============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 3 1.000 0.657 35.041 88.355 -99.200 -91.000 HIS 11 0.900 9.513 29.563 95.349 -99.200 -91.000 PHE 14 1.000 13.493 31.822 90.726 -99.200 -91.000 HIS 33 0.900 11.296 35.623 93.791 -99.200 -91.000 PHE 41 1.000 12.674 40.221 100.031 -99.200 -91.000 HIS 46 0.900 -7.105 36.602 107.188 -99.200 -91.000 PHE 53 1.000 -9.631 43.428 120.144 -99.200 -91.000 PHE 63 1.000 -15.434 47.399 123.513 -99.200 -91.000 PHE 88 1.000 -15.698 48.689 114.009 -99.200 -91.000 TYR 105 0.840 -26.972 43.770 128.558 -99.200 -91.000 TYR 108 0.840 -21.332 38.465 120.704 -99.200 -91.000 PHE 121 1.000 -21.738 37.768 128.358 -99.200 -91.000 TYR 127 0.840 -25.098 39.500 113.013 -99.200 -91.000 PHE 138 1.000 -22.590 47.042 127.974 -99.200 -91.000 HIS 139 0.900 -23.623 44.809 136.036 -99.200 -91.000 TYR 140 0.840 -28.526 49.336 131.825 -99.200 -91.000 TYR 161 0.840 -14.186 54.053 136.543 -99.200 -91.000 TRP 164 1.040 -15.515 42.208 129.605 -99.200 -91.000 TRP6 164 1.020 -14.821 40.503 128.117 -99.200 -91.000 PHE 168 1.000 -8.154 48.091 130.003 -99.200 -91.000 PHE 185 1.000 -7.963 46.127 143.089 -99.200 -91.000 TRP 186 1.040 -10.069 43.933 135.740 -99.200 -91.000 TRP6 186 1.020 -11.771 44.897 134.421 -99.200 -91.000 TYR 190 0.840 -24.093 43.289 141.523 -99.200 -91.000 HIS 196 0.900 -20.229 29.313 144.227 -99.200 -91.000 TYR 204 0.840 -30.188 44.190 140.711 -99.200 -91.000 PHE 221 1.000 -10.750 23.181 145.162 -99.200 -91.000 TYR 229 0.840 -18.015 25.164 150.469 -99.200 -91.000 TRP 234 1.040 -9.999 33.070 154.903 -99.200 -91.000 TRP6 234 1.020 -8.432 31.521 154.055 -99.200 -91.000 TYR 235 0.840 -9.688 26.910 157.037 -99.200 -91.000 PHE 237 1.000 -18.099 32.889 152.360 -99.200 -91.000 HIS 243 0.900 -15.840 26.351 140.804 -99.200 -91.000 HIS 244 0.900 -16.891 30.787 140.419 -99.200 -91.000 TYR 251 0.840 -6.690 47.503 156.067 -99.200 -91.000 PHE 254 1.000 -13.171 46.385 151.898 -99.200 -91.000 PHE 259 1.000 -12.132 57.642 147.275 -99.200 -91.000 TRP 286 1.040 -29.813 49.633 146.303 -99.200 -91.000 TRP6 286 1.020 -28.313 50.006 144.511 -99.200 -91.000 PHE 289 1.000 -24.064 51.528 153.154 -99.200 -91.000 TRP 293 1.040 -12.702 53.153 140.305 -99.200 -91.000 TRP6 293 1.020 -11.497 53.810 142.195 -99.200 -91.000 TRP 303 1.040 -17.730 42.400 159.632 -99.200 -91.000 TRP6 303 1.020 -16.079 44.055 159.992 -99.200 -91.000 TRP 305 1.040 -14.613 34.701 155.647 -99.200 -91.000 TRP6 305 1.020 -13.757 34.646 157.857 -99.200 -91.000 PHE 309 1.000 -5.118 33.589 157.020 -99.200 -91.000 TYR 318 0.840 0.231 20.701 165.917 -99.200 -91.000 TYR 329 0.840 0.981 24.987 168.449 -99.200 -91.000 PHE 337 1.000 -9.392 43.567 154.765 -99.200 -91.000 TRP 341 1.040 -26.943 43.455 159.945 -99.200 -91.000 TRP6 341 1.020 -26.353 41.433 158.879 -99.200 -91.000 HIS 346 0.900 -17.431 51.515 165.801 -99.200 -91.000 TRP 354 1.040 -6.911 43.214 161.111 -99.200 -91.000 TRP6 354 1.020 -5.673 42.211 159.359 -99.200 -91.000 TYR 355 0.840 -12.018 38.185 169.026 -99.200 -91.000 PHE 362 1.000 -19.321 34.420 164.402 -99.200 -91.000 HIS 373 0.900 -6.502 46.118 133.705 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1yu1A1 VAL 5 HA -0.03 -0.09 0.21 -0.75 4.13 3.46 1yu1A1 VAL 5 HB 0.03 -0.02 0.05 -0.04 2.12 2.14 1yu1A1 VAL 5 HG13 -0.16 -0.01 -0.19 -0.04 0.97 0.57 1yu1A1 VAL 5 HG23 -0.02 -0.01 0.02 -0.04 0.95 0.91 1yu1A1 GLN 6 H -0.05 0.13 0.11 -0.55 8.47 8.11 1yu1A1 