============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TRP 15 1.040 69.369 64.572 31.454 -99.200 -91.000 TRP6 15 1.020 70.211 64.773 29.257 -99.200 -91.000 HIS 45 0.900 64.015 53.708 41.019 -99.200 -91.000 TYR 54 0.840 55.891 43.461 41.818 -99.200 -91.000 PHE 56 1.000 58.224 48.120 44.127 -99.200 -91.000 HIS 57 0.900 56.181 55.341 41.528 -99.200 -91.000 PHE 71 1.000 67.537 53.061 56.518 -99.200 -91.000 HIS 79 0.900 52.365 63.703 49.575 -99.200 -91.000 PHE 84 1.000 51.068 54.957 55.173 -99.200 -91.000 TRP 98 1.040 53.393 47.002 52.865 -99.200 -91.000 TRP6 98 1.020 53.773 49.128 53.831 -99.200 -91.000 HIS 109 0.900 64.027 67.802 56.114 -99.200 -91.000 PHE 112 1.000 54.451 68.730 56.286 -99.200 -91.000 PHE 114 1.000 52.645 73.038 53.191 -99.200 -91.000 HIS 115 0.900 56.719 71.069 51.420 -99.200 -91.000 TYR 145 0.840 65.269 66.893 48.292 -99.200 -91.000 PHE 163 1.000 49.394 66.132 64.976 -99.200 -91.000 PHE 166 1.000 53.985 67.679 62.101 -99.200 -91.000 PHE 170 1.000 50.933 71.016 58.033 -99.200 -91.000 HIS 175 0.900 49.381 80.414 58.822 -99.200 -91.000 HIS 177 0.900 55.734 76.191 51.584 -99.200 -91.000 PHE 181 1.000 53.610 80.046 43.861 -99.200 -91.000 PHE 198 1.000 48.744 59.798 55.691 -99.200 -91.000 TYR 211 0.840 72.124 51.857 67.380 -99.200 -91.000 PHE 212 1.000 68.629 49.571 59.672 -99.200 -91.000 TYR 214 0.840 78.983 52.603 63.714 -99.200 -91.000 HIS 218 0.900 81.278 50.398 61.202 -99.200 -91.000 PHE 238 1.000 78.647 67.346 41.071 -99.200 -91.000 TYR 241 0.840 70.735 75.451 39.063 -99.200 -91.000 PHE 243 1.000 65.513 73.993 31.890 -99.200 -91.000 TYR 269 0.840 78.025 46.933 40.314 -99.200 -91.000 TYR 275 0.840 66.818 53.780 23.876 -99.200 -91.000 PHE 284 1.000 67.812 63.699 24.433 -99.200 -91.000 HIS 301 0.900 56.929 48.862 24.710 -99.200 -91.000 TRP 303 1.040 54.196 54.273 27.887 -99.200 -91.000 TRP6 303 1.020 54.290 52.860 26.000 -99.200 -91.000 TRP 315 1.040 71.240 58.747 16.883 -99.200 -91.000 TRP6 315 1.020 70.753 56.559 16.134 -99.200 -91.000 TYR 323 0.840 79.470 66.386 34.234 -99.200 -91.000 HIS 325 0.900 84.090 56.333 35.509 -99.200 -91.000 PHE 330 1.000 78.918 55.662 36.663 -99.200 -91.000 TYR 353 0.840 78.019 67.288 23.936 -99.200 -91.000 TYR 362 0.840 85.782 72.324 30.302 -99.200 -91.000 PHE 363 1.000 77.390 67.731 30.052 -99.200 -91.000 TYR 377 0.840 75.071 62.199 16.513 -99.200 -91.000 TRP 383 1.040 72.243 43.729 17.463 -99.200 -91.000 TRP6 383 1.020 72.966 45.774 18.393 -99.200 -91.000 TRP 393 1.040 81.172 38.198 25.112 -99.200 -91.000 TRP6 393 1.020 80.780 40.518 24.894 -99.200 -91.000 TYR 403 0.840 75.670 50.323 20.876 -99.200 -91.000 PHE 406 1.000 81.935 53.465 19.921 -99.200 -91.000 HIS 410 0.900 84.759 55.380 22.099 -99.200 -91.000 TRP 417 1.040 74.955 42.383 35.898 -99.200 -91.000 TRP6 417 1.020 75.886 43.654 37.663 -99.200 -91.000 PHE 431 1.000 83.077 42.054 35.338 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mf0A1 ALA 27 HA -0.03 0.06 0.17 -0.75 4.34 3.79 1mf0A1 ALA 27 HB3 -0.01 -0.02 0.02 -0.04 1.41 1.35 1mf0A1 ALA 28 H -0.00 0.09 0.11 -0.55 8.40 8.05 1mf0A1 ALA 28 HA 0.03 0.12 0.52 -0.75 4.34 4.25 1mf0A1 ALA 28 HB3 0.02 -0.03 0.08 -0.04 1.41 1.43 1mf0A1 THR 29 H 0.01 0.03 -0.02 -0.55 8.28 7.76 1mf0A1 THR 29 HA 0.07 -0.04 0.35 -0.75 4.39 4.01 1mf0A1 THR 29 HB 0.00 -0.10 0.04 -0.04 4.32 4.22 1mf0A1 THR 29 HG23 -0.02 -0.03 0.08 -0.04 1.22 1.21 1mf0A1 GLY 30 H -0.07 0.07 -0.22 -0.55 8.43 7.67 1mf0A1 GLY 30 HA2 -0.19 0.09 0.24 -0.51 4.01 3.64 1mf0A1 GLY 30 HA3 -0.49 0.25 0.84 -0.51 4.01 4.10 1mf0A1 SER 31 H -0.25 0.71 0.32 -0.55 8.46 8.69 1mf0A1 SER 31 HA -0.10 0.01 0.74 -0.75 4.49 4.39 1mf0A1 SER 31 HB2 -0.09 0.12 0.18 -0.04 3.95 4.11 1mf0A1 SER 31 HB3 -0.11 -0.08 0.16 -0.04 3.93 3.85 1mf0A1 ARG 32 H -0.07 0.05 0.17 -0.55 8.46 8.06 1mf0A1 ARG 32 HA -0.07 0.28 0.71 -0.75 4.34 4.50 1mf0A1 ARG 32 HB2 -0.04 -0.10 0.04 -0.04 1.90 1.75 1mf0A1 ARG 32 HB3 -0.04 -0.04 -0.25 -0.04 1.80 1.42 1mf0A1 ARG 32 HG2 -0.05 0.15 -0.18 -0.04 1.67 1.54 1mf0A1 ARG 32 HG3 -0.05 -0.00 -0.07 -0.04 1.67 1.51 1mf0A1 ARG 32 HD2 -0.03 -0.13 -0.04 -0.04 3.22 2.98 1mf0A1 ARG 32 HD3 -0.04 0.01 -0.28 -0.04 3.22 2.87 1mf0A1 VAL 33 H -0.05 0.74 0.29 -0.55 8.24 8.67 1mf0A1 VAL 33 HA -0.03 0.16 0.73 -0.75 4.13 4.24 1mf0A1 VAL 33 HB -0.03 0.27 0.19 -0.04 2.12 2.52 1mf0A1 VAL 33 HG13 -0.00 -0.05 -0.31 -0.04 0.97 0.57 1mf0A1 VAL 33 HG23 -0.02 -0.01 -0.12 -0.04 0.95 0.76 1mf0A1 THR 34 H -0.01 0.64 0.40 -0.55 8.28 8.77 1mf0A1 THR 34 HA -0.08 0.17 0.91 -0.75 4.39 4.64 1mf0A1 THR 34 HB 0.03 -0.02 0.16 -0.04 4.32 4.46 1mf0A1 THR 34 HG23 0.04 -0.03 -0.11 -0.04 1.22 1.08 1mf0A1 VAL 35 H -0.11 0.89 0.37 -0.55 8.24 8.83 1mf0A1 VAL 35 HA 0.02 0.21 1.15 -0.75 4.13 4.75 1mf0A1 VAL 35 HB -0.02 0.02 0.16 -0.04 2.12 2.25 1mf0A1 VAL 35 HG13 0.04 -0.04 -0.22 -0.04 0.97 0.71 1mf0A1 VAL 35 HG23 -0.00 0.02 -0.23 -0.04 0.95 0.70 1mf0A1 VAL 36 H 0.04 0.63 0.34 -0.55 8.24 8.70 1mf0A1 VAL 36 HA 0.11 0.21 1.01 -0.75 4.13 4.72 1mf0A1 VAL 36 HB 0.01 -0.01 0.23 -0.04 2.12 2.30 1mf0A1 VAL 36 HG13 -0.05 -0.03 -0.11 -0.04 0.97 0.74 1mf0A1 VAL 36 HG23 0.05 0.01 -0.23 -0.04 0.95 0.74 1mf0A1 LEU 37 H 0.09 0.77 0.31 -0.55 8.37 8.99 1mf0A1 LEU 37 HA 0.05 0.15 1.00 -0.75 4.35 4.79 1mf0A1 LEU 37 HB2 0.26 0.01 -0.13 -0.04 1.64 1.74 1mf0A1 LEU 37 HB3 0.12 0.02 0.04 -0.04 1.64 1.78 1mf0A1 LEU 37 HG 0.11 -0.04 -0.40 -0.04 1.64 1.26 1mf0A1 LEU 37 HD13 0.10 -0.00 -0.14 -0.04 0.93 0.85 1mf0A1 LEU 37 HD23 0.06 0.08 -0.18 -0.04 0.89 0.81 1mf0A1 GLY 38 H 0.06 0.24 0.12 -0.55 8.43 8.30 1mf0A1 GLY 38 HA2 -0.02 0.15 0.80 -0.51 4.01 4.44 1mf0A1 GLY 38 HA3 0.02 0.06 0.44 -0.51 4.01 4.02 1mf0A1 ALA 39 H -0.04 0.50 0.31 -0.55 8.40 8.62 1mf0A1 ALA 39 HA 0.14 0.17 0.84 -0.75 4.34 4.73 1mf0A1 ALA 39 HB3 -0.09 0.04 -0.01 -0.04 1.41 1.31 1mf0A1 GLN 40 H -0.04 -0.06 -0.04 -0.55 8.47 7.78 1mf0A1 GLN 40 HA -0.30 0.31 0.92 -0.75 4.36 4.54 1mf0A1 GLN 40 HB2 -0.02 -0.02 0.19 -0.04 2.15 2.26 1mf0A1 GLN 40 HB3 -0.06 0.08 0.17 -0.04 2.02 2.18 1mf0A1 GLN 40 HG2 -0.05 0.06 -0.04 -0.04 2.40 2.32 1mf0A1 GLN 40 HG3 -0.07 -0.02 -0.44 -0.04 2.39 1.83 1mf0A1 GLN 40 HE21 0.02 0.44 0.02 -0.04 6.97 7.42 1mf0A1 GLN 40 HE22 0.05 -0.07 -0.09 -0.04 7.69 7.54 1mf0A1 TRP 41 H 0.13 0.32 0.08 -0.55 7.97 7.95 1mf0A1 TRP 41 HA 0.01 0.09 0.80 -0.75 4.62 4.77 1mf0A1 TRP 41 HB2 -0.10 0.30 0.24 -0.04 3.23 3.62 1mf0A1 TRP 41 HB3 -0.04 -0.08 0.29 -0.04 3.23 3.36 1mf0A1 TRP 41 HD1 0.04 -0.10 -0.21 -0.04 7.22 6.92 1mf0A1 TRP 41 HE1 0.09 0.14 0.07 -0.04 10.20 10.45 1mf0A1 TRP 41 HE3 -0.35 0.02 -0.16 -0.04 7.59 7.06 1mf0A1 TRP 41 HZ2 0.13 0.02 0.00 -0.04 7.44 7.56 1mf0A1 TRP 41 HZ3 -0.41 -0.10 -0.11 -0.04 7.13 6.46 1mf0A1 TRP 41 HH2 0.12 -0.08 -0.03 -0.04 7.19 7.16 1mf0A1 GLY 42 H 0.09 -0.07 -0.37 -0.55 8.43 7.53 1mf0A1 GLY 42 HA2 0.08 0.09 0.15 -0.51 4.01 3.81 1mf0A1 GLY 42 HA3 0.12 0.12 0.31 -0.51 4.01 4.05 1mf0A1 ASP 43 H 0.06 0.09 0.16 -0.55 8.40 8.17 1mf0A1 ASP 43 HA 0.02 -0.04 0.40 -0.75 4.63 4.25 1mf0A1 ASP 43 HB2 0.03 0.22 -0.02 -0.04 2.71 2.90 1mf0A1 ASP 43 HB3 0.01 0.07 0.18 -0.04 2.70 2.92 1mf0A1 GLU 44 H -0.03 -0.05 -0.20 -0.55 8.60 7.78 1mf0A1 GLU 44 HA -0.07 0.26 0.55 -0.75 4.29 4.28 1mf0A1 GLU 44 HB2 -0.06 -0.07 -0.03 -0.04 2.09 1.89 1mf0A1 GLU 44 HB3 -0.06 0.03 -0.17 -0.04 1.99 1.75 1mf0A1 GLU 44 HG2 -0.04 0.03 0.13 -0.04 2.34 2.42 1mf0A1 GLU 44 HG3 -0.02 0.22 -0.09 -0.04 2.34 2.41 1mf0A1 GLY 45 H -0.08 -0.17 -0.09 -0.55 8.43 7.54 1mf0A1 GLY 45 HA2 -0.08 0.10 0.24 -0.51 4.01 3.76 1mf0A1 GLY 45 HA3 -0.08 0.33 0.88 -0.51 4.01 4.62 1mf0A1 LYS 46 H -0.16 -0.07 0.10 -0.55 8.42 7.73 1mf0A1 LYS 46 HA -0.15 0.14 0.36 -0.75 4.32 3.91 1mf0A1 LYS 46 HB2 -0.46 -0.08 0.11 -0.04 1.87 1.40 1mf0A1 LYS 46 HB3 -0.26 0.17 -0.04 -0.04 1.79 1.61 1mf0A1 LYS 46 HG2 -0.09 0.10 -0.23 -0.04 1.46 1.20 1mf0A1 LYS 46 HG3 -0.11 -0.19 -0.07 -0.04 1.46 1.06 1mf0A1 LYS 46 HD2 -0.04 0.25 -0.20 -0.04 1.69 1.67 1mf0A1 LYS 46 HD3 -0.01 -0.10 -0.25 -0.04 1.68 1.27 1mf0A1 LYS 46 HE2 -0.18 0.04 0.01 -0.04 2.99 2.82 1mf0A1 LYS 46 HE3 0.07 0.11 -0.27 -0.04 2.99 2.85 1mf0A1 GLY 47 H -0.28 0.03 -0.10 -0.55 8.43 7.54 1mf0A1 GLY 47 HA2 -0.05 0.06 0.27 -0.51 4.01 3.77 1mf0A1 GLY 47 HA3 -0.00 0.05 0.10 -0.51 4.01 3.65 1mf0A1 LYS 48 H -0.09 0.01 -0.46 -0.55 8.42 7.32 1mf0A1 LYS 48 HA -0.05 0.07 0.46 -0.75 4.32 4.05 1mf0A1 LYS 48 HB2 -0.06 0.05 0.13 -0.04 1.87 1.95 1mf0A1 LYS 48 HB3 -0.09 0.09 0.16 -0.04 1.79 1.91 1mf0A1 LYS 48 HG2 -0.12 -0.04 -0.31 -0.04 1.46 0.95 1mf0A1 LYS 48 HG3 -0.06 0.06 -0.07 -0.04 1.46 1.34 1mf0A1 LYS 48 HD2 -0.05 0.08 0.08 -0.04 1.69 1.77 1mf0A1 LYS 48 HD3 -0.07 -0.13 0.03 -0.04 1.68 1.48 1mf0A1 LYS 48 HE2 -0.04 -0.22 0.11 -0.04 2.99 2.81 1mf0A1 LYS 48 HE3 -0.08 -0.10 -0.07 -0.04 2.99 2.70 1mf0A1 VAL 49 H -0.16 0.42 -0.03 -0.55 8.24 7.92 1mf0A1 VAL 49 HA -0.35 0.08 0.32 -0.75 4.13 3.43 1mf0A1 VAL 49 HB -0.19 -0.02 0.07 -0.04 2.12 1.93 1mf0A1 VAL 49 HG13 -0.50 0.00 -0.17 -0.04 0.97 0.26 1mf0A1 VAL 49 HG23 -0.22 0.04 -0.07 -0.04 0.95 0.65 1mf0A1 VAL 50 H -0.13 0.75 -0.11 -0.55 8.24 8.20 1mf0A1 VAL 50 HA -0.10 0.03 0.25 -0.75 4.13 3.56 1mf0A1 VAL 50 HB -0.05 0.04 0.02 -0.04 2.12 2.08 1mf0A1 VAL 50 HG13 -0.03 -0.02 -0.27 -0.04 0.97 0.61 1mf0A1 VAL 50 HG23 -0.05 0.01 -0.02 -0.04 0.95 0.85 1mf0A1 ASP 51 H -0.07 0.47 -0.34 -0.55 8.40 7.91 1mf0A1 ASP 51 HA -0.05 0.02 0.25 -0.75 4.63 4.10 1mf0A1 ASP 51 HB2 0.00 -0.01 0.04 -0.04 2.71 2.70 1mf0A1 ASP 51 HB3 -0.03 0.15 0.14 -0.04 2.70 2.91 1mf0A1 LEU 52 H -0.14 0.45 -0.22 -0.55 8.37 7.91 1mf0A1 LEU 52 HA -0.08 0.01 0.40 -0.75 4.35 3.93 1mf0A1 LEU 52 HB2 -0.19 0.03 0.09 -0.04 1.64 1.54 1mf0A1 LEU 52 HB3 -0.34 0.11 0.13 -0.04 1.64 1.49 1mf0A1 LEU 52 HG -0.18 -0.01 -0.24 -0.04 1.64 1.17 1mf0A1 LEU 52 HD13 -0.05 0.03 0.01 -0.04 0.93 0.88 1mf0A1 LEU 52 HD23 -0.48 -0.01 -0.09 -0.04 0.89 0.27 1mf0A1 LEU 53 H -0.18 0.44 -0.20 -0.55 8.37 7.89 1mf0A1 LEU 53 HA -0.05 0.08 0.48 -0.75 4.35 4.11 1mf0A1 LEU 53 HB2 -0.08 0.05 -0.02 -0.04 1.64 1.55 1mf0A1 LEU 53 HB3 0.00 -0.04 0.01 -0.04 1.64 1.57 1mf0A1 LEU 53 HG -0.43 0.13 -0.04 -0.04 1.64 1.26 1mf0A1 LEU 53 HD13 -0.05 -0.03 -0.14 -0.04 0.93 0.66 1mf0A1 LEU 53 HD23 -0.11 -0.00 -0.11 -0.04 0.89 0.62 1mf0A1 ALA 54 H -0.06 0.35 -0.40 -0.55 8.40 7.75 1mf0A1 ALA 54 HA -0.02 0.00 0.41 -0.75 4.34 3.98 1mf0A1 ALA 54 HB3 -0.04 0.02 -0.05 -0.04 1.41 1.30 1mf0A1 THR 55 H -0.03 0.33 -0.25 -0.55 8.28 7.78 1mf0A1 THR 55 HA -0.01 -0.02 0.24 -0.75 4.39 3.85 1mf0A1 THR 55 HB 0.00 -0.05 0.00 -0.04 4.32 4.24 1mf0A1 THR 55 HG23 -0.01 0.02 0.06 -0.04 1.22 1.26 1mf0A1 ASP 56 H 0.00 0.07 -0.61 -0.55 8.40 7.31 1mf0A1 ASP 56 HA 0.01 0.05 0.49 -0.75 4.63 4.42 1mf0A1 ASP 56 HB2 0.02 -0.04 0.04 -0.04 2.71 2.69 1mf0A1 ASP 56 HB3 0.02 -0.00 0.03 -0.04 2.70 2.70 1mf0A1 ALA 57 H 0.00 0.11 -0.00 -0.55 8.40 7.97 1mf0A1 ALA 57 HA 0.00 -0.10 0.35 -0.75 4.34 3.84 1mf0A1 ALA 57 HB3 0.00 0.01 -0.03 -0.04 1.41 1.35 1mf0A1 ASP 58 H -0.01 0.55 0.42 -0.55 8.40 8.81 1mf0A1 ASP 58 HA 0.00 0.25 0.83 -0.75 4.63 4.96 1mf0A1 ASP 58 HB2 -0.03 -0.01 0.19 -0.04 2.71 2.82 1mf0A1 ASP 58 HB3 -0.02 -0.01 0.07 -0.04 2.70 2.70 1mf0A1 ILE 59 H 0.00 0.33 0.33 -0.55 8.25 8.37 1mf0A1 ILE 59 HA 0.05 0.44 0.98 -0.75 4.18 4.89 1mf0A1 ILE 59 HB 0.01 -0.12 0.05 -0.04 1.89 1.79 1mf0A1 ILE 59 HG12 0.07 0.14 -0.13 -0.04 1.49 1.53 1mf0A1 ILE 59 HG13 -0.02 -0.10 -0.43 -0.04 1.21 0.62 1mf0A1 ILE 59 HG23 0.14 0.00 -0.20 -0.04 0.93 0.83 1mf0A1 ILE 59 HD13 -0.15 -0.01 -0.13 -0.04 0.88 0.55 1mf0A1 VAL 60 H 0.07 0.64 0.31 -0.55 8.24 8.71 1mf0A1 VAL 60 HA 0.04 0.23 0.99 -0.75 4.13 4.63 1mf0A1 VAL 60 HB -0.00 -0.02 0.03 -0.04 2.12 2.08 1mf0A1 VAL 60 HG13 -0.01 -0.05 -0.13 -0.04 0.97 0.74 1mf0A1 VAL 60 HG23 -0.01 0.02 -0.22 -0.04 0.95 0.71 1mf0A1 SER 61 H 0.07 0.64 0.45 -0.55 8.46 9.08 1mf0A1 SER 61 HA 0.09 0.24 1.09 -0.75 4.49 5.16 1mf0A1 SER 61 HB2 0.23 0.01 0.04 -0.04 3.95 4.19 1mf0A1 SER 61 HB3 0.39 -0.00 -0.14 -0.04 3.93 4.14 1mf0A1 ARG 62 H -0.02 0.58 0.44 -0.55 8.46 8.92 1mf0A1 ARG 62 HA 0.03 0.30 0.95 -0.75 4.34 4.87 1mf0A1 ARG 62 HB2 -0.02 0.00 0.00 -0.04 1.90 1.85 1mf0A1 ARG 62 HB3 -0.06 0.01 0.17 -0.04 1.80 1.88 1mf0A1 ARG 62 HG2 -0.03 0.03 -0.10 -0.04 1.67 1.53 1mf0A1 ARG 62 HG3 -0.01 -0.15 -0.16 -0.04 1.67 1.31 1mf0A1 ARG 62 HD2 0.03 0.06 0.10 -0.04 3.22 3.37 1mf0A1 ARG 62 HD3 0.05 0.36 0.19 -0.04 3.22 3.78 1mf0A1 CYS 63 H 0.03 0.11 0.17 -0.55 8.50 8.26 1mf0A1 CYS 63 HA 0.00 0.22 1.01 -0.75 4.58 5.05 1mf0A1 CYS 63 HB2 0.04 0.05 0.04 -0.04 2.97 3.06 1mf0A1 CYS 63 HB3 0.05 0.07 -0.22 -0.04 2.97 2.83 1mf0A1 GLN 64 H 0.04 0.10 0.15 -0.55 8.47 8.21 1mf0A1 GLN 64 HA 0.08 0.28 0.46 -0.75 4.36 4.42 1mf0A1 GLN 64 HB2 0.04 -0.07 -0.15 -0.04 2.15 1.93 1mf0A1 GLN 64 HB3 0.03 -0.14 -0.08 -0.04 2.02 1.79 1mf0A1 GLN 64 HG2 0.03 -0.03 -0.69 -0.04 2.40 1.67 1mf0A1 GLN 64 HG3 0.02 0.20 -0.10 -0.04 2.39 2.46 1mf0A1 GLN 64 HE21 0.02 0.00 -0.02 -0.04 6.97 6.93 1mf0A1 GLN 64 HE22 0.02 0.24 0.15 -0.04 7.69 8.06 1mf0A1 GLY 65 H 0.23 0.19 0.07 -0.55 8.43 8.37 1mf0A1 GLY 65 HA2 0.19 -0.06 0.29 -0.51 4.01 3.93 1mf0A1 GLY 65 HA3 0.08 0.10 0.61 -0.51 4.01 4.29 1mf0A1 GLY 66 H 0.03 -0.02 0.17 -0.55 8.43 8.06 1mf0A1 GLY 66 HA2 -0.04 0.35 0.73 -0.51 4.01 4.55 1mf0A1 GLY 66 HA3 -0.05 -0.02 0.45 -0.51 4.01 3.88 1mf0A1 ASN 67 H -0.04 0.15 0.13 -0.55 8.53 8.23 1mf0A1 ASN 67 HA 0.04 0.31 0.41 -0.75 4.76 4.76 1mf0A1 ASN 67 HB2 -0.04 0.12 0.12 -0.04 2.88 3.03 1mf0A1 ASN 67 HB3 -0.00 -0.03 -0.02 -0.04 2.79 2.69 1mf0A1 ASN 67 HD21 0.02 -0.01 0.04 -0.04 7.03 7.05 1mf0A1 ASN 67 HD22 0.01 0.00 -0.01 -0.04 7.74 7.71 1mf0A1 ASN 68 H -0.01 -0.13 -0.54 -0.55 8.53 7.31 1mf0A1 ASN 68 HA -0.01 0.11 0.44 -0.75 4.76 4.55 1mf0A1 ASN 68 HB2 0.03 0.03 0.07 -0.04 2.88 2.96 1mf0A1 ASN 68 HB3 -0.00 -0.15 0.07 -0.04 2.79 2.67 1mf0A1 ASN 68 HD21 0.08 -0.01 -0.02 -0.04 7.03 7.03 1mf0A1 ASN 68 HD22 0.06 0.02 -0.02 -0.04 7.74 7.75 1mf0A1 ALA 69 H 0.02 0.19 -0.26 -0.55 8.40 7.80 1mf0A1 ALA 69 HA 0.06 -0.08 0.42 -0.75 4.34 3.98 1mf0A1 ALA 69 HB3 -0.16 0.04 0.13 -0.04 1.41 1.38 1mf0A1 GLY 70 H 0.11 -0.01 0.09 -0.55 8.43 8.07 1mf0A1 GLY 70 HA2 -0.00 0.35 0.73 -0.51 4.01 4.58 1mf0A1 GLY 70 HA3 0.16 0.01 0.33 -0.51 4.01 4.00 1mf0A1 HIS 71 H -0.13 0.80 0.15 -0.55 8.41 8.69 1mf0A1 HIS 71 HA -0.01 0.01 1.03 -0.75 4.63 4.91 1mf0A1 HIS 71 HB2 0.05 0.08 0.06 -0.04 3.26 3.40 1mf0A1 HIS 71 HB3 0.03 -0.07 -0.01 -0.04 3.20 3.11 1mf0A1 HIS 71 HD2 0.02 0.08 -0.56 -0.04 6.97 6.47 1mf0A1 HIS 71 HE1 0.01 0.31 -0.11 -0.04 7.75 7.92 1mf0A1 THR 72 H 0.04 0.08 0.18 -0.55 8.28 8.03 1mf0A1 THR 72 HA -0.02 0.38 0.92 -0.75 4.39 4.91 1mf0A1 THR 72 HB -0.01 -0.11 0.13 -0.04 4.32 4.29 1mf0A1 THR 72 HG23 -0.01 0.04 -0.19 -0.04 1.22 1.02 1mf0A1 VAL 73 H 0.05 0.53 0.25 -0.55 8.24 8.52 1mf0A1 VAL 73 HA 0.06 0.16 0.82 -0.75 4.13 4.42 1mf0A1 VAL 73 HB 0.26 -0.04 0.03 -0.04 2.12 2.32 1mf0A1 VAL 73 HG13 0.13 0.01 -0.17 -0.04 0.97 0.89 1mf0A1 VAL 73 HG23 0.15 0.05 -0.24 -0.04 0.95 0.87 1mf0A1 VAL 74 H 0.05 0.26 0.08 -0.55 8.24 8.08 1mf0A1 VAL 74 HA 0.06 0.41 1.06 -0.75 4.13 4.91 1mf0A1 VAL 74 HB 0.01 0.13 -0.29 -0.04 2.12 1.92 1mf0A1 VAL 74 HG13 0.01 -0.03 -0.26 -0.04 0.97 0.65 1mf0A1 VAL 74 HG23 -0.00 -0.01 -0.26 -0.04 0.95 0.64 1mf0A1 VAL 75 H 0.12 0.62 0.18 -0.55 8.24 8.60 1mf0A1 VAL 75 HA 0.05 -0.03 0.96 -0.75 4.13 4.35 1mf0A1 VAL 75 HB 0.06 0.04 0.03 -0.04 2.12 2.21 1mf0A1 VAL 75 HG13 0.05 -0.03 -0.20 -0.04 0.97 0.76 1mf0A1 VAL 75 HG23 0.19 0.03 -0.08 -0.04 0.95 1.05 1mf0A1 ASP 76 H 0.04 0.10 0.15 -0.55 8.40 8.14 1mf0A1 ASP 76 HA 0.03 0.02 0.35 -0.75 4.63 4.27 1mf0A1 ASP 76 HB2 0.04 -0.02 0.00 -0.04 2.71 2.70 1mf0A1 ASP 76 HB3 0.05 0.13 0.00 -0.04 2.70 2.84 1mf0A1 GLY 77 H 0.02 -0.02 -0.33 -0.55 8.43 7.55 1mf0A1 GLY 77 HA2 -0.00 -0.05 0.29 -0.51 4.01 3.74 1mf0A1 GLY 77 HA3 0.00 0.19 0.64 -0.51 4.01 4.33 1mf0A1 LYS 78 H -0.00 0.52 -0.25 -0.55 8.42 8.13 1mf0A1 LYS 78 HA -0.14 0.18 0.92 -0.75 4.32 4.52 1mf0A1 LYS 78 HB2 -0.07 0.02 0.08 -0.04 1.87 1.87 1mf0A1 LYS 78 HB3 -0.54 0.02 -0.01 -0.04 1.79 1.22 1mf0A1 LYS 78 HG2 -0.09 0.01 0.00 -0.04 1.46 1.34 1mf0A1 LYS 78 HG3 -0.02 0.01 -0.05 -0.04 1.46 1.35 1mf0A1 LYS 78 HD2 0.10 -0.05 0.02 -0.04 1.69 1.71 1mf0A1 LYS 78 HD3 -0.08 0.13 0.07 -0.04 1.68 1.76 1mf0A1 LYS 78 HE2 -0.00 -0.03 0.03 -0.04 2.99 2.95 1mf0A1 LYS 78 HE3 0.03 -0.06 0.02 -0.04 2.99 2.93 1mf0A1 GLU 79 H -0.27 0.25 0.19 -0.55 8.60 8.22 1mf0A1 GLU 79 HA -0.10 0.25 1.12 -0.75 4.29 4.80 1mf0A1 GLU 79 HB2 -0.06 -0.05 -0.07 -0.04 2.09 1.88 1mf0A1 GLU 79 HB3 -0.10 0.00 0.13 -0.04 1.99 1.98 1mf0A1 GLU 79 HG2 -0.06 0.00 -0.28 -0.04 2.34 1.96 1mf0A1 GLU 79 HG3 -0.04 0.04 -0.05 -0.04 2.34 2.26 1mf0A1 TYR 80 H 0.05 0.76 0.39 -0.55 8.29 8.94 