0.02 -0.01 -0.12 -0.04 7.44 7.30 1ojiA1 TRP 391 HZ3 0.08 -0.01 -0.17 -0.04 7.13 6.99 1ojiA1 TRP 391 HH2 0.04 0.00 -0.12 -0.04 7.19 7.07 1ojiA1 GLY 392 H 0.35 0.62 0.37 -0.55 8.43 9.22 1ojiA1 GLY 392 HA2 0.13 0.05 0.34 -0.51 4.01 4.02 1ojiA1 GLY 392 HA3 0.09 0.19 0.93 -0.51 4.01 4.71 1ojiA1 GLU 393 H 0.19 0.56 0.21 -0.55 8.60 9.01 1ojiA1 GLU 393 HA 0.34 0.08 0.41 -0.75 4.29 4.36 1ojiA1 GLU 393 HB2 0.11 -0.11 0.09 -0.04 2.09 2.14 1ojiA1 GLU 393 HB3 0.10 0.13 -0.03 -0.04 1.99 2.15 1ojiA1 GLU 393 HG2 0.17 0.07 0.14 -0.04 2.34 2.68 1ojiA1 GLU 393 HG3 0.25 0.09 0.20 -0.04 2.34 2.84 1ojiA1 ILE 394 H 0.08 0.22 0.23 -0.55 8.25 8.23 1ojiA1 ILE 394 HA 0.17 -0.01 0.39 -0.75 4.18 3.97 1ojiA1 ILE 394 HB 0.04 0.01 0.12 -0.04 1.89 2.02 1ojiA1 ILE 394 HG12 -0.00 0.15 0.07 -0.04 1.49 1.66 1ojiA1 ILE 394 HG13 -0.00 0.01 -0.03 -0.04 1.21 1.15 1ojiA1 ILE 394 HG23 0.11 -0.00 -0.13 -0.04 0.93 0.86 1ojiA1 ILE 394 HD13 0.11 0.00 -0.23 -0.04 0.88 0.72 1ojiA1 GLY 395 H 0.27 0.09 0.11 -0.55 8.43 8.35 1ojiA1 GLY 395 HA2 0.22 -0.01 0.28 -0.51 4.01 3.99 1ojiA1 GLY 395 HA3 0.06 0.12 0.41 -0.51 4.01 4.09 1ojiA1 SER 396 H 0.10 0.48 -0.31 -0.55 8.46 8.18 1ojiA1 SER 396 HA -0.08 0.29 0.75 -0.75 4.49 4.69 1ojiA1 SER 396 HB2 -0.00 0.06 -0.40 -0.04 3.95 3.57 1ojiA1 SER 396 HB3 0.03 -0.10 -0.43 -0.04 3.93 3.39 1ojiA1 THR 397 H 0.14 -0.01 -0.24 -0.55 8.28 7.62 1ojiA1 THR 397 HA -0.01 0.22 0.48 -0.75 4.39 4.33 1ojiA1 THR 397 HB 0.03 0.07 -0.10 -0.04 4.32 4.29 1ojiA1 THR 397 HG23 0.10 0.01 -0.39 -0.04 1.22 0.90 1ojiA1 TYR 398 H -0.25 0.14 -0.49 -0.55 8.29 7.15 1ojiA1 TYR 398 HA -0.03 0.29 0.61 -0.75 4.56 4.67 1ojiA1 TYR 398 HB2 0.04 0.03 -0.15 -0.04 3.06 2.94 1ojiA1 TYR 398 HB3 -0.01 0.04 -0.42 -0.04 2.98 2.55 1ojiA1 TYR 398 HD2 0.08 -0.05 -0.19 -0.04 7.15 6.95 1ojiA1 TYR 398 HE2 0.15 -0.08 -0.08 -0.04 6.85 6.80