GLN 6 HA 0.12 0.15 0.86 -0.75 4.36 4.74 1yu1A1 GLN 6 HB2 0.00 -0.04 0.05 -0.04 2.15 2.12 1yu1A1 GLN 6 HB3 0.04 0.03 0.02 -0.04 2.02 2.08 1yu1A1 GLN 6 HG2 0.04 0.04 -0.10 -0.04 2.40 2.34 1yu1A1 GLN 6 HG3 0.02 -0.00 -0.24 -0.04 2.39 2.12 1yu1A1 GLN 6 HE21 0.00 -0.03 -0.02 -0.04 6.97 6.89 1yu1A1 GLN 6 HE22 0.00 0.02 -0.03 -0.04 7.69 7.64 1yu1A1 PHE 7 H 0.29 0.12 0.12 -0.55 8.34 8.32 1yu1A1 PHE 7 HA -0.00 0.12 0.64 -0.75 4.62 4.62 1yu1A1 PHE 7 HB2 0.01 -0.04 0.04 -0.04 3.15 3.11 1yu1A1 PHE 7 HB3 0.00 0.13 0.06 -0.04 3.06 3.21 1yu1A1 PHE 7 HD2 0.00 0.08 0.01 -0.04 7.28 7.33 1yu1A1 PHE 7 HE2 0.00 0.01 -0.03 -0.04 7.38 7.32 1yu1A1 PHE 7 HZ 0.00 -0.01 -0.04 -0.04 7.32 7.24 1yu1A1 ARG 8 H 0.10 0.13 0.19 -0.55 8.46 8.34 1yu1A1 ARG 8 HA 0.02 0.06 0.59 -0.75 4.34 4.26 1yu1A1 ARG 8 HB2 0.00 0.03 0.14 -0.04 1.90 2.03 1yu1A1 ARG 8 HB3 0.06 0.02 0.17 -0.04 1.80 2.00 1yu1A1 ARG 8 HG2 -0.07 -0.06 -0.16 -0.04 1.67 1.34 1yu1A1 ARG 8 HG3 -0.07 0.04 -0.09 -0.04 1.67 1.52 1yu1A1 ARG 8 HD2 -0.16 0.01 -0.04 -0.04 3.22 2.99 1yu1A1 ARG 8 HD3 -0.04 0.02 0.02 -0.04 3.22 3.17 1yu1A1 GLY 9 H 0.01 0.25 0.27 -0.55 8.43 8.41 1yu1A1 GLY 9 HA2 0.12 -0.04 0.78 -0.51 4.01 4.36 1yu1A1 GLY 9 HA3 0.06 0.11 0.37 -0.51 4.01 4.03 1yu1A1 GLY 10 H 0.17 0.51 0.34 -0.55 8.43 8.90 1yu1A1 GLY 10 HA2 0.03 0.10 0.55 -0.51 4.01 4.19 1yu1A1 GLY 10 HA3 0.11 0.06 0.34 -0.51 4.01 4.01 1yu1A1 THR 11 H 0.03 0.15 0.17 -0.55 8.28 8.09 1yu1A1 THR 11 HA -0.03 -0.01 0.58 -0.75 4.39 4.18 1yu1A1 THR 11 HB 0.00 -0.02 0.25 -0.04 4.32 4.51 1yu1A1 THR 11 HG23 0.00 0.06 0.09 -0.04 1.22 1.33 1yu1A1 THR 12 H -0.02 0.17 0.22 -0.55 8.28 8.10 1yu1A1 THR 12 HA -0.03 0.19 0.58 -0.75 4.39 4.38 1yu1A1 THR 12 HB -0.00 -0.02 0.14 -0.04 4.32 4.40 1yu1A1 THR 12 HG23 0.01 0.05 -0.04 -0.04 1.22 1.20 1yu1A1 ALA 13 H 0.02 0.05 -0.01 -0.55 8.40 7.91 1yu1A1 ALA 13 HA 0.04 0.17 0.45 -0.75 4.34 4.25 1yu1A1 ALA 13 HB3 0.02 0.02 0.06 -0.04 1.41 1.48 1yu1A1 GLN 14 H 0.06 -0.05 -0.28 -0.55 8.47 7.66 1yu1A1 GLN 14 HA 0.05 0.13 0.44 -0.75 4.36 4.22 1yu1A1 GLN 14 HB2 0.09 -0.06 0.04 -0.04 2.15 2.18 1yu1A1 GLN 14 HB3 0.01 0.09 -0.04 -0.04 2.02 2.04 1yu1A1 GLN 14 HG2 0.01 0.10 0.03 -0.04 2.40 2.50 1yu1A1 GLN 14 HG3 0.02 -0.06 0.02 -0.04 2.39 2.33 1yu1A1 GLN 14 HE21 0.00 0.06 0.06 -0.04 6.97 7.05 1yu1A1 GLN 14 HE22 0.01 0.04 0.03 -0.04 7.69 7.73 1yu1A1 HIS 15 H 0.22 0.19 -0.52 -0.55 8.41 7.76 1yu1A1 HIS 15 HA 0.16 0.02 0.33 -0.75 4.63 4.39 1yu1A1 HIS 15 HB2 0.05 -0.00 0.19 -0.04 3.26 3.47 1yu1A1 HIS 15 HB3 0.08 0.10 -0.00 -0.04 3.20 3.33 1yu1A1 HIS 15 HD2 0.19 0.13 -0.08 -0.04 6.97 7.16 1yu1A1 HIS 15 HE1 -0.00 -0.15 -0.14 -0.04 7.75 7.41 1yu1A1 ALA 16 H 0.11 0.23 -0.43 -0.55 8.40 7.77 1yu1A1 ALA 16 HA 0.04 0.09 0.27 -0.75 4.34 3.98 1yu1A1 ALA 16 HB3 0.03 0.03 0.07 -0.04 1.41 1.50 1yu1A1 THR 17 H 0.07 0.23 -0.28 -0.55 8.28 7.75 1yu1A1 THR 17 HA 0.02 0.18 0.78 -0.75 4.39 4.62 1yu1A1 THR 17 HB 0.03 -0.02 0.15 -0.04 4.32 4.45 1yu1A1 THR 17 HG23 0.03 0.01 -0.06 -0.04 1.22 1.15 1yu1A1 PHE 18 H 0.12 0.40 -0.43 -0.55 8.34 7.87 1yu1A1 PHE 18 HA -0.03 0.15 0.81 -0.75 4.62 4.79 1yu1A1 PHE 18 HB2 -0.04 0.08 -0.09 -0.04 3.15 3.06 1yu1A1 PHE 18 HB3 -0.11 0.07 0.08 -0.04 3.06 3.06 1yu1A1 PHE 18 HD2 -0.02 0.03 -0.14 -0.04 7.28 7.11 1yu1A1 PHE 18 HE2 0.00 -0.00 -0.16 -0.04 7.38 7.18 1yu1A1 PHE 18 HZ 0.01 -0.04 -0.14 -0.04 7.32 7.12 1yu1A1 THR 19 H -0.40 0.25 0.04 -0.55 8.28 7.62 1yu1A1 THR 19 HA -0.48 0.15 0.79 -0.75 4.39 4.10 1yu1A1 THR 19 HB -0.22 