1mf0A1 TYR 80 HA -0.23 0.25 0.95 -0.75 4.56 4.77 1mf0A1 TYR 80 HB2 -0.31 -0.09 0.04 -0.04 3.06 2.65 1mf0A1 TYR 80 HB3 -0.96 -0.04 0.02 -0.04 2.98 1.95 1mf0A1 TYR 80 HD2 -0.06 0.00 -0.10 -0.04 7.15 6.95 1mf0A1 TYR 80 HE2 0.05 0.03 -0.13 -0.04 6.85 6.76 1mf0A1 ASP 81 H -0.40 0.24 0.03 -0.55 8.40 7.73 1mf0A1 ASP 81 HA -0.22 0.19 0.66 -0.75 4.63 4.51 1mf0A1 ASP 81 HB2 -0.06 -0.03 -0.03 -0.04 2.71 2.55 1mf0A1 ASP 81 HB3 -0.06 0.05 -0.18 -0.04 2.70 2.47 1mf0A1 PHE 82 H -0.25 0.57 0.20 -0.55 8.34 8.31 1mf0A1 PHE 82 HA -0.23 0.11 0.73 -0.75 4.62 4.47 1mf0A1 PHE 82 HB2 -0.13 -0.04 -0.03 -0.04 3.15 2.91 1mf0A1 PHE 82 HB3 -0.15 0.08 -0.01 -0.04 3.06 2.94 1mf0A1 PHE 82 HD2 -0.09 -0.04 -0.08 -0.04 7.28 7.03 1mf0A1 PHE 82 HE2 -0.16 0.04 -0.10 -0.04 7.38 7.11 1mf0A1 PHE 82 HZ -0.53 0.06 -0.13 -0.04 7.32 6.68 1mf0A1 HIS 83 H 0.04 -0.16 0.17 -0.55 8.41 7.91 1mf0A1 HIS 83 HA -0.11 0.14 0.62 -0.75 4.63 4.53 1mf0A1 HIS 83 HB2 -0.04 -0.13 0.08 -0.04 3.26 3.13 1mf0A1 HIS 83 HB3 -0.05 0.12 0.15 -0.04 3.20 3.38 1mf0A1 HIS 83 HD2 -0.02 -0.05 -0.03 -0.04 6.97 6.83 1mf0A1 HIS 83 HE1 0.00 -0.07 -0.08 -0.04 7.75 7.56 1mf0A1 LEU 84 H 0.03 -0.12 0.18 -0.55 8.37 7.91 1mf0A1 LEU 84 HA -0.06 0.23 0.71 -0.75 4.35 4.48 1mf0A1 LEU 84 HB2 -0.06 -0.04 0.03 -0.04 1.64 1.53 1mf0A1 LEU 84 HB3 -0.10 0.09 -0.15 -0.04 1.64 1.43 1mf0A1 LEU 84 HG -0.11 -0.02 -0.08 -0.04 1.64 1.39 1mf0A1 LEU 84 HD13 -0.07 0.08 -0.09 -0.04 0.93 0.81 1mf0A1 LEU 84 HD23 -0.04 -0.02 -0.14 -0.04 0.89 0.65 1mf0A1 LEU 85 H -0.04 -0.19 0.10 -0.55 8.37 7.70 1mf0A1 LEU 85 HA -0.14 0.18 0.34 -0.75 4.35 3.98 1mf0A1 LEU 85 HB2 -0.08 -0.12 0.02 -0.04 1.64 1.43 1mf0A1 LEU 85 HB3 -0.32 0.18 -0.07 -0.04 1.64 1.40 1mf0A1 LEU 85 HG -0.13 -0.15 0.02 -0.04 1.64 1.34 1mf0A1 LEU 85 HD13 -0.16 0.02 -0.11 -0.04 0.93 0.64 1mf0A1 LEU 85 HD23 -0.30 0.02 -0.10 -0.04 0.89 0.48 1mf0A1 PRO 86 HA -0.09 0.04 0.31 -0.51 4.44 4.18 1mf0A1 PRO 86 HB2 -0.09 0.00 -0.02 -0.04 2.28 2.13 1mf0A1 PRO 86 HB3 -0.04 0.02 -0.15 -0.04 2.02 1.81 1mf0A1 PRO 86 HG2 -0.01 0.06 -0.02 -0.04 2.03 2.02 1mf0A1 PRO 86 HG3 -0.05 0.07 0.02 -0.04 2.03 2.04 1mf0A1 PRO 86 HD2 -0.09 0.11 0.10 -0.04 3.68 3.76 1mf0A1 PRO 86 HD3 -0.09 0.23 0.14 -0.04 3.65 3.89 1mf0A1 SER 87 H -0.07 0.14 0.03 -0.55 8.46 8.02 1mf0A1 SER 87 HA -0.60 0.10 0.26 -0.75 4.49 3.50 1mf0A1 SER 87 HB2 -0.01 -0.01 -0.07 -0.04 3.95 3.82 1mf0A1 SER 87 HB3 0.04 0.07 -0.01 -0.04 3.93 3.99 1mf0A1 GLY 88 H -0.14 0.03 -0.63 -0.55 8.43 7.14 1mf0A1 GLY 88 HA2 -0.10 0.12 0.39 -0.51 4.01 3.91 1mf0A1 GLY 88 HA3 -0.07 0.10 0.10 -0.51 4.01 3.63 1mf0A1 ILE 89 H -0.36 0.44 -0.53 -0.55 8.25 7.26 1mf0A1 ILE 89 HA -0.09 0.16 0.18 -0.75 4.18 3.67 1mf0A1 ILE 89 HB -0.35 0.10 -0.01 -0.04 1.89 1.58 1mf0A1 ILE 89 HG12 -0.11 -0.13 -0.10 -0.04 1.49 1.11 1mf0A1 ILE 89 HG13 0.01 0.02 -0.14 -0.04 1.21 1.06 1mf0A1 ILE 89 HG23 -0.72 -0.03 -0.24 -0.04 0.93 -0.10 1mf0A1 ILE 89 HD13 0.09 0.02 -0.05 -0.04 0.88 0.91 1mf0A1 ILE 90 H -0.25 0.10 -0.67 -0.55 8.25 6.88 1mf0A1 ILE 90 HA -0.09 -0.00 0.22 -0.75 4.18 3.54 1mf0A1 ILE 90 HB -0.13 0.06 -0.06 -0.04 1.89 1.72 1mf0A1 ILE 90 HG12 -0.22 -0.03 -0.09 -0.04 1.49 1.11 1mf0A1 ILE 90 HG13 -0.46 -0.05 -0.09 -0.04 1.21 0.58 1mf0A1 ILE 90 HG23 -0.04 -0.01 -0.25 -0.04 0.93 0.60 1mf0A1 ILE 90 HD13 -0.53 0.00 -0.11 -0.04 0.88 0.20 1mf0A1 ASN 91 H -0.06 0.58 -0.40 -0.55 8.53 8.10 1mf0A1 ASN 91 HA -0.01 -0.06 0.49 -0.75 4.76 4.43 1mf0A1 ASN 91 HB2 -0.03 -0.12 -0.07 -0.04 2.88 2.62 1mf0A1 ASN 91 HB3 -0.02 0.11 -0.03 -0.04 2.79 2.82 1mf0A1 ASN 91 HD21 -0.00 0.31 -0.10 -0.04 7.03 7.20 1mf0A1 ASN 91 HD22 -0.01 -0.09 -0.39 -0.04 7.74 7.21 1mf0A1 THR 92 H 0.01 0.08 0.20 -0.55 8.28 8.03 1mf0A1 THR 92 HA 0.03 0.21 0.54 -0.75 4.39 4.41 1mf0A1 THR 92 HB 0.02 -0.01 0.08 -0.04 4.32 4.38 1mf0A1 THR 92 HG23 0.04 0.02 0.06 -0.04 1.22 1.30 1mf0A1 LYS 93 H 0.01 0.01 -0.09 -0.55 8.42 7.80 1mf0A1 LYS 93 HA 0.01 0.09 0.53 -0.75 4.32 4.20 1mf0A1 LYS 93 HB2 0.01 0.01 0.08 -0.04 1.87 1.93 1mf0A1 LYS 93 HB3 0.01 0.07 0.21 -0.04 1.79 2.04 1mf0A1 LYS 93 HG2 0.01 0.00 0.04 -0.04 1.46 1.47 1mf0A1 LYS 93 HG3 0.01 -0.09 0.01 -0.04 1.46 1.35 1mf0A1 LYS 93 HD2 0.01 -0.02 0.04 -0.04 1.69 1.68 1mf0A1 LYS 93 HD3 0.01 0.07 0.06 -0.04 1.68 1.77 1mf0A1 LYS 93 HE2 0.01 -0.02 0.02 -0.04 2.99 2.96 1mf0A1 LYS 93 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 1mf0A1 ALA 94 H 0.01 0.31 -0.82 -0.55 8.40 7.36 1mf0A1 ALA 94 HA 0.02 0.18 0.78 -0.75 4.34 4.56 1mf0A1 ALA 94 HB3 0.01 0.04 -0.28 -0.04 1.41 1.14 1mf0A1 VAL 95 H 0.04 0.55 0.31 -0.55 8.24 8.59 1mf0A1 VAL 95 HA 0.05 0.27 0.92 -0.75 4.13 4.61 1mf0A1 VAL 95 HB 0.12 -0.08 0.10 -0.04 2.12 2.23 1mf0A1 VAL 95 HG13 0.06 -0.02 -0.22 -0.04 0.97 0.76 1mf0A1 VAL 95 HG23 0.07 0.01 -0.03 -0.04 0.95 0.96 1mf0A1 SER 96 H 0.06 1.06 0.47 -0.55 8.46 9.50 1mf0A1 SER 96 HA 0.07 0.19 1.02 -0.75 4.49 5.01 1mf0A1 SER 96 HB2 0.04 0.08 0.20 -0.04 3.95 4.23 1mf0A1 SER 96 HB3 -0.01 -0.13 0.05 -0.04 3.93 3.81 1mf0A1 PHE 97 H 0.18 0.71 0.53 -0.55 8.34 9.20 1mf0A1 PHE 97 HA -0.04 0.31 1.20 -0.75 4.62 5.34 1mf0A1 PHE 97 HB2 0.12 0.07 -0.17 -0.04 3.15 3.14 1mf0A1 PHE 97 HB3 0.09 -0.08 0.01 -0.04 3.06 3.04 1mf0A1 PHE 97 HD2 -0.04 0.07 -0.08 -0.04 7.28 7.19 1mf0A1 PHE 97 HE2 -0.02 0.00 -0.17 -0.04 7.38 7.16 1mf0A1 PHE 97 HZ 0.12 -0.20 0.02 -0.04 7.32 7.22 1mf0A1 ILE 98 H -0.53 0.58 0.32 -0.55 8.25 8.08 1mf0A1 ILE 98 HA -0.26 0.07 1.04 -0.75 4.18 4.29 1mf0A1 ILE 98 HB -0.21 -0.03 0.27 -0.04 1.89 1.88 1mf0A1 ILE 98 HG12 -0.11 0.09 -0.06 -0.04 1.49 1.36 1mf0A1 ILE 98 HG13 -0.09 0.03 -0.25 -0.04 1.21 0.85 1mf0A1 ILE 98 HG23 -0.15 0.00 -0.11 -0.04 0.93 0.63 1mf0A1 ILE 98 HD13 -0.10 -0.03 -0.16 -0.04 0.88 0.55 1mf0A1 GLY 99 H -0.33 0.55 0.23 -0.55 8.43 8.34 1mf0A1 GLY 99 HA2 -0.51 -0.03 0.54 -0.51 4.01 3.50 1mf0A1 GLY 99 HA3 -0.15 0.25 0.51 -0.51 4.01 4.12 1mf0A1 ASN 100 H 0.01 0.18 0.24 -0.55 8.53 8.42 1mf0A1 ASN 100 HA 0.00 -0.06 0.33 -0.75 4.76 4.28 1mf0A1 ASN 100 HB2 0.08 0.09 -0.11 -0.04 2.88 2.89 1mf0A1 ASN 100 HB3 0.07 -0.21 0.06 -0.04 2.79 2.67 1mf0A1 ASN 100 HD21 0.07 0.35 -0.03 -0.04 7.03 7.37 1mf0A1 ASN 100 HD22 0.07 -0.04 -0.19 -0.04 7.74 7.54 1mf0A1 GLY 101 H 0.02 0.42 -0.04 -0.55 8.43 8.29 1mf0A1 GLY 101 HA2 0.07 0.01 0.42 -0.51 4.01 4.00 1mf0A1 GLY 101 HA3 0.05 0.14 0.43 -0.51 4.01 4.12 1mf0A1 VAL 102 H -0.01 0.27 -0.41 -0.55 8.24 7.54 1mf0A1 VAL 102 HA 0.05 -0.04 0.32 -0.75 4.13 3.71 1mf0A1 VAL 102 HB -0.07 0.16 -0.12 -0.04 2.12 2.05 1mf0A1 VAL 102 HG13 -0.06 0.03 -0.25 -0.04 0.97 0.64 1mf0A1 VAL 102 HG23 -0.04 -0.02 -0.40 -0.04 0.95 0.45 1mf0A1 VAL 103 H -0.08 0.58 0.22 -0.55 8.24 8.42 1mf0A1 VAL 103 HA -0.15 0.30 0.84 -0.75 4.13 4.38 1mf0A1 VAL 103 HB -0.34 -0.08 -0.17 -0.04 2.12 1.49 1mf0A1 VAL 103 HG13 -0.79 0.03 -0.17 -0.04 0.97 -0.01 1mf0A1 VAL 103 HG23 -0.29 -0.03 -0.08 -0.04 0.95 0.51 1mf0A1 ILE 104 H -0.12 0.86 0.26 -0.55 8.25 8.71 1mf0A1 ILE 104 HA -0.09 0.11 0.99 -0.75 4.18 4.43 1mf0A1 ILE 104 HB -0.11 0.03 0.01 -0.04 1.89 1.78 1mf0A1 ILE 104 HG12 -0.10 0.01 -0.28 -0.04 1.49 1.08 1mf0A1 ILE 104 HG13 -0.09 0.06 -0.32 -0.04 1.21 0.82 1mf0A1 ILE 104 HG23 -0.15 -0.02 -0.22 -0.04 0.93 0.49 1mf0A1 ILE 104 HD13 -0.10 0.03 -0.12 -0.04 0.88 0.64 1mf0A1 HIS 105 H -0.03 0.20 0.09 -0.55 8.41 8.13 1mf0A1 HIS 105 HA -0.14 0.35 0.92 -0.75 4.63 5.01 1mf0A1 HIS 105 HB2 -0.11 0.03 0.05 -0.04 3.26 3.19 1mf0A1 HIS 105 HB3 -0.10 -0.05 0.22 -0.04 3.20 3.22 1mf0A1 HIS 105 HD2 -0.05 -0.01 0.05 -0.04 6.97 6.92 1mf0A1 HIS 105 HE1 0.05 -0.11 -0.12 -0.04 7.75 7.53 1mf0A1 LEU 106 H -0.28 0.28 -0.03 -0.55 8.37 7.79 1mf0A1 LEU 106 HA -0.41 0.05 0.27 -0.75 4.35 3.51 1mf0A1 LEU 106 HB2 -0.65 -0.00 0.11 -0.04 1.64 1.06 1mf0A1 LEU 106 HB3 -1.22 0.04 -0.04 -0.04 1.64 0.37 1mf0A1 LEU 106 HG -0.00 0.06 -0.05 -0.04 1.64 1.61 1mf0A1 LEU 106 HD13 -0.10 0.00 -0.06 -0.04 0.93 0.73 1mf0A1 LEU 106 HD23 -0.08 -0.01 -0.03 -0.04 0.89 0.73 1mf0A1 PRO 107 HA 0.01 0.09 0.43 -0.51 4.44 4.47 1mf0A1 PRO 107 HB2 0.04 0.09 -0.01 -0.04 2.28 2.36 1mf0A1 PRO 107 HB3 0.20 0.06 0.09 -0.04 2.02 2.33 1mf0A1 PRO 107 HG2 -1.27 -0.08 -0.01 -0.04 2.03 0.64 1mf0A1 PRO 107 HG3 -0.34 0.04 0.03 -0.04 2.03 1.72 1mf0A1 PRO 107 HD2 -0.85 0.01 -0.17 -0.04 3.68 2.62 1mf0A1 PRO 107 HD3 -0.55 0.15 0.08 -0.04 3.65 3.28 1mf0A1 GLY 108 H -0.29 0.11 -0.21 -0.55 8.43 7.49 1mf0A1 GLY 108 HA2 0.05 0.05 0.36 -0.51 4.01 3.95 1mf0A1 GLY 108 HA3 0.11 0.00 0.32 -0.51 4.01 3.92 1mf0A1 LEU 109 H -0.22 0.46 -0.21 -0.55 8.37 7.84 1mf0A1 LEU 109 HA -0.18 -0.05 0.37 -0.75 4.35 3.73 1mf0A1 LEU 109 HB2 -0.29 -0.10 -0.04 -0.04 1.64 1.17 1mf0A1 LEU 109 HB3 -0.59 0.14 0.14 -0.04 1.64 1.28 1mf0A1 LEU 109 HG -0.61 0.02 -0.35 -0.04 1.64 0.66 1mf0A1 LEU 109 HD13 -0.23 -0.01 -0.08 -0.04 0.93 0.56 1mf0A1 LEU 109 HD23 -0.41 0.02 -0.11 -0.04 0.89 0.35 1mf0A1 PHE 110 H -0.23 0.52 0.04 -0.55 8.34 8.11 1mf0A1 PHE 110 HA -0.01 0.02 0.43 -0.75 4.62 4.29 1mf0A1 PHE 110 HB2 0.12 0.07 0.13 -0.04 3.15 3.43 1mf0A1 PHE 110 HB3 0.16 -0.00 0.02 -0.04 3.06 3.19 1mf0A1 PHE 110 HD2 0.13 -0.01 -0.07 -0.04 7.28 7.29 1mf0A1 PHE 110 HE2 0.23 0.00 -0.06 -0.04 7.38 7.51 1mf0A1 PHE 110 HZ 0.18 0.07 -0.13 -0.04 7.32 7.40 1mf0A1 GLU 111 H 0.11 0.70 -0.10 -0.55 8.60 8.77 1mf0A1 GLU 111 HA 0.10 0.00 0.40 -0.75 4.29 4.03 1mf0A1 GLU 111 HB2 0.09 -0.00 0.07 -0.04 2.09 2.20 1mf0A1 GLU 111 HB3 0.04 0.09 0.17 -0.04 1.99 2.25 1mf0A1 GLU 111 HG2 0.03 0.03 -0.16 -0.04 2.34 2.19 1mf0A1 GLU 111 HG3 0.05 -0.02 0.02 -0.04 2.34 2.35 1mf0A1 GLU 112 H -0.02 0.50 -0.24 -0.55 8.60 8.29 1mf0A1 GLU 112 HA 0.01 0.04 0.40 -0.75 4.29 3.99 1mf0A1 GLU 112 HB2 0.01 0.04 0.19 -0.04 2.09 2.29 1mf0A1 GLU 112 HB3 -0.09 0.21 0.24 -0.04 1.99 2.31 1mf0A1 GLU 112 HG2 0.03 0.04 -0.12 -0.04 2.34 2.25 1mf0A1 GLU 112 HG3 0.17 0.12 0.11 -0.04 2.34 2.70 1mf0A1 ALA 113 H -0.18 0.43 -0.05 -0.55 8.40 8.04 1mf0A1 ALA 113 HA -0.47 0.01 0.40 -0.75 4.34 3.53 1mf0A1 ALA 113 HB3 -0.79 0.01 0.07 -0.04 1.41 0.66 1mf0A1 GLU 114 H 0.04 0.78 -0.02 -0.55 8.60 8.86 1mf0A1 GLU 114 HA 0.11 -0.02 0.41 -0.75 4.29 4.04 1mf0A1 GLU 114 HB2 0.09 0.17 0.22 -0.04 2.09 2.52 1mf0A1 GLU 114 HB3 0.07 0.01 0.01 -0.04 1.99 2.04 1mf0A1 GLU 114 HG2 0.09 -0.02 0.01 -0.04 2.34 2.38 1mf0A1 GLU 114 HG3 0.12 -0.03 0.05 -0.04 2.34 2.44 1mf0A1 LYS 115 H 0.02 0.61 -0.06 -0.55 8.42 8.43 1mf0A1 LYS 115 HA 0.03 -0.02 0.32 -0.75 4.32 3.90 1mf0A1 LYS 115 HB2 0.02 0.07 0.16 -0.04 1.87 2.09 1mf0A1 LYS 115 HB3 0.01 0.14 0.14 -0.04 1.79 2.04 1mf0A1 LYS 115 HG2 0.01 -0.02 0.06 -0.04 1.46 1.48 1mf0A1 LYS 115 HG3 0.02 -0.05 0.02 -0.04 1.46 1.41 1mf0A1 LYS 115 HD2 0.00 0.00 -0.03 -0.04 1.69 1.62 1mf0A1 LYS 115 HD3 -0.00 0.03 -0.29 -0.04 1.68 1.38 1mf0A1 LYS 115 HE2 0.02 -0.02 0.01 -0.04 2.99 2.95 1mf0A1 LYS 115 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 1mf0A1 ASN 116 H -0.01 0.39 -0.38 -0.55 8.53 7.99 1mf0A1 ASN 116 HA 0.07 0.09 0.54 -0.75 4.76 4.71 1mf0A1 ASN 116 HB2 -0.01 0.08 0.12 -0.04 2.88 3.03 1mf0A1 ASN 116 HB3 0.14 -0.09 -0.02 -0.04 2.79 2.77 1mf0A1 ASN 116 HD21 -0.10 -0.04 -0.05 -0.04 7.03 6.80 1mf0A1 ASN 116 HD22 0.00 0.35 0.01 -0.04 7.74 8.06 1mf0A1 GLU 117 H 0.04 0.66 0.09 -0.55 8.60 8.85 1mf0A1 GLU 117 HA 0.15 0.22 0.60 -0.75 4.29 4.51 1mf0A1 GLU 117 HB2 0.12 0.06 0.29 -0.04 2.09 2.52 1mf0A1 GLU 117 HB3 0.16 -0.07 0.07 -0.04 1.99 2.11 1mf0A1 GLU 117 HG2 0.38 0.07 0.07 -0.04 2.34 2.82 1mf0A1 GLU 117 HG3 0.15 0.18 -0.05 -0.04 2.34 2.58 1mf0A1 LYS 118 H 0.07 0.61 -0.06 -0.55 8.42 8.49 1mf0A1 LYS 118 HA 0.06 0.00 0.38 -0.75 4.32 4.01 1mf0A1 LYS 118 HB2 0.04 0.14 0.08 -0.04 1.87 2.09 1mf0A1 LYS 118 HB3 0.03 -0.03 0.21 -0.04 1.79 1.97 1mf0A1 LYS 118 HG2 0.04 -0.03 0.04 -0.04 1.46 1.48 1mf0A1 LYS 118 HG3 0.06 -0.04 0.03 -0.04 1.46 1.47 1mf0A1 LYS 118 HD2 0.03 0.00 0.01 -0.04 1.69 1.70 1mf0A1 LYS 118 HD3 0.04 -0.05 -0.00 -0.04 1.68 1.63 1mf0A1 LYS 118 HE2 0.05 0.14 -0.22 -0.04 2.99 2.91 1mf0A1 LYS 118 HE3 0.04 -0.06 -0.07 -0.04 2.99 2.86 1mf0A1 LYS 119 H 0.08 0.35 -1.19 -0.55 8.42 7.12 1mf0A1 LYS 119 HA 0.02 0.07 0.67 -0.75 4.32 4.32 1mf0A1 LYS 119 HB2 0.02 0.13 -0.17 -0.04 1.87 1.81 1mf0A1 LYS 119 HB3 0.10 0.15 0.07 -0.04 1.79 2.07 1mf0A1 LYS 119 HG2 -0.10 -0.07 0.09 -0.04 1.46 1.35 1mf0A1 LYS 119 HG3 -0.09 -0.02 0.16 -0.04 1.46 1.47 1mf0A1 LYS 119 HD2 -0.05 -0.10 0.02 -0.04 1.69 1.52 1mf0A1 LYS 119 HD3 -0.37 0.05 0.04 -0.04 1.68 1.37 1mf0A1 LYS 119 HE2 -0.08 -0.03 0.07 -0.04 2.99 2.91 1mf0A1 LYS 119 HE3 -0.03 0.17 -0.00 -0.04 2.99 3.08 1mf0A1 GLY 120 H 0.10 0.59 0.29 -0.55 8.43 8.86 1mf0A1 GLY 120 HA2 0.09 -0.04 0.35 -0.51 4.01 3.90 1mf0A1 GLY 120 HA3 0.13 0.18 0.94 -0.51 4.01 4.75 1mf0A1 LEU 121 H 0.17 0.42 0.08 -0.55 8.37 8.49 1mf0A1 LEU 121 HA 0.15 0.07 0.41 -0.75 4.35 4.22 1mf0A1 LEU 121 HB2 0.16 0.03 -0.08 -0.04 1.64 1.71 1mf0A1 LEU 121 HB3 0.14 -0.04 -0.33 -0.04 1.64 1.37 1mf0A1 LEU 121 HG 0.30 -0.12 -0.29 -0.04 1.64 1.49 1mf0A1 LEU 121 HD13 0.10 0.02 -0.17 -0.04 0.93 0.84 1mf0A1 LEU 121 HD23 -0.14 -0.01 -0.11 -0.04 0.89 0.59 1mf0A1 LYS 122 H 0.15 0.30 0.25 -0.55 8.42 8.56 1mf0A1 LYS 122 HA 0.21 0.09 0.97 -0.75 4.32 4.83 1mf0A1 LYS 122 HB2 0.10 0.14 0.03 -0.04 1.87 2.10 1mf0A1 LYS 122 HB3 0.07 -0.00 -0.05 -0.04 1.79 1.77 1mf0A1 LYS 122 HG2 0.11 0.10 -0.12 -0.04 1.46 1.51 1mf0A1 LYS 122 HG3 0.07 -0.00 -0.02 -0.04 1.46 1.46 1mf0A1 LYS 122 HD2 0.07 0.00 0.03 -0.04 1.69 1.75 1mf0A1 LYS 122 HD3 0.05 -0.03 0.06 -0.04 1.68 1.73 1mf0A1 LYS 122 HE2 0.17 -0.16 0.31 -0.04 2.99 3.26 1mf0A1 LYS 122 HE3 0.16 0.13 0.14 -0.04 2.99 3.38 1mf0A1 ASP 123 H 0.04 0.15 0.15 -0.55 8.40 8.19 1mf0A1 ASP 123 HA -0.14 -0.02 0.34 -0.75 4.63 4.06 1mf0A1 ASP 123 HB2 0.02 0.31 0.08 -0.04 2.71 3.07 1mf0A1 ASP 123 HB3 -0.04 -0.01 0.19 -0.04 2.70 2.80 1mf0A1 TRP 124 H 0.22 0.05 -0.44 -0.55 7.97 7.25 1mf0A1 TRP 124 HA 0.00 0.26 0.25 -0.75 4.62 4.37 1mf0A1 TRP 124 HB2 -0.00 0.03 -0.09 -0.04 3.23 3.12 1mf0A1 TRP 124 HB3 0.02 0.06 -0.10 -0.04 3.23 3.17 1mf0A1 TRP 124 HD1 0.06 0.07 -0.18 -0.04 7.22 7.13 1mf0A1 TRP 124 HE1 0.09 0.04 -0.06 -0.04 10.20 10.22 1mf0A1 TRP 124 HE3 -0.00 0.05 -0.34 -0.04 7.59 7.26 1mf0A1 TRP 124 HZ2 0.21 -0.00 -0.05 -0.04 7.44 7.57 1mf0A1 TRP 124 HZ3 -0.03 0.02 -0.12 -0.04 7.13 6.96 1mf0A1 TRP 124 HH2 0.20 -0.01 -0.08 -0.04 7.19 7.25 1mf0A1 GLU 125 H -1.47 -0.00 -0.28 -0.55 8.60 6.30 1mf0A1 GLU 125 HA -0.62 0.05 0.33 -0.75 4.29 3.29 1mf0A1 GLU 125 HB2 -0.43 0.11 -0.07 -0.04 2.09 1.66 1mf0A1 GLU 125 HB3 -1.11 -0.01 0.05 -0.04 1.99 0.87 1mf0A1 GLU 125 HG2 -0.57 -0.15 -0.11 -0.04 2.34 1.47 1mf0A1 GLU 125 HG3 -0.39 0.08 -0.03 -0.04 2.34 1.95 1mf0A1 LYS 126 H -0.21 0.24 -0.34 -0.55 8.42 7.55 1mf0A1 LYS 126 HA -0.08 0.06 0.47 -0.75 4.32 4.01 1mf0A1 LYS 126 HB2 -0.06 0.19 0.13 -0.04 1.87 2.08 1mf0A1 LYS 126 HB3 -0.04 0.01 0.09 -0.04 1.79 1.82 1mf0A1 LYS 126 HG2 -0.05 -0.02 0.05 -0.04 1.46 1.40 1mf0A1 LYS 126 HG3 -0.07 0.01 0.04 -0.04 1.46 1.40 1mf0A1 LYS 126 HD2 -0.19 -0.13 -0.07 -0.04 1.69 1.26 1mf0A1 LYS 126 HD3 -0.13 -0.03 0.07 -0.04 1.68 1.55 1mf0A1 LYS 126 HE2 -0.12 -0.07 0.01 -0.04 2.99 2.76 1mf0A1 LYS 126 HE3 -0.07 0.02 0.02 -0.04 2.99 2.91 1mf0A1 ARG 127 H -0.01 0.47 -0.32 -0.55 8.46 8.04 1mf0A1 ARG 127 HA 0.02 0.19 0.99 -0.75 4.34 4.79 1mf0A1 ARG 127 HB2 0.04 0.15 0.36 -0.04 1.90 2.40 1mf0A1 ARG 127 HB3 0.03 0.00 -0.00 -0.04 1.80 1.78 1mf0A1 ARG 127 HG2 0.06 -0.05 0.02 -0.04 1.67 1.66 1mf0A1 ARG 127 HG3 0.10 -0.05 0.04 -0.04 1.67 1.73 1mf0A1 ARG 127 HD2 0.05 -0.07 0.05 -0.04 3.22 3.20 1mf0A1 ARG 127 HD3 0.03 0.36 0.20 -0.04 3.22 3.77 1mf0A1 LEU 128 H 0.03 0.36 -0.06 -0.55 8.37 8.15 1mf0A1 LEU 128 HA 0.09 0.22 1.11 -0.75 4.35 5.01 1mf0A1 LEU 128 HB2 0.30 -0.05 -0.08 -0.04 1.64 1.78 1mf0A1 LEU 128 HB3 0.20 -0.01 0.05 -0.04 1.64 1.83 1mf0A1 LEU 128 HG 0.09 0.02 -0.39 -0.04 1.64 1.32 1mf0A1 LEU 128 HD13 0.05 0.04 -0.06 -0.04 0.93 0.92 1mf0A1 LEU 128 HD23 0.27 -0.05 -0.15 -0.04 0.89 0.92 1mf0A1 ILE 129 H 0.08 0.56 0.35 -0.55 8.25 8.69 1mf0A1 ILE 129 HA -0.00 0.43 1.05 -0.75 4.18 4.90 1mf0A1 ILE 129 HB 0.04 -0.10 0.05 -0.04 1.89 1.84 1mf0A1 ILE 129 HG12 -0.11 0.15 -0.15 -0.04 1.49 1.35 1mf0A1 ILE 129 HG13 -0.05 -0.04 -0.57 -0.04 1.21 0.52 1mf0A1 ILE 129 HG23 -0.24 -0.01 -0.22 -0.04 0.93 0.42 1mf0A1 ILE 129 HD13 -0.42 -0.02 -0.15 -0.04 0.88 0.24 1mf0A1 ILE 130 H 0.01 0.73 0.11 -0.55 8.25 8.55 1mf0A1 ILE 130 HA -0.11 0.12 1.00 -0.75 4.18 4.43 1mf0A1 ILE 130 HB -0.01 -0.04 -0.06 -0.04 1.89 1.75 1mf0A1 ILE 130 HG12 0.02 0.09 -0.23 -0.04 1.49 1.32 1mf0A1 ILE 130 HG13 -0.00 -0.04 -0.13 -0.04 1.21 1.00 1mf0A1 ILE 130 HG23 -0.07 0.02 -0.10 -0.04 0.93 0.74 1mf0A1 ILE 130 HD13 -0.04 0.00 -0.23 -0.04 0.88 0.58 1mf0A1 SER 131 H -0.26 0.71 0.33 -0.55 8.46 8.69 1mf0A1 SER 131 HA 0.14 0.12 0.59 -0.75 4.49 4.59 1mf0A1 SER 131 HB2 -0.21 0.12 0.23 -0.04 3.95 4.04 1mf0A1 SER 131 HB3 -0.13 0.09 0.06 -0.04 3.93 3.91 1mf0A1 ASP 132 H 0.07 0.54 0.44 -0.55 8.40 8.90 1mf0A1 ASP 132 HA 0.01 0.11 0.42 -0.75 4.63 4.42 1mf0A1 ASP 132 HB2 0.03 -0.07 0.10 -0.04 2.71 2.73 1mf0A1 ASP 132 HB3 0.04 0.11 -0.00 -0.04 2.70 2.80 1mf0A1 ARG 133 H 0.04 0.00 -0.49 -0.55 8.46 7.46 1mf0A1 ARG 133 HA 0.01 0.17 0.94 -0.75 4.34 4.70 1mf0A1 ARG 133 HB2 0.07 -0.07 0.07 -0.04 1.90 1.93 1mf0A1 ARG 133 HB3 0.07 0.10 0.11 -0.04 1.80 2.03 1mf0A1 ARG 133 HG2 0.04 0.07 -0.03 -0.04 1.67 1.70 1mf0A1 ARG 133 HG3 0.06 -0.15 -0.06 -0.04 1.67 1.48 1mf0A1 ARG 133 HD2 0.08 -0.04 0.01 -0.04 3.22 3.23 1mf0A1 ARG 133 HD3 0.06 0.08 0.01 -0.04 3.22 3.34 1mf0A1 ALA 134 H -0.01 0.24 -0.07 -0.55 8.40 8.02 1mf0A1 ALA 134 HA 0.08 0.45 0.65 -0.75 4.34 4.76 1mf0A1 ALA 134 HB3 -0.04 0.05 0.04 -0.04 1.41 1.41 1mf0A1 HIS 135 H 0.16 0.38 0.27 -0.55 8.41 8.66 1mf0A1 HIS 135 HA -0.06 0.17 0.74 -0.75 4.63 4.73 1mf0A1 HIS 135 HB2 -0.16 0.02 0.09 -0.04 3.26 3.17 1mf0A1 HIS 135 HB3 -0.16 -0.07 0.04 -0.04 3.20 2.97 1mf0A1 HIS 135 HD2 -0.01 0.16 0.05 -0.04 6.97 7.13 1mf0A1 HIS 135 HE1 0.02 0.05 -0.10 -0.04 7.75 7.68 1mf0A1 LEU 136 H -0.16 0.55 0.34 -0.55 8.37 8.56 1mf0A1 LEU 136 HA -0.19 0.24 1.01 -0.75 4.35 4.65 1mf0A1 LEU 136 HB2 -0.70 -0.05 0.06 -0.04 1.64 0.91 1mf0A1 LEU 136 HB3 -0.43 -0.04 -0.09 -0.04 1.64 1.04 1mf0A1 LEU 136 HG -0.07 0.02 -0.25 -0.04 1.64 1.30 1mf0A1 LEU 136 HD13 0.26 -0.01 -0.26 -0.04 0.93 0.88 1mf0A1 LEU 136 HD23 -0.05 -0.00 -0.13 -0.04 0.89 0.67 1mf0A1 VAL 137 H -0.16 0.87 0.08 -0.55 8.24 8.48 1mf0A1 VAL 137 HA -0.16 0.08 0.63 -0.75 4.13 3.93 1mf0A1 VAL 137 HB 0.02 -0.10 -0.13 -0.04 2.12 1.87 1mf0A1 VAL 137 HG13 -0.15 0.03 -0.20 -0.04 0.97 0.61 1mf0A1 VAL 137 HG23 -0.20 -0.01 -0.31 -0.04 0.95 0.39 1mf0A1 PHE 138 H 0.15 0.20 0.14 -0.55 8.34 8.27 1mf0A1 PHE 138 HA 0.05 0.17 0.65 -0.75 4.62 4.74 1mf0A1 PHE 138 HB2 -1.60 -0.01 0.08 -0.04 3.15 1.58 1mf0A1 PHE 138 HB3 -0.52 -0.08 0.03 -0.04 3.06 2.46 1mf0A1 PHE 138 HD2 -0.09 -0.02 -0.02 -0.04 7.28 7.10 1mf0A1 PHE 138 HE2 0.25 0.05 -0.07 -0.04 7.38 7.57 1mf0A1 PHE 138 HZ 0.32 0.04 -0.10 -0.04 7.32 7.55 1mf0A1 ASP 139 H 0.34 0.21 0.14 -0.55 8.40 8.55 1mf0A1 ASP 139 HA 0.23 0.10 0.32 -0.75 4.63 4.52 1mf0A1 ASP 139 HB2 0.30 -0.04 0.13 -0.04 2.71 3.05 1mf0A1 ASP 139 HB3 0.20 0.08 -0.01 -0.04 2.70 2.93 1mf0A1 PHE 140 H 0.10 0.09 -0.28 -0.55 8.34 7.69 1mf0A1 PHE 140 HA -0.02 0.12 0.42 -0.75 4.62 4.37 1mf0A1 PHE 140 HB2 -0.14 0.07 -0.00 -0.04 3.15 3.04 1mf0A1 PHE 140 HB3 -0.07 0.03 0.02 -0.04 3.06 3.01 1mf0A1 PHE 140 HD2 -0.47 -0.03 -0.13 -0.04 7.28 6.61 1mf0A1 PHE 140 HE2 -1.43 0.07 -0.11 -0.04 7.38 5.88 1mf0A1 PHE 140 HZ -0.74 0.08 -0.14 -0.04 7.32 6.48 1mf0A1 HIS 141 H -0.71 0.34 -0.28 -0.55 8.41 7.22 1mf0A1 HIS 141 HA -0.14 0.08 0.38 -0.75 4.63 4.19 1mf0A1 HIS 141 HB2 -0.30 0.23 0.13 -0.04 3.26 3.28 1mf0A1 HIS 141 HB3 -0.19 -0.03 0.00 -0.04 3.20 2.95 1mf0A1 HIS 141 HD2 0.09 0.01 -0.11 -0.04 6.97 6.91 1mf0A1 HIS 141 HE1 -0.10 0.09 0.09 -0.04 7.75 7.80 1mf0A1 GLN 142 H -0.08 0.38 -0.27 -0.55 8.47 7.95 1mf0A1 GLN 142 HA -0.08 -0.18 0.05 -0.75 4.36 3.40 1mf0A1 GLN 142 HB2 -0.09 0.16 0.03 -0.04 2.15 2.20 1mf0A1 GLN 142 HB3 -0.12 0.15 0.02 -0.04 2.02 2.02 1mf0A1 GLN 142 HG2 -0.29 0.07 -0.42 -0.04 2.40 1.72 1mf0A1 GLN 142 HG3 -0.34 0.03 -0.17 -0.04 2.39 1.87 1mf0A1 GLN 142 HE21 -0.47 -0.02 0.01 -0.04 6.97 6.45 1mf0A1 GLN 142 HE22 -0.46 0.16 0.03 -0.04 7.69 7.39 1mf0A1 ALA 143 H -0.00 0.24 -0.38 -0.55 8.40 7.71 1mf0A1 ALA 143 HA -0.01 0.08 0.46 -0.75 4.34 4.11 1mf0A1 ALA 143 HB3 0.05 0.03 0.12 -0.04 1.41 1.57 1mf0A1 VAL 144 H 0.00 0.82 0.11 -0.55 8.24 8.62 1mf0A1 VAL 144 HA -0.37 0.04 0.41 -0.75 4.13 3.45 1mf0A1 VAL 144 HB -0.34 0.03 0.09 -0.04 2.12 1.86 1mf0A1 VAL 144 HG13 0.16 0.13 0.04 -0.04 0.97 1.26 1mf0A1 VAL 144 HG23 0.13 0.02 -0.09 -0.04 0.95 0.98 1mf0A1 ASP 145 H -0.05 0.40 -0.55 -0.55 8.40 7.65 1mf0A1 ASP 145 HA -0.04 0.02 0.42 -0.75 4.63 4.27 1mf0A1 ASP 145 HB2 -0.03 0.07 0.12 -0.04 2.71 2.83 1mf0A1 ASP 145 HB3 -0.04 0.32 0.09 -0.04 2.70 3.03 1mf0A1 GLY 146 H -0.05 0.50 -0.07 -0.55 8.43 8.25 1mf0A1 GLY 146 HA2 -0.02 -0.04 0.45 -0.51 4.01 3.89 1mf0A1 GLY 146 HA3 -0.03 0.14 0.35 -0.51 4.01 3.97 1mf0A1 LEU 147 H -0.13 0.54 -0.06 -0.55 8.37 8.17 1mf0A1 LEU 147 HA 0.02 0.02 0.40 -0.75 4.35 4.03 1mf0A1 LEU 147 HB2 -0.62 0.01 0.21 -0.04 1.64 1.19 1mf0A1 LEU 147 HB3 -0.47 0.03 -0.00 -0.04 1.64 1.15 1mf0A1 LEU 147 HG -0.11 -0.03 -0.02 -0.04 1.64 1.45 1mf0A1 LEU 147 HD13 0.15 0.00 -0.01 -0.04 0.93 1.04 1mf0A1 LEU 147 HD23 -0.04 0.06 -0.07 -0.04 0.89 0.79 1mf0A1 GLN 148 H -0.22 0.75 -0.21 -0.55 8.47 8.25 1mf0A1 GLN 148 HA 0.33 0.05 0.37 -0.75 4.36 4.36 1mf0A1 GLN 148 HB2 -0.02 0.11 0.24 -0.04 2.15 2.44 1mf0A1 GLN 148 HB3 0.07 -0.08 0.03 -0.04 2.02 1.99 1mf0A1 GLN 148 HG2 0.29 0.01 0.04 -0.04 2.40 2.69 1mf0A1 GLN 148 HG3 -0.26 0.14 0.07 -0.04 2.39 2.30 1mf0A1 GLN 148 HE21 0.07 -0.07 -0.05 -0.04 6.97 6.88 1mf0A1 GLN 148 HE22 0.16 0.06 -0.03 -0.04 7.69 7.84 1mf0A1 GLU 149 H 0.01 0.41 -0.21 -0.55 8.60 8.27 1mf0A1 GLU 149 HA 0.04 -0.01 0.59 -0.75 4.29 4.15 1mf0A1 GLU 149 HB2 0.01 0.18 0.26 -0.04 2.09 2.50 1mf0A1 GLU 149 HB3 0.03 -0.02 0.02 -0.04 1.99 1.98 1mf0A1 GLU 149 HG2 0.01 0.15 0.10 -0.04 2.34 2.55 1mf0A1 GLU 149 HG3 0.01 -0.02 0.03 -0.04 2.34 2.33 1mf0A1 VAL 150 H 0.04 0.60 0.10 -0.55 8.24 8.43 1mf0A1 VAL 150 HA 0.04 0.01 0.44 -0.75 4.13 3.87 1mf0A1 VAL 150 HB 0.07 0.10 0.12 -0.04 2.12 2.36 1mf0A1 VAL 150 HG13 0.04 -0.00 -0.03 -0.04 0.97 0.94 1mf0A1 VAL 150 HG23 0.03 0.04 0.06 -0.04 0.95 1.04 1mf0A1 GLN 151 H 0.12 0.56 -0.22 -0.55 8.47 8.38 1mf0A1 GLN 151 HA 0.07 0.02 0.38 -0.75 4.36 4.08 1mf0A1 GLN 151 HB2 0.25 0.03 0.10 -0.04 2.15 2.49 1mf0A1 GLN 151 HB3 0.21 0.08 0.10 -0.04 2.02 2.38 1mf0A1 GLN 151 HG2 0.02 -0.03 0.06 -0.04 2.40 2.41 1mf0A1 GLN 151 HG3 -0.03 -0.00 0.00 -0.04 2.39 2.32 1mf0A1 GLN 151 HE21 0.02 -0.02 -0.08 -0.04 6.97 6.84 1mf0A1 GLN 151 HE22 0.01 -0.03 -0.07 -0.04 7.69 7.56 1mf0A1 ARG 152 H 0.07 0.26 -0.46 -0.55 8.46 7.78 1mf0A1 ARG 152 HA 0.04 0.06 0.60 -0.75 4.34 4.28 1mf0A1 ARG 152 HB2 0.04 0.04 0.30 -0.04 1.90 2.25 1mf0A1 ARG 152 HB3 0.04 0.10 0.15 -0.04 1.80 2.05 1mf0A1 ARG 152 HG2 0.03 -0.01 0.10 -0.04 1.67 1.74 1mf0A1 ARG 152 HG3 0.05 0.23 0.14 -0.04 1.67 2.06 1mf0A1 ARG 152 HD2 -0.01 0.02 0.11 -0.04 3.22 3.30 1mf0A1 ARG 152 HD3 -0.02 0.01 0.05 -0.04 3.22 3.22 1mf0A1 GLN 153 H 0.04 0.42 -0.09 -0.55 8.47 8.29 1mf0A1 GLN 153 HA 0.03 -0.08 0.34 -0.75 4.36 3.90 1mf0A1 GLN 153 HB2 0.03 0.06 0.21 -0.04 2.15 2.41 1mf0A1 GLN 153 HB3 0.02 0.04 -0.07 -0.04 2.02 1.97 1mf0A1 GLN 153 HG2 0.04 -0.03 -0.10 -0.04 2.40 2.27 1mf0A1 GLN 153 HG3 0.03 -0.01 -0.07 -0.04 2.39 2.30 1mf0A1 GLN 153 HE21 0.02 0.18 -0.19 -0.04 6.97 6.94 1mf0A1 GLN 153 HE22 0.02 0.02 -0.11 -0.04 7.69 7.58 1mf0A1 ALA 154 H 0.03 0.74 0.07 -0.55 8.40 8.69 1mf0A1 ALA 154 HA 0.02 0.02 0.31 -0.75 4.34 3.94 1mf0A1 ALA 154 HB3 0.03 -0.01 0.08 -0.04 1.41 1.46 1mf0A1 GLN 155 H 0.02 0.03 -1.12 -0.55 8.47 6.86 1mf0A1 GLN 155 HA 0.01 0.19 0.97 -0.75 4.36 4.78 1mf0A1 GLN 155 HB2 0.01 0.06 0.04 -0.04 2.15 2.22 1mf0A1 GLN 155 HB3 0.02 -0.09 0.25 -0.04 2.02 2.15 1mf0A1 GLN 155 HG2 0.01 0.02 -0.18 -0.04 2.40 2.21 1mf0A1 GLN 155 HG3 0.00 -0.02 0.02 -0.04 2.39 2.36 1mf0A1 GLN 155 HE21 0.00 -0.03 0.01 -0.04 6.97 6.91 1mf0A1 GLN 155 HE22 0.01 0.01 -0.03 -0.04 7.69 7.64 1mf0A1 GLU 156 H 0.02 0.30 0.24 -0.55 8.60 8.61 1mf0A1 GLU 156 HA 0.02 0.07 0.51 -0.75 4.29 4.14 1mf0A1 GLU 156 HB2 0.03 0.19 0.27 -0.04 2.09 2.53 1mf0A1 GLU 156 HB3 0.04 -0.04 0.11 -0.04 1.99 2.06 1mf0A1 GLU 156 HG2 0.02 -0.04 0.08 -0.04 2.34 2.35 1mf0A1 GLU 156 HG3 0.02 -0.01 0.11 -0.04 2.34 2.41 1mf0A1 GLY 157 H 0.02 0.31 -0.07 -0.55 8.43 8.15 1mf0A1 GLY 157 HA2 0.02 0.09 0.34 -0.51 4.01 3.95 1mf0A1 GLY 157 HA3 0.02 0.05 0.50 -0.51 4.01 4.07 1mf0A1 LYS 158 H 0.04 0.25 -0.20 -0.55 8.42 7.96 1mf0A1 LYS 158 HA 0.04 0.06 0.60 -0.75 4.32 4.27 1mf0A1 LYS 158 HB2 0.04 0.14 -0.27 -0.04 1.87 1.74 1mf0A1 LYS 158 HB3 0.08 -0.03 -0.08 -0.04 1.79 1.72 1mf0A1 LYS 158 HG2 0.21 0.03 -0.20 -0.04 1.46 1.46 1mf0A1 LYS 158 HG3 0.04 -0.01 0.02 -0.04 1.46 1.47 1mf0A1 LYS 158 HD2 0.06 0.04 -0.05 -0.04 1.69 1.70 1mf0A1 LYS 158 HD3 0.18 -0.03 -0.08 -0.04 1.68 1.71 1mf0A1 LYS 158 HE2 0.15 -0.01 -0.08 -0.04 2.99 3.01 1mf0A1 LYS 158 HE3 -0.11 -0.00 -0.03 -0.04 2.99 2.81 1mf0A1 ASN 159 H 0.08 0.18 0.06 -0.55 8.53 8.31 1mf0A1 ASN 159 HA 0.08 0.26 0.81 -0.75 4.76 5.15 1mf0A1 ASN 159 HB2 0.05 -0.19 0.25 -0.04 2.88 2.95 1mf0A1 ASN 159 HB3 0.05 0.13 -0.08 -0.04 2.79 2.85 1mf0A1 ASN 159 HD21 0.03 0.05 -0.06 -0.04 7.03 7.01 1mf0A1 ASN 159 HD22 0.04 0.07 -0.09 -0.04 7.74 7.71 1mf0A1 ILE 160 H 0.06 0.08 0.17 -0.55 8.25 8.01 1mf0A1 ILE 160 HA 0.35 0.23 0.53 -0.75 4.18 4.55 1mf0A1 ILE 160 HB 0.02 -0.19 0.13 -0.04 1.89 1.81 1mf0A1 ILE 160 HG12 -0.28 0.11 -0.06 -0.04 1.49 1.22 1mf0A1 ILE 160 HG13 -0.08 -0.06 0.05 -0.04 1.21 1.09 1mf0A1 ILE 160 HG23 0.05 0.02 -0.09 -0.04 0.93 0.86 1mf0A1 ILE 160 HD13 -0.12 0.02 0.05 -0.04 0.88 0.79 1mf0A1 GLY 161 H 0.06 -0.01 0.07 -0.55 8.43 8.00 1mf0A1 GLY 161 HA2 0.03 0.08 0.29 -0.51 4.01 3.90 1mf0A1 GLY 161 HA3 0.04 0.11 0.72 -0.51 4.01 4.37 1mf0A1 THR 162 H 0.03 -0.10 0.07 -0.55 8.28 7.73 1mf0A1 THR 162 HA 0.03 0.12 0.33 -0.75 4.39 4.11 1mf0A1 THR 162 HB 0.01 0.06 0.06 -0.04 4.32 4.40 1mf0A1 THR 162 HG23 0.00 -0.13 0.14 -0.04 1.22 1.19 1mf0A1 THR 163 H 0.01 0.02 0.17 -0.55 8.28 7.93 1mf0A1 THR 163 HA 0.01 0.29 0.59 -0.75 4.39 4.53 1mf0A1 THR 163 HB -0.01 0.13 0.13 -0.04 4.32 4.52 1mf0A1 THR 163 HG23 0.03 0.06 0.06 -0.04 1.22 1.32 1mf0A1 LYS 164 H -0.01 -0.09 -0.27 -0.55 8.42 7.50 1mf0A1 LYS 164 HA -0.03 -0.07 0.21 -0.75 4.32 3.68 1mf0A1 LYS 164 HB2 -0.02 0.34 -0.09 -0.04 1.87 2.06 1mf0A1 LYS 164 HB3 -0.03 0.03 0.23 -0.04 1.79 1.98 1mf0A1 LYS 164 HG2 -0.01 -0.06 -0.08 -0.04 1.46 1.27 1mf0A1 LYS 164 HG3 -0.00 0.02 -0.31 -0.04 1.46 1.13 1mf0A1 LYS 164 HD2 -0.00 0.08 -0.11 -0.04 1.69 1.62 1mf0A1 LYS 164 HD3 -0.01 -0.00 -0.00 -0.04 1.68 1.63 1mf0A1 LYS 164 HE2 0.00 -0.04 0.02 -0.04 2.99 2.94 1mf0A1 LYS 164 HE3 0.01 -0.00 -0.06 -0.04 2.99 2.90 1mf0A1 LYS 165 H -0.04 -0.09 -0.16 -0.55 8.42 7.58 1mf0A1 LYS 165 HA -0.12 0.36 0.79 -0.75 4.32 4.59 1mf0A1 LYS 165 HB2 -0.06 -0.18 -0.01 -0.04 1.87 1.58 1mf0A1 LYS 165 HB3 -0.11 -0.02 0.08 -0.04 1.79 1.69 1mf0A1 LYS 165 HG2 -0.05 0.13 -0.35 -0.04 1.46 1.15 1mf0A1 LYS 165 HG3 -0.06 0.06 -0.17 -0.04 1.46 1.24 1mf0A1 LYS 165 HD2 -0.10 -0.09 -0.06 -0.04 1.69 1.40 1mf0A1 LYS 165 HD3 -0.10 0.09 -0.09 -0.04 1.68 1.53 1mf0A1 LYS 165 HE2 -0.07 -0.00 -0.05 -0.04 2.99 2.82 1mf0A1 LYS 165 HE3 -0.06 0.12 -0.07 -0.04 2.99 2.93 1mf0A1 GLY 166 H -0.06 0.09 -0.23 -0.55 8.43 7.68 1mf0A1 GLY 166 HA2 -0.05 0.20 0.08 -0.51 4.01 3.72 1mf0A1 GLY 166 HA3 -0.10 0.10 0.04 -0.51 4.01 3.54 1mf0A1 ILE 167 H -0.07 -0.01 -0.52 -0.55 8.25 7.10 1mf0A1 ILE 167 HA -0.16 0.13 0.24 -0.75 4.18 3.64 1mf0A1 ILE 167 HB 0.03 -0.06 0.07 -0.04 1.89 1.89 1mf0A1 ILE 167 HG12 -0.04 -0.09 -0.06 -0.04 1.49 1.26 1mf0A1 ILE 167 HG13 0.01 -0.01 0.02 -0.04 1.21 1.19 1mf0A1 ILE 167 HG23 0.19 0.03 -0.09 -0.04 0.93 1.01 1mf0A1 ILE 167 HD13 -0.07 0.01 -0.05 -0.04 0.88 0.73 1mf0A1 GLY 168 H 0.00 -0.03 -0.18 -0.55 8.43 7.68 1mf0A1 GLY 168 HA2 0.09 0.08 0.38 -0.51 4.01 4.04 1mf0A1 GLY 168 HA3 0.02 0.09 0.29 -0.51 4.01 3.90 1mf0A1 PRO 169 HA 0.05 0.10 0.39 -0.51 4.44 4.47 1mf0A1 PRO 169 HB2 0.05 -0.02 0.08 -0.04 2.28 2.35 1mf0A1 PRO 169 HB3 0.26 0.07 0.06 -0.04 2.02 2.37 1mf0A1 PRO 169 HG2 0.03 0.10 0.03 -0.04 2.03 2.14 1mf0A1 PRO 169 HG3 0.04 0.12 -0.02 -0.04 2.03 2.13 1mf0A1 PRO 169 HD2 -0.04 -0.11 -0.23 -0.04 3.68 3.26 1mf0A1 PRO 169 HD3 -0.00 0.02 0.06 -0.04 3.65 3.69 1mf0A1 THR 170 H -0.32 0.75 -0.20 -0.55 8.28 7.97 1mf0A1 THR 170 HA -0.93 0.00 0.44 -0.75 4.39 3.15 1mf0A1 THR 170 HB -0.48 0.08 0.06 -0.04 4.32 3.94 1mf0A1 THR 170 HG23 -0.40 0.02 -0.25 -0.04 1.22 0.55 1mf0A1 TYR 171 H -0.15 0.60 0.01 -0.55 8.29 8.19 1mf0A1 TYR 171 HA -0.15 0.03 0.48 -0.75 4.56 4.16 1mf0A1 TYR 171 HB2 -0.07 0.06 0.23 -0.04 3.06 3.24 1mf0A1 TYR 171 HB3 -0.07 0.05 0.10 -0.04 2.98 3.02 1mf0A1 TYR 171 HD2 -0.10 -0.05 -0.01 -0.04 7.15 6.96 1mf0A1 TYR 171 HE2 -0.06 0.01 -0.02 -0.04 6.85 6.73 1mf0A1 SER 172 H 0.02 0.43 -0.18 -0.55 8.46 8.19 1mf0A1 SER 172 HA 0.04 0.07 0.51 -0.75 4.49 4.35 1mf0A1 SER 172 HB2 0.04 -0.01 0.05 -0.04 3.95 3.99 1mf0A1 SER 172 HB3 0.04 0.05 0.10 -0.04 3.93 4.07 1mf0A1 SER 173 H -0.01 0.50 -0.15 -0.55 8.46 8.26 1mf0A1 SER 173 HA 0.11 0.07 0.46 -0.75 4.49 4.36 1mf0A1 SER 173 HB2 0.01 0.14 0.27 -0.04 3.95 4.33 1mf0A1 SER 173 HB3 0.21 -0.12 -0.00 -0.04 3.93 3.97 1mf0A1 LYS 174 H -0.05 0.61 -0.03 -0.55 8.42 8.39 1mf0A1 LYS 174 HA 0.04 -0.05 0.40 -0.75 4.32 3.96 1mf0A1 LYS 174 HB2 -0.55 -0.04 0.11 -0.04 1.87 1.35 1mf0A1 LYS 174 HB3 -0.13 0.13 0.22 -0.04 1.79 1.98 1mf0A1 LYS 174 HG2 -0.17 0.04 -0.24 -0.04 1.46 1.05 1mf0A1 LYS 174 HG3 -0.79 -0.02 -0.00 -0.04 1.46 0.60 1mf0A1 LYS 174 HD2 -0.74 -0.04 0.00 -0.04 1.69 0.87 1mf0A1 LYS 174 HD3 -0.04 -0.02 0.02 -0.04 1.68 1.61 1mf0A1 LYS 174 HE2 -0.05 -0.02 -0.03 -0.04 2.99 2.85 1mf0A1 LYS 174 HE3 -0.10 0.01 -0.02 -0.04 2.99 2.83 1mf0A1 ALA 175 H 0.00 0.55 -0.11 -0.55 8.40 8.29 1mf0A1 ALA 175 HA 0.00 0.03 0.37 -0.75 4.34 3.99 1mf0A1 ALA 175 HB3 0.01 0.01 0.12 -0.04 1.41 1.51 1mf0A1 ALA 176 H 0.03 0.36 -0.29 -0.55 8.40 7.96 1mf0A1 ALA 176 HA 0.03 0.06 0.45 -0.75 4.34 4.12 1mf0A1 ALA 176 HB3 0.04 -0.02 0.13 -0.04 1.41 1.52 1mf0A1 ARG 177 H 0.06 0.36 -0.61 -0.55 8.46 7.72 1mf0A1 ARG 177 HA 0.10 0.04 0.31 -0.75 4.34 4.04 1mf0A1 ARG 177 HB2 0.04 0.18 0.33 -0.04 1.90 2.42 1mf0A1 ARG 177 HB3 0.06 -0.10 0.22 -0.04 1.80 1.94 1mf0A1 ARG 177 HG2 0.04 -0.10 -0.00 -0.04 1.67 1.56 1mf0A1 ARG 177 HG3 0.05 0.08 -0.05 -0.04 1.67 1.71 1mf0A1 ARG 177 HD2 0.03 0.27 -0.08 -0.04 3.22 3.40 1mf0A1 ARG 177 HD3 0.03 0.37 -0.53 -0.04 3.22 3.06 1mf0A1 THR 178 H 0.09 0.41 -0.01 -0.55 8.28 8.23 1mf0A1 THR 178 HA 0.06 0.21 0.84 -0.75 4.39 4.75 1mf0A1 THR 178 HB 0.06 0.06 -0.07 -0.04 4.32 4.34 1mf0A1 THR 178 HG23 0.13 0.03 -0.00 -0.04 1.22 1.34 1mf0A1 GLY 179 H 0.16 0.17 -0.20 -0.55 8.43 8.01 1mf0A1 GLY 179 HA2 0.23 -0.01 0.30 -0.51 4.01 4.02 1mf0A1 GLY 179 HA3 0.24 -0.02 0.19 -0.51 4.01 3.91 1mf0A1 LEU 180 H 0.09 0.12 0.21 -0.55 8.37 8.23 1mf0A1 LEU 180 HA 0.03 0.25 0.86 -0.75 4.35 4.73 1mf0A1 LEU 180 HB2 0.41 -0.10 0.02 -0.04 1.64 1.94 1mf0A1 LEU 180 HB3 0.37 0.02 -0.05 -0.04 1.64 1.94 1mf0A1 LEU 180 HG 0.10 0.10 -0.45 -0.04 1.64 1.34 1mf0A1 LEU 180 HD13 -0.45 -0.03 -0.15 -0.04 0.93 0.26 1mf0A1 LEU 180 HD23 0.02 0.03 0.04 -0.04 0.89 0.94 1mf0A1 ARG 181 H 0.01 0.15 0.14 -0.55 8.46 8.20 1mf0A1 ARG 181 HA -0.16 0.30 1.05 -0.75 4.34 4.77 1mf0A1 ARG 181 HB2 -0.07 -0.14 0.01 -0.04 1.90 1.66 1mf0A1 ARG 181 HB3 -0.15 0.21 -0.16 -0.04 1.80 1.66 1mf0A1 ARG 181 HG2 -0.90 -0.03 -0.47 -0.04 1.67 0.23 1mf0A1 ARG 181 HG3 -0.22 -0.03 -0.11 -0.04 1.67 1.27 1mf0A1 ARG 181 HD2 -0.18 0.38 -0.05 -0.04 3.22 3.33 1mf0A1 ARG 181 HD3 -0.16 0.01 -0.09 -0.04 3.22 2.94 1mf0A1 ILE 182 H -0.04 0.65 0.11 -0.55 8.25 8.42 1mf0A1 ILE 182 HA 0.01 -0.00 0.32 -0.75 4.18 3.75 1mf0A1 ILE 182 HB -0.01 0.03 0.08 -0.04 1.89 1.95 1mf0A1 ILE 182 HG12 -0.04 0.08 -0.04 -0.04 1.49 1.46 1mf0A1 ILE 182 HG13 -0.03 0.10 -0.06 -0.04 1.21 1.18 1mf0A1 ILE 182 HG23 0.01 0.01 -0.20 -0.04 0.93 0.71 1mf0A1 ILE 182 HD13 -0.02 -0.03 -0.07 -0.04 0.88 0.72 1mf0A1 CYS 183 H 0.01 0.41 -0.11 -0.55 8.50 8.26 1mf0A1 CYS 183 HA 0.02 0.07 0.42 -0.75 4.58 4.35 1mf0A1 CYS 183 HB2 0.03 -0.01 0.04 -0.04 2.97 2.98 1mf0A1 CYS 183 HB3 0.02 0.07 0.13 -0.04 2.97 3.16 1mf0A1 ASP 184 H 0.06 0.21 -0.28 -0.55 8.40 7.84 1mf0A1 ASP 184 HA 0.11 0.05 0.41 -0.75 4.63 4.44 1mf0A1 ASP 184 HB2 0.23 0.08 0.14 -0.04 2.71 3.11 1mf0A1 ASP 184 HB3 0.28 -0.00 0.03 -0.04 2.70 2.96 1mf0A1 LEU 185 H 0.05 0.33 -0.35 -0.55 8.37 7.85 1mf0A1 LEU 185 HA -0.74 -0.02 0.32 -0.75 4.35 3.17 1mf0A1 LEU 185 HB2 -0.03 -0.04 0.01 -0.04 1.64 1.54 1mf0A1 LEU 185 HB3 -0.05 0.13 0.05 -0.04 1.64 1.73 1mf0A1 LEU 185 HG -0.32 -0.10 -0.08 -0.04 1.64 1.11 1mf0A1 LEU 185 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 1mf0A1 LEU 185 HD23 -0.28 0.01 -0.08 -0.04 0.89 0.49 1mf0A1 LEU 186 H 0.00 0.36 -0.05 -0.55 8.37 8.13 1mf0A1 LEU 186 HA 0.02 0.03 0.47 -0.75 4.35 4.12 1mf0A1 LEU 186 HB2 0.02 0.01 0.12 -0.04 1.64 1.75 1mf0A1 LEU 186 HB3 0.02 -0.02 -0.02 -0.04 1.64 1.59 1mf0A1 LEU 186 HG 0.02 0.01 0.03 -0.04 1.64 1.66 1mf0A1 LEU 186 HD13 0.02 0.03 -0.04 -0.04 0.93 0.90 1mf0A1 LEU 186 HD23 0.02 -0.00 -0.02 -0.04 0.89 0.85 1mf0A1 SER 187 H 0.04 0.27 -0.40 -0.55 8.46 7.83 1mf0A1 SER 187 HA 