0.01 0.02 -0.04 4.32 4.10 1yu1A1 THR 19 HG23 -0.16 0.06 -0.53 -0.04 1.22 0.54 1yu1A1 GLY 20 H -0.36 0.15 -0.04 -0.55 8.43 7.64 1yu1A1 GLY 20 HA2 -0.28 0.11 0.47 -0.51 4.01 3.79 1yu1A1 GLY 20 HA3 0.25 0.06 0.21 -0.51 4.01 4.02 1yu1A1 ALA 21 H 0.04 0.10 0.08 -0.55 8.40 8.07 1yu1A1 ALA 21 HA 0.01 0.10 0.41 -0.75 4.34 4.10 1yu1A1 ALA 21 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 1yu1A1 ALA 22 H 0.03 0.15 -0.00 -0.55 8.40 8.03 1yu1A1 ALA 22 HA 0.06 -0.01 0.27 -0.75 4.34 3.91 1yu1A1 ALA 22 HB3 0.03 0.06 0.03 -0.04 1.41 1.49 1yu1A1 ARG 23 H 0.07 0.43 0.28 -0.55 8.46 8.68 1yu1A1 ARG 23 HA 0.05 0.03 0.35 -0.75 4.34 4.02 1yu1A1 ARG 23 HB2 0.03 0.16 0.12 -0.04 1.90 2.18 1yu1A1 ARG 23 HB3 0.03 -0.03 0.18 -0.04 1.80 1.94 1yu1A1 ARG 23 HG2 0.02 0.01 0.01 -0.04 1.67 1.67 1yu1A1 ARG 23 HG3 0.02 -0.11 -0.33 -0.04 1.67 1.20 1yu1A1 ARG 23 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.17 1yu1A1 ARG 23 HD3 0.01 -0.02 -0.05 -0.04 3.22 3.12 1yu1A1 GLU 24 H 0.08 0.38 -0.46 -0.55 8.60 8.05 1yu1A1 GLU 24 HA 0.06 0.10 0.64 -0.75 4.29 4.33 1yu1A1 GLU 24 HB2 0.06 -0.03 -0.07 -0.04 2.09 2.01 1yu1A1 GLU 24 HB3 0.05 -0.01 -0.04 -0.04 1.99 1.95 1yu1A1 GLU 24 HG2 -0.01 0.04 -0.32 -0.04 2.34 2.01 1yu1A1 GLU 24 HG3 0.06 0.04 0.00 -0.04 2.34 2.40 1yu1A1 ILE 25 H 0.08 0.20 0.16 -0.55 8.25 8.13 1yu1A1 ILE 25 HA -0.03 0.30 1.00 -0.75 4.18 4.69 1yu1A1 ILE 25 HB 0.07 -0.03 0.15 -0.04 1.89 2.04 1yu1A1 ILE 25 HG12 0.00 -0.01 -0.09 -0.04 1.49 1.36 1yu1A1 ILE 25 HG13 0.03 0.01 -0.44 -0.04 1.21 0.78 1yu1A1 ILE 25 HG23 -0.16 -0.01 -0.14 -0.04 0.93 0.58 1yu1A1 ILE 25 HD13 -0.00 -0.00 -0.03 -0.04 0.88 0.80 1yu1A1 THR 26 H -0.08 0.50 0.27 -0.55 8.28 8.41 1yu1A1 THR 26 HA 0.09 0.32 0.95 -0.75 4.39 5.00 1yu1A1 THR 26 HB 0.11 -0.04 -0.01 -0.04 4.32 4.34 1yu1A1 THR 26 HG23 -0.04 -0.01 -0.23 -0.04 1.22 0.89 1yu1A1 VAL 27 H 0.13 0.39 0.32 -0.55 8.24 8.53 1yu1A1 VAL 27 HA 0.01 0.29 1.05 -0.75 4.13 4.74 1yu1A1 VAL 27 HB 0.06 -0.01 0.04 -0.04 2.12 2.17 1yu1A1 VAL 27 HG13 -0.00 -0.01 -0.28 -0.04 0.97 0.63 1yu1A1 VAL 27 HG23 -0.03 0.00 -0.22 -0.04 0.95 0.66 1yu1A1 ASP 28 H -0.07 0.42 0.14 -0.55 8.40 8.34 1yu1A1 ASP 28 HA -0.39 0.31 0.81 -0.75 4.63 4.60 1yu1A1 ASP 28 HB2 -0.34 0.11 0.05 -0.04 2.71 2.49 1yu1A1 ASP 28 HB3 -0.12 -0.04 0.15 -0.04 2.70 2.64 1yu1A1 THR 29 H -0.08 0.45 0.20 -0.55 8.28 8.31 1yu1A1 THR 29 HA -0.02 0.16 0.35 -0.75 4.39 4.12 1yu1A1 THR 29 HB -0.01 0.06 0.01 -0.04 4.32 4.34 1yu1A1 THR 29 HG23 0.00 0.06 -0.07 -0.04 1.22 1.17 1yu1A1 ASP 30 H -0.06 -0.03 -0.01 -0.55 8.40 7.76 1yu1A1 ASP 30 HA -0.02 0.19 0.71 -0.75 4.63 4.76 1yu1A1 ASP 30 HB2 -0.04 -0.08 0.14 -0.04 2.71 2.68 1yu1A1 ASP 30 HB3 -0.02 0.13 0.03 -0.04 2.70 2.80 1yu1A1 LYS 31 H -0.05 -0.02 -0.22 -0.55 8.42 7.57 1yu1A1 LYS 31 HA -0.01 0.15 0.38 -0.75 4.32 4.09 1yu1A1 LYS 31 HB2 -0.04 -0.02 0.01 -0.04 1.87 1.77 1yu1A1 LYS 31 HB3 -0.01 0.07 0.02 -0.04 1.79 1.83 1yu1A1 LYS 31 HG2 -0.02 0.05 -0.04 -0.04 1.46 1.41 1yu1A1 LYS 31 HG3 -0.04 -0.18 -0.00 -0.04 1.46 1.19 1yu1A1 LYS 31 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 1yu1A1 LYS 31 HD3 -0.00 0.07 -0.01 -0.04 1.68 1.69 1yu1A1 LYS 31 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 1yu1A1 LYS 31 HE3 -0.03 -0.12 0.01 -0.04 2.99 2.81 1yu1A1 ASN 32 H -0.03 0.03 -0.42 -0.55 8.53 7.56 1yu1A1 ASN 32 HA -0.02 0.04 0.28 -0.75 4.76 4.31 1yu1A1 ASN 32 HB2 -0.00 0.11 0.09 -0.04 2.88 3.03 1yu1A1 ASN 32 HB3 -0.00 -0.04 0.20 -0.04 2.79 2.90 1yu1A1 ASN 32 HD21 -0.00 0.01 0.02 -0.04 7.03 7.01 1yu1A1 ASN 32 HD22 -0.00 -0.03 0.02 -0.04 7.74 7.69 1yu1A1 THR 33 H -0.03 0.23 -0.01 -0.55 8.28 7.93 1yu1A1 THR 33 HA -0.01 0.17 0.67 -0.75 4.39 4.47 1yu1A1 THR 33 HB 0.00 0.09 -0.23 -0.04 4.32 4.14 1yu1A1 THR 33 HG23 -0.00 -0.02 -0.14 -0.04 1.22 1.02 1yu1A1 VAL 34 H -0.01 0.16 0.15 -0.55 8.24 7.99 1yu1A1 VAL 34 HA -0.02 0.27 0.86 -0.75 4.13 4.49 1yu1A1 VAL 34 HB -0.02 -0.03 0.12 -0.04 2.12 2.14 1yu1A1 VAL 34 HG13 -0.03 0.00 -0.16 -0.04 0.97 0.75 1yu1A1 VAL 34 HG23 -0.11 0.01 -0.06 -0.04 0.95 0.75 1yu1A1 VAL 35 H 0.06 0.67 0.28 -0.55 8.24 8.70 1yu1A1 VAL 35 HA 0.16 0.18 0.74 -0.75 4.13 4.46 1yu1A1 VAL 35 HB 0.33 -0.10 -0.02 -0.04 2.12 2.29 1yu1A1 VAL 35 HG13 0.45 0.03 -0.23 -0.04 0.97 1.19 1yu1A1 VAL 35 HG23 0.14 -0.01 -0.25 -0.04 0.95 0.79 1yu1A1 VAL 36 H 0.23 0.57 0.14 -0.55 8.24 8.63 1yu1A1 VAL 36 HA 0.14 0.19 0.80 -0.75 4.13 4.51 1yu1A1 VAL 36 HB 0.18 0.06 0.15 -0.04 2.12 2.47 1yu1A1 VAL 36 HG13 0.08 0.00 -0.09 -0.04 0.97 0.92 1yu1A1 VAL 36 HG23 0.06 -0.00 -0.05 -0.04 0.95 0.92 1yu1A1 HIS 37 H 0.22 0.46 0.29 -0.55 8.41 8.83 1yu1A1 HIS 37 HA 0.18 0.11 0.92 -0.75 4.63 5.09 1yu1A1 HIS 37 HB2 0.05 0.16 0.03 -0.04 3.26 3.47 1yu1A1 HIS 37 HB3 -0.01 -0.04 -0.04 -0.04 3.20 3.07 1yu1A1 HIS 37 HD2 0.12 -0.07 -1.13 -0.04 6.97 5.85 1yu1A1 HIS 37 HE1 0.29 0.04 -0.20 -0.04 7.75 7.84 1yu1A1 ASP 38 H 0.12 0.02 0.17 -0.55 8.40 8.17 1yu1A1 ASP 38 HA 0.09 0.12 0.96 -0.75 4.63 5.05 1yu1A1 ASP 38 HB2 0.08 0.06 0.12 -0.04 2.71 2.92 1yu1A1 ASP 38 HB3 0.19 0.08 -0.14 -0.04 2.70 2.79 1yu1A1 GLY 39 H 0.02 0.23 0.02 -0.55 8.43 8.16 1yu1A1 GLY 39 HA2 -0.03 0.19 0.24 -0.51 4.01 3.90 1yu1A1 GLY 39 HA3 0.00 0.08 0.58 -0.51 4.01 4.16 1yu1A1 ALA 40 H -0.02 -0.18 -0.10 -0.55 8.40 7.55 1yu1A1 ALA 40 HA -0.04 0.19 0.74 -0.75 4.34 4.48 1yu1A1 ALA 40 HB3 0.00 0.02 -0.14 -0.04 1.41 1.26 1yu1A1 THR 41 H -0.02 -0.05 0.08 -0.55 8.28 7.73 1yu1A1 THR 41 HA -0.09 0.13 0.54 -0.75 4.39 4.21 1yu1A1 THR 41 HB -0.28 -0.11 0.15 -0.04 4.32 4.04 1yu1A1 THR 41 HG23 -0.33 0.07 -0.07 -0.04 1.22 0.86 1yu1A1 ALA 42 H -0.12 0.18 0.20 -0.55 8.40 8.12 1yu1A1 ALA 42 HA -0.18 0.01 0.29 -0.75 4.34 3.71 1yu1A1 ALA 42 HB3 -0.08 0.04 0.05 -0.04 1.41 1.39 1yu1A1 GLY 43 H -0.18 0.49 0.17 -0.55 8.43 8.36 1yu1A1 GLY 43 HA2 -0.02 0.24 0.37 -0.51 4.01 4.09 1yu1A1 GLY 43 HA3 -0.10 0.10 0.66 -0.51 4.01 4.16 1yu1A1 GLY 44 H -0.44 0.27 -0.38 -0.55 8.43 7.33 1yu1A1 GLY 44 HA2 -0.52 -0.08 0.35 -0.51 4.01 3.26 1yu1A1 GLY 44 HA3 -0.38 -0.02 0.37 -0.51 4.01 3.46 1yu1A1 PHE 45 H 0.24 0.28 0.11 -0.55 8.34 8.41 1yu1A1 PHE 45 HA 0.03 0.21 0.85 -0.75 4.62 4.95 1yu1A1 PHE 45 HB2 0.06 -0.03 0.21 -0.04 3.15 3.34 1yu1A1 PHE 45 HB3 0.03 0.03 0.06 -0.04 3.06 3.13 1yu1A1 PHE 45 HD2 0.02 0.13 -0.04 -0.04 7.28 7.35 1yu1A1 PHE 45 HE2 -0.01 -0.09 -0.05 -0.04 7.38 7.19 1yu1A1 PHE 45 HZ -0.02 -0.05 -0.04 -0.04 7.32 7.17 1yu1A1 PRO 46 HA 0.11 0.08 0.64 -0.51 4.44 4.76 1yu1A1 PRO 46 HB2 0.05 0.02 -0.01 -0.04 2.28 2.30 1yu1A1 PRO 46 HB3 0.05 -0.02 0.07 -0.04 2.02 2.07 1yu1A1 PRO 46 HG2 0.04 0.01 0.03 -0.04 2.03 2.06 1yu1A1 PRO 46 HG3 0.07 0.04 0.00 -0.04 2.03 2.10 1yu1A1 PRO 46 HD2 0.05 0.09 0.16 -0.04 3.68 3.95 1yu1A1 PRO 46 HD3 0.01 0.31 -0.24 -0.04 3.65 3.69 1yu1A1 LEU 47 H 0.06 0.54 0.38 -0.55 8.37 8.80 1yu1A1 LEU 47 HA 0.05 0.15 0.83 -0.75 4.35 4.63 1yu1A1 LEU 47 HB2 0.02 -0.08 0.09 -0.04 1.64 1.63 1yu1A1 LEU 47 HB3 0.02 -0.02 0.13 -0.04 1.64 1.73 1yu1A1 LEU 47 HG 0.05 0.03 -0.04 -0.04 