0.04 0.03 0.36 -0.75 4.49 4.17 1mf0A1 SER 187 HB2 0.05 0.10 0.12 -0.04 3.95 4.18 1mf0A1 SER 187 HB3 0.07 0.12 0.06 -0.04 3.93 4.14 1mf0A1 ASP 188 H 0.06 0.08 0.12 -0.55 8.40 8.12 1mf0A1 ASP 188 HA 0.09 0.08 0.46 -0.75 4.63 4.51 1mf0A1 ASP 188 HB2 0.06 0.10 0.17 -0.04 2.71 3.00 1mf0A1 ASP 188 HB3 0.07 0.00 0.22 -0.04 2.70 2.95 1mf0A1 PHE 189 H 0.22 0.22 0.28 -0.55 8.34 8.51 1mf0A1 PHE 189 HA 0.08 0.18 0.39 -0.75 4.62 4.52 1mf0A1 PHE 189 HB2 -0.01 0.17 0.20 -0.04 3.15 3.47 1mf0A1 PHE 189 HB3 0.02 -0.06 0.09 -0.04 3.06 3.07 1mf0A1 PHE 189 HD2 -0.05 0.10 -0.05 -0.04 7.28 7.24 1mf0A1 PHE 189 HE2 -0.08 -0.03 -0.11 -0.04 7.38 7.12 1mf0A1 PHE 189 HZ -0.03 0.27 0.07 -0.04 7.32 7.59 1mf0A1 ASP 190 H 0.17 0.10 -0.18 -0.55 8.40 7.95 1mf0A1 ASP 190 HA 0.13 0.07 0.38 -0.75 4.63 4.46 1mf0A1 ASP 190 HB2 0.07 -0.02 0.04 -0.04 2.71 2.77 1mf0A1 ASP 190 HB3 0.06 0.05 -0.01 -0.04 2.70 2.77 1mf0A1 GLU 191 H 0.07 0.17 -0.22 -0.55 8.60 8.08 1mf0A1 GLU 191 HA 0.02 0.07 0.47 -0.75 4.29 4.09 1mf0A1 GLU 191 HB2 0.06 0.14 0.10 -0.04 2.09 2.36 1mf0A1 GLU 191 HB3 0.03 0.02 0.05 -0.04 1.99 2.05 1mf0A1 GLU 191 HG2 0.03 0.02 0.03 -0.04 2.34 2.37 1mf0A1 GLU 191 HG3 0.05 -0.09 0.05 -0.04 2.34 2.31 1mf0A1 PHE 192 H 0.12 0.43 -0.21 -0.55 8.34 8.13 1mf0A1 PHE 192 HA -0.05 0.02 0.37 -0.75 4.62 4.21 1mf0A1 PHE 192 HB2 -0.11 0.28 0.03 -0.04 3.15 3.31 1mf0A1 PHE 192 HB3 -0.48 0.08 0.21 -0.04 3.06 2.83 1mf0A1 PHE 192 HD2 -0.38 0.04 -0.28 -0.04 7.28 6.61 1mf0A1 PHE 192 HE2 0.07 -0.05 -0.15 -0.04 7.38 7.20 1mf0A1 PHE 192 HZ 0.64 -0.07 -0.12 -0.04 7.32 7.73 1mf0A1 SER 193 H -0.11 0.91 0.03 -0.55 8.46 8.75 1mf0A1 SER 193 HA -0.18 -0.07 0.33 -0.75 4.49 3.81 1mf0A1 SER 193 HB2 -0.00 0.13 0.11 -0.04 3.95 4.16 1mf0A1 SER 193 HB3 -0.02 -0.08 0.01 -0.04 3.93 3.80 1mf0A1 ALA 194 H -0.05 0.37 -0.51 -0.55 8.40 7.65 1mf0A1 ALA 194 HA -0.06 -0.00 0.47 -0.75 4.34 4.00 1mf0A1 ALA 194 HB3 -0.03 0.05 0.12 -0.04 1.41 1.50 1mf0A1 ARG 195 H -0.11 0.58 0.05 -0.55 8.46 8.42 1mf0A1 ARG 195 HA -0.10 0.01 0.41 -0.75 4.34 3.91 1mf0A1 ARG 195 HB2 -0.21 0.12 0.26 -0.04 1.90 2.02 1mf0A1 ARG 195 HB3 -0.15 -0.00 -0.01 -0.04 1.80 1.60 1mf0A1 ARG 195 HG2 -0.04 -0.03 0.08 -0.04 1.67 1.64 1mf0A1 ARG 195 HG3 -0.04 0.04 0.08 -0.04 1.67 1.71 1mf0A1 ARG 195 HD2 -0.01 -0.07 0.01 -0.04 3.22 3.10 1mf0A1 ARG 195 HD3 -0.02 0.11 0.02 -0.04 3.22 3.29 1mf0A1 PHE 196 H -0.30 0.85 -0.12 -0.55 8.34 8.22 1mf0A1 PHE 196 HA -0.43 -0.04 0.32 -0.75 4.62 3.72 1mf0A1 PHE 196 HB2 -0.88 0.06 -0.03 -0.04 3.15 2.26 1mf0A1 PHE 196 HB3 -0.37 0.13 0.09 -0.04 3.06 2.88 1mf0A1 PHE 196 HD2 -0.55 0.08 -0.28 -0.04 7.28 6.50 1mf0A1 PHE 196 HE2 -0.49 -0.05 -0.07 -0.04 7.38 6.73 1mf0A1 PHE 196 HZ 0.05 -0.14 -0.05 -0.04 7.32 7.14 1mf0A1 LYS 197 H -0.04 0.71 -0.15 -0.55 8.42 8.38 1mf0A1 LYS 197 HA -0.11 -0.12 0.39 -0.75 4.32 3.72 1mf0A1 LYS 197 HB2 -0.12 0.24 0.34 -0.04 1.87 2.30 1mf0A1 LYS 197 HB3 -0.28 -0.01 0.04 -0.04 1.79 1.49 1mf0A1 LYS 197 HG2 -0.04 -0.08 0.08 -0.04 1.46 1.37 1mf0A1 LYS 197 HG3 -0.05 -0.00 0.04 -0.04 1.46 1.40 1mf0A1 LYS 197 HD2 -0.16 0.04 0.00 -0.04 1.69 1.53 1mf0A1 LYS 197 HD3 -0.16 -0.07 0.08 -0.04 1.68 1.49 1mf0A1 LYS 197 HE2 0.06 -0.09 0.03 -0.04 2.99 2.95 1mf0A1 LYS 197 HE3 0.05 0.03 0.01 -0.04 2.99 3.04 1mf0A1 ASN 198 H -0.20 0.57 -0.15 -0.55 8.53 8.21 1mf0A1 ASN 198 HA -0.26 -0.00 0.48 -0.75 4.76 4.22 1mf0A1 ASN 198 HB2 -0.10 0.15 0.14 -0.04 2.88 3.03 1mf0A1 ASN 198 HB3 -0.07 -0.03 0.04 -0.04 2.79 2.69 1mf0A1 ASN 198 HD21 -0.06 -0.10 -0.07 -0.04 7.03 6.76 1mf0A1 ASN 198 HD22 -0.08 0.01 -0.08 -0.04 7.74 7.55 1mf0A1 LEU 199 H -0.20 0.62 -0.01 -0.55 8.37 8.23 1mf0A1 LEU 199 HA 0.04 0.06 0.43 -0.75 4.35 4.12 1mf0A1 LEU 199 HB2 -0.02 0.19 0.09 -0.04 1.64 1.85 1mf0A1 LEU 199 HB3 -0.23 0.03 0.12 -0.04 1.64 1.51 1mf0A1 LEU 199 HG 0.32 -0.12 -0.17 -0.04 1.64 1.63 1mf0A1 LEU 199 HD13 0.34 0.02 -0.06 -0.04 0.93 1.18 1mf0A1 LEU 199 HD23 0.28 0.00 -0.07 -0.04 0.89 1.07 1mf0A1 ALA 200 H -0.45 0.60 -0.20 -0.55 8.40 7.80 1mf0A1 ALA 200 HA -1.30 -0.05 0.46 -0.75 4.34 2.70 1mf0A1 ALA 200 HB3 -0.56 0.02 0.06 -0.04 1.41 0.89 1mf0A1 HIS 201 H -0.12 0.53 -0.02 -0.55 8.41 8.25 1mf0A1 HIS 201 HA -0.08 0.01 0.41 -0.75 4.63 4.22 1mf0A1 HIS 201 HB2 -0.05 0.11 0.15 -0.04 3.26 3.42 1mf0A1 HIS 201 HB3 -0.04 -0.02 0.04 -0.04 3.20 3.15 1mf0A1 HIS 201 HD2 -0.09 -0.15 -0.01 -0.04 6.97 6.67 1mf0A1 HIS 201 HE1 -0.02 -0.03 -0.01 -0.04 7.75 7.65 1mf0A1 GLN 202 H 0.03 0.40 -0.45 -0.55 8.47 7.90 1mf0A1 GLN 202 HA 0.04 0.06 0.45 -0.75 4.36 4.16 1mf0A1 GLN 202 HB2 0.08 0.13 0.18 -0.04 2.15 2.49 1mf0A1 GLN 202 HB3 -0.00 -0.05 -0.04 -0.04 2.02 1.88 1mf0A1 GLN 202 HG2 0.02 -0.04 0.02 -0.04 2.40 2.36 1mf0A1 GLN 202 HG3 0.02 0.08 0.03 -0.04 2.39 2.48 1mf0A1 GLN 202 HE21 0.02 0.02 -0.03 -0.04 6.97 6.93 1mf0A1 GLN 202 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 1mf0A1 HIS 203 H 0.22 0.40 -0.12 -0.55 8.41 8.38 1mf0A1 HIS 203 HA 0.11 0.05 0.45 -0.75 4.63 4.49 1mf0A1 HIS 203 HB2 -0.09 0.11 0.13 -0.04 3.26 3.37 1mf0A1 HIS 203 HB3 0.11 -0.08 -0.00 -0.04 3.20 3.19 1mf0A1 HIS 203 HD2 0.22 -0.06 -0.03 -0.04 6.97 7.05 1mf0A1 HIS 203 HE1 0.31 -0.01 -0.03 -0.04 7.75 7.98 1mf0A1 GLN 204 H 0.06 0.43 -0.30 -0.55 8.47 8.11 1mf0A1 GLN 204 HA 0.10 0.13 0.29 -0.75 4.36 4.13 1mf0A1 GLN 204 HB2 0.00 0.15 0.06 -0.04 2.15 2.32 1mf0A1 GLN 204 HB3 0.00 0.01 0.01 -0.04 2.02 2.01 1mf0A1 GLN 204 HG2 0.00 0.04 -0.03 -0.04 2.40 2.37 1mf0A1 GLN 204 HG3 -0.04 0.32 0.05 -0.04 2.39 2.67 1mf0A1 GLN 204 HE21 -0.03 -0.12 0.07 -0.04 6.97 6.85 1mf0A1 GLN 204 HE22 -0.01 0.26 0.08 -0.04 7.69 7.98 1mf0A1 SER 205 H 0.05 0.29 -0.60 -0.55 8.46 7.65 1mf0A1 SER 205 HA 0.01 0.04 0.39 -0.75 4.49 4.17 1mf0A1 SER 205 HB2 0.02 0.19 0.09 -0.04 3.95 4.20 1mf0A1 SER 205 HB3 0.00 -0.07 0.06 -0.04 3.93 3.89 1mf0A1 MET 206 H 0.10 0.29 -0.41 -0.55 8.47 7.91 1mf0A1 MET 206 HA -0.04 0.08 0.62 -0.75 4.52 4.43 1mf0A1 MET 206 HB2 0.36 0.07 0.14 -0.04 2.15 2.69 1mf0A1 MET 206 HB3 0.14 -0.07 0.05 -0.04 2.03 2.11 1mf0A1 MET 206 HG2 0.02 -0.02 -0.01 -0.04 2.63 2.58 1mf0A1 MET 206 HG3 0.03 0.17 0.04 -0.04 2.56 2.76 1mf0A1 MET 206 HE3 0.03 -0.01 -0.02 -0.04 2.10 2.06 1mf0A1 PHE 207 H 0.28 0.45 -0.08 -0.55 8.34 8.44 1mf0A1 PHE 207 HA 0.02 0.20 0.84 -0.75 4.62 4.93 1mf0A1 PHE 207 HB2 0.06 0.02 0.18 -0.04 3.15 3.37 1mf0A1 PHE 207 HB3 0.04 -0.17 0.16 -0.04 3.06 3.05 1mf0A1 PHE 207 HD2 0.04 -0.02 -0.10 -0.04 7.28 7.16 1mf0A1 PHE 207 HE2 0.03 0.04 -0.19 -0.04 7.38 7.23 1mf0A1 PHE 207 HZ 0.03 -0.02 -0.08 -0.04 7.32 7.21 1mf0A1 PRO 208 HA 0.04 0.19 0.45 -0.51 4.44 4.61 1mf0A1 PRO 208 HB2 0.00 -0.04 0.05 -0.04 2.28 2.25 1mf0A1 PRO 208 HB3 -0.00 0.06 0.10 -0.04 2.02 2.14 1mf0A1 PRO 208 HG2 -0.01 -0.05 -0.04 -0.04 2.03 1.89 1mf0A1 PRO 208 HG3 -0.03 0.04 0.00 -0.04 2.03 2.00 1mf0A1 PRO 208 HD2 -0.09 0.11 0.02 -0.04 3.68 3.68 1mf0A1 PRO 208 HD3 -0.03 0.27 -0.36 -0.04 3.65 3.48 1mf0A1 THR 209 H 0.11 -0.07 -0.88 -0.55 8.28 6.89 1mf0A1 THR 209 HA 0.05 0.13 0.59 -0.75 4.39 4.40 1mf0A1 THR 209 HB 0.06 0.02 0.00 -0.04 4.32 4.36 1mf0A1 THR 209 HG23 0.18 -0.01 -0.04 -0.04 1.22 1.31 1mf0A1 LEU 210 H 0.15 0.39 0.00 -0.55 8.37 8.37 1mf0A1 LEU 210 HA 0.07 -0.07 0.41 -0.75 4.35 4.01 1mf0A1 LEU 210 HB2 0.12 -0.07 0.12 -0.04 1.64 1.77 1mf0A1 LEU 210 HB3 0.12 0.15 0.13 -0.04 1.64 2.00 1mf0A1 LEU 210 HG 0.04 -0.09 -0.06 -0.04 1.64 1.48 1mf0A1 LEU 210 HD13 0.06 -0.03 -0.30 -0.04 0.93 0.61 1mf0A1 LEU 210 HD23 0.05 -0.01 -0.00 -0.04 0.89 0.89 1mf0A1 GLU 211 H 0.04 0.09 0.23 -0.55 8.60 8.42 1mf0A1 GLU 211 HA 0.02 0.20 0.79 -0.75 4.29 4.54 1mf0A1 GLU 211 HB2 0.03 -0.06 0.09 -0.04 2.09 2.11 1mf0A1 GLU 211 HB3 0.02 -0.06 0.01 -0.04 1.99 1.92 1mf0A1 GLU 211 HG2 0.02 0.05 -0.06 -0.04 2.34 2.30 1mf0A1 GLU 211 HG3 0.03 0.27 0.00 -0.04 2.34 2.60 1mf0A1 ILE 212 H 0.01 0.27 0.10 -0.55 8.25 8.08 1mf0A1 ILE 212 HA 0.06 0.16 0.94 -0.75 4.18 4.59 1mf0A1 ILE 212 HB -0.01 0.03 0.08 -0.04 1.89 1.94 1mf0A1 ILE 212 HG12 0.01 0.02 -0.29 -0.04 1.49 1.19 1mf0A1 ILE 212 HG13 -0.02 0.08 -0.53 -0.04 1.21 0.69 1mf0A1 ILE 212 HG23 0.05 -0.03 -0.18 -0.04 0.93 0.73 1mf0A1 ILE 212 HD13 -0.38 -0.00 -0.08 -0.04 0.88 0.37 1mf0A1 ASP 213 H 0.07 0.21 0.03 -0.55 8.40 8.16 1mf0A1 ASP 213 HA 0.04 0.18 0.59 -0.75 4.63 4.68 1mf0A1 ASP 213 HB2 0.04 0.12 0.09 -0.04 2.71 2.92 1mf0A1 ASP 213 HB3 0.06 0.00 0.20 -0.04 2.70 2.92 1mf0A1 VAL 214 H 0.05 0.58 0.06 -0.55 8.24 8.38 1mf0A1 VAL 214 HA 0.07 -0.00 0.24 -0.75 4.13 3.69 1mf0A1 VAL 214 HB 0.03 -0.07 0.18 -0.04 2.12 2.22 1mf0A1 VAL 214 HG13 -0.00 0.02 -0.13 -0.04 0.97 0.82 1mf0A1 VAL 214 HG23 0.09 0.08 0.09 -0.04 0.95 1.17 1mf0A1 GLU 215 H 0.01 0.17 -0.04 -0.55 8.60 8.20 1mf0A1 GLU 215 HA -0.02 0.06 0.34 -0.75 4.29 3.91 1mf0A1 GLU 215 HB2 0.00 0.00 0.03 -0.04 2.09 2.09 1mf0A1 GLU 215 HB3 -0.00 0.06 0.04 -0.04 1.99 2.05 1mf0A1 GLU 215 HG2 0.01 -0.05 0.09 -0.04 2.34 2.34 1mf0A1 GLU 215 HG3 0.01 0.08 0.03 -0.04 2.34 2.41 1mf0A1 GLY 216 H 0.01 0.15 -0.38 -0.55 8.43 7.67 1mf0A1 GLY 216 HA2 0.00 0.08 0.41 -0.51 4.01 3.99 1mf0A1 GLY 216 HA3 0.02 0.04 0.34 -0.51 4.01 3.90 1mf0A1 GLN 217 H 0.05 0.39 0.07 -0.55 8.47 8.43 1mf0A1 GLN 217 HA 0.11 0.01 0.40 -0.75 4.36 4.12 1mf0A1 GLN 217 HB2 0.03 0.09 0.11 -0.04 2.15 2.34 1mf0A1 GLN 217 HB3 0.22 -0.09 0.04 -0.04 2.02 2.15 1mf0A1 GLN 217 HG2 0.17 -0.01 0.07 -0.04 2.40 2.59 1mf0A1 GLN 217 HG3 0.12 0.17 0.08 -0.04 2.39 2.72 1mf0A1 GLN 217 HE21 0.27 -0.02 -0.05 -0.04 6.97 7.13 1mf0A1 GLN 217 HE22 0.17 0.06 -0.01 -0.04 7.69 7.87 1mf0A1 LEU 218 H -0.16 0.72 -0.06 -0.55 8.37 8.33 1mf0A1 LEU 218 HA -0.18 -0.03 0.35 -0.75 4.35 3.74 1mf0A1 LEU 218 HB2 -0.13 0.15 0.02 -0.04 1.64 1.64 1mf0A1 LEU 218 HB3 0.05 0.03 -0.08 -0.04 1.64 1.61 1mf0A1 LEU 218 HG -0.94 -0.05 -0.02 -0.04 1.64 0.59 1mf0A1 LEU 218 HD13 -0.10 -0.00 -0.10 -0.04 0.93 0.69 1mf0A1 LEU 218 HD23 -0.15 -0.01 0.01 -0.04 0.89 0.70 1mf0A1 LYS 219 H -0.01 0.66 -0.21 -0.55 8.42 8.30 1mf0A1 LYS 219 HA -0.06 -0.00 0.48 -0.75 4.32 3.99 1mf0A1 LYS 219 HB2 -0.03 0.24 0.30 -0.04 1.87 2.34 1mf0A1 LYS 219 HB3 -0.06 -0.06 0.02 -0.04 1.79 1.65 1mf0A1 LYS 219 HG2 -0.04 -0.04 0.04 -0.04 1.46 1.38 1mf0A1 LYS 219 HG3 -0.07 -0.04 0.07 -0.04 1.46 1.38 1mf0A1 LYS 219 HD2 0.00 -0.03 0.10 -0.04 1.69 1.72 1mf0A1 LYS 219 HD3 -0.01 -0.09 0.06 -0.04 1.68 1.60 1mf0A1 LYS 219 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.92 1mf0A1 LYS 219 HE3 -0.03 0.01 0.00 -0.04 2.99 2.94 1mf0A1 ARG 220 H -0.01 0.60 0.02 -0.55 8.46 8.52 1mf0A1 ARG 220 HA -0.21 0.04 0.52 -0.75 4.34 3.94 1mf0A1 ARG 220 HB2 0.05 0.05 0.19 -0.04 1.90 2.15 1mf0A1 ARG 220 HB3 -0.21 -0.08 0.07 -0.04 1.80 1.53 1mf0A1 ARG 220 HG2 -0.11 0.00 0.04 -0.04 1.67 1.57 1mf0A1 ARG 220 HG3 -0.02 0.12 0.01 -0.04 1.67 1.74 1mf0A1 ARG 220 HD2 -0.04 -0.02 0.02 -0.04 3.22 3.13 1mf0A1 ARG 220 HD3 -0.02 0.02 -0.00 -0.04 3.22 3.18 1mf0A1 LEU 221 H 0.11 0.73 -0.13 -0.55 8.37 8.53 1mf0A1 LEU 221 HA 0.48 -0.08 0.39 -0.75 4.35 4.38 1mf0A1 LEU 221 HB2 0.23 0.21 0.18 -0.04 1.64 2.23 1mf0A1 LEU 221 HB3 0.27 -0.00 -0.04 -0.04 1.64 1.83 1mf0A1 LEU 221 HG 0.36 -0.01 -0.03 -0.04 1.64 1.92 1mf0A1 LEU 221 HD13 0.41 -0.03 -0.11 -0.04 0.93 1.15 1mf0A1 LEU 221 HD23 0.46 -0.02 -0.02 -0.04 0.89 1.27 1mf0A1 LYS 222 H 0.03 0.44 -0.20 -0.55 8.42 8.14 1mf0A1 LYS 222 HA -0.05 0.05 0.43 -0.75 4.32 4.00 1mf0A1 LYS 222 HB2 -0.95 -0.01 0.15 -0.04 1.87 1.02 1mf0A1 LYS 222 HB3 -0.29 0.17 0.15 -0.04 1.79 1.78 1mf0A1 LYS 222 HG2 -0.25 0.00 -0.13 -0.04 1.46 1.04 1mf0A1 LYS 222 HG3 -0.47 -0.01 0.10 -0.04 1.46 1.04 1mf0A1 LYS 222 HD2 -0.66 -0.04 0.03 -0.04 1.69 0.98 1mf0A1 LYS 222 HD3 -0.32 0.02 0.02 -0.04 1.68 1.36 1mf0A1 LYS 222 HE2 -0.20 -0.02 0.01 -0.04 2.99 2.74 1mf0A1 LYS 222 HE3 -0.18 0.01 -0.00 -0.04 2.99 2.78 1mf0A1 GLY 223 H -0.16 0.33 -0.34 -0.55 8.43 7.71 1mf0A1 GLY 223 HA2 -0.14 0.06 0.47 -0.51 4.01 3.88 1mf0A1 GLY 223 HA3 -0.26 0.05 0.35 -0.51 4.01 3.64 1mf0A1 PHE 224 H -0.25 0.50 0.05 -0.55 8.34 8.08 1mf0A1 PHE 224 HA -0.03 -0.01 0.32 -0.75 4.62 4.15 1mf0A1 PHE 224 HB2 0.10 0.14 0.13 -0.04 3.15 3.49 1mf0A1 PHE 224 HB3 0.23 -0.07 -0.02 -0.04 3.06 3.15 1mf0A1 PHE 224 HD2 -0.00 0.00 -0.08 -0.04 7.28 7.16 1mf0A1 PHE 224 HE2 0.07 -0.01 -0.06 -0.04 7.38 7.33 1mf0A1 PHE 224 HZ 0.06 -0.02 -0.00 -0.04 7.32 7.32 1mf0A1 ALA 225 H 0.15 0.60 -0.39 -0.55 8.40 8.21 1mf0A1 ALA 225 HA 0.10 -0.05 0.38 -0.75 4.34 4.02 1mf0A1 ALA 225 HB3 0.05 0.06 0.08 -0.04 1.41 1.56 1mf0A1 GLU 226 H -0.00 0.53 0.02 -0.55 8.60 8.61 1mf0A1 GLU 226 HA 0.01 0.02 0.42 -0.75 4.29 3.98 1mf0A1 GLU 226 HB2 -0.05 0.07 0.13 -0.04 2.09 2.20 1mf0A1 GLU 226 HB3 -0.03 -0.05 0.13 -0.04 1.99 2.00 1mf0A1 GLU 226 HG2 -0.07 0.32 0.21 -0.04 2.34 2.76 1mf0A1 GLU 226 HG3 -0.06 -0.08 0.08 -0.04 2.34 2.24 1mf0A1 ARG 227 H 0.06 0.28 -0.56 -0.55 8.46 7.69 1mf0A1 ARG 227 HA 0.01 0.09 0.61 -0.75 4.34 4.30 1mf0A1 ARG 227 HB2 -0.09 0.01 -0.02 -0.04 1.90 1.76 1mf0A1 ARG 227 HB3 0.06 0.01 0.10 -0.04 1.80 1.92 1mf0A1 ARG 227 HG2 0.08 -0.02 -0.13 -0.04 1.67 1.57 1mf0A1 ARG 227 HG3 -0.05 0.01 0.02 -0.04 1.67 1.61 1mf0A1 ARG 227 HD2 -0.31 0.00 -0.06 -0.04 3.22 2.81 1mf0A1 ARG 227 HD3 -1.03 -0.06 -0.06 -0.04 3.22 2.03 1mf0A1 ILE 228 H 0.21 0.76 0.13 -0.55 8.25 8.80 1mf0A1 ILE 228 HA 0.23 0.02 0.48 -0.75 4.18 4.16 1mf0A1 ILE 228 HB 0.27 -0.06 0.09 -0.04 1.89 2.15 1mf0A1 ILE 228 HG12 0.04 -0.08 -0.07 -0.04 1.49 1.34 1mf0A1 ILE 228 HG13 0.06 -0.00 -0.08 -0.04 1.21 1.15 1mf0A1 ILE 228 HG23 0.10 0.04 0.02 -0.04 0.93 1.05 1mf0A1 ILE 228 HD13 0.04 -0.01 -0.04 -0.04 0.88 0.83 1mf0A1 ARG 229 H 0.07 0.54 -0.12 -0.55 8.46 8.40 1mf0A1 ARG 229 HA 0.04 -0.09 0.30 -0.75 4.34 3.83 1mf0A1 ARG 229 HB2 0.03 0.05 0.09 -0.04 1.90 2.02 1mf0A1 ARG 229 HB3 0.02 0.14 0.05 -0.04 1.80 1.97 1mf0A1 ARG 229 HG2 0.01 0.03 -0.28 -0.04 1.67 1.39 1mf0A1 ARG 229 HG3 0.02 -0.07 0.02 -0.04 1.67 1.59 1mf0A1 ARG 229 HD2 0.01 0.01 0.01 -0.04 3.22 3.21 1mf0A1 ARG 229 HD3 0.00 -0.03 -0.02 -0.04 3.22 3.13 1mf0A1 PRO 230 HA 0.00 0.08 0.54 -0.51 4.44 4.54 1mf0A1 PRO 230 HB2 -0.03 0.04 0.02 -0.04 2.28 2.27 1mf0A1 PRO 230 HB3 -0.01 -0.04 0.10 -0.04 2.02 2.02 1mf0A1 PRO 230 HG2 -0.01 0.05 0.01 -0.04 2.03 2.03 1mf0A1 PRO 230 HG3 -0.02 -0.02 0.04 -0.04 2.03 2.00 1mf0A1 PRO 230 HD2 0.04 0.14 -0.64 -0.04 3.68 3.18 1mf0A1 PRO 230 HD3 0.01 0.11 0.01 -0.04 3.65 3.74 1mf0A1 MET 231 H 0.02 0.45 -0.15 -0.55 8.47 8.24 1mf0A1 MET 231 HA -0.01 0.24 0.79 -0.75 4.52 4.79 1mf0A1 MET 231 HB2 0.04 -0.06 0.05 -0.04 2.15 2.14 1mf0A1 MET 231 HB3 0.02 0.06 0.08 -0.04 2.03 2.15 1mf0A1 MET 231 HG2 -0.05 0.27 0.08 -0.04 2.63 2.89 1mf0A1 MET 231 HG3 -0.01 -0.05 0.02 -0.04 2.56 2.48 1mf0A1 MET 231 HE3 0.19 -0.00 -0.00 -0.04 2.10 2.24 1mf0A1 VAL 232 H 0.02 0.32 -0.19 -0.55 8.24 7.84 1mf0A1 VAL 232 HA 0.02 0.15 0.71 -0.75 4.13 4.25 1mf0A1 VAL 232 HB 0.02 0.14 0.08 -0.04 2.12 2.32 1mf0A1 VAL 232 HG13 0.02 -0.03 -0.17 -0.04 0.97 0.75 1mf0A1 VAL 232 HG23 0.02 0.02 -0.14 -0.04 0.95 0.82 1mf0A1 ARG 233 H 0.04 0.56 0.37 -0.55 8.46 8.88 1mf0A1 ARG 233 HA 0.04 0.13 0.58 -0.75 4.34 4.33 1mf0A1 ARG 233 HB2 -0.03 -0.00 -0.17 -0.04 1.90 1.65 1mf0A1 ARG 233 HB3 0.07 -0.09 0.03 -0.04 1.80 1.76 1mf0A1 ARG 233 HG2 0.03 -0.02 0.05 -0.04 1.67 1.68 1mf0A1 ARG 233 HG3 -0.01 0.21 -0.78 -0.04 1.67 1.05 1mf0A1 ARG 233 HD2 -0.12 0.02 -0.14 -0.04 3.22 2.94 1mf0A1 ARG 233 HD3 0.02 -0.09 -0.07 -0.04 3.22 3.04 1mf0A1 ASP 234 H 0.10 0.24 0.14 -0.55 8.40 8.33 1mf0A1 ASP 234 HA 0.11 -0.00 0.61 -0.75 4.63 4.60 1mf0A1 ASP 234 HB2 0.05 0.11 0.18 -0.04 2.71 3.02 1mf0A1 ASP 234 HB3 0.18 -0.04 0.21 -0.04 2.70 3.01 1mf0A1 GLY 235 H 0.19 0.06 0.32 -0.55 8.43 8.45 1mf0A1 GLY 235 HA2 0.47 0.14 0.32 -0.51 4.01 4.44 1mf0A1 GLY 235 HA3 0.39 0.02 0.37 -0.51 4.01 4.28 1mf0A1 VAL 236 H 0.19 0.01 -0.05 -0.55 8.24 7.83 1mf0A1 VAL 236 HA 0.17 0.28 0.42 -0.75 4.13 4.24 1mf0A1 VAL 236 HB 0.13 -0.14 0.10 -0.04 2.12 2.17 1mf0A1 VAL 236 HG13 0.07 0.05 -0.08 -0.04 0.97 0.97 1mf0A1 VAL 236 HG23 0.10 0.01 0.05 -0.04 0.95 1.07 1mf0A1 TYR 237 H 0.27 -0.02 -0.18 -0.55 8.29 7.81 1mf0A1 TYR 237 HA 0.10 0.09 0.38 -0.75 4.56 4.38 1mf0A1 TYR 237 HB2 0.06 -0.03 0.10 -0.04 3.06 3.15 1mf0A1 TYR 237 HB3 0.10 -0.00 0.14 -0.04 2.98 3.18 1mf0A1 TYR 237 HD2 0.07 -0.00 -0.05 -0.04 7.15 7.13 1mf0A1 TYR 237 HE2 0.06 0.03 -0.03 -0.04 6.85 6.87 1mf0A1 PHE 238 H 0.39 0.52 -0.07 -0.55 8.34 8.62 1mf0A1 PHE 238 HA -0.04 0.01 0.30 -0.75 4.62 4.13 1mf0A1 PHE 238 HB2 0.04 -0.03 0.02 -0.04 3.15 3.13 1mf0A1 PHE 238 HB3 -0.06 -0.02 0.08 -0.04 3.06 3.02 1mf0A1 PHE 238 HD2 -0.52 -0.02 -0.10 -0.04 7.28 6.60 1mf0A1 PHE 238 HE2 -0.52 0.00 -0.14 -0.04 7.38 6.69 1mf0A1 PHE 238 HZ -0.19 0.05 -0.15 -0.04 7.32 6.98 1mf0A1 MET 239 H 0.12 0.62 -0.14 -0.55 8.47 8.53 1mf0A1 MET 239 HA -0.44 -0.01 0.35 -0.75 4.52 3.66 