1.64 1.64 1yu1A1 LEU 47 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 1yu1A1 LEU 47 HD23 0.06 0.02 -0.12 -0.04 0.89 0.81 1yu1A1 ALA 48 H 0.03 0.13 0.14 -0.55 8.40 8.16 1yu1A1 ALA 48 HA 0.03 0.07 0.50 -0.75 4.34 4.19 1yu1A1 ALA 48 HB3 0.04 0.03 0.03 -0.04 1.41 1.47 1yu1A1 ARG 49 H 0.03 0.13 0.19 -0.55 8.46 8.26 1yu1A1 ARG 49 HA 0.04 0.13 0.68 -0.75 4.34 4.44 1yu1A1 ARG 49 HB2 0.03 -0.02 0.15 -0.04 1.90 2.02 1yu1A1 ARG 49 HB3 0.04 -0.15 0.09 -0.04 1.80 1.74 1yu1A1 ARG 49 HG2 0.02 0.01 0.05 -0.04 1.67 1.70 1yu1A1 ARG 49 HG3 0.02 0.07 0.08 -0.04 1.67 1.79 1yu1A1 ARG 49 HD2 0.03 -0.09 0.15 -0.04 3.22 3.26 1yu1A1 ARG 49 HD3 0.01 0.38 0.11 -0.04 3.22 3.67 1yu1A1 HIS 50 H 0.13 0.20 0.18 -0.55 8.41 8.37 1yu1A1 HIS 50 HA 0.01 0.16 0.38 -0.75 4.63 4.43 1yu1A1 HIS 50 HB2 0.01 0.05 0.12 -0.04 3.26 3.41 1yu1A1 HIS 50 HB3 0.01 0.00 0.04 -0.04 3.20 3.21 1yu1A1 HIS 50 HD2 0.01 0.09 0.04 -0.04 6.97 7.07 1yu1A1 HIS 50 HE1 0.02 0.03 -0.19 -0.04 7.75 7.57 1yu1A1 ASP 51 H 0.05 0.09 -0.14 -0.55 8.40 7.85 1yu1A1 ASP 51 HA -0.08 0.06 0.42 -0.75 4.63 4.28 1yu1A1 ASP 51 HB2 0.01 -0.01 0.03 -0.04 2.71 2.70 1yu1A1 ASP 51 HB3 -0.01 0.06 0.01 -0.04 2.70 2.73 1yu1A1 LEU 52 H 0.03 0.20 -0.51 -0.55 8.37 7.55 1yu1A1 LEU 52 HA 0.01 0.13 0.50 -0.75 4.35 4.24 1yu1A1 LEU 52 HB2 0.04 0.12 0.04 -0.04 1.64 1.80 1yu1A1 LEU 52 HB3 0.03 0.02 0.11 -0.04 1.64 1.76 1yu1A1 LEU 52 HG 0.02 -0.10 -0.04 -0.04 1.64 1.48 1yu1A1 LEU 52 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 1yu1A1 LEU 52 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 1yu1A1 VAL 53 H 0.04 0.39 -0.33 -0.55 8.24 7.80 1yu1A1 VAL 53 HA 0.05 0.26 0.77 -0.75 4.13 4.45 1yu1A1 VAL 53 HB 0.09 -0.05 0.15 -0.04 2.12 2.27 1yu1A1 VAL 53 HG13 0.08 0.01 -0.16 -0.04 0.97 0.85 1yu1A1 VAL 53 HG23 0.27 -0.01 -0.06 -0.04 0.95 1.12 1yu1A1 LYS 54 H -0.05 0.27 -0.17 -0.55 8.42 7.92 1yu1A1 LYS 54 HA -0.09 -0.05 0.54 -0.75 4.32 3.97 1yu1A1 LYS 54 HB2 -0.04 0.14 0.14 -0.04 1.87 2.07 1yu1A1 LYS 54 HB3 -0.04 -0.03 0.02 -0.04 1.79 1.70 1yu1A1 LYS 54 HG2 -0.22 -0.11 0.03 -0.04 1.46 1.13 1yu1A1 LYS 54 HG3 -0.17 0.07 0.13 -0.04 1.46 1.44 1yu1A1 LYS 54 HD2 -0.05 0.07 0.08 -0.04 1.69 1.75 1yu1A1 LYS 54 HD3 -0.05 -0.02 0.03 -0.04 1.68 1.60 1yu1A1 LYS 54 HE2 -0.08 -0.04 -0.01 -0.04 2.99 2.81 1yu1A1 LYS 54 HE3 -0.12 -0.05 -0.04 -0.04 2.99 2.73 1yu1A1 THR 55 H 0.01 0.06 0.13 -0.55 8.28 7.94 1yu1A1 THR 55 HA 0.05 0.08 0.34 -0.75 4.39 4.10 1yu1A1 THR 55 HB 0.03 0.01 0.18 -0.04 4.32 4.50 1yu1A1 THR 55 HG23 0.02 -0.03 -0.22 -0.04 1.22 0.94 1yu1A1 ALA 56 H 0.07 0.31 -0.34 -0.55 8.40 7.89 1yu1A1 ALA 56 HA 0.11 0.04 0.40 -0.75 4.34 4.13 1yu1A1 ALA 56 HB3 0.09 -0.02 0.06 -0.04 1.41 1.50 1yu1A1 PHE 57 H 0.16 0.15 0.06 -0.55 8.34 8.16 1yu1A1 PHE 57 HA 0.04 0.24 0.84 -0.75 4.62 4.99 1yu1A1 PHE 57 HB2 0.05 0.14 -0.14 -0.04 3.15 3.16 1yu1A1 PHE 57 HB3 0.05 -0.02 0.14 -0.04 3.06 3.19 1yu1A1 PHE 57 HD2 0.05 0.02 0.03 -0.04 7.28 7.34 1yu1A1 PHE 57 HE2 0.01 -0.07 -0.04 -0.04 7.38 7.25 1yu1A1 PHE 57 HZ -0.13 -0.05 0.01 -0.04 7.32 7.10 1yu1A1 ILE 58 H -0.18 0.65 0.32 -0.55 8.25 8.49 1yu1A1 ILE 58 HA -0.12 0.16 0.93 -0.75 4.18 4.39 1yu1A1 ILE 58 HB -0.06 -0.04 0.12 -0.04 1.89 1.87 1yu1A1 ILE 58 HG12 0.00 0.04 -0.06 -0.04 1.49 1.43 1yu1A1 ILE 58 HG13 0.01 -0.16 -0.34 -0.04 1.21 0.67 1yu1A1 ILE 58 HG23 -0.04 0.01 -0.10 -0.04 0.93 0.76 1yu1A1 ILE 58 HD13 0.01 -0.00 -0.08 -0.04 0.88 0.77 1yu1A1 LYS 59 H -0.15 0.22 0.17 -0.55 8.42 8.11 1yu1A1 LYS 59 HA -0.21 0.17 0.82 -0.75 4.32 4.35 1yu1A1 LYS 59 HB2 -0.12 0.02 -0.13 -0.04 1.87 1.60 1yu1A1 LYS 59 HB3 -0.16 -0.03 -0.16 -0.04 1.79 1.41 1yu1A1 LYS 59 HG2 -0.35 -0.01 -0.09 -0.04 1.46 0.97 1yu1A1 LYS 59 HG3 -0.65 -0.05 -0.39 -0.04 1.46 0.32 1yu1A1 LYS 59 HD2 0.02 -0.09 -0.08 -0.04 1.69 1.50 1yu1A1 LYS 59 HD3 -0.04 0.05 -0.07 -0.04 1.68 1.59 1yu1A1 LYS 59 HE2 -0.08 0.11 -0.09 -0.04 2.99 2.89 1yu1A1 LYS 59 HE3 -0.17 -0.11 -0.15 -0.04 2.99 2.52 1yu1A1 ALA 60 H -0.09 0.22 -0.01 -0.55 8.40 7.97 1yu1A1 ALA 60 HA -0.04 0.08 0.50 -0.75 4.34 4.12 1yu1A1 ALA 60 HB3 -0.04 0.00 0.08 -0.04 1.41 1.41 1yu1A1 ASP 61 H -0.08 0.15 -0.22 -0.55 8.40 7.71 1yu1A1 ASP 61 HA -0.02 0.15 0.85 -0.75 4.63 4.85 1yu1A1 ASP 61 HB2 -0.04 0.02 -0.10 -0.04 2.71 2.55 1yu1A1 ASP 61 HB3 -0.07 0.06 0.08 -0.04 2.70 2.73 1yu1A1 LYS 62 H 0.00 0.22 0.01 -0.55 8.42 8.09 1yu1A1 LYS 62 HA 0.02 0.15 0.39 -0.75 4.32 4.13 1yu1A1 LYS 62 HB2 0.05 -0.05 0.05 -0.04 1.87 1.88 1yu1A1 LYS 62 HB3 0.08 0.12 0.08 -0.04 1.79 2.03 1yu1A1 LYS 62 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.39 1yu1A1 LYS 62 HG3 0.00 0.05 -0.01 -0.04 1.46 1.46 1yu1A1 LYS 62 HD2 0.04 -0.05 0.03 -0.04 1.69 1.67 1yu1A1 LYS 62 HD3 0.05 0.13 0.05 -0.04 1.68 1.88 1yu1A1 LYS 62 HE2 -0.01 -0.08 0.10 -0.04 2.99 2.97 1yu1A1 LYS 62 HE3 0.01 0.01 0.05 -0.04 2.99 3.01 1yu1A1 SER 63 H 0.04 -0.03 -0.27 -0.55 8.46 7.66 1yu1A1 SER 63 HA 0.20 0.18 0.62 -0.75 4.49 4.73 1yu1A1 SER 63 HB2 0.09 0.03 0.11 -0.04 3.95 4.13 1yu1A1 SER 63 HB3 0.06 -0.04 0.04 -0.04 3.93 3.96 1yu1A1 ALA 64 H -0.07 0.32 -0.36 -0.55 8.40 7.74 1yu1A1 ALA 64 HA -0.39 0.14 0.75 -0.75 4.34 4.08 1yu1A1 ALA 64 HB3 -0.14 -0.01 -0.01 -0.04 1.41 1.21 1yu1A1 VAL 65 H -0.82 0.09 0.11 -0.55 8.24 7.07 1yu1A1 VAL 65 HA -0.52 0.09 0.46 -0.75 4.13 3.40 1yu1A1 VAL 65 HB -0.24 0.11 0.10 -0.04 2.12 2.05 1yu1A1 VAL 65 HG13 -0.02 0.00 0.03 -0.04 0.97 0.94 1yu1A1 VAL 65 HG23 0.17 -0.05 -0.21 -0.04 0.95 0.83 1yu1A1 ALA 66 H -0.44 0.13 0.09 -0.55 8.40 7.63 1yu1A1 ALA 66 HA -0.33 0.13 0.33 -0.75 4.34 3.72 1yu1A1 ALA 66 HB3 -0.64 0.01 0.08 -0.04 1.41 0.81 1yu1A1 PHE 67 H -0.26 0.12 -0.43 -0.55 8.34 7.21 1yu1A1 PHE 67 HA -0.08 0.25 1.09 -0.75 4.62 5.13 1yu1A1 PHE 67 HB2 -0.04 -0.03 -0.16 -0.04 3.15 2.89 1yu1A1 PHE 67 HB3 -0.07 0.07 -0.06 -0.04 3.06 2.95 1yu1A1 PHE 67 HD2 -0.06 0.04 -0.14 -0.04 7.28 7.08 1yu1A1 PHE 67 HE2 -0.16 0.16 -0.03 -0.04 7.38 7.31 1yu1A1 PHE 67 HZ -0.15 0.04 -0.26 -0.04 7.32 6.91 1yu1A1 THR 68 H 0.06 0.59 0.26 -0.55 8.28 8.64 1yu1A1 THR 68 HA -0.00 0.17 0.86 -0.75 4.39 4.66 1yu1A1 THR 68 HB -0.02 -0.08 0.02 -0.04 4.32 4.20 1yu1A1 THR 68 HG23 -0.03 0.02 -0.20 -0.04 1.22 0.96 1yu1A1 ARG 69 H -0.04 0.18 0.13 -0.55 8.46 8.18 1yu1A1 ARG 69 HA -0.10 0.13 0.87 -0.75 4.34 4.48 1yu1A1 ARG 69 HB2 -0.08 0.01 0.11 -0.04 1.90 1.90 1yu1A1 ARG 69 HB3 -0.08 -0.02 0.14 -0.04 1.80 1.80 1yu1A1 ARG 69 HG2 -0.09 -0.14 -0.00 -0.04 1.67 1.40 1yu1A1 ARG 69 HG3 -0.14 0.07 0.08 -0.04 1.67 1.64 1yu1A1 ARG 69 HD2 -0.08 0.12 -0.01 -0.04 3.22 3.21 1yu1A1 ARG 69 HD3 -0.08 -0.13 -0.07 -0.04 3.22 2.90 1yu1A1 THR 70 H -0.08 0.46 0.17 -0.55 8.28 8.28 1yu1A1 THR 70 HA -0.05 0.19 0.73 -0.75 4.39 4.52 1yu1A1 THR 70 HB -0.04 -0.00 0.04 -0.04 4.32 4.27 1yu1A1 THR 70 HG23 -0.04 0.03 -0.24 -0.04 1.22 0.93 1yu1A1 GLY 71 H -0.07 0.35 0.11 -0.55 8.43 8.28 1yu1A1 GLY 71 HA2 -0.04 0.11 0.38 -0.51 4.01 3.95 1yu1A1 GLY 71 HA3 -0.04 0.05 0.36 -0.51 4.01 3.87 1yu1A1 ASN 72 H -0.02 0.19 0.15 -0.55 8.53 8.30 