1mf0A1 MET 239 HB2 0.09 -0.09 0.08 -0.04 2.15 2.19 1mf0A1 MET 239 HB3 0.11 0.15 0.07 -0.04 2.03 2.32 1mf0A1 MET 239 HG2 0.10 -0.04 -0.13 -0.04 2.63 2.52 1mf0A1 MET 239 HG3 0.01 0.04 -0.22 -0.04 2.56 2.34 1mf0A1 MET 239 HE3 0.06 -0.03 -0.12 -0.04 2.10 1.98 1mf0A1 TYR 240 H 0.08 0.51 -0.22 -0.55 8.29 8.12 1mf0A1 TYR 240 HA 0.03 0.04 0.48 -0.75 4.56 4.36 1mf0A1 TYR 240 HB2 0.00 0.06 0.14 -0.04 3.06 3.22 1mf0A1 TYR 240 HB3 -0.12 0.00 0.23 -0.04 2.98 3.05 1mf0A1 TYR 240 HD2 -0.04 -0.00 -0.05 -0.04 7.15 7.02 1mf0A1 TYR 240 HE2 -0.24 -0.01 -0.03 -0.04 6.85 6.53 1mf0A1 GLU 241 H -0.21 0.70 0.05 -0.55 8.60 8.60 1mf0A1 GLU 241 HA -0.22 -0.02 0.33 -0.75 4.29 3.63 1mf0A1 GLU 241 HB2 -0.35 0.16 0.10 -0.04 2.09 1.96 1mf0A1 GLU 241 HB3 -0.24 -0.04 -0.02 -0.04 1.99 1.65 1mf0A1 GLU 241 HG2 -0.87 0.07 0.05 -0.04 2.34 1.55 1mf0A1 GLU 241 HG3 -0.90 -0.08 -0.07 -0.04 2.34 1.24 1mf0A1 ALA 242 H -0.39 0.40 -0.34 -0.55 8.40 7.52 1mf0A1 ALA 242 HA -0.25 0.07 0.45 -0.75 4.34 3.85 1mf0A1 ALA 242 HB3 -0.45 -0.00 0.01 -0.04 1.41 0.92 1mf0A1 LEU 243 H -0.28 0.42 -0.21 -0.55 8.37 7.76 1mf0A1 LEU 243 HA -0.25 0.09 0.73 -0.75 4.35 4.17 1mf0A1 LEU 243 HB2 -0.35 0.05 0.15 -0.04 1.64 1.44 1mf0A1 LEU 243 HB3 -0.38 0.03 0.16 -0.04 1.64 1.41 1mf0A1 LEU 243 HG -0.19 0.07 0.01 -0.04 1.64 1.49 1mf0A1 LEU 243 HD13 -0.07 -0.04 -0.05 -0.04 0.93 0.73 1mf0A1 LEU 243 HD23 -0.14 0.04 -0.07 -0.04 0.89 0.69 1mf0A1 HIS 244 H -0.29 0.29 -0.15 -0.55 8.41 7.70 1mf0A1 HIS 244 HA -0.20 0.19 0.98 -0.75 4.63 4.85 1mf0A1 HIS 244 HB2 -0.63 -0.01 0.01 -0.04 3.26 2.59 1mf0A1 HIS 244 HB3 -0.27 -0.06 0.12 -0.04 3.20 2.94 1mf0A1 HIS 244 HD2 -0.13 0.12 -0.06 -0.04 6.97 6.86 1mf0A1 HIS 244 HE1 -0.06 -0.13 0.02 -0.04 7.75 7.54 1mf0A1 GLY 245 H -0.17 0.16 -0.24 -0.55 8.43 7.63 1mf0A1 GLY 245 HA2 -0.07 0.05 0.67 -0.51 4.01 4.15 1mf0A1 GLY 245 HA3 -0.10 0.07 0.39 -0.51 4.01 3.85 1mf0A1 PRO 246 HA -0.05 0.06 0.48 -0.51 4.44 4.43 1mf0A1 PRO 246 HB2 -0.04 0.06 0.02 -0.04 2.28 2.29 1mf0A1 PRO 246 HB3 -0.03 -0.05 0.11 -0.04 2.02 2.00 1mf0A1 PRO 246 HG2 -0.06 0.08 0.09 -0.04 2.03 2.10 1mf0A1 PRO 246 HG3 -0.04 -0.03 0.08 -0.04 2.03 2.00 1mf0A1 PRO 246 HD2 -0.07 0.10 0.20 -0.04 3.68 3.87 1mf0A1 PRO 246 HD3 -0.05 0.05 0.16 -0.04 3.65 3.77 1mf0A1 PRO 247 HA -0.08 0.03 0.35 -0.51 4.44 4.23 1mf0A1 PRO 247 HB2 -0.04 -0.01 -0.03 -0.04 2.28 2.15 1mf0A1 PRO 247 HB3 -0.05 0.02 0.11 -0.04 2.02 2.06 1mf0A1 PRO 247 HG2 -0.03 0.00 0.03 -0.04 2.03 1.99 1mf0A1 PRO 247 HG3 -0.03 -0.01 0.06 -0.04 2.03 2.01 1mf0A1 PRO 247 HD2 -0.04 0.00 0.21 -0.04 3.68 3.81 1mf0A1 PRO 247 HD3 -0.04 0.16 0.19 -0.04 3.65 3.92 1mf0A1 LYS 248 H -0.08 0.20 0.22 -0.55 8.42 8.20 1mf0A1 LYS 248 HA -0.05 0.12 0.76 -0.75 4.32 4.39 1mf0A1 LYS 248 HB2 -0.11 0.18 0.02 -0.04 1.87 1.91 1mf0A1 LYS 248 HB3 -0.08 -0.13 -0.08 -0.04 1.79 1.46 1mf0A1 LYS 248 HG2 -0.06 -0.03 0.09 -0.04 1.46 1.42 1mf0A1 LYS 248 HG3 -0.09 0.33 -0.22 -0.04 1.46 1.45 1mf0A1 LYS 248 HD2 -0.15 0.01 -0.01 -0.04 1.69 1.50 1mf0A1 LYS 248 HD3 -0.09 -0.10 -0.05 -0.04 1.68 1.40 1mf0A1 LYS 248 HE2 -0.05 -0.01 0.00 -0.04 2.99 2.89 1mf0A1 LYS 248 HE3 -0.08 0.04 -0.01 -0.04 2.99 2.89 1mf0A1 LYS 249 H -0.03 0.19 0.12 -0.55 8.42 8.15 1mf0A1 LYS 249 HA -0.02 0.21 0.84 -0.75 4.32 4.59 1mf0A1 LYS 249 HB2 -0.01 0.01 0.17 -0.04 1.87 2.00 1mf0A1 LYS 249 HB3 0.00 -0.02 0.04 -0.04 1.79 1.77 1mf0A1 LYS 249 HG2 0.00 0.02 -0.02 -0.04 1.46 1.43 1mf0A1 LYS 249 HG3 -0.01 0.01 -0.13 -0.04 1.46 1.29 1mf0A1 LYS 249 HD2 0.00 0.08 -0.10 -0.04 1.69 1.63 1mf0A1 LYS 249 HD3 0.01 -0.04 -0.15 -0.04 1.68 1.45 1mf0A1 LYS 249 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.91 1mf0A1 LYS 249 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.90 1mf0A1 VAL 250 H -0.03 0.36 0.11 -0.55 8.24 8.13 1mf0A1 VAL 250 HA -0.01 0.19 1.09 -0.75 4.13 4.65 1mf0A1 VAL 250 HB -0.04 0.04 -0.00 -0.04 2.12 2.08 1mf0A1 VAL 250 HG13 0.01 -0.02 -0.25 -0.04 0.97 0.66 1mf0A1 VAL 250 HG23 -0.09 0.01 -0.24 -0.04 0.95 0.59 1mf0A1 LEU 251 H 0.02 0.88 0.41 -0.55 8.37 9.14 1mf0A1 LEU 251 HA 0.02 0.25 1.11 -0.75 4.35 4.98 1mf0A1 LEU 251 HB2 0.01 0.10 0.06 -0.04 1.64 1.77 1mf0A1 LEU 251 HB3 0.02 -0.16 0.03 -0.04 1.64 1.48 1mf0A1 LEU 251 HG 0.03 0.03 -0.12 -0.04 1.64 1.54 1mf0A1 LEU 251 HD13 -0.01 -0.03 -0.25 -0.04 0.93 0.59 1mf0A1 LEU 251 HD23 0.03 0.04 -0.13 -0.04 0.89 0.79 1mf0A1 VAL 252 H 0.03 0.81 0.36 -0.55 8.24 8.89 1mf0A1 VAL 252 HA 0.06 0.17 1.01 -0.75 4.13 4.61 1mf0A1 VAL 252 HB 0.03 -0.05 0.10 -0.04 2.12 2.16 1mf0A1 VAL 252 HG13 0.05 -0.02 -0.26 -0.04 0.97 0.70 1mf0A1 VAL 252 HG23 0.05 0.03 -0.24 -0.04 0.95 0.75 1mf0A1 GLU 253 H 0.05 0.98 0.38 -0.55 8.60 9.46 1mf0A1 GLU 253 HA 0.03 0.06 0.80 -0.75 4.29 4.42 1mf0A1 GLU 253 HB2 0.03 -0.05 0.01 -0.04 2.09 2.04 1mf0A1 GLU 253 HB3 0.05 0.14 0.13 -0.04 1.99 2.27 1mf0A1 GLU 253 HG2 0.18 0.00 -0.22 -0.04 2.34 2.25 1mf0A1 GLU 253 HG3 0.10 0.02 -0.12 -0.04 2.34 2.31 1mf0A1 GLY 254 H 0.04 0.58 0.35 -0.55 8.43 8.86 1mf0A1 GLY 254 HA2 0.07 -0.01 0.58 -0.51 4.01 4.14 1mf0A1 GLY 254 HA3 0.06 0.07 0.41 -0.51 4.01 4.05 1mf0A1 ALA 255 H 0.09 0.14 0.17 -0.55 8.40 8.26 1mf0A1 ALA 255 HA 0.32 0.15 0.87 -0.75 4.34 4.92 1mf0A1 ALA 255 HB3 0.08 0.00 0.03 -0.04 1.41 1.48 1mf0A1 ASN 256 H 0.19 0.08 0.14 -0.55 8.53 8.39 1mf0A1 ASN 256 HA 0.12 0.02 0.31 -0.75 4.76 4.46 1mf0A1 ASN 256 HB2 0.09 0.19 -0.05 -0.04 2.88 3.07 1mf0A1 ASN 256 HB3 0.11 0.01 0.12 -0.04 2.79 2.99 1mf0A1 ASN 256 HD21 0.08 -0.02 -0.09 -0.04 7.03 6.96 1mf0A1 ASN 256 HD22 0.11 0.02 0.05 -0.04 7.74 7.89 1mf0A1 ALA 257 H 0.10 0.23 0.16 -0.55 8.40 8.35 1mf0A1 ALA 257 HA 0.07 0.16 0.46 -0.75 4.34 4.27 1mf0A1 ALA 257 HB3 0.05 0.04 -0.30 -0.04 1.41 1.16 1mf0A1 ALA 258 H 0.04 0.56 0.02 -0.55 8.40 8.46 1mf0A1 ALA 258 HA 0.06 -0.06 0.33 -0.75 4.34 3.92 1mf0A1 ALA 258 HB3 0.01 0.08 0.11 -0.04 1.41 1.57 1mf0A1 LEU 259 H -0.18 0.53 -0.05 -0.55 8.37 8.12 1mf0A1 LEU 259 HA 0.04 0.19 0.53 -0.75 4.35 4.36 1mf0A1 LEU 259 HB2 -1.06 0.12 -0.00 -0.04 1.64 0.66 1mf0A1 LEU 259 HB3 -0.54 0.00 0.15 -0.04 1.64 1.21 1mf0A1 LEU 259 HG -0.20 0.11 -0.01 -0.04 1.64 1.49 1mf0A1 LEU 259 HD13 -0.25 -0.03 -0.09 -0.04 0.93 0.52 1mf0A1 LEU 259 HD23 -0.71 -0.01 -0.00 -0.04 0.89 0.12 1mf0A1 LEU 260 H 0.12 0.33 -0.72 -0.55 8.37 7.55 1mf0A1 LEU 260 HA 0.29 0.28 0.84 -0.75 4.35 5.01 1mf0A1 LEU 260 HB2 0.16 -0.05 0.05 -0.04 1.64 1.76 1mf0A1 LEU 260 HB3 0.16 -0.16 0.14 -0.04 1.64 1.74 1mf0A1 LEU 260 HG 0.51 0.00 -0.21 -0.04 1.64 1.90 1mf0A1 LEU 260 HD13 0.19 -0.01 -0.20 -0.04 0.93 0.87 1mf0A1 LEU 260 HD23 0.26 0.06 0.01 -0.04 0.89 1.18 1mf0A1 ASP 261 H 0.14 0.45 0.00 -0.55 8.40 8.45 1mf0A1 ASP 261 HA 0.07 -0.00 0.62 -0.75 4.63 4.56 1mf0A1 ASP 261 HB2 0.15 0.06 0.24 -0.04 2.71 3.12 1mf0A1 ASP 261 HB3 0.22 0.10 0.24 -0.04 2.70 3.22 1mf0A1 ILE 262 H -0.01 0.36 0.18 -0.55 8.25 8.24 1mf0A1 ILE 262 HA 0.08 0.17 0.24 -0.75 4.18 3.92 1mf0A1 ILE 262 HB -0.07 -0.03 -0.05 -0.04 1.89 1.70 1mf0A1 ILE 262 HG12 -0.05 0.01 -0.11 -0.04 1.49 1.29 1mf0A1 ILE 262 HG13 -0.04 0.03 -0.19 -0.04 1.21 0.98 1mf0A1 ILE 262 HG23 -0.12 -0.01 -0.28 -0.04 0.93 0.47 1mf0A1 ILE 262 HD13 0.14 -0.01 -0.03 -0.04 0.88 0.94 1mf0A1 ASP 263 H -0.16 -0.16 -0.35 -0.55 8.40 7.18 1mf0A1 ASP 263 HA -0.29 0.24 0.75 -0.75 4.63 4.57 1mf0A1 ASP 263 HB2 -0.78 -0.17 0.07 -0.04 2.71 1.78 1mf0A1 ASP 263 HB3 -1.33 0.09 -0.07 -0.04 2.70 1.35 1mf0A1 PHE 264 H -0.13 -0.17 -0.02 -0.55 8.34 7.46 1mf0A1 PHE 264 HA 0.18 0.29 0.80 -0.75 4.62 5.14 1mf0A1 PHE 264 HB2 0.07 -0.06 0.05 -0.04 3.15 3.17 1mf0A1 PHE 264 HB3 0.19 0.07 0.08 -0.04 3.06 3.36 1mf0A1 PHE 264 HD2 0.02 -0.01 -0.01 -0.04 7.28 7.24 1mf0A1 PHE 264 HE2 -0.04 -0.01 -0.03 -0.04 7.38 7.25 1mf0A1 PHE 264 HZ -0.05 0.04 -0.03 -0.04 7.32 7.24 1mf0A1 GLY 265 H 0.19 0.42 -0.11 -0.55 8.43 8.39 1mf0A1 GLY 265 HA2 0.23 -0.02 0.38 -0.51 4.01 4.08 1mf0A1 GLY 265 HA3 0.23 -0.04 -0.16 -0.51 4.01 3.53 1mf0A1 THR 266 H 0.42 0.46 0.11 -0.55 8.28 8.72 1mf0A1 THR 266 HA 0.32 0.15 0.49 -0.75 4.39 4.60 1mf0A1 THR 266 HB 0.35 -0.11 0.16 -0.04 4.32 4.68 1mf0A1 THR 266 HG23 0.65 0.01 0.06 -0.04 1.22 1.89 1mf0A1 TYR 267 H 0.31 0.65 -0.19 -0.55 8.29 8.51 1mf0A1 TYR 267 HA 0.05 -0.08 0.10 -0.75 4.56 3.88 1mf0A1 TYR 267 HB2 0.04 0.17 -0.03 -0.04 3.06 3.19 1mf0A1 TYR 267 HB3 0.04 0.01 0.05 -0.04 2.98 3.04 1mf0A1 TYR 267 HD2 -0.01 0.04 -0.10 -0.04 7.15 7.03 1mf0A1 TYR 267 HE2 -0.04 -0.04 -0.02 -0.04 6.85 6.71 1mf0A1 PRO 268 HA -1.19 0.06 0.28 -0.51 4.44 3.08 1mf0A1 PRO 268 HB2 -0.66 -0.02 0.09 -0.04 2.28 1.65 1mf0A1 PRO 268 HB3 -1.05 0.04 0.08 -0.04 2.02 1.04 1mf0A1 PRO 268 HG2 -1.21 0.04 -0.13 -0.04 2.03 0.69 1mf0A1 PRO 268 HG3 -0.52 0.03 0.02 -0.04 2.03 1.52 1mf0A1 PRO 268 HD2 -0.21 0.10 0.42 -0.04 3.68 3.94 1mf0A1 PRO 268 HD3 -0.22 0.07 0.05 -0.04 3.65 3.50 1mf0A1 PHE 269 H -0.04 0.48 -0.08 -0.55 8.34 8.14 1mf0A1 PHE 269 HA -0.05 0.03 0.66 -0.75 4.62 4.51 1mf0A1 PHE 269 HB2 0.02 0.11 0.23 -0.04 3.15 3.47 1mf0A1 PHE 269 HB3 -0.04 0.25 0.20 -0.04 3.06 3.43 1mf0A1 PHE 269 HD2 -0.02 0.06 -0.04 -0.04 7.28 7.24 1mf0A1 PHE 269 HE2 -0.02 0.12 -0.16 -0.04 7.38 7.27 1mf0A1 PHE 269 HZ -0.02 0.01 -0.14 -0.04 7.32 7.12 1mf0A1 VAL 270 H -0.02 0.54 -0.22 -0.55 8.24 7.99 1mf0A1 VAL 270 HA 0.17 0.07 0.64 -0.75 4.13 4.26 1mf0A1 VAL 270 HB 0.14 0.22 -0.30 -0.04 2.12 2.14 1mf0A1 VAL 270 HG13 0.24 0.06 -0.71 -0.04 0.97 0.52 1mf0A1 VAL 270 HG23 0.10 -0.01 -0.44 -0.04 0.95 0.56 1mf0A1 THR 271 H 0.10 0.55 0.25 -0.55 8.28 8.63 1mf0A1 THR 271 HA 0.05 0.08 0.72 -0.75 4.39 4.49 1mf0A1 THR 271 HB 0.08 0.01 0.06 -0.04 4.32 4.43 1mf0A1 THR 271 HG23 0.06 0.03 -0.02 -0.04 1.22 1.25 1mf0A1 SER 272 H 0.05 -0.00 0.07 -0.55 8.46 8.03 1mf0A1 SER 272 HA -0.05 0.31 0.68 -0.75 4.49 4.68 1mf0A1 SER 272 HB2 0.22 -0.07 0.01 -0.04 3.95 4.07 1mf0A1 SER 272 HB3 0.01 0.09 0.20 -0.04 3.93 4.19 1mf0A1 SER 273 H -0.12 0.19 -0.32 -0.55 8.46 7.66 1mf0A1 SER 273 HA -0.49 0.31 0.85 -0.75 4.49 4.40 1mf0A1 SER 273 HB2 -0.22 0.10 0.04 -0.04 3.95 3.83 1mf0A1 SER 273 HB3 -0.63 0.03 -0.14 -0.04 3.93 3.16 1mf0A1 ASN 274 H -0.13 0.29 0.09 -0.55 8.53 8.25 1mf0A1 ASN 274 HA -0.00 -0.04 0.83 -0.75 4.76 4.79 1mf0A1 ASN 274 HB2 -0.02 0.09 0.18 -0.04 2.88 3.09 1mf0A1 ASN 274 HB3 0.04 -0.05 0.05 -0.04 2.79 2.79 1mf0A1 ASN 274 HD21 -0.15 0.12 -0.04 -0.04 7.03 6.92 1mf0A1 ASN 274 HD22 -0.01 -0.12 0.05 -0.04 7.74 7.62 1mf0A1 CYS 275 H 0.05 0.20 0.14 -0.55 8.50 8.34 1mf0A1 CYS 275 HA 0.05 0.09 0.42 -0.75 4.58 4.38 1mf0A1 CYS 275 HB2 0.07 -0.03 -0.26 -0.04 2.97 2.71 1mf0A1 CYS 275 HB3 0.07 0.34 0.06 -0.04 2.97 3.40 1mf0A1 THR 276 H 0.08 -0.11 -0.32 -0.55 8.28 7.39 1mf0A1 THR 276 HA 0.03 0.19 0.49 -0.75 4.39 4.35 1mf0A1 THR 276 HB -0.06 0.06 0.06 -0.04 4.32 4.34 1mf0A1 THR 276 HG23 0.03 0.03 0.04 -0.04 1.22 1.27 1mf0A1 VAL 277 H -0.07 0.25 0.07 -0.55 8.24 7.94 1mf0A1 VAL 277 HA 0.00 0.07 0.24 -0.75 4.13 3.69 1mf0A1 VAL 277 HB -0.09 0.04 0.15 -0.04 2.12 2.18 1mf0A1 VAL 277 HG13 -0.10 0.04 -0.07 -0.04 0.97 0.79 1mf0A1 VAL 277 HG23 -0.03 0.03 0.00 -0.04 0.95 0.91 1mf0A1 GLY 278 H -0.00 0.09 -0.28 -0.55 8.43 7.69 1mf0A1 GLY 278 HA2 0.00 0.15 0.41 -0.51 4.01 4.06 1mf0A1 GLY 278 HA3 0.03 0.06 0.26 -0.51 4.01 3.84 1mf0A1 GLY 279 H 0.03 0.39 -0.42 -0.55 8.43 7.89 1mf0A1 GLY 279 HA2 0.02 -0.05 0.35 -0.51 4.01 3.81 1mf0A1 GLY 279 HA3 0.02 0.34 0.28 -0.51 4.01 4.14 1mf0A1 VAL 280 H 0.02 0.50 -0.56 -0.55 8.24 7.65 1mf0A1 VAL 280 HA 0.04 -0.00 0.39 -0.75 4.13 3.80 1mf0A1 VAL 280 HB 0.02 0.16 0.03 -0.04 2.12 2.29 1mf0A1 VAL 280 HG13 0.03 -0.00 -0.19 -0.04 0.97 0.77 1mf0A1 VAL 280 HG23 0.03 -0.02 -0.08 -0.04 0.95 0.83 1mf0A1 CYS 281 H 0.02 0.29 -0.06 -0.55 8.50 8.20 1mf0A1 CYS 281 HA 0.04 0.12 0.51 -0.75 4.58 4.50 1mf0A1 CYS 281 HB2 0.02 0.02 0.12 -0.04 2.97 3.08 1mf0A1 CYS 281 HB3 0.03 0.00 0.02 -0.04 2.97 2.98 1mf0A1 THR 282 H 0.03 0.42 -0.16 -0.55 8.28 8.02 1mf0A1 THR 282 HA 0.03 0.09 0.42 -0.75 4.39 4.18 1mf0A1 THR 282 HB 0.02 -0.04 0.12 -0.04 4.32 4.37 1mf0A1 THR 282 HG23 0.01 -0.01 -0.13 -0.04 1.22 1.05 1mf0A1 GLY 283 H 0.04 0.64 -0.12 -0.55 8.43 8.44 1mf0A1 GLY 283 HA2 0.05 -0.02 0.53 -0.51 4.01 4.06 1mf0A1 GLY 283 HA3 0.04 0.24 0.46 -0.51 4.01 4.24 1mf0A1 LEU 284 H 0.07 0.28 -0.29 -0.55 8.37 7.89 1mf0A1 LEU 284 HA 0.17 0.01 0.96 -0.75 4.35 4.73 1mf0A1 LEU 284 HB2 0.11 0.16 -0.01 -0.04 1.64 1.85 1mf0A1 LEU 284 HB3 0.20 0.01 -0.02 -0.04 1.64 1.80 1mf0A1 LEU 284 HG 0.09 -0.07 -0.25 -0.04 1.64 1.37 1mf0A1 LEU 284 HD13 0.12 0.00 -0.19 -0.04 0.93 0.83 1mf0A1 LEU 284 HD23 0.20 0.04 -0.08 -0.04 0.89 1.01 1mf0A1 GLY 285 H 0.08 0.26 -0.12 -0.55 8.43 8.11 1mf0A1 GLY 285 HA2 0.07 0.11 0.32 -0.51 4.01 4.01 1mf0A1 GLY 285 HA3 0.10 -0.04 0.50 -0.51 4.01 4.06 1mf0A1 ILE 286 H 0.07 0.10 0.01 -0.55 8.25 7.88 1mf0A1 ILE 286 HA 0.09 0.27 0.96 -0.75 4.18 4.75 1mf0A1 ILE 286 HB 0.04 0.11 -0.06 -0.04 1.89 1.93 1mf0A1 ILE 286 HG12 0.06 -0.10 -0.13 -0.04 1.49 1.29 1mf0A1 ILE 286 HG13 0.03 0.01 -0.29 -0.04 1.21 0.92 1mf0A1 ILE 286 HG23 0.07 0.00 -0.31 -0.04 0.93 0.65 1mf0A1 ILE 286 HD13 0.02 0.01 -0.20 -0.04 0.88 0.67 1mf0A1 PRO 287 HA 0.03 0.11 0.47 -0.51 4.44 4.54 1mf0A1 PRO 287 HB2 0.04 -0.07 0.05 -0.04 2.28 2.26 1mf0A1 PRO 287 HB3 0.05 0.04 0.08 -0.04 2.02 2.16 1mf0A1 PRO 287 HG2 0.07 -0.02 0.01 -0.04 2.03 2.04 1mf0A1 PRO 287 HG3 0.12 0.11 0.05 -0.04 2.03 2.27 1mf0A1 PRO 287 HD2 0.10 0.16 0.19 -0.04 3.68 4.09 1mf0A1 PRO 287 HD3 0.11 0.18 0.14 -0.04 3.65 4.05 1mf0A1 PRO 288 HA -0.01 0.11 0.42 -0.51 4.44 4.45 1mf0A1 PRO 288 HB2 -0.02 0.09 0.01 -0.04 2.28 2.32 1mf0A1 PRO 288 HB3 -0.01 0.01 0.12 -0.04 2.02 2.09 1mf0A1 PRO 288 HG2 0.00 0.00 0.10 -0.04 2.03 2.09 1mf0A1 PRO 288 HG3 -0.00 0.05 0.08 -0.04 2.03 2.11 1mf0A1 PRO 288 HD2 0.02 0.09 0.22 -0.04 3.68 3.97 1mf0A1 PRO 288 HD3 0.01 0.13 0.18 -0.04 3.65 3.93 1mf0A1 GLN 289 H 0.01 0.08 -0.19 -0.55 8.47 7.82 1mf0A1 GLN 289 HA -0.02 0.14 0.44 -0.75 4.36 4.18 1mf0A1 GLN 289 HB2 -0.01 0.04 0.05 -0.04 2.15 2.19 1mf0A1 GLN 289 HB3 -0.00 -0.04 0.07 -0.04 2.02 2.00 1mf0A1 GLN 289 HG2 0.02 0.05 -0.17 -0.04 2.40 2.26 1mf0A1 GLN 289 HG3 0.03 0.04 -0.07 -0.04 2.39 2.34 1mf0A1 GLN 289 HE21 0.03 -0.03 0.00 -0.04 6.97 6.92 1mf0A1 GLN 289 HE22 0.04 0.05 -0.01 -0.04 7.69 7.72 1mf0A1 ASN 290 H -0.00 0.28 -0.57 -0.55 8.53 7.69 1mf0A1 ASN 290 HA -0.06 0.20 0.51 -0.75 4.76 4.65 1mf0A1 ASN 290 HB2 -0.01 0.09 -0.03 -0.04 2.88 2.90 1mf0A1 ASN 290 HB3 -0.06 -0.04 0.08 -0.04 2.79 2.73 1mf0A1 ASN 290 HD21 -0.46 0.15 -0.06 -0.04 7.03 6.62 1mf0A1 ASN 290 HD22 -0.21 0.10 0.02 -0.04 7.74 7.61 1mf0A1 ILE 291 H -0.02 0.45 -0.51 -0.55 8.25 7.61 1mf0A1 ILE 291 HA -0.03 0.03 0.85 -0.75 4.18 4.28 1mf0A1 ILE 291 HB -0.03 0.18 0.15 -0.04 1.89 2.16 1mf0A1 ILE 291 HG12 -0.01 -0.04 -0.15 -0.04 1.49 1.25 1mf0A1 ILE 291 HG13 -0.01 0.06 -0.27 -0.04 1.21 0.96 1mf0A1 ILE 291 HG23 -0.03 0.00 -0.21 -0.04 0.93 0.65 1mf0A1 ILE 291 HD13 -0.01 -0.05 -0.10 -0.04 0.88 0.68 1mf0A1 GLY 292 H -0.05 0.73 0.16 -0.55 8.43 8.72 1mf0A1 GLY 292 HA2 -0.04 0.20 0.83 -0.51 4.01 4.49 1mf0A1 GLY 292 HA3 -0.05 -0.08 0.31 -0.51 4.01 3.68 1mf0A1 ASP 293 H -0.09 0.10 0.12 -0.55 8.40 7.98 1mf0A1 ASP 293 HA -0.16 0.05 0.44 -0.75 4.63 4.22 1mf0A1 ASP 293 HB2 -0.29 -0.03 0.16 -0.04 2.71 2.51 1mf0A1 ASP 293 HB3 -1.03 -0.04 -0.07 -0.04 2.70 1.52 1mf0A1 VAL 294 H -0.13 0.17 0.26 -0.55 8.24 7.99 1mf0A1 VAL 294 HA -0.07 0.12 0.92 -0.75 4.13 4.35 1mf0A1 VAL 294 HB 0.03 0.14 0.21 -0.04 2.12 2.46 1mf0A1 VAL 294 HG13 0.15 -0.02 -0.24 -0.04 0.97 0.82 1mf0A1 VAL 294 HG23 -0.04 0.09 -0.11 -0.04 0.95 0.85 1mf0A1 TYR 295 H 0.03 0.89 0.28 -0.55 8.29 8.94 1mf0A1 TYR 295 HA 0.11 0.27 1.03 -0.75 4.56 5.22 1mf0A1 TYR 295 HB2 0.06 0.01 0.18 -0.04 3.06 3.26 1mf0A1 TYR 295 HB3 0.13 -0.05 -0.14 -0.04 2.98 2.88 1mf0A1 TYR 295 HD2 0.13 0.03 -0.14 -0.04 7.15 7.13 1mf0A1 TYR 295 HE2 0.17 0.04 -0.14 -0.04 6.85 6.88 1mf0A1 GLY 296 H -0.13 0.57 0.34 -0.55 8.43 8.67 1mf0A1 GLY 296 HA2 -0.41 0.12 0.74 -0.51 4.01 3.95 1mf0A1 GLY 296 HA3 -1.69 0.04 0.29 -0.51 4.01 2.14 1mf0A1 VAL 297 H -0.13 0.74 0.35 -0.55 8.24 8.65 1mf0A1 VAL 297 HA -0.09 0.16 0.72 -0.75 4.13 4.16 1mf0A1 VAL 297 HB -0.08 -0.19 0.09 -0.04 2.12 1.91 1mf0A1 VAL 297 HG13 -0.09 -0.03 -0.42 -0.04 0.97 0.38 1mf0A1 VAL 297 HG23 -0.08 0.04 -0.07 -0.04 0.95 0.80 1mf0A1 VAL 298 H -0.07 0.99 0.44 -0.55 8.24 9.05 1mf0A1 VAL 298 HA -0.06 -0.03 1.06 -0.75 4.13 4.34 1mf0A1 VAL 298 HB -0.06 -0.05 -0.02 -0.04 2.12 1.96 1mf0A1 VAL 298 HG13 -0.13 0.01 -0.20 -0.04 0.97 0.61 1mf0A1 VAL 298 HG23 0.02 0.06 -0.19 -0.04 0.95 0.80 1mf0A1 LYS 299 H -0.05 0.02 0.18 -0.55 8.42 8.01 1mf0A1 LYS 299 HA -0.07 0.13 0.60 -0.75 4.32 4.22 1mf0A1 LYS 299 HB2 -0.15 -0.10 0.19 -0.04 1.87 1.78 1mf0A1 LYS 299 HB3 -0.17 0.25 0.24 -0.04 1.79 2.07 1mf0A1 LYS 299 HG2 -0.83 -0.17 0.03 -0.04 1.46 0.45 1mf0A1 LYS 299 HG3 -0.34 -0.00 0.04 -0.04 1.46 1.12 1mf0A1 LYS 299 HD2 -0.53 0.02 -0.13 -0.04 1.69 1.01 1mf0A1 LYS 299 HD3 -0.95 -0.00 -0.10 -0.04 1.68 0.59 1mf0A1 LYS 299 HE2 -0.17 -0.02 0.02 -0.04 2.99 2.78 1mf0A1 LYS 299 HE3 -0.14 -0.16 0.04 -0.04 2.99 2.69 1mf0A1 ALA 300 H 0.03 0.57 0.27 -0.55 8.40 8.72 1mf0A1 ALA 300 HA 0.29 0.04 0.38 -0.75 4.34 4.30 1mf0A1 ALA 300 HB3 0.33 0.01 -0.03 -0.04 1.41 1.68 1mf0A1 TYR 301 H -0.14 0.18 -0.55 -0.55 8.29 7.23 1mf0A1 TYR 301 HA 0.28 0.00 0.33 -0.75 4.56 4.42 1mf0A1 TYR 301 HB2 0.14 0.22 0.11 -0.04 3.06 3.49 1mf0A1 TYR 301 HB3 0.18 0.03 -0.06 -0.04 2.98 3.09 1mf0A1 TYR 301 HD2 0.10 0.08 -0.24 -0.04 7.15 7.04 1mf0A1 TYR 301 HE2 0.03 0.03 -0.10 -0.04 6.85 6.76 1mf0A1 THR 302 H 0.44 0.67 0.02 -0.55 8.28 8.86 1mf0A1 THR 302 HA 0.14 0.12 0.95 -0.75 4.39 4.84 1mf0A1 THR 302 HB 0.63 0.02 -0.11 -0.04 4.32 4.82 1mf0A1 THR 302 HG23 0.21 -0.02 -0.14 -0.04 1.22 1.23 1mf0A1 THR 303 H 0.14 0.15 0.18 -0.55 8.28 8.20 1mf0A1 THR 303 HA 0.27 0.36 0.83 -0.75 4.39 5.10 1mf0A1 THR 303 HB 0.11 0.05 -0.07 -0.04 4.32 4.37 1mf0A1 THR 303 HG23 0.20 -0.01 -0.24 -0.04 1.22 1.13 1mf0A1 ARG 304 H 0.05 0.65 0.20 -0.55 8.46 8.81 1mf0A1 ARG 304 HA -0.09 0.09 0.74 -0.75 4.34 4.33 1mf0A1 ARG 304 HB2 -1.01 -0.09 -0.23 -0.04 1.90 0.52 1mf0A1 ARG 304 HB3 -0.40 0.07 -0.05 -0.04 1.80 1.38 1mf0A1 ARG 304 HG2 -0.58 -0.11 -0.06 -0.04 1.67 0.88 1mf0A1 ARG 304 HG3 -1.80 -0.08 -0.02 -0.04 1.67 -0.27 1mf0A1 ARG 304 HD2 -1.10 -0.06 -0.23 -0.04 3.22 1.78 1mf0A1 ARG 304 HD3 -0.56 0.20 -0.33 -0.04 3.22 2.48 1mf0A1 VAL 305 H -0.04 0.07 0.13 -0.55 8.24 7.86 1mf0A1 VAL 305 HA 0.02 0.16 0.99 -0.75 4.13 4.53 1mf0A1 VAL 305 HB 0.05 0.01 -0.02 -0.04 2.12 2.11 1mf0A1 VAL 305 HG13 0.04 -0.02 0.06 -0.04 0.97 1.01 1mf0A1 VAL 305 HG23 0.03 0.01 -0.14 -0.04 0.95 0.82 1mf0A1 GLY 306 H -0.06 -0.08 0.07 -0.55 8.43 7.81 1mf0A1 GLY 306 HA2 -0.02 0.11 0.56 -0.51 4.01 4.15 1mf0A1 GLY 306 HA3 -0.02 0.04 0.40 -0.51 4.01 3.93 1mf0A1 ILE 307 H -0.00 0.33 0.19 -0.55 8.25 8.22 1mf0A1 ILE 307 HA -0.18 0.10 0.51 -0.75 4.18 3.86 1mf0A1 ILE 307 HB 0.04 0.07 0.10 -0.04 1.89 2.06 1mf0A1 ILE 307 HG12 0.01 -0.11 -0.19 -0.04 1.49 1.15 1mf0A1 ILE 307 HG13 0.02 -0.03 -0.07 -0.04 1.21 1.08 1mf0A1 ILE 307 HG23 -0.47 0.00 0.03 -0.04 0.93 0.45 1mf0A1 ILE 307 HD13 -0.06 0.02 -0.07 -0.04 0.88 0.73 1mf0A1 GLY 308 H -0.48 0.08 0.10 -0.55 8.43 7.58 1mf0A1 GLY 308 HA2 -0.96 -0.06 0.31 -0.51 4.01 2.80 1mf0A1 GLY 308 HA3 -0.46 0.28 0.90 -0.51 4.01 4.22 1mf0A1 ALA 309 H -0.10 0.08 0.09 -0.55 8.40 7.92 1mf0A1 ALA 309 HA -0.03 0.03 0.32 -0.75 4.34 3.90 1mf0A1 ALA 309 HB3 0.07 0.02 -0.04 -0.04 1.41 1.42 1mf0A1 PHE 310 H 0.13 0.17 -0.03 -0.55 8.34 8.05 1mf0A1 PHE 310 HA 0.16 0.10 0.59 -0.75 4.62 4.71 1mf0A1 PHE 310 HB2 -0.29 0.22 -0.26 -0.04 3.15 2.78 1mf0A1 PHE 310 HB3 -0.07 0.01 0.10 -0.04 3.06 3.06 1mf0A1 PHE 310 HD2 0.09 0.03 -0.26 -0.04 7.28 7.09 1mf0A1 PHE 310 HE2 0.19 0.04 -0.50 -0.04 7.38 7.07 1mf0A1 PHE 310 HZ 0.19 0.17 -0.50 -0.04 7.32 7.14 1mf0A1 PRO 311 HA 0.07 0.18 0.38 -0.51 4.44 4.57 1mf0A1 PRO 311 HB2 0.37 -0.11 0.02 -0.04 2.28 2.52 1mf0A1 PRO 311 HB3 -0.11 0.04 -0.00 -0.04 2.02 1.90 1mf0A1 PRO 311 HG2 0.13 -0.02 -0.01 -0.04 2.03 2.09 1mf0A1 PRO 311 HG3 -0.13 0.27 0.05 -0.04 2.03 2.17 1mf0A1 PRO 311 HD2 0.67 0.07 0.01 -0.04 3.68 4.39 1mf0A1 PRO 311 HD3 0.35 0.14 -0.26 -0.04 3.65 3.84 1mf0A1 THR 312 H 0.55 0.04 -0.24 -0.55 8.28 8.08 1mf0A1 THR 312 HA 0.38 0.21 0.69 -0.75 4.39 4.92 1mf0A1 THR 312 HB 0.57 -0.16 0.04 -0.04 4.32 4.72 1mf0A1 THR 312 HG23 0.49 0.01 -0.13 -0.04 1.22 1.55 1mf0A1 GLU 313 H -0.45 0.43 -0.29 -0.55 8.60 7.74 1mf0A1 GLU 313 HA -1.15 -0.01 0.19 -0.75 4.29 2.57 1mf0A1 GLU 313 HB2 -1.54 -0.02 0.05 -0.04 2.09 0.55 1mf0A1 GLU 313 HB3 -0.39 0.06 0.07 -0.04 1.99 1.68 1mf0A1 GLU 313 HG2 -0.27 -0.09 -0.27 -0.04 2.34 1.67 1mf0A1 GLU 313 HG3 -0.47 0.06 -0.04 -0.04 2.34 1.84 1mf0A1 GLN 314 H -0.33 0.77 0.53 -0.55 8.47 8.90 1mf0A1 GLN 314 HA -0.14 0.21 1.04 -0.75 4.36 4.71 1mf0A1 GLN 314 HB2 -0.36 0.02 0.22 -0.04 2.15 1.98 1mf0A1 GLN 314 HB3 -0.28 -0.24 0.08 -0.04 2.02 1.55 1mf0A1 GLN 314 HG2 -0.41 0.08 0.09 -0.04 2.40 2.11 1mf0A1 GLN 314 HG3 -1.04 -0.09 0.03 -0.04 2.39 1.25 1mf0A1 GLN 314 HE21 0.22 -0.03 0.01 -0.04 6.97 7.12 1mf0A1 GLN 314 HE22 0.20 0.39 -0.06 -0.04 7.69 8.18 1mf0A1 ILE 315 H -0.09 0.30 0.03 -0.55 8.25 7.94 1mf0A1 ILE 315 HA -0.08 0.15 0.78 -0.75 4.18 4.27 1mf0A1 ILE 315 HB -0.05 0.02 0.13 -0.04 1.89 1.94 1mf0A1 ILE 315 HG12 -0.06 0.05 0.12 -0.04 1.49 1.56 1mf0A1 ILE 315 HG13 -0.04 -0.04 0.26 -0.04 1.21 1.35 1mf0A1 ILE 315 HG23 -0.08 0.02 -0.05 -0.04 0.93 0.78 1mf0A1 ILE 315 HD13 -0.03 0.01 0.06 -0.04 0.88 0.88 1mf0A1 ASN 316 H -0.09 0.33 0.04 -0.55 8.53 8.26 1mf0A1 ASN 316 HA -0.05 0.19 0.42 -0.75 4.76 4.57 1mf0A1 ASN 316 HB2 -0.04 -0.21 0.23 -0.04 2.88 2.81 1mf0A1 ASN 316 HB3 -0.04 0.29 0.09 -0.04 2.79 3.10 1mf0A1 ASN 316 HD21 -0.04 0.05 -0.06 -0.04 7.03 6.93 1mf0A1 ASN 316 HD22 -0.02 0.16 -0.12 -0.04 7.74 7.72 1mf0A1 GLU 317 H -0.05 0.23 0.15 -0.55 8.60 8.39 1mf0A1 GLU 317 HA -0.06 0.13 0.42 -0.75 4.29 4.03 1mf0A1 GLU 317 HB2 -0.05 0.05 0.04 -0.04 2.09 2.09 1mf0A1 GLU 317 HB3 -0.04 0.07 0.13 -0.04 1.99 2.11 1mf0A1 GLU 317 HG2 -0.03 0.02 0.14 -0.04 2.34 2.43 1mf0A1 GLU 317 HG3 -0.04 -0.10 0.08 -0.04 2.34 2.24 1mf0A1 ILE 318 H -0.11 0.08 -0.19 -0.55 8.25 7.48 1mf0A1 ILE 318 HA -0.19 0.12 0.47 -0.75 4.18 3.82 1mf0A1 ILE 318 HB -0.26 -0.07 0.09 -0.04 1.89 1.61 1mf0A1 ILE 318 HG12 -0.06 -0.07 0.05 -0.04 1.49 1.37 1mf0A1 ILE 318 HG13 0.01 0.06 0.04 -0.04 1.21 1.29 1mf0A1 ILE 318 HG23 -0.89 0.03 -0.14 -0.04 0.93 -0.11 1mf0A1 ILE 318 HD13 -0.02 0.02 0.05 -0.04 0.88 0.88 1mf0A1 GLY 319 H -0.21 0.04 -0.13 -0.55 8.43 7.58 1mf0A1 GLY 319 HA2 -0.24 -0.01 0.35 -0.51 4.01 3.60 1mf0A1 GLY 319 HA3 -0.16 0.45 0.47 -0.51 4.01 4.26 1mf0A1 ASP 320 H -0.10 0.38 -0.37 -0.55 8.40 7.76 1mf0A1 ASP 320 HA -0.03 0.06 0.41 -0.75 4.63 4.32 1mf0A1 ASP 320 HB2 -0.06 0.07 0.16 -0.04 2.71 2.85 1mf0A1 ASP 320 HB3 -0.03 -0.02 0.01 -0.04 2.70 2.63 1mf0A1 LEU 321 H -0.11 0.55 -0.05 -0.55 8.37 8.20 1mf0A1 LEU 321 HA -0.06 -0.00 0.45 -0.75 4.35 3.98 1mf0A1 LEU 321 HB2 -0.10 0.04 0.21 -0.04 1.64 1.75 1mf0A1 LEU 321 HB3 -0.18 0.08 0.28 -0.04 1.64 1.78 1mf0A1 LEU 321 HG -0.13 0.01 -0.15 -0.04 1.64 1.32 1mf0A1 LEU 321 HD13 -0.06 -0.01 0.06 -0.04 0.93 0.87 1mf0A1 LEU 321 HD23 -0.12 -0.02 0.00 -0.04 0.89 0.71 1mf0A1 LEU 322 H -0.24 0.58 -0.03 -0.55 8.37 8.13 1mf0A1 LEU 322 HA -0.36 0.02 0.35 -0.75 4.35 3.60 1mf0A1 LEU 322 HB2 -0.28 0.10 0.08 -0.04 1.64 1.50 1mf0A1 LEU 322 HB3 -0.63 -0.00 -0.05 -0.04 1.64 0.91 1mf0A1 LEU 322 HG -0.46 0.02 -0.02 -0.04 1.64 1.13 1mf0A1 LEU 322 HD13 -0.47 -0.01 -0.18 -0.04 0.93 0.23 1mf0A1 LEU 322 HD23 -0.86 0.00 -0.08 -0.04 0.89 -0.09 1mf0A1 GLN 323 H -0.08 0.61 -0.22 -0.55 8.47 8.24 1mf0A1 GLN 323 HA 0.06 -0.02 0.36 -0.75 4.36 4.01 1mf0A1 GLN 323 HB2 0.01 0.27 0.22 -0.04 2.15 2.60 1mf0A1 GLN 323 HB3 0.05 0.04 0.13 -0.04 2.02 2.20 1mf0A1 GLN 323 HG2 0.16 -0.08 -0.05 -0.04 2.40 2.40 1mf0A1 GLN 323 HG3 0.11 0.08 0.12 -0.04 2.39 2.66 1mf0A1 GLN 323 HE21 0.04 -0.13 -0.12 -0.04 6.97 6.73 1mf0A1 GLN 323 HE22 0.08 0.70 0.06 -0.04 7.69 8.48 1mf0A1 ASN 324 H 0.02 0.62 -0.14 -0.55 8.53 8.48 1mf0A1 ASN 324 HA 0.26 0.07 0.66 -0.75 4.76 4.99 1mf0A1 ASN 324 HB2 0.04 0.04 0.18 -0.04 2.88 3.10 1mf0A1 ASN 324 HB3 0.11 -0.05 0.01 -0.04 2.79 2.82 1mf0A1 ASN 324 HD21 0.02 -0.09 -0.03 -0.04 7.03 6.89 1mf0A1 ASN 324 HD22 0.01 -0.04 -0.12 -0.04 7.74 7.55 1mf0A1 ARG 325 H -0.01 0.94 0.21 -0.55 8.46 9.05 1mf0A1 ARG 325 HA 0.03 0.03 0.48 -0.75 4.34 4.13 1mf0A1 ARG 325 HB2 -0.10 0.04 0.09 -0.04 1.90 1.89 1mf0A1 ARG 325 HB3 -0.06 -0.07 0.11 -0.04 1.80 1.74 1mf0A1 ARG 325 HG2 -0.01 -0.05 0.06 -0.04 1.67 1.62 1mf0A1 ARG 325 HG3 -0.06 0.12 0.11 -0.04 1.67 1.80 1mf0A1 ARG 325 HD2 -0.07 -0.08 0.02 -0.04 3.22 3.05 1mf0A1 ARG 325 HD3 -0.09 0.19 0.07 -0.04 3.22 3.35 1mf0A1 GLY 326 H -0.03 0.43 -0.39 -0.55 8.43 7.90 1mf0A1 GLY 326 HA2 -0.10 0.04 0.61 -0.51 4.01 4.06 1mf0A1 GLY 326 HA3 0.06 0.04 0.25 -0.51 4.01 3.85 1mf0A1 HIS 327 H 0.10 0.24 -0.50 -0.55 8.41 7.70 1mf0A1 HIS 327 HA -0.71 0.06 0.31 -0.75 4.63 3.53 1mf0A1 HIS 327 HB2 -0.54 0.09 -0.08 -0.04 3.26 2.69 1mf0A1 HIS 327 HB3 -1.59 -0.07 0.16 -0.04 3.20 1.65 1mf0A1 HIS 327 HD2 -0.11 -0.06 -0.05 -0.04 6.97 6.71 1mf0A1 HIS 327 HE1 0.06 -0.05 0.01 -0.04 7.75 7.72 1mf0A1 GLU 328 H -0.04 0.37 -0.20 -0.55 8.60 8.19 1mf0A1 GLU 328 HA -0.16 0.12 0.50 -0.75 4.29 4.00 1mf0A1 GLU 328 HB2 0.09 -0.00 0.17 -0.04 2.09 2.30 1mf0A1 GLU 328 HB3 0.07 -0.06 0.03 -0.04 1.99 1.98 1mf0A1 GLU 328 HG2 0.05 0.01 -0.30 -0.04 2.34 2.06 1mf0A1 GLU 328 HG3 0.21 -0.02 -0.15 -0.04 2.34 2.34 1mf0A1 TRP 329 H -0.52 0.54 0.17 -0.55 7.97 7.62 1mf0A1 TRP 329 HA 0.04 0.16 0.75 -0.75 4.62 4.82 1mf0A1 TRP 329 HB2 0.02 -0.02 -0.34 -0.04 3.23 2.84 1mf0A1 TRP 329 HB3 0.02 0.02 -0.32 -0.04 3.23 2.92 1mf0A1 TRP 329 HD1 0.02 0.03 -0.70 -0.04 7.22 6.52 1mf0A1 TRP 329 HE1 -0.00 -0.02 -0.12 -0.04 10.20 10.01 1mf0A1 TRP 329 HE3 0.02 0.01 -0.25 -0.04 7.59 7.33 1mf0A1 TRP 329 HZ2 -0.13 -0.02 -0.03 -0.04 7.44 7.22 1mf0A1 TRP 329 HZ3 -0.07 0.02 0.01 -0.04 7.13 7.05 1mf0A1 TRP 329 HH2 -0.51 -0.00 -0.00 -0.04 7.19 6.63 1mf0A1 GLY 330 H 0.28 0.36 -0.32 -0.55 8.43 8.19 1mf0A1 GLY 330 HA2 0.14 0.08 0.39 -0.51 4.01 4.11 1mf0A1 GLY 330 HA3 0.15 -0.25 0.41 -0.51 4.01 3.81 1mf0A1 VAL 331 H 0.12 0.17 0.22 -0.55 8.24 8.21 1mf0A1 VAL 331 HA 0.20 0.16 0.34 -0.75 4.13 4.08 1mf0A1 VAL 331 HB 0.07 0.06 0.16 -0.04 2.12 2.36 1mf0A1 VAL 331 HG13 0.13 -0.03 -0.04 -0.04 0.97 1.00 1mf0A1 VAL 331 HG23 0.08 0.01 0.09 -0.04 0.95 1.08 1mf0A1 THR 332 H 0.13 -0.04 -1.41 -0.55 8.28 6.41 1mf0A1 THR 332 HA 0.06 0.17 0.52 -0.75 4.39 4.38 1mf0A1 THR 332 HB 0.02 0.16 -0.07 -0.04 4.32 4.39 1mf0A1 THR 332 HG23 0.04 -0.12 -0.14 -0.04 1.22 0.96 1mf0A1 THR 333 H 0.06 0.02 0.05 -0.55 8.28 7.86 1mf0A1 THR 333 HA 0.01 0.21 0.59 -0.75 4.39 4.45 1mf0A1 THR 333 HB 0.02 0.05 0.09 -0.04 4.32 4.43 1mf0A1 THR 333 HG23 0.05 -0.10 0.08 -0.04 1.22 1.21 1mf0A1 GLY 334 H 0.11 0.07 -0.02 -0.55 8.43 8.04 1mf0A1 GLY 334 HA2 0.03 0.14 0.23 -0.51 4.01 3.90 1mf0A1 GLY 334 HA3 -0.06 0.17 0.47 -0.51 4.01 4.09 1mf0A1 ARG 335 H 0.07 -0.06 -0.24 -0.55 8.46 7.69 1mf0A1 ARG 335 HA 0.04 0.12 0.53 -0.75 4.34 4.29 1mf0A1 ARG 335 HB2 0.06 -0.16 0.11 -0.04 1.90 1.87 1mf0A1 ARG 335 HB3 0.05 0.19 -0.02 -0.04 1.80 1.98 1mf0A1 ARG 335 HG2 0.02 0.05 -0.06 -0.04 1.67 1.63 1mf0A1 ARG 335 HG3 0.03 -0.04 -0.01 -0.04 1.67 1.60 1mf0A1 ARG 335 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.16 1mf0A1 ARG 335 HD3 0.02 0.03 -0.01 -0.04 3.22 3.22 1mf0A1 LYS 336 H 0.08 0.14 0.23 -0.55 8.42 8.31 1mf0A1 LYS 336 HA 0.25 0.06 0.55 -0.75 4.32 4.43 1mf0A1 LYS 336 HB2 0.08 -0.07 0.11 -0.04 1.87 1.94 1mf0A1 LYS 336 HB3 0.12 0.12 0.03 -0.04 1.79 2.02 1mf0A1 LYS 336 HG2 0.25 0.03 -0.02 -0.04 1.46 1.67 1mf0A1 LYS 336 HG3 0.08 0.02 0.10 -0.04 1.46 1.61 1mf0A1 LYS 336 HD2 0.04 -0.04 0.01 -0.04 1.69 1.66 1mf0A1 LYS 336 HD3 0.09 0.01 -0.02 -0.04 1.68 1.72 1mf0A1 LYS 336 HE2 -0.02 0.00 -0.01 -0.04 2.99 2.92 1mf0A1 LYS 336 HE3 0.02 -0.04 -0.03 -0.04 2.99 2.91 1mf0A1 ARG 337 H 0.14 0.79 0.35 -0.55 8.46 9.19 1mf0A1 ARG 337 HA 0.07 0.15 0.81 -0.75 4.34 4.62 1mf0A1 ARG 337 HB2 0.10 0.02 -0.02 -0.04 1.90 1.96 1mf0A1 ARG 337 HB3 0.09 0.03 -0.13 -0.04 1.80 1.75 1mf0A1 ARG 337 HG2 0.07 -0.02 -0.13 -0.04 1.67 1.55 1mf0A1 ARG 337 HG3 0.09 -0.01 -0.29 -0.04 1.67 1.42 1mf0A1 ARG 337 HD2 0.06 -0.00 -0.25 -0.04 3.22 2.99 1mf0A1 ARG 337 HD3 0.06 -0.10 -0.16 -0.04 3.22 2.97 1mf0A1 ARG 338 H 0.08 0.46 0.32 -0.55 8.46 8.77 1mf0A1 ARG 338 HA 0.09 0.00 0.51 -0.75 4.34 4.18 1mf0A1 ARG 338 HB2 0.26 -0.03 0.16 -0.04 1.90 2.25 1mf0A1 ARG 338 HB3 0.22 -0.06 0.04 -0.04 1.80 1.96 1mf0A1 ARG 338 HG2 0.04 -0.06 0.02 -0.04 1.67 1.62 1mf0A1 ARG 338 HG3 0.04 0.05 0.14 -0.04 1.67 1.87 1mf0A1 ARG 338 HD2 -0.03 0.00 -0.08 -0.04 3.22 3.07 1mf0A1 ARG 338 HD3 -0.04 0.07 -0.15 -0.04 3.22 3.06 1mf0A1 CYS 339 H 0.05 0.15 0.26 -0.55 8.50 8.42 1mf0A1 CYS 339 HA 0.36 0.34 1.12 -0.75 4.58 5.64 1mf0A1 CYS 339 HB2 -0.02 -0.03 0.16 -0.04 2.97 3.04 1mf0A1 CYS 339 HB3 0.06 -0.04 0.06 -0.04 2.97 3.00 1mf0A1 GLY 340 H 0.36 0.72 0.33 -0.55 8.43 9.28 1mf0A1 GLY 340 HA2 -0.24 0.01 0.59 -0.51 4.01 3.86 1mf0A1 GLY 340 HA3 -0.07 0.01 -0.01 -0.51 4.01 3.43 1mf0A1 TRP 341 H 0.11 0.28 0.10 -0.55 7.97 7.91 1mf0A1 TRP 341 HA 0.18 0.08 0.46 -0.75 4.62 4.59 1mf0A1 TRP 341 HB2 0.26 -0.04 0.04 -0.04 3.23 3.45 1mf0A1 TRP 341 HB3 0.17 0.19 0.17 -0.04 3.23 3.71 1mf0A1 TRP 341 HD1 -0.21 0.10 0.04 -0.04 7.22 7.11 1mf0A1 TRP 341 HE1 -0.25 0.01 0.02 -0.04 10.20 9.94 1mf0A1 TRP 341 HE3 0.05 0.11 0.19 -0.04 7.59 7.90 1mf0A1 TRP 341 HZ2 -0.13 -0.00 0.05 -0.04 7.44 7.32 1mf0A1 TRP 341 HZ3 -0.09 0.06 0.14 -0.04 7.13 7.20 1mf0A1 TRP 341 HH2 -0.12 0.09 0.15 -0.04 7.19 7.27 1mf0A1 LEU 342 H 0.57 0.28 0.30 -0.55 8.37 8.97 1mf0A1 LEU 342 HA 0.33 0.03 0.35 -0.75 4.35 4.31 1mf0A1 LEU 342 HB2 0.42 0.24 0.13 -0.04 1.64 2.39 1mf0A1 LEU 342 HB3 0.29 -0.08 0.10 -0.04 1.64 1.91 1mf0A1 LEU 342 HG 0.17 -0.09 -0.19 -0.04 1.64 1.48 1mf0A1 LEU 342 HD13 0.19 -0.02 -0.20 -0.04 0.93 0.85 1mf0A1 LEU 342 HD23 0.11 0.02 -0.07 -0.04 0.89 0.91 1mf0A1 ASP 343 H 0.22 0.20 0.02 -0.55 8.40 8.30 1mf0A1 ASP 343 HA 0.25 0.17 0.95 -0.75 4.63 5.25 1mf0A1 ASP 343 HB2 0.40 0.11 -0.16 -0.04 2.71 3.01 1mf0A1 ASP 343 HB3 0.23 -0.02 0.13 -0.04 2.70 3.00 1mf0A1 LEU 344 H 0.11 0.80 0.12 -0.55 8.37 8.85 1mf0A1 LEU 344 HA 0.05 0.02 0.40 -0.75 4.35 4.06 1mf0A1 LEU 344 HB2 0.03 0.18 0.24 -0.04 1.64 2.05 1mf0A1 LEU 344 HB3 0.03 0.07 0.05 -0.04 1.64 1.74 1mf0A1 LEU 344 HG 0.07 -0.07 -0.08 -0.04 1.64 1.53 1mf0A1 LEU 344 HD13 -0.17 0.02 -0.04 -0.04 0.93 0.70 1mf0A1 LEU 344 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.79 1mf0A1 MET 345 H -0.04 0.07 -0.37 -0.55 8.47 7.58 1mf0A1 MET 345 HA -0.05 0.18 0.36 -0.75 4.52 4.26 1mf0A1 MET 345 HB2 -0.37 -0.07 -0.06 -0.04 2.15 1.61 1mf0A1 MET 345 HB3 -0.17 0.04 -0.11 -0.04 2.03 1.74 1mf0A1 MET 345 HG2 -0.44 -0.01 -0.36 -0.04 2.63 1.79 1mf0A1 MET 345 HG3 -1.70 -0.03 -0.20 -0.04 2.56 0.59 1mf0A1 MET 345 HE3 -0.08 -0.00 -0.16 -0.04 2.10 1.82 1mf0A1 ILE 346 H 0.05 0.13 -0.18 -0.55 8.25 7.69 1mf0A1 ILE 346 HA -0.46 0.09 0.44 -0.75 4.18 3.50 1mf0A1 ILE 346 HB -0.44 0.02 0.07 -0.04 1.89 1.50 1mf0A1 ILE 346 HG12 0.01 0.14 0.13 -0.04 1.49 1.73 1mf0A1 ILE 346 HG13 -0.12 0.06 -0.05 -0.04 1.21 1.06 1mf0A1 ILE 346 HG23 -0.04 -0.00 -0.01 -0.04 0.93 0.84 1mf0A1 ILE 346 HD13 -0.23 -0.03 -0.00 -0.04 0.88 0.57 1mf0A1 LEU 347 H -0.01 0.26 -0.25 -0.55 8.37 7.83 1mf0A1 LEU 347 HA 0.03 0.04 0.39 -0.75 4.35 4.06 1mf0A1 LEU 347 HB2 0.03 0.01 0.14 -0.04 1.64 1.78 1mf0A1 LEU 347 HB3 0.04 0.08 -0.08 -0.04 1.64 1.65 1mf0A1 LEU 347 HG 0.02 0.03 -0.07 -0.04 1.64 1.58 1mf0A1 LEU 347 HD13 -0.01 -0.03 -0.08 -0.04 0.93 0.77 1mf0A1 LEU 347 HD23 0.06 0.07 -0.19 -0.04 0.89 0.79 1mf0A1 ARG 348 H 0.03 0.62 -0.08 -0.55 8.46 8.48 1mf0A1 ARG 348 HA 0.09 0.09 0.54 -0.75 4.34 4.30 1mf0A1 ARG 348 HB2 0.05 0.07 0.19 -0.04 1.90 2.17 1mf0A1 ARG 348 HB3 0.06 -0.03 0.02 -0.04 1.80 1.81 1mf0A1 ARG 348 HG2 0.04 0.00 0.13 -0.04 1.67 1.81 1mf0A1 ARG 348 HG3 0.04 -0.01 0.08 -0.04 1.67 1.73 1mf0A1 ARG 348 HD2 0.03 -0.09 0.05 -0.04 3.22 3.17 1mf0A1 ARG 348 HD3 0.01 0.27 0.14 -0.04 3.22 3.61 1mf0A1 TYR 349 H 0.08 0.47 -0.12 -0.55 8.29 8.17 1mf0A1 TYR 349 HA -0.07 0.04 0.48 -0.75 4.56 4.26 1mf0A1 TYR 349 HB2 -0.08 -0.04 0.15 -0.04 3.06 3.05 1mf0A1 TYR 349 HB3 -0.40 0.08 0.19 -0.04 2.98 2.81 1mf0A1 TYR 349 HD2 -0.16 -0.03 -0.07 -0.04 7.15 6.85 1mf0A1 TYR 349 HE2 0.05 0.02 -0.07 -0.04 6.85 6.80 1mf0A1 ALA 350 H 0.00 0.57 -0.24 -0.55 8.40 8.19 1mf0A1 ALA 350 HA -0.22 -0.05 0.43 -0.75 4.34 3.75 1mf0A1 ALA 350 HB3 0.10 0.03 0.19 -0.04 1.41 1.70 1mf0A1 HIS 351 H 0.08 0.47 -0.19 -0.55 8.41 8.23 1mf0A1 HIS 351 HA -0.76 -0.14 0.49 -0.75 4.63 3.46 1mf0A1 HIS 351 HB2 0.15 0.03 0.15 -0.04 3.26 3.55 1mf0A1 HIS 351 HB3 -0.05 0.17 0.17 -0.04 3.20 3.45 1mf0A1 HIS 351 HD2 -0.04 0.04 -0.05 -0.04 6.97 6.88 1mf0A1 HIS 351 HE1 0.01 0.33 -0.02 -0.04 7.75 8.02 1mf0A1 MET 352 H -0.22 0.48 -0.17 -0.55 8.47 8.01 1mf0A1 MET 352 HA -0.32 0.05 0.39 -0.75 4.52 3.88 1mf0A1 MET 352 HB2 -0.36 0.13 0.19 -0.04 2.15 2.07 1mf0A1 MET 352 HB3 -0.26 -0.05 0.03 -0.04 2.03 1.71 1mf0A1 MET 352 HG2 -0.10 -0.02 0.06 -0.04 2.63 2.53 1mf0A1 MET 352 HG3 -0.07 0.24 0.09 -0.04 2.56 2.78 1mf0A1 MET 352 HE3 0.10 -0.01 -0.04 -0.04 2.10 2.10 1mf0A1 VAL 353 H -0.53 0.30 -0.32 -0.55 8.24 7.14 1mf0A1 VAL 353 HA -0.52 0.12 0.59 -0.75 4.13 3.57 1mf0A1 VAL 353 HB -0.54 0.05 0.16 -0.04 2.12 1.74 1mf0A1 VAL 353 HG13 -0.78 -0.06 -0.06 -0.04 0.97 0.03 1mf0A1 VAL 353 HG23 -0.96 0.04 0.02 -0.04 0.95 0.01 1mf0A1 ASN 354 H -0.56 0.60 0.11 -0.55 8.53 8.13 1mf0A1 ASN 354 HA -0.32 0.02 0.76 -0.75 4.76 4.47 1mf0A1 ASN 354 HB2 -1.22 0.11 0.05 -0.04 2.88 1.78 1mf0A1 ASN 354 HB3 -0.48 -0.02 -0.09 -0.04 2.79 2.16 1mf0A1 ASN 354 HD21 0.00 -0.12 0.02 -0.04 7.03 6.90 1mf0A1 ASN 354 HD22 -0.04 0.09 -0.02 -0.04 7.74 7.73 1mf0A1 GLY 355 H -0.71 0.62 0.06 -0.55 8.43 7.86 1mf0A1 GLY 355 HA2 -0.60 0.09 0.34 -0.51 4.01 3.34 1mf0A1 GLY 355 HA3 -0.28 0.05 0.39 -0.51 4.01 3.66 1mf0A1 PHE 356 H -0.13 -0.02 -0.00 -0.55 8.34 7.64 1mf0A1 PHE 356 HA 0.07 0.12 0.39 -0.75 4.62 4.45 1mf0A1 PHE 356 HB2 0.13 0.04 0.02 -0.04 3.15 3.29 1mf0A1 PHE 356 HB3 0.12 0.01 0.10 -0.04 3.06 3.24 1mf0A1 PHE 356 HD2 0.08 0.09 -0.19 -0.04 7.28 7.21 1mf0A1 PHE 356 HE2 0.02 0.02 -0.19 -0.04 7.38 7.19 1mf0A1 PHE 356 HZ -0.02 -0.05 -0.16 -0.04 7.32 7.05 1mf0A1 THR 357 H 0.19 0.74 0.52 -0.55 8.28 9.18 1mf0A1 THR 357 HA 0.12 0.20 0.76 -0.75 4.39 4.71 1mf0A1 THR 357 HB 0.06 0.01 0.14 -0.04 4.32 4.49 1mf0A1 THR 357 HG23 -0.01 0.04 0.12 -0.04 1.22 1.34 1mf0A1 ALA 358 H 0.31 0.25 0.21 -0.55 8.40 8.63 1mf0A1 ALA 358 HA 0.15 0.24 0.46 -0.75 4.34 4.44 1mf0A1 ALA 358 HB3 0.27 0.00 -0.05 -0.04 1.41 1.59 1mf0A1 LEU 359 H 0.04 0.49 0.42 -0.55 8.37 8.77 1mf0A1 LEU 359 HA -0.03 0.22 1.16 -0.75 4.35 4.94 1mf0A1 LEU 359 HB2 -0.01 -0.08 -0.02 -0.04 1.64 1.50 1mf0A1 LEU 359 HB3 -0.05 0.02 -0.01 -0.04 1.64 1.55 1mf0A1 LEU 359 HG -0.03 0.06 -0.37 -0.04 1.64 1.27 1mf0A1 LEU 359 HD13 -0.04 0.01 -0.20 -0.04 0.93 0.66 1mf0A1 LEU 359 HD23 -0.22 0.01 -0.13 -0.04 0.89 0.51 1mf0A1 ALA 360 H -0.04 0.72 0.27 -0.55 8.40 8.81 1mf0A1 ALA 360 HA 0.18 0.10 0.83 -0.75 4.34 4.70 1mf0A1 ALA 360 HB3 -0.02 -0.02 -0.04 -0.04 1.41 1.29 1mf0A1 LEU 361 H 0.08 0.74 0.20 -0.55 8.37 8.84 1mf0A1 LEU 361 HA 0.03 0.41 0.96 -0.75 4.35 5.00 1mf0A1 LEU 361 HB2 0.06 -0.02 0.05 -0.04 1.64 1.69 1mf0A1 LEU 361 HB3 0.09 0.00 0.29 -0.04 1.64 1.98 1mf0A1 LEU 361 HG 0.14 -0.09 -0.17 -0.04 1.64 1.48 1mf0A1 LEU 361 HD13 0.12 0.08 -0.10 -0.04 0.93 0.99 1mf0A1 LEU 361 HD23 0.17 -0.00 -0.04 -0.04 0.89 0.98 1mf0A1 THR 362 H 0.00 0.49 0.14 -0.55 8.28 8.36 1mf0A1 THR 362 HA 0.02 0.02 0.93 -0.75 4.39 4.60 1mf0A1 THR 362 HB -0.03 -0.02 0.08 -0.04 4.32 4.30 1mf0A1 THR 362 HG23 -0.05 0.01 -0.15 -0.04 1.22 0.99 1mf0A1 LYS 363 H 0.02 0.14 0.14 -0.55 8.42 8.17 1mf0A1 LYS 363 HA 0.06 0.00 0.26 -0.75 4.32 3.89 1mf0A1 LYS 363 HB2 0.05 0.04 0.22 -0.04 1.87 2.14 1mf0A1 LYS 363 HB3 0.15 0.03 0.12 -0.04 1.79 2.05 1mf0A1 LYS 363 HG2 -0.02 0.02 -0.09 -0.04 1.46 1.33 1mf0A1 LYS 363 HG3 -0.06 -0.06 -0.52 -0.04 1.46 0.78 1mf0A1 LYS 363 HD2 -0.09 0.04 -0.09 -0.04 1.69 1.51 1mf0A1 LYS 363 HD3 -0.19 -0.01 -0.05 -0.04 1.68 1.39 1mf0A1 LYS 363 HE2 0.08 -0.03 -0.01 -0.04 2.99 2.99 1mf0A1 LYS 363 HE3 -0.04 -0.04 -0.05 -0.04 2.99 2.82 1mf0A1 LEU 364 H 0.09 0.61 0.12 -0.55 8.37 8.65 1mf0A1 LEU 364 HA 0.22 0.12 0.41 -0.75 4.35 4.35 1mf0A1 LEU 364 HB2 0.09 0.07 0.04 -0.04 1.64 1.80 1mf0A1 LEU 364 HB3 0.05 -0.00 0.03 -0.04 1.64 1.69 1mf0A1 LEU 364 HG -0.03 -0.06 -0.10 -0.04 1.64 1.42 1mf0A1 LEU 364 HD13 0.12 0.02 -0.03 -0.04 0.93 1.00 1mf0A1 LEU 364 HD23 -0.23 0.00 -0.10 -0.04 0.89 0.52 1mf0A1 ASP 365 H 0.10 0.16 -0.03 -0.55 8.40 8.08 1mf0A1 ASP 365 HA 0.19 0.02 0.31 -0.75 4.63 4.39 1mf0A1 ASP 365 HB2 0.06 -0.02 0.06 -0.04 2.71 2.76 1mf0A1 ASP 365 HB3 0.06 0.05 0.08 -0.04 2.70 2.85 1mf0A1 ILE 366 H 0.12 0.19 -0.69 -0.55 8.25 7.32 1mf0A1 ILE 366 HA -0.01 0.08 0.32 -0.75 4.18 3.82 1mf0A1 ILE 366 HB 0.22 0.25 0.02 -0.04 1.89 2.35 1mf0A1 ILE 366 HG12 0.16 0.01 -0.08 -0.04 1.49 1.54 1mf0A1 ILE 366 HG13 -0.03 0.06 -0.38 -0.04 1.21 0.82 1mf0A1 ILE 366 HG23 -0.27 -0.01 -0.18 -0.04 0.93 0.42 1mf0A1 ILE 366 HD13 0.01 -0.04 -0.13 -0.04 0.88 0.68 1mf0A1 LEU 367 H 0.15 0.67 -0.26 -0.55 8.37 8.38 1mf0A1 LEU 367 HA -0.16 0.09 0.75 -0.75 4.35 4.28 1mf0A1 LEU 367 HB2 0.16 0.13 0.07 -0.04 1.64 1.96 1mf0A1 LEU 367 HB3 -0.39 -0.07 0.12 -0.04 1.64 1.27 1mf0A1 LEU 367 HG 0.14 0.01 -0.07 -0.04 1.64 1.68 1mf0A1 LEU 367 HD13 0.02 0.04 0.01 -0.04 0.93 0.96 1mf0A1 LEU 367 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1mf0A1 ASP 368 H 0.04 0.47 -0.29 -0.55 8.40 8.07 1mf0A1 ASP 368 HA -0.34 -0.03 0.35 -0.75 4.63 3.85 1mf0A1 ASP 368 HB2 0.01 0.02 0.03 -0.04 2.71 2.74 1mf0A1 ASP 368 HB3 0.06 0.04 -0.10 -0.04 2.70 2.66 1mf0A1 VAL 369 H -0.17 0.11 -0.44 -0.55 8.24 7.20 1mf0A1 VAL 369 HA -0.14 0.11 0.52 -0.75 4.13 3.87 1mf0A1 VAL 369 HB -0.12 0.03 0.03 -0.04 2.12 2.02 1mf0A1 VAL 369 HG13 -0.08 -0.01 -0.18 -0.04 0.97 0.66 1mf0A1 VAL 369 HG23 -0.06 -0.00 -0.05 -0.04 0.95 0.80 1mf0A1 LEU 370 H -0.25 0.10 -0.09 -0.55 8.37 7.59 1mf0A1 LEU 370 HA -0.12 -0.03 0.39 -0.75 4.35 3.84 1mf0A1 LEU 370 HB2 -0.28 0.09 0.01 -0.04 1.64 1.42 1mf0A1 LEU 370 HB3 -0.06 0.06 -0.00 -0.04 1.64 1.59 1mf0A1 LEU 370 HG -0.16 0.01 0.11 -0.04 1.64 1.56 1mf0A1 LEU 370 HD13 0.13 0.01 0.05 -0.04 0.93 1.08 1mf0A1 LEU 370 HD23 -0.07 -0.01 0.04 -0.04 0.89 0.80 1mf0A1 SER 371 H -0.09 0.08 0.23 -0.55 8.46 8.13 1mf0A1 SER 371 HA -0.13 0.18 0.61 -0.75 4.49 4.40 1mf0A1 SER 371 HB2 -0.06 -0.04 0.10 -0.04 3.95 3.91 1mf0A1 SER 371 HB3 -0.06 0.01 0.10 -0.04 3.93 3.94 1mf0A1 GLU 372 H -0.09 0.15 0.04 -0.55 8.60 8.16 1mf0A1 GLU 372 HA -0.12 0.15 0.66 -0.75 4.29 4.23 1mf0A1 GLU 372 HB2 -0.11 0.05 -0.12 -0.04 2.09 1.87 1mf0A1 GLU 372 HB3 -0.08 0.06 -0.24 -0.04 1.99 1.69 1mf0A1 GLU 372 HG2 -0.06 -0.10 0.01 -0.04 2.34 2.15 1mf0A1 GLU 372 HG3 -0.13 -0.01 -0.22 -0.04 2.34 1.93 1mf0A1 ILE 373 H -0.14 1.09 0.24 -0.55 8.25 8.89 1mf0A1 ILE 373 HA -0.24 0.10 1.08 -0.75 4.18 4.36 1mf0A1 ILE 373 HB -0.04 0.04 0.06 -0.04 1.89 1.91 1mf0A1 ILE 373 HG12 -0.11 -0.02 -0.13 -0.04 1.49 1.19 1mf0A1 ILE 373 HG13 -0.24 -0.09 -0.36 -0.04 1.21 0.48 1mf0A1 ILE 373 HG23 0.18 0.03 -0.03 -0.04 0.93 1.07 1mf0A1 ILE 373 HD13 -0.53 0.04 -0.05 -0.04 0.88 0.29 1mf0A1 LYS 374 H -2.06 0.11 0.22 -0.55 8.42 6.14 1mf0A1 LYS 374 HA -0.52 0.40 0.98 -0.75 4.32 4.42 1mf0A1 LYS 374 HB2 -2.90 -0.05 0.12 -0.04 1.87 -1.01 1mf0A1 LYS 374 HB3 -1.16 -0.02 -0.00 -0.04 1.79 0.57 1mf0A1 LYS 374 HG2 -0.49 0.03 -0.15 -0.04 1.46 0.81 1mf0A1 LYS 374 HG3 -0.73 -0.05 -0.14 -0.04 1.46 0.49 1mf0A1 LYS 374 HD2 -0.30 0.01 -0.06 -0.04 1.69 1.30 1mf0A1 LYS 374 HD3 -0.57 -0.03 -0.01 -0.04 1.68 1.03 1mf0A1 LYS 374 HE2 -1.31 -0.01 -0.06 -0.04 2.99 1.56 1mf0A1 LYS 374 HE3 -0.36 0.01 -0.10 -0.04 2.99 2.49 1mf0A1 VAL 375 H -0.12 0.44 0.32 -0.55 8.24 8.33 1mf0A1 VAL 375 HA 0.24 0.09 0.75 -0.75 4.13 4.46 1mf0A1 VAL 375 HB 0.19 -0.01 0.07 -0.04 2.12 2.33 1mf0A1 VAL 375 HG13 -0.18 0.01 -0.21 -0.04 0.97 0.55 1mf0A1 VAL 375 HG23 0.20 -0.01 -0.27 -0.04 0.95 0.83 1mf0A1 GLY 376 H 0.39 0.62 0.24 -0.55 8.43 9.14 1mf0A1 GLY 376 HA2 0.01 0.15 0.52 -0.51 4.01 4.17 1mf0A1 GLY 376 HA3 0.13 -0.04 0.36 -0.51 4.01 3.95 1mf0A1 ILE 377 H 0.01 0.61 0.44 -0.55 8.25 8.76 1mf0A1 ILE 377 HA 0.04 0.13 1.01 -0.75 4.18 4.61 1mf0A1 ILE 377 HB 0.09 0.02 0.03 -0.04 1.89 1.99 1mf0A1 ILE 377 HG12 0.05 0.18 0.02 -0.04 1.49 1.69 1mf0A1 ILE 377 HG13 0.03 -0.02 -0.08 -0.04 1.21 1.10 1mf0A1 ILE 377 HG23 0.12 0.04 -0.08 -0.04 0.93 0.96 1mf0A1 ILE 377 HD13 0.09 -0.01 -0.13 -0.04 0.88 0.80 1mf0A1 SER 378 H -0.03 0.25 0.31 -0.55 8.46 8.45 1mf0A1 SER 378 HA -0.17 0.12 0.52 -0.75 4.49 4.21 1mf0A1 SER 378 HB2 -0.02 0.09 0.10 -0.04 3.95 4.08 1mf0A1 SER 378 HB3 -0.01 0.15 -0.15 -0.04 3.93 3.88 1mf0A1 TYR 379 H -0.02 0.30 0.17 -0.55 8.29 8.19 1mf0A1 TYR 379 HA -0.03 0.20 0.99 -0.75 4.56 4.98 1mf0A1 TYR 379 HB2 -0.02 0.02 -0.00 -0.04 3.06 3.01 1mf0A1 TYR 379 HB3 -0.02 0.04 -0.06 -0.04 2.98 2.89 1mf0A1 TYR 379 HD2 -0.03 0.08 -0.17 -0.04 7.15 6.99 1mf0A1 TYR 379 HE2 0.06 -0.01 -0.11 -0.04 6.85 6.75 1mf0A1 LYS 380 H 0.08 0.64 0.26 -0.55 8.42 8.85 1mf0A1 LYS 380 HA 0.03 0.13 0.95 -0.75 4.32 4.67 1mf0A1 LYS 380 HB2 0.01 -0.10 -0.57 -0.04 1.87 1.17 1mf0A1 LYS 380 HB3 0.03 -0.00 -0.36 -0.04 1.79 1.41 1mf0A1 LYS 380 HG2 0.03 0.18 -0.06 -0.04 1.46 1.57 1mf0A1 LYS 380 HG3 0.01 -0.04 -0.11 -0.04 1.46 1.28 1mf0A1 LYS 380 HD2 0.01 -0.08 -0.27 -0.04 1.69 1.31 1mf0A1 LYS 380 HD3 0.02 0.01 -0.21 -0.04 1.68 1.46 1mf0A1 LYS 380 HE2 0.02 0.03 -0.15 -0.04 2.99 2.85 1mf0A1 LYS 380 HE3 0.02 -0.02 -0.09 -0.04 2.99 2.86 1mf0A1 LEU 381 H -0.00 0.46 0.24 -0.55 8.37 8.53 1mf0A1 LEU 381 HA -0.02 0.20 0.80 -0.75 4.35 4.58 1mf0A1 LEU 381 HB2 -0.02 -0.02 0.10 -0.04 1.64 1.66 1mf0A1 LEU 381 HB3 -0.01 -0.09 0.16 -0.04 1.64 1.66 1mf0A1 LEU 381 HG -0.02 -0.03 -0.02 -0.04 1.64 1.53 1mf0A1 LEU 381 HD13 -0.01 0.01 -0.12 -0.04 0.93 0.77 1mf0A1 LEU 381 HD23 -0.04 0.03 -0.12 -0.04 0.89 0.72 1mf0A1 ASN 382 H -0.01 0.11 0.09 -0.55 8.53 8.18 1mf0A1 ASN 382 HA -0.00 0.30 0.91 -0.75 4.76 5.22 1mf0A1 ASN 382 HB2 -0.00 -0.03 0.19 -0.04 2.88 3.00 1mf0A1 ASN 382 HB3 -0.00 0.05 0.15 -0.04 2.79 2.94 1mf0A1 ASN 382 HD21 -0.00 0.02 -0.06 -0.04 7.03 6.95 1mf0A1 ASN 382 HD22 -0.00 0.07 0.05 -0.04 7.74 7.83 1mf0A1 GLY 383 H 0.00 0.29 -0.24 -0.55 8.43 7.94 1mf0A1 GLY 383 HA2 0.01 0.04 0.24 -0.51 4.01 3.79 1mf0A1 GLY 383 HA3 0.01 0.12 0.42 -0.51 4.01 4.04 1mf0A1 LYS 384 H 0.00 -0.21 -0.91 -0.55 8.42 6.75 1mf0A1 LYS 384 HA -0.00 0.22 0.79 -0.75 4.32 4.57 1mf0A1 LYS 384 HB2 -0.01 0.10 -0.10 -0.04 1.87 1.82 1mf0A1 LYS 384 HB3 -0.00 0.14 -0.06 -0.04 1.79 1.83 1mf0A1 LYS 384 HG2 -0.01 0.14 0.06 -0.04 1.46 1.61 1mf0A1 LYS 384 HG3 -0.01 -0.31 0.21 -0.04 1.46 1.30 1mf0A1 LYS 384 HD2 -0.01 0.11 -0.01 -0.04 1.69 1.74 1mf0A1 LYS 384 HD3 -0.01 0.01 0.03 -0.04 1.68 1.67 1mf0A1 LYS 384 HE2 -0.03 -0.16 -0.10 -0.04 2.99 2.67 1mf0A1 LYS 384 HE3 -0.03 0.14 -0.19 -0.04 2.99 2.86 1mf0A1 ARG 385 H -0.00 0.21 0.10 -0.55 8.46 8.21 1mf0A1 ARG 385 HA 0.01 0.13 0.69 -0.75 4.34 4.42 1mf0A1 ARG 385 HB2 0.01 -0.03 0.04 -0.04 1.90 1.87 1mf0A1 ARG 385 HB3 -0.00 -0.02 0.13 -0.04 1.80 1.87 1mf0A1 ARG 385 HG2 -0.01 0.14 -0.32 -0.04 1.67 1.44 1mf0A1 ARG 385 HG3 0.01 0.02 -0.02 -0.04 1.67 1.63 1mf0A1 ARG 385 HD2 0.00 -0.01 -0.05 -0.04 3.22 3.12 1mf0A1 ARG 385 HD3 0.00 0.01 -0.06 -0.04 3.22 3.14 1mf0A1 ILE 386 H 0.01 0.31 0.28 -0.55 8.25 8.31 1mf0A1 ILE 386 HA -0.09 0.08 0.48 -0.75 4.18 3.89 1mf0A1 ILE 386 HB -0.15 0.03 0.04 -0.04 1.89 1.77 1mf0A1 ILE 386 HG12 0.10 0.05 -0.04 -0.04 1.49 1.56 1mf0A1 ILE 386 HG13 0.02 -0.00 -0.09 -0.04 1.21 1.10 1mf0A1 ILE 386 HG23 -0.03 -0.02 -0.01 -0.04 0.93 0.82 1mf0A1 ILE 386 HD13 0.15 0.01 -0.07 -0.04 0.88 0.94 1mf0A1 PRO 387 HA -0.04 0.09 0.43 -0.51 4.44 4.41 1mf0A1 PRO 387 HB2 -0.00 0.02 0.00 -0.04 2.28 2.26 1mf0A1 PRO 387 HB3 -0.06 0.03 0.12 -0.04 2.02 2.07 1mf0A1 PRO 387 HG2 -1.23 0.00 0.05 -0.04 2.03 0.82 1mf0A1 PRO 387 HG3 -0.29 0.03 0.07 -0.04 2.03 1.79 1mf0A1 PRO 387 HD2 -0.30 0.03 0.23 -0.04 3.68 3.60 1mf0A1 PRO 387 HD3 -0.15 0.19 0.24 -0.04 3.65 3.90 1mf0A1 TYR 388 H -0.48 0.17 -0.16 -0.55 8.29 7.27 1mf0A1 TYR 388 HA 0.09 0.14 0.52 -0.75 4.56 4.56 1mf0A1 TYR 388 HB2 0.14 -0.00 0.05 -0.04 3.06 3.21 1mf0A1 TYR 388 HB3 0.08 0.14 -0.07 -0.04 2.98 3.09 1mf0A1 TYR 388 HD2 0.07 0.14 -0.39 -0.04 7.15 6.92 1mf0A1 TYR 388 HE2 0.04 -0.03 -0.07 -0.04 6.85 6.74 1mf0A1 PHE 389 H 0.43 0.14 0.08 -0.55 8.34 8.44 1mf0A1 PHE 389 HA 0.12 0.04 0.35 -0.75 4.62 4.38 1mf0A1 PHE 389 HB2 -0.00 -0.01 0.09 -0.04 3.15 3.19 1mf0A1 PHE 389 HB3 -0.35 0.03 0.03 -0.04 3.06 2.72 1mf0A1 PHE 389 HD2 -0.30 0.00 -0.21 -0.04 7.28 6.73 1mf0A1 PHE 389 HE2 0.08 -0.03 -0.11 -0.04 7.38 7.28 1mf0A1 PHE 389 HZ 0.09 -0.02 -0.05 -0.04 7.32 7.29 1mf0A1 PRO 390 HA 0.06 -0.02 0.40 -0.51 4.44 4.37 1mf0A1 PRO 390 HB2 -0.22 0.04 -0.04 -0.04 2.28 2.02 1mf0A1 PRO 390 HB3 -0.08 -0.02 0.07 -0.04 2.02 1.94 1mf0A1 PRO 390 HG2 -0.26 -0.02 0.02 -0.04 2.03 1.73 1mf0A1 PRO 390 HG3 -0.10 0.08 0.05 -0.04 2.03 2.02 1mf0A1 PRO 390 HD2 -1.39 0.09 0.11 -0.04 3.68 2.44 1mf0A1 PRO 390 HD3 -0.23 0.12 0.20 -0.04 3.65 3.70 1mf0A1 ALA 391 H 0.11 0.10 0.18 -0.55 8.40 8.24 1mf0A1 ALA 391 HA 0.13 0.20 0.48 -0.75 4.34 4.39 1mf0A1 ALA 391 HB3 0.09 0.00 0.09 -0.04 1.41 1.55 1mf0A1 ASN 392 H 0.05 -0.00 -0.09 -0.55 8.53 7.93 1mf0A1 ASN 392 HA 0.08 0.19 0.67 -0.75 4.76 4.95 1mf0A1 ASN 392 HB2 0.05 0.07 0.06 -0.04 2.88 3.03 1mf0A1 ASN 392 HB3 0.03 -0.05 0.15 -0.04 2.79 2.88 1mf0A1 ASN 392 HD21 0.04 0.06 -0.04 -0.04 7.03 7.05 1mf0A1 ASN 392 HD22 0.03 0.04 -0.01 -0.04 7.74 7.76 1mf0A1 GLN 393 H 0.12 0.40 0.16 -0.55 8.47 8.60 1mf0A1 GLN 393 HA 0.07 0.08 0.33 -0.75 4.36 4.08 1mf0A1 GLN 393 HB2 0.21 0.20 0.03 -0.04 2.15 2.54 1mf0A1 GLN 393 HB3 0.19 0.01 0.07 -0.04 2.02 2.25 1mf0A1 GLN 393 HG2 0.17 -0.07 0.09 -0.04 2.40 2.56 1mf0A1 GLN 393 HG3 0.29 0.19 0.02 -0.04 2.39 2.85 1mf0A1 GLN 393 HE21 0.16 0.01 -0.17 -0.04 6.97 6.92 1mf0A1 GLN 393 HE22 0.17 0.02 -0.35 -0.04 7.69 7.49 1mf0A1 GLU 394 H 0.08 0.11 -0.24 -0.55 8.60 8.00 1mf0A1 GLU 394 HA 0.04 0.10 0.34 -0.75 4.29 4.02 1mf0A1 GLU 394 HB2 0.06 -0.03 0.06 -0.04 2.09 2.14 1mf0A1 GLU 394 HB3 0.03 0.04 -0.10 -0.04 1.99 1.92 1mf0A1 GLU 394 HG2 0.05 0.03 0.00 -0.04 2.34 2.37 1mf0A1 GLU 394 HG3 0.03 0.03 0.04 -0.04 2.34 2.41 1mf0A1 ILE 395 H 0.00 0.33 -0.45 -0.55 8.25 7.58 1mf0A1 ILE 395 HA -0.02 0.12 0.49 -0.75 4.18 4.01 1mf0A1 ILE 395 HB -0.04 0.17 0.15 -0.04 1.89 2.13 1mf0A1 ILE 395 HG12 -0.01 0.04 -0.00 -0.04 1.49 1.48 1mf0A1 ILE 395 HG13 0.01 -0.07 -0.02 -0.04 1.21 1.09 1mf0A1 ILE 395 HG23 -0.05 -0.00 -0.18 -0.04 0.93 0.65 1mf0A1 ILE 395 HD13 0.01 -0.02 0.03 -0.04 0.88 0.86 1mf0A1 LEU 396 H -0.07 0.30 -0.04 -0.55 8.37 8.01 1mf0A1 LEU 396 HA -0.23 -0.02 0.32 -0.75 4.35 3.67 1mf0A1 LEU 396 HB2 -0.19 0.03 0.11 -0.04 1.64 1.55 1mf0A1 LEU 396 HB3 -0.02 0.20 0.11 -0.04 1.64 1.89 1mf0A1 LEU 396 HG -0.01 -0.04 -0.10 -0.04 1.64 1.44 1mf0A1 LEU 396 HD13 -0.40 -0.02 0.02 -0.04 0.93 0.49 1mf0A1 LEU 396 HD23 0.19 0.02 -0.04 -0.04 0.89 1.01 1mf0A1 GLN 397 H -0.03 0.22 -0.77 -0.55 8.47 7.34 1mf0A1 GLN 397 HA -0.03 -0.01 0.46 -0.75 4.36 4.03 1mf0A1 GLN 397 HB2 -0.02 -0.09 0.04 -0.04 2.15 2.05 1mf0A1 GLN 397 HB3 -0.01 0.21 0.01 -0.04 2.02 2.19 1mf0A1 GLN 397 HG2 -0.02 -0.02 -0.01 -0.04 2.40 2.30 1mf0A1 GLN 397 HG3 -0.02 0.05 -0.02 -0.04 2.39 2.36 1mf0A1 GLN 397 HE21 -0.03 -0.02 0.02 -0.04 6.97 6.90 1mf0A1 GLN 397 HE22 -0.02 0.06 0.11 -0.04 7.69 7.80 1mf0A1 LYS 398 H -0.06 0.80 -0.18 -0.55 8.42 8.43 1mf0A1 LYS 398 HA -0.03 0.18 0.91 -0.75 4.32 4.63 1mf0A1 LYS 398 HB2 -0.03 0.01 0.13 -0.04 1.87 1.93 1mf0A1 LYS 398 HB3 -0.02 -0.05 0.19 -0.04 1.79 1.86 1mf0A1 LYS 398 HG2 -0.01 -0.01 -0.04 -0.04 1.46 1.36 1mf0A1 LYS 398 HG3 -0.02 -0.02 -0.18 -0.04 1.46 1.21 1mf0A1 LYS 398 HD2 -0.00 -0.02 -0.00 -0.04 1.69 1.62 1mf0A1 LYS 398 HD3 -0.01 -0.03 0.05 -0.04 1.68 1.64 1mf0A1 LYS 398 HE2 -0.01 -0.00 0.03 -0.04 2.99 2.96 1mf0A1 LYS 398 HE3 -0.00 -0.00 0.01 -0.04 2.99 2.95 1mf0A1 VAL 399 H -0.12 0.19 -0.19 -0.55 8.24 7.58 1mf0A1 VAL 399 HA -0.06 0.16 0.68 -0.75 4.13 4.15 1mf0A1 VAL 399 HB -0.13 -0.11 -0.08 -0.04 2.12 1.76 1mf0A1 VAL 399 HG13 -0.15 0.01 -0.15 -0.04 0.97 0.63 1mf0A1 VAL 399 HG23 -0.53 0.07 -0.08 -0.04 0.95 0.37 1mf0A1 GLU 400 H -0.02 0.74 0.39 -0.55 8.60 9.17 1mf0A1 GLU 400 HA -0.01 0.15 0.87 -0.75 4.29 4.55 1mf0A1 GLU 400 HB2 0.00 0.05 0.08 -0.04 2.09 2.18 1mf0A1 GLU 400 HB3 0.01 0.00 0.20 -0.04 1.99 2.16 1mf0A1 GLU 400 HG2 0.01 0.10 -0.28 -0.04 2.34 2.13 1mf0A1 GLU 400 HG3 0.03 0.00 0.04 -0.04 2.34 2.37 1mf0A1 VAL 401 H -0.03 0.20 0.11 -0.55 8.24 7.97 1mf0A1 VAL 401 HA 0.10 0.14 0.89 -0.75 4.13 4.50 1mf0A1 VAL 401 HB 0.11 -0.02 0.03 -0.04 2.12 2.21 1mf0A1 VAL 401 HG13 0.03 0.00 -0.12 -0.04 0.97 0.83 1mf0A1 VAL 401 HG23 -0.86 -0.01 -0.30 -0.04 0.95 -0.26 1mf0A1 GLU 402 H -0.03 0.64 0.34 -0.55 8.60 9.01 1mf0A1 GLU 402 HA -0.03 0.14 0.76 -0.75 4.29 4.41 1mf0A1 GLU 402 HB2 0.00 -0.12 0.14 -0.04 2.09 2.08 1mf0A1 GLU 402 HB3 0.02 0.07 -0.01 -0.04 1.99 2.03 1mf0A1 GLU 402 HG2 0.01 0.04 -0.09 -0.04 2.34 2.26 1mf0A1 GLU 402 HG3 0.02 0.01 -0.18 -0.04 2.34 2.14 1mf0A1 TYR 403 H 0.10 0.20 0.15 -0.55 8.29 8.19 1mf0A1 TYR 403 HA 0.01 0.18 0.97 -0.75 4.56 4.96 1mf0A1 TYR 403 HB2 -0.05 0.02 0.01 -0.04 3.06 3.00 1mf0A1 TYR 403 HB3 -0.15 0.01 -0.14 -0.04 2.98 2.65 1mf0A1 TYR 403 HD2 -0.01 -0.01 -0.28 -0.04 7.15 6.81 1mf0A1 TYR 403 HE2 0.19 0.01 -0.05 -0.04 6.85 6.95 1mf0A1 GLU 404 H 0.11 0.42 0.27 -0.55 8.60 8.86 1mf0A1 GLU 404 HA 0.03 0.14 0.81 -0.75 4.29 4.52 1mf0A1 GLU 404 HB2 0.14 -0.00 0.01 -0.04 2.09 2.20 1mf0A1 GLU 404 HB3 0.02 0.04 0.16 -0.04 1.99 2.17 1mf0A1 GLU 404 HG2 -0.09 -0.00 -0.09 -0.04 2.34 2.12 1mf0A1 GLU 404 HG3 -0.07 0.07 -0.16 -0.04 2.34 2.14 1mf0A1 THR 405 H -0.06 0.20 0.12 -0.55 8.28 7.99 1mf0A1 THR 405 HA -0.25 0.16 0.91 -0.75 4.39 4.47 1mf0A1 THR 405 HB -0.08 0.01 0.09 -0.04 4.32 4.29 1mf0A1 THR 405 HG23 -0.14 -0.01 -0.28 -0.04 1.22 0.75 1mf0A1 LEU 406 H -0.19 0.88 0.27 -0.55 8.37 8.78 1mf0A1 LEU 406 HA -0.08 0.23 1.05 -0.75 4.35 4.80 1mf0A1 LEU 406 HB2 -0.06 0.04 0.08 -0.04 1.64 1.67 1mf0A1 LEU 406 HB3 -0.01 0.07 -0.02 -0.04 1.64 1.64 1mf0A1 LEU 406 HG -0.46 -0.05 -0.34 -0.04 1.64 0.75 1mf0A1 LEU 406 HD13 -1.01 -0.01 -0.09 -0.04 0.93 -0.21 1mf0A1 LEU 406 HD23 -0.16 0.05 -0.07 -0.04 0.89 0.67 1mf0A1 PRO 407 HA -0.04 0.05 0.55 -0.51 4.44 4.49 1mf0A1 PRO 407 HB2 0.03 0.13 0.04 -0.04 2.28 2.44 1mf0A1 PRO 407 HB3 0.00 0.00 0.15 -0.04 2.02 2.13 1mf0A1 PRO 407 HG2 0.07 -0.01 0.09 -0.04 2.03 2.15 1mf0A1 PRO 407 HG3 0.04 0.02 0.08 -0.04 2.03 2.13 1mf0A1 PRO 407 HD2 0.00 0.08 0.23 -0.04 3.68 3.95 1mf0A1 PRO 407 HD3 -0.01 0.15 0.20 -0.04 3.65 3.95 1mf0A1 GLY 408 H -0.09 0.55 0.21 -0.55 8.43 8.55 1mf0A1 GLY 408 HA2 -0.29 0.06 0.49 -0.51 4.01 3.77 1mf0A1 GLY 408 HA3 -0.34 0.21 0.07 -0.51 4.01 3.44 1mf0A1 TRP 409 H -0.85 0.14 0.07 -0.55 7.97 6.78 1mf0A1 TRP 409 HA -0.04 0.13 0.69 -0.75 4.62 4.65 1mf0A1 TRP 409 HB2 -0.05 0.02 -0.06 -0.04 3.23 3.10 1mf0A1 TRP 409 HB3 -0.05 -0.19 -0.12 -0.04 3.23 2.83 1mf0A1 TRP 409 HD1 -0.05 0.03 -0.16 -0.04 7.22 7.00 1mf0A1 TRP 409 HE1 -0.05 -0.02 -0.05 -0.04 10.20 10.04 1mf0A1 TRP 409 HE3 -0.06 0.02 -0.39 -0.04 7.59 7.11 1mf0A1 TRP 409 HZ2 -0.09 0.09 -0.16 -0.04 7.44 7.25 1mf0A1 TRP 409 HZ3 -0.36 0.06 -0.07 -0.04 7.13 6.73 1mf0A1 TRP 409 HH2 -0.45 0.01 -0.03 -0.04 7.19 6.67 1mf0A1 LYS 410 H -0.64 0.04 -0.02 -0.55 8.42 7.24 1mf0A1 LYS 410 HA -0.27 0.58 0.46 -0.75 4.32 4.34 1mf0A1 LYS 410 HB2 -0.06 0.03 -0.15 -0.04 1.87 1.65 1mf0A1 LYS 410 HB3 -0.08 -0.05 0.11 -0.04 1.79 1.73 1mf0A1 LYS 410 HG2 -0.18 0.20 -0.21 -0.04 1.46 1.23 1mf0A1 LYS 410 HG3 -0.20 -0.08 -0.18 -0.04 1.46 0.96 1mf0A1 LYS 410 HD2 -0.07 -0.04 -0.02 -0.04 1.69 1.52 1mf0A1 LYS 410 HD3 -0.09 -0.12 0.05 -0.04 1.68 1.48 1mf0A1 LYS 410 HE2 -0.05 0.08 -0.09 -0.04 2.99 2.89 1mf0A1 LYS 410 HE3 -0.04 0.02 -0.10 -0.04 2.99 2.83 1mf0A1 ALA 411 H 0.03 0.23 0.10 -0.55 8.40 8.21 1mf0A1 ALA 411 HA 0.05 0.05 0.46 -0.75 4.34 4.15 1mf0A1 ALA 411 HB3 0.15 0.04 -0.07 -0.04 1.41 1.49 1mf0A1 ASP 412 H 0.06 0.18 0.12 -0.55 8.40 8.22 1mf0A1 ASP 412 HA 0.09 0.04 0.62 -0.75 4.63 4.63 1mf0A1 ASP 412 HB2 0.03 0.06 0.10 -0.04 2.71 2.86 1mf0A1 ASP 412 HB3 0.03 0.05 0.17 -0.04 2.70 2.91 1mf0A1 THR 413 H 0.11 0.17 0.25 -0.55 8.28 8.26 1mf0A1 THR 413 HA 0.01 0.28 0.91 -0.75 4.39 4.83 1mf0A1 THR 413 HB -0.05 -0.01 0.08 -0.04 4.32 4.30 1mf0A1 THR 413 HG23 -0.06 0.07 -0.15 -0.04 1.22 1.04 1mf0A1 THR 414 H 0.04 0.07 0.03 -0.55 8.28 7.86 1mf0A1 THR 414 HA 0.02 0.24 0.45 -0.75 4.39 4.36 1mf0A1 THR 414 HB 0.02 0.03 0.11 -0.04 4.32 4.44 1mf0A1 THR 414 HG23 0.02 0.02 0.13 -0.04 1.22 1.35 1mf0A1 GLY 415 H 0.01 -0.01 -0.61 -0.55 8.43 7.28 1mf0A1 GLY 415 HA2 0.01 0.20 0.70 -0.51 4.01 4.42 1mf0A1 GLY 415 HA3 0.01 -0.02 0.18 -0.51 4.01 3.66 1mf0A1 ALA 416 H -0.00 0.31 -0.23 -0.55 8.40 7.93 1mf0A1 ALA 416 HA -0.01 -0.01 0.43 -0.75 4.34 3.99 1mf0A1 ALA 416 HB3 -0.04 0.01 -0.03 -0.04 1.41 1.30 1mf0A1 ARG 417 H 0.01 -0.12 0.26 -0.55 8.46 8.05 1mf0A1 ARG 417 HA 0.03 0.29 0.76 -0.75 4.34 4.67 1mf0A1 ARG 417 HB2 0.02 -0.07 0.04 -0.04 1.90 1.85 1mf0A1 ARG 417 HB3 0.03 0.00 0.15 -0.04 1.80 1.94 1mf0A1 ARG 417 HG2 0.01 0.16 -0.56 -0.04 1.67 1.24 1mf0A1 ARG 417 HG3 0.02 -0.07 -0.04 -0.04 1.67 1.53 1mf0A1 ARG 417 HD2 0.02 -0.06 0.12 -0.04 3.22 3.26 1mf0A1 ARG 417 HD3 0.02 0.13 0.15 -0.04 3.22 3.48 1mf0A1 LYS 418 H 0.02 -0.02 0.26 -0.55 8.42 8.12 1mf0A1 LYS 418 HA 0.08 0.27 0.86 -0.75 4.32 4.78 1mf0A1 LYS 418 HB2 0.04 -0.06 0.08 -0.04 1.87 1.88 1mf0A1 LYS 418 HB3 0.08 -0.02 0.12 -0.04 1.79 1.93 1mf0A1 LYS 418 HG2 0.05 0.14 0.04 -0.04 1.46 1.65 1mf0A1 LYS 418 HG3 0.03 -0.04 -0.32 -0.04 1.46 1.10 1mf0A1 LYS 418 HD2 0.04 -0.01 0.02 -0.04 1.69 1.70 1mf0A1 LYS 418 HD3 0.03 0.06 -0.00 -0.04 1.68 1.73 1mf0A1 LYS 418 HE2 0.02 0.04 -0.01 -0.04 2.99 3.00 1mf0A1 LYS 418 HE3 0.02 0.01 -0.03 -0.04 2.99 2.96 1mf0A1 TRP 419 H 0.26 0.29 0.12 -0.55 7.97 8.09 1mf0A1 TRP 419 HA -0.03 0.05 0.32 -0.75 4.62 4.20 1mf0A1 TRP 419 HB2 -0.02 0.05 0.09 -0.04 3.23 3.30 1mf0A1 TRP 419 HB3 -0.02 0.01 0.11 -0.04 3.23 3.29 1mf0A1 TRP 419 HD1 -0.02 -0.01 -0.15 -0.04 7.22 7.01 1mf0A1 TRP 419 HE1 -0.01 0.01 -0.05 -0.04 10.20 10.10 1mf0A1 TRP 419 HE3 -0.03 -0.04 -0.04 -0.04 7.59 7.44 1mf0A1 TRP 419 HZ2 -0.01 0.00 -0.04 -0.04 7.44 7.35 1mf0A1 TRP 419 HZ3 -0.03 -0.03 -0.02 -0.04 7.13 7.02 1mf0A1 TRP 419 HH2 -0.01 0.10 0.07 -0.04 7.19 7.31 1mf0A1 GLU 420 H 0.10 0.02 -0.33 -0.55 8.60 7.83 1mf0A1 GLU 420 HA -0.20 0.20 0.54 -0.75 4.29 4.08 1mf0A1 GLU 420 HB2 0.02 -0.04 -0.02 -0.04 2.09 2.01 1mf0A1 GLU 420 HB3 -0.01 0.05 0.05 -0.04 1.99 2.04 1mf0A1 GLU 420 HG2 0.07 0.03 -0.00 -0.04 2.34 2.40 1mf0A1 GLU 420 HG3 0.13 0.05 -0.04 -0.04 2.34 2.43 1mf0A1 ASP 421 H -0.05 0.28 -0.21 -0.55 8.40 7.87 1mf0A1 ASP 421 HA -0.06 0.08 0.47 -0.75 4.63 4.37 1mf0A1 ASP 421 HB2 -0.04 0.05 0.21 -0.04 2.71 2.89 1mf0A1 ASP 421 HB3 -0.04 0.03 0.07 -0.04 2.70 2.71 1mf0A1 LEU 422 H -0.22 0.14 -0.27 -0.55 8.37 7.46 1mf0A1 LEU 422 HA -0.23 0.03 0.38 -0.75 4.35 3.77 1mf0A1 LEU 422 HB2 -0.59 0.17 0.03 -0.04 1.64 1.20 1mf0A1 LEU 422 HB3 -0.48 -0.02 -0.08 -0.04 1.64 1.01 1mf0A1 LEU 422 HG -0.17 -0.02 -0.09 -0.04 1.64 1.32 1mf0A1 LEU 422 HD13 -0.23 -0.01 -0.14 -0.04 0.93 0.51 1mf0A1 LEU 422 HD23 -0.21 -0.01 -0.10 -0.04 0.89 0.53 1mf0A1 PRO 423 HA -0.14 0.24 0.58 -0.51 4.44 4.61 1mf0A1 PRO 423 HB2 0.00 0.00 0.03 -0.04 2.28 2.28 1mf0A1 PRO 423 HB3 -0.03 0.11 0.06 -0.04 2.02 2.11 1mf0A1 PRO 423 HG2 -0.21 -0.18 -0.03 -0.04 2.03 1.57 1mf0A1 PRO 423 HG3 0.05 0.09 -0.07 -0.04 2.03 2.07 1mf0A1 PRO 423 HD2 -0.35 -0.02 0.15 -0.04 3.68 3.42 1mf0A1 PRO 423 HD3 -0.13 0.28 0.13 -0.04 3.65 3.89 1mf0A1 PRO 424 HA -0.09 0.07 0.36 -0.51 4.44 4.27 1mf0A1 PRO 424 HB2 0.02 -0.08 0.18 -0.04 2.28 2.36 1mf0A1 PRO 424 HB3 0.00 0.06 0.08 -0.04 2.02 2.13 1mf0A1 PRO 424 HG2 -0.01 0.08 0.11 -0.04 2.03 2.16 1mf0A1 PRO 424 HG3 -0.04 0.07 0.12 -0.04 2.03 2.14 1mf0A1 PRO 424 HD2 -0.02 0.14 0.18 -0.04 3.68 3.94 1mf0A1 PRO 424 HD3 -0.07 0.22 0.23 -0.04 3.65 3.99 1mf0A1 GLN 425 H 0.08 0.22 -0.03 -0.55 8.47 8.19 1mf0A1 GLN 425 HA 0.12 0.03 0.28 -0.75 4.36 4.03 1mf0A1 GLN 425 HB2 0.41 -0.10 -0.30 -0.04 2.15 2.12 1mf0A1 GLN 425 HB3 0.39 0.24 -0.26 -0.04 2.02 2.35 1mf0A1 GLN 425 HG2 0.12 0.29 -0.41 -0.04 2.40 2.36 1mf0A1 GLN 425 HG3 0.11 -0.06 -0.06 -0.04 2.39 2.33 1mf0A1 GLN 425 HE21 0.04 -0.00 0.02 -0.04 6.97 7.00 1mf0A1 GLN 425 HE22 0.05 -0.00 -0.01 -0.04 7.69 7.69 1mf0A1 ALA 426 H -0.20 0.23 -0.59 -0.55 8.40 7.30 1mf0A1 ALA 426 HA -1.32 0.03 0.42 -0.75 4.34 2.72 1mf0A1 ALA 426 HB3 -1.13 0.05 0.02 -0.04 1.41 0.30 1mf0A1 GLN 427 H -0.36 0.59 -0.02 -0.55 8.47 8.14 1mf0A1 GLN 427 HA -0.44 -0.02 0.36 -0.75 4.36 3.51 1mf0A1 GLN 427 HB2 -0.24 0.11 0.07 -0.04 2.15 2.05 1mf0A1 GLN 427 HB3 -0.26 -0.07 -0.03 -0.04 2.02 1.61 1mf0A1 GLN 427 HG2 -1.82 -0.06 -0.02 -0.04 2.40 0.46 1mf0A1 GLN 427 HG3 -0.68 0.10 -0.27 -0.04 2.39 1.50 1mf0A1 GLN 427 HE21 -0.68 -0.13 -0.06 -0.04 6.97 6.06 1mf0A1 GLN 427 HE22 -1.75 0.47 0.08 -0.04 7.69 6.45 1mf0A1 SER 428 H -0.00 0.59 -0.21 -0.55 8.46 8.29 1mf0A1 SER 428 HA 0.15 -0.00 0.38 -0.75 4.49 4.26 1mf0A1 SER 428 HB2 0.09 -0.02 -0.01 -0.04 3.95 3.97 1mf0A1 SER 428 HB3 0.12 0.12 0.03 -0.04 3.93 4.16 1mf0A1 TYR 429 H 0.16 0.48 -0.34 -0.55 8.29 8.05 1mf0A1 TYR 429 HA 0.12 0.00 0.41 -0.75 4.56 4.34 1mf0A1 TYR 429 HB2 0.21 0.16 0.15 -0.04 3.06 3.54 1mf0A1 TYR 429 HB3 -0.04 0.09 0.11 -0.04 2.98 3.09 1mf0A1 TYR 429 HD2 0.11 0.01 -0.08 -0.04 7.15 7.15 1mf0A1 TYR 429 HE2 0.13 -0.01 -0.03 -0.04 6.85 6.90 1mf0A1 VAL 430 H 0.16 0.44 -0.23 -0.55 8.24 8.05 1mf0A1 VAL 430 HA 0.13 0.01 0.43 -0.75 4.13 3.95 1mf0A1 VAL 430 HB 0.43 0.14 0.16 -0.04 2.12 2.80 1mf0A1 VAL 430 HG13 0.19 -0.03 -0.08 -0.04 0.97 1.02 1mf0A1 VAL 430 HG23 0.16 0.06 0.00 -0.04 0.95 1.13 1mf0A1 ARG 431 H 0.24 0.56 -0.03 -0.55 8.46 8.69 1mf0A1 ARG 431 HA 0.08 -0.02 0.32 -0.75 4.34 3.97 1mf0A1 ARG 431 HB2 0.17 0.09 0.12 -0.04 1.90 2.25 1mf0A1 ARG 431 HB3 0.10 -0.03 -0.00 -0.04 1.80 1.82 1mf0A1 ARG 431 HG2 0.17 -0.05 0.03 -0.04 1.67 1.78 1mf0A1 ARG 431 HG3 0.31 0.21 0.02 -0.04 1.67 2.17 1mf0A1 ARG 431 HD2 0.13 -0.01 -0.03 -0.04 3.22 3.27 1mf0A1 ARG 431 HD3 0.08 -0.01 -0.02 -0.04 3.22 3.22 1mf0A1 PHE 432 H 0.24 0.71 -0.21 -0.55 8.34 8.52 1mf0A1 PHE 432 HA 0.10 -0.04 0.30 -0.75 4.62 4.21 1mf0A1 PHE 432 HB2 -0.01 0.14 0.13 -0.04 3.15 3.37 1mf0A1 PHE 432 HB3 -0.21 0.12 0.09 -0.04 3.06 3.02 1mf0A1 PHE 432 HD2 -0.11 0.01 -0.12 -0.04 7.28 7.02 1mf0A1 PHE 432 HE2 -0.14 -0.02 -0.08 -0.04 7.38 7.10 1mf0A1 PHE 432 HZ -0.26 -0.02 -0.05 -0.04 7.32 6.94 1mf0A1 VAL 433 H 0.05 0.49 -0.25 -0.55 8.24 7.98 1mf0A1 VAL 433 HA -0.02 -0.03 0.40 -0.75 4.13 3.73 1mf0A1 VAL 433 HB 0.01 0.14 0.16 -0.04 2.12 2.39 1mf0A1 VAL 433 HG13 0.00 -0.02 -0.19 -0.04 0.97 0.72 1mf0A1 VAL 433 HG23 -0.10 0.01 0.00 -0.04 0.95 0.82 1mf0A1 GLU 434 H 0.03 0.69 0.03 -0.55 8.60 8.80 1mf0A1 GLU 434 HA -0.02 0.17 0.39 -0.75 4.29 4.07 1mf0A1 GLU 434 HB2 0.02 0.07 0.07 -0.04 2.09 2.21 1mf0A1 GLU 434 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 1mf0A1 GLU 434 HG2 -0.05 0.03 -0.10 -0.04 2.34 2.18 1mf0A1 GLU 434 HG3 -0.02 -0.09 0.23 -0.04 2.34 2.42 1mf0A1 ASN 435 H -0.02 0.87 -0.22 -0.55 8.53 8.62 1mf0A1 ASN 435 HA -0.08 0.04 0.50 -0.75 4.76 4.47 1mf0A1 ASN 435 HB2 -0.07 0.08 0.08 -0.04 2.88 2.93 1mf0A1 ASN 435 HB3 -0.16 -0.05 -0.06 -0.04 2.79 2.49 1mf0A1 ASN 435 HD21 0.03 -0.06 -0.11 -0.04 7.03 6.84 1mf0A1 ASN 435 HD22 0.02 -0.01 -0.17 -0.04 7.74 7.55 1mf0A1 HIS 436 H 0.01 0.62 0.11 -0.55 8.41 8.61 1mf0A1 HIS 436 HA -0.16 0.04 0.43 -0.75 4.63 4.19 1mf0A1 HIS 436 HB2 -0.27 0.08 0.12 -0.04 3.26 3.15 1mf0A1 HIS 436 HB3 -0.16 -0.05 0.12 -0.04 3.20 3.07 1mf0A1 HIS 436 HD2 -0.15 -0.01 0.03 -0.04 6.97 6.81 1mf0A1 HIS 436 HE1 -0.74 -0.04 -0.01 -0.04 7.75 6.92 1mf0A1 MET 437 H -0.04 0.25 -0.71 -0.55 8.47 7.42 1mf0A1 MET 437 HA -0.02 0.14 0.86 -0.75 4.52 4.75 1mf0A1 MET 437 HB2 -0.04 0.26 -0.00 -0.04 2.15 2.32 1mf0A1 MET 437 HB3 -0.08 -0.07 -0.02 -0.04 2.03 1.81 1mf0A1 MET 437 HG2 0.02 -0.04 -0.14 -0.04 2.63 2.43 1mf0A1 MET 437 HG3 0.00 -0.00 -0.16 -0.04 2.56 2.36 1mf0A1 MET 437 HE3 0.10 -0.02 -0.09 -0.04 2.10 2.06 1mf0A1 GLY 438 H -0.07 0.35 -0.15 -0.55 8.43 8.01 1mf0A1 GLY 438 HA2 -0.07 0.00 0.35 -0.51 4.01 3.78 1mf0A1 GLY 438 HA3 -0.06 -0.01 0.35 -0.51 4.01 3.78 1mf0A1 VAL 439 H -0.09 0.30 -0.29 -0.55 8.24 7.61 1mf0A1 VAL 439 HA -0.07 0.16 0.71 -0.75 4.13 4.18 1mf0A1 VAL 439 HB -0.11 -0.10 -0.13 -0.04 2.12 1.73 1mf0A1 VAL 439 HG13 0.04 0.03 -0.34 -0.04 0.97 0.66 1mf0A1 VAL 439 HG23 -0.57 0.11 -0.22 -0.04 0.95 0.23 1mf0A1 ALA 440 H -0.02 0.20 0.05 -0.55 8.40 8.09 1mf0A1 ALA 440 HA -0.04 0.07 0.48 -0.75 4.34 4.09 1mf0A1 ALA 440 HB3 -0.05 0.03 0.04 -0.04 1.41 1.39 1mf0A1 VAL 441 H -0.01 0.17 0.15 -0.55 8.24 8.00 1mf0A1 VAL 441 HA 0.01 -0.01 0.72 -0.75 4.13 4.09 1mf0A1 VAL 441 HB 0.01 -0.01 0.11 -0.04 2.12 2.19 1mf0A1 VAL 441 HG13 0.04 -0.04 -0.20 -0.04 0.97 0.73 1mf0A1 VAL 441 HG23 0.02 0.02 -0.02 -0.04 0.95 0.93 1mf0A1 LYS 442 H -0.11 0.52 0.38 -0.55 8.42 8.66 1mf0A1 LYS 442 HA -0.73 0.10 0.71 -0.75 4.32 3.65 1mf0A1 LYS 442 HB2 -0.65 0.02 0.03 -0.04 1.87 1.23 1mf0A1 LYS 442 HB3 -0.95 0.06 0.04 -0.04 1.79 0.91 1mf0A1 LYS 442 HG2 -3.14 -0.00 -0.10 -0.04 1.46 -1.83 1mf0A1 LYS 442 HG3 -2.04 -0.13 0.09 -0.04 1.46 -0.67 1mf0A1 LYS 442 HD2 -0.82 0.05 -0.05 -0.04 1.69 0.83 1mf0A1 LYS 442 HD3 -1.36 0.00 -0.09 -0.04 1.68 0.19 1mf0A1 LYS 442 HE2 -1.03 -0.01 -0.04 -0.04 2.99 1.87 1mf0A1 LYS 442 HE3 -1.00 -0.05 -0.01 -0.04 2.99 1.88 1mf0A1 TRP 443 H 0.04 0.39 0.29 -0.55 7.97 8.14 1mf0A1 TRP 443 HA -0.11 0.28 1.08 -0.75 4.62 5.11 1mf0A1 TRP 443 HB2 -0.17 -0.11 0.07 -0.04 3.23 2.98 1mf0A1 TRP 443 HB3 -0.11 0.04 -0.04 -0.04 3.23 3.09 1mf0A1 TRP 443 HD1 -0.12 0.09 -0.11 -0.04 7.22 7.04 1mf0A1 TRP 443 HE1 -0.15 0.04 -0.09 -0.04 10.20 9.96 1mf0A1 TRP 443 HE3 -0.42 -0.01 -0.18 -0.04 7.59 6.94 1mf0A1 TRP 443 HZ2 -0.20 0.05 -0.09 -0.04 7.44 7.16 1mf0A1 TRP 443 HZ3 -1.99 -0.02 -0.17 -0.04 7.13 4.90 1mf0A1 TRP 443 HH2 -0.58 0.03 -0.10 -0.04 7.19 6.49 1mf0A1 VAL 444 H 0.19 0.73 0.31 -0.55 8.24 8.91 1mf0A1 VAL 444 HA 0.10 0.27 0.99 -0.75 4.13 4.74 1mf0A1 VAL 444 HB 0.10 -0.06 0.03 -0.04 2.12 2.15 1mf0A1 VAL 444 HG13 0.05 0.01 -0.15 -0.04 0.97 0.83 1mf0A1 VAL 444 HG23 0.16 -0.00 -0.25 -0.04 0.95 0.81 1mf0A1 GLY 445 H 0.06 0.78 0.36 -0.55 8.43 9.08 1mf0A1 GLY 445 HA2 0.02 0.30 0.97 -0.51 4.01 4.79 1mf0A1 GLY 445 HA3 0.01 -0.05 0.44 -0.51 4.01 3.90 1mf0A1 VAL 446 H 0.02 0.58 0.10 -0.55 8.24 8.39 1mf0A1 VAL 446 HA 0.04 -0.15 0.93 -0.75 4.13 4.19 1mf0A1 VAL 446 HB 0.02 -0.08 -0.04 -0.04 2.12 1.98 1mf0A1 VAL 446 HG13 0.01 -0.02 -0.32 -0.04 0.97 0.60 1mf0A1 VAL 446 HG23 0.02 0.07 -0.21 -0.04 0.95 0.78 1mf0A1 GLY 447 H 0.00 0.35 0.21 -0.55 8.43 8.45 1mf0A1 GLY 447 HA2 -0.01 0.07 0.47 -0.51 4.01 4.03 1mf0A1 GLY 447 HA3 -0.00 0.07 0.43 -0.51 4.01 3.99 1mf0A1 LYS 448 H -0.02 0.14 0.18 -0.55 8.42 8.16 1mf0A1 LYS 448 HA -0.03 0.12 0.58 -0.75 4.32 4.24 1mf0A1 LYS 448 HB2 -0.01 -0.01 0.05 -0.04 1.87 1.86 1mf0A1 LYS 448 HB3 -0.02 0.02 0.02 -0.04 1.79 1.77 1mf0A1 LYS 448 HG2 -0.06 0.04 -0.03 -0.04 1.46 1.37 1mf0A1 LYS 448 HG3 -0.05 -0.08 0.06 -0.04 1.46 1.35 1mf0A1 LYS 448 HD2 -0.06 0.08 -0.03 -0.04 1.69 1.64 1mf0A1 LYS 448 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 1mf0A1 LYS 448 HE2 -0.01 -0.04 -0.07 -0.04 2.99 2.83 1mf0A1 LYS 448 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.87 1mf0A1 SER 449 H -0.00 -0.04 -0.02 -0.55 8.46 7.85 1mf0A1 SER 449 HA 0.01 0.40 0.65 -0.75 4.49 4.79 1mf0A1 SER 449 HB2 0.01 0.01 0.06 -0.04 3.95 3.98 1mf0A1 SER 449 HB3 0.01 -0.08 0.03 -0.04 3.93 3.85 1mf0A1 ARG 450 H 0.01 0.39 0.37 -0.55 8.46 8.68 1mf0A1 ARG 450 HA -0.03 0.11 0.34 -0.75 4.34 4.00 1mf0A1 ARG 450 HB2 0.00 0.02 0.12 -0.04 1.90 2.00 1mf0A1 ARG 450 HB3 0.01 -0.11 0.14 -0.04 1.80 1.80 1mf0A1 ARG 450 HG2 -0.01 0.03 -0.21 -0.04 1.67 1.43 1mf0A1 ARG 450 HG3 -0.04 -0.00 0.01 -0.04 1.67 1.60 1mf0A1 ARG 450 HD2 0.01 -0.04 -0.03 -0.04 3.22 3.11 1mf0A1 ARG 450 HD3 -0.01 0.08 -0.02 -0.04 3.22 3.22 1mf0A1 GLU 451 H 0.01 -0.03 -0.20 -0.55 8.60 7.82 1mf0A1 GLU 451 HA 0.01 0.20 0.59 -0.75 4.29 4.33 1mf0A1 GLU 451 HB2 0.01 0.07 0.09 -0.04 2.09 2.23 1mf0A1 GLU 451 HB3 0.01 -0.03 0.07 -0.04 1.99 2.00 1mf0A1 GLU 451 HG2 0.01 0.07 -0.23 -0.04 2.34 2.15 1mf0A1 GLU 451 HG3 0.01 0.04 -0.04 -0.04 2.34 2.31 1mf0A1 SER 452 H 0.00 0.13 -0.47 -0.55 8.46 7.57 1mf0A1 SER 452 HA 0.01 0.21 0.42 -0.75 4.49 4.38 1mf0A1 SER 452 HB2 -0.00 0.16 -0.04 -0.04 3.95 4.02 1mf0A1 SER 452 HB3 0.00 -0.04 -0.13 -0.04 3.93 3.72 1mf0A1 MET 453 H 0.02 0.85 -0.04 -0.55 8.47 8.75 1mf0A1 MET 453 HA 0.04 0.03 0.80 -0.75 4.52 4.64 1mf0A1 MET 453 HB2 -0.03 0.06 -0.38 -0.04 2.15 1.76 1mf0A1 MET 453 HB3 0.02 0.08 -0.11 -0.04 2.03 1.98 1mf0A1 MET 453 HG2 -0.09 -0.02 -0.14 -0.04 2.63 2.34 1mf0A1 MET 453 HG3 0.17 0.06 -0.19 -0.04 2.56 2.56 1mf0A1 MET 453 HE3 -0.27 -0.00 -0.15 -0.04 2.10 1.63 1mf0A1 ILE 454 H 0.10 0.71 0.35 -0.55 8.25 8.87 1mf0A1 ILE 454 HA 0.08 0.33 0.89 -0.75 4.18 4.73 1mf0A1 ILE 454 HB 0.10 -0.10 -0.05 -0.04 1.89 1.80 1mf0A1 ILE 454 HG12 0.04 0.07 -0.56 -0.04 1.49 1.00 1mf0A1 ILE 454 HG13 0.04 0.02 -0.34 -0.04 1.21 0.90 1mf0A1 ILE 454 HG23 0.11 0.03 -0.52 -0.04 0.93 0.52 1mf0A1 ILE 454 HD13 0.01 -0.01 -0.34 -0.04 0.88 0.49 1mf0A1 GLN 455 H 0.06 0.30 0.14 -0.55 8.47 8.43 1mf0A1 GLN 455 HA -0.15 0.24 1.16 -0.75 4.36 4.86 1mf0A1 GLN 455 HB2 0.13 0.04 -0.02 -0.04 2.15 2.27 1mf0A1 GLN 455 HB3 -0.03 0.02 0.17 -0.04 2.02 2.14 1mf0A1 GLN 455 HG2 -0.39 -0.23 -0.08 -0.04 2.40 1.66 1mf0A1 GLN 455 HG3 -0.92 0.15 0.11 -0.04 2.39 1.69 1mf0A1 GLN 455 HE21 -0.05 0.06 -0.02 -0.04 6.97 6.92 1mf0A1 GLN 455 HE22 -0.26 -0.13 -0.01 -0.04 7.69 7.24 1mf0A1 LEU 456 H -0.29 0.50 0.10 -0.55 8.37 8.14 1mf0A1 LEU 456 HA -0.05 0.02 0.51 -0.75 4.35 4.07 1mf0A1 LEU 456 HB2 -0.12 0.17 0.08 -0.04 1.64 1.73 1mf0A1 LEU 456 HB3 -0.22 -0.02 0.08 -0.04 1.64 1.43 1mf0A1 LEU 456 HG -0.02 -0.03 -0.29 -0.04 1.64 1.26 1mf0A1 LEU 456 HD13 -0.18 0.04 -0.05 -0.04 0.93 0.70 1mf0A1 LEU 456 HD23 0.25 -0.04 -0.23 -0.04 0.89 0.83 1mf0A1 PHE 457 H -0.52 0.08 -0.19 -0.55 8.34 7.16 1mf0A1 PHE 457 HA -0.16 0.11 0.18 -0.75 4.62 4.00 1mf0A1 PHE 457 HB2 -0.17 -0.00 0.08 -0.04 3.15 3.02 1mf0A1 PHE 457 HB3 -0.22 0.24 -0.17 -0.04 3.06 2.86 1mf0A1 PHE 457 HD2 -0.22 0.02 -0.13 -0.04 7.28 6.91 1mf0A1 PHE 457 HE2 -0.18 -0.00 -0.21 -0.04 7.38 6.95 1mf0A1 PHE 457 HZ -0.14 0.04 -0.07 -0.04 7.32 7.11