1yu1A1 ASN 72 HA -0.02 0.10 0.42 -0.75 4.76 4.51 1yu1A1 ASN 72 HB2 0.01 -0.03 0.13 -0.04 2.88 2.95 1yu1A1 ASN 72 HB3 0.02 0.16 0.09 -0.04 2.79 3.02 1yu1A1 ASN 72 HD21 -0.03 -0.02 -0.02 -0.04 7.03 6.92 1yu1A1 ASN 72 HD22 -0.01 0.05 -0.01 -0.04 7.74 7.72 1yu1A1 ALA 73 H -0.01 0.00 -0.31 -0.55 8.40 7.54 1yu1A1 ALA 73 HA 0.04 0.19 0.81 -0.75 4.34 4.63 1yu1A1 ALA 73 HB3 0.01 0.02 -0.01 -0.04 1.41 1.39 1yu1A1 THR 74 H -0.08 0.26 -0.16 -0.55 8.28 7.75 1yu1A1 THR 74 HA -0.11 0.27 0.84 -0.75 4.39 4.62 1yu1A1 THR 74 HB -0.07 0.06 0.00 -0.04 4.32 4.28 1yu1A1 THR 74 HG23 -0.05 -0.00 -0.22 -0.04 1.22 0.90 1yu1A1 ALA 75 H -0.13 0.38 0.23 -0.55 8.40 8.34 1yu1A1 ALA 75 HA -0.10 0.03 0.60 -0.75 4.34 4.11 1yu1A1 ALA 75 HB3 -0.22 0.04 -0.10 -0.04 1.41 1.09 1yu1A1 SER 76 H -0.04 0.65 0.31 -0.55 8.46 8.84 1yu1A1 SER 76 HA -0.06 0.18 0.93 -0.75 4.49 4.78 1yu1A1 SER 76 HB2 -0.03 -0.03 -0.06 -0.04 3.95 3.79 1yu1A1 SER 76 HB3 -0.04 0.06 -0.19 -0.04 3.93 3.72 1yu1A1 ILE 77 H -0.11 0.60 0.25 -0.55 8.25 8.45 1yu1A1 ILE 77 HA 0.17 0.21 0.90 -0.75 4.18 4.70 1yu1A1 ILE 77 HB -0.06 -0.04 0.02 -0.04 1.89 1.77 1yu1A1 ILE 77 HG12 -0.21 0.09 -0.05 -0.04 1.49 1.28 1yu1A1 ILE 77 HG13 -0.03 0.09 0.09 -0.04 1.21 1.32 1yu1A1 ILE 77 HG23 -0.84 0.05 -0.01 -0.04 0.93 0.09 1yu1A1 ILE 77 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.71 1yu1A1 LYS 78 H -0.11 0.56 0.26 -0.55 8.42 8.58 1yu1A1 LYS 78 HA -0.04 -0.07 0.24 -0.75 4.32 3.70 1yu1A1 LYS 78 HB2 -0.12 0.04 0.06 -0.04 1.87 1.81 1yu1A1 LYS 78 HB3 -0.06 0.03 -0.02 -0.04 1.79 1.69 1yu1A1 LYS 78 HG2 -0.05 -0.09 -0.16 -0.04 1.46 1.11 1yu1A1 LYS 78 HG3 -0.08 0.04 -0.31 -0.04 1.46 1.07 1yu1A1 LYS 78 HD2 -0.15 0.10 -0.12 -0.04 1.69 1.49 1yu1A1 LYS 78 HD3 -0.08 -0.07 -0.10 -0.04 1.68 1.39 1yu1A1 LYS 78 HE2 -0.06 -0.11 -0.18 -0.04 2.99 2.60 1yu1A1 LYS 78 HE3 -0.08 0.03 -0.49 -0.04 2.99 2.41 1yu1A1 ALA 79 H -0.01 -0.01 0.02 -0.55 8.40 7.86 1yu1A1 ALA 79 HA 0.05 0.21 0.10 -0.75 4.34 3.95 1yu1A1 ALA 79 HB3 0.01 -0.02 -0.06 -0.04 1.41 1.30 1yu1A1 GLY 80 H 0.04 0.39 0.28 -0.55 8.43 8.59 1yu1A1 GLY 80 HA2 -0.00 -0.01 0.30 -0.51 4.01 3.78 1yu1A1 GLY 80 HA3 -0.02 0.01 0.55 -0.51 4.01 4.05 1yu1A1 THR 81 H 0.06 0.33 -0.11 -0.55 8.28 8.01 1yu1A1 THR 81 HA -0.12 0.23 0.84 -0.75 4.39 4.59 1yu1A1 THR 81 HB 0.15 -0.04 0.14 -0.04 4.32 4.53 1yu1A1 THR 81 HG23 -0.11 -0.01 -0.13 -0.04 1.22 0.94 1yu1A1 ILE 82 H -0.13 0.71 0.38 -0.55 8.25 8.66 1yu1A1 ILE 82 HA 0.01 0.13 0.89 -0.75 4.18 4.45 1yu1A1 ILE 82 HB -0.04 -0.04 0.14 -0.04 1.89 1.91 1yu1A1 ILE 82 HG12 -0.02 -0.05 -0.21 -0.04 1.49 1.17 1yu1A1 ILE 82 HG13 -0.02 0.08 -0.48 -0.04 1.21 0.75 1yu1A1 ILE 82 HG23 0.01 -0.01 -0.21 -0.04 0.93 0.67 1yu1A1 ILE 82 HD13 -0.02 -0.01 -0.10 -0.04 0.88 0.70 1yu1A1 VAL 83 H 0.06 0.58 0.26 -0.55 8.24 8.60 1yu1A1 VAL 83 HA 0.23 0.23 1.04 -0.75 4.13 4.87 1yu1A1 VAL 83 HB 0.18 0.00 0.07 -0.04 2.12 2.33 1yu1A1 VAL 83 HG13 0.24 0.03 -0.11 -0.04 0.97 1.08 1yu1A1 VAL 83 HG23 0.36 -0.01 -0.26 -0.04 0.95 1.00 1yu1A1 GLU 84 H 0.15 0.66 0.23 -0.55 8.60 9.09 1yu1A1 GLU 84 HA 0.11 0.26 0.94 -0.75 4.29 4.85 1yu1A1 GLU 84 HB2 0.12 0.03 0.14 -0.04 2.09 2.34 1yu1A1 GLU 84 HB3 0.08 -0.13 0.20 -0.04 1.99 2.10 1yu1A1 GLU 84 HG2 0.21 0.10 -0.05 -0.04 2.34 2.56 1yu1A1 GLU 84 HG3 0.06 0.15 -0.07 -0.04 2.34 2.44 1yu1A1 VAL 85 H 0.09 0.56 0.18 -0.55 8.24 8.52 1yu1A1 VAL 85 HA 0.05 0.05 0.63 -0.75 4.13 4.11 1yu1A1 VAL 85 HB 0.08 0.15 -0.20 -0.04 2.12 2.11 1yu1A1 VAL 85 HG13 0.07 0.01 -0.32 -0.04 0.97 0.69 1yu1A1 VAL 85 HG23 0.06 0.01 -0.23 -0.04 0.95 0.75 1yu1A1 ASN 86 H 0.03 0.19 0.14 -0.55 8.53 8.35 1yu1A1 ASN 86 HA 0.02 0.03 0.36 -0.75 4.76 4.42 1yu1A1 ASN 86 HB2 0.05 0.25 -0.03 -0.04 2.88 3.11 1yu1A1 ASN 86 HB3 0.05 0.08 0.08 -0.04 2.79 2.96 1yu1A1 ASN 86 HD21 0.03 -0.04 -0.01 -0.04 7.03 6.97 1yu1A1 ASN 86 HD22 0.05 -0.01 0.02 -0.04 7.74 7.76 1yu1A1 GLY 87 H -0.00 0.04 -0.17 -0.55 8.43 7.74 1yu1A1 GLY 87 HA2 -0.04 -0.03 0.24 -0.51 4.01 3.67 1yu1A1 GLY 87 HA3 0.08 0.10 0.49 -0.51 4.01 4.16 1yu1A1 LYS 88 H 0.11 0.36 -0.42 -0.55 8.42 7.91 1yu1A1 LYS 88 HA 0.09 0.14 0.86 -0.75 4.32 4.66 1yu1A1 LYS 88 HB2 0.05 0.05 -0.01 -0.04 1.87 1.92 1yu1A1 LYS 88 HB3 0.04 -0.01 0.10 -0.04 1.79 1.87 1yu1A1 LYS 88 HG2 0.06 -0.05 -0.24 -0.04 1.46 1.19 1yu1A1 LYS 88 HG3 0.06 0.16 -0.03 -0.04 1.46 1.61 1yu1A1 LYS 88 HD2 0.04 0.21 0.11 -0.04 1.69 2.01 1yu1A1 LYS 88 HD3 0.03 -0.05 0.04 -0.04 1.68 1.66 1yu1A1 LYS 88 HE2 0.04 -0.02 0.02 -0.04 2.99 2.99 1yu1A1 LYS 88 HE3 0.04 -0.04 0.04 -0.04 2.99 2.99 1yu1A1 LEU 89 H 0.01 0.17 0.18 -0.55 8.37 8.19 1yu1A1 LEU 89 HA 0.05 0.21 0.87 -0.75 4.35 4.73 1yu1A1 LEU 89 HB2 -0.02 -0.01 -0.00 -0.04 1.64 1.56 1yu1A1 LEU 89 HB3 -0.03 -0.02 0.15 -0.04 1.64 1.69 1yu1A1 LEU 89 HG -0.00 0.03 -0.12 -0.04 1.64 1.51 1yu1A1 LEU 89 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.78 1yu1A1 LEU 89 HD23 -0.05 0.00 -0.39 -0.04 0.89 0.41 1yu1A1 VAL 90 H 0.01 0.72 0.25 -0.55 8.24 8.67 1yu1A1 VAL 90 HA -0.13 0.13 0.91 -0.75 4.13 4.28 1yu1A1 VAL 90 HB 0.01 0.03 0.08 -0.04 2.12 2.20 1yu1A1 VAL 90 HG13 -0.30 -0.00 -0.13 -0.04 0.97 0.50 1yu1A1 VAL 90 HG23 -0.00 0.04 -0.22 -0.04 0.95 0.72 1yu1A1 GLN 91 H -0.24 0.22 0.15 -0.55 8.47 8.05 1yu1A1 GLN 91 HA -0.14 0.39 1.04 -0.75 4.36 4.89 1yu1A1 GLN 91 HB2 -0.04 0.03 -0.09 -0.04 2.15 2.01 1yu1A1 GLN 91 HB3 -0.05 -0.05 -0.09 -0.04 2.02 1.79 1yu1A1 GLN 91 HG2 -0.09 -0.03 -0.06 -0.04 2.40 2.18 1yu1A1 GLN 91 HG3 -0.09 -0.03 -0.16 -0.04 2.39 2.07 1yu1A1 GLN 91 HE21 -0.03 -0.00 -0.08 -0.04 6.97 6.82 1yu1A1 GLN 91 HE22 -0.05 0.01 -0.08 -0.04 7.69 7.53 1yu1A1 PHE 92 H 0.13 0.58 0.19 -0.55 8.34 8.69 1yu1A1 PHE 92 HA 0.00 0.10 0.90 -0.75 4.62 4.87 1yu1A1 PHE 92 HB2 -0.00 0.04 0.09 -0.04 3.15 3.24 1yu1A1 PHE 92 HB3 0.01 0.13 -0.00 -0.04 3.06 3.16 1yu1A1 PHE 92 HD2 0.02 0.05 -0.03 -0.04 7.28 7.28 1yu1A1 PHE 92 HE2 0.05 0.04 -0.12 -0.04 7.38 7.30 1yu1A1 PHE 92 HZ 0.04 0.04 -0.21 -0.04 7.32 7.16 1yu1A1 THR 93 H 0.05 0.21 0.14 -0.55 8.28 8.13 1yu1A1 THR 93 HA 0.03 0.04 0.56 -0.75 4.39 4.26 1yu1A1 THR 93 HB 0.01 0.01 0.09 -0.04 4.32 4.38 1yu1A1 THR 93 HG23 -0.01 0.02 -0.06 -0.04 1.22 1.13 1yu1A1 ALA 94 H 0.09 0.15 -0.03 -0.55 8.40 8.06 1yu1A1 ALA 94 HA 0.03 0.11 0.65 -0.75 4.34 4.37 1yu1A1 ALA 94 HB3 0.03 0.02 0.03 -0.04 1.41 1.44 1yu1A1 ASP 95 H 0.01 0.08 0.11 -0.55 8.40 8.05 1yu1A1 ASP 95 HA -0.01 0.22 0.50 -0.75 4.63 4.59 1yu1A1 ASP 95 HB2 -0.01 -0.03 0.10 -0.04 2.71 2.73 1yu1A1 ASP 95 HB3 -0.02 0.02 -0.10 -0.04 2.70 2.57 1yu1A1 THR 96 H -0.06 0.61 0.29 -0.55 8.28 8.56 1yu1A1 THR 96 HA 0.01 0.08 0.92 -0.75 4.39 4.65 1yu1A1 THR 96 HB -0.19 -0.04 0.12 -0.04 4.32 4.17 1yu1A1 THR 96 HG23 0.13 0.05 -0.00 -0.04 1.22 1.36 1yu1A1 ALA 97 H -0.01 0.12 0.13 -0.55 8.40 8.09 1yu1A1 ALA 97 HA -0.05 0.06 0.47 -0.75 4.34 4.07 1yu1A1 ALA 97 HB3 -0.02 0.01 0.06 -0.04 1.41 1.41 1yu1A1 ILE 98 H -0.07 0.64 0.42 -0.55 8.25 8.69 1yu1A1 ILE 98 HA -0.07 0.17 0.70 -0.75 4.18 4.23 1yu1A1 ILE 98 HB -0.11 -0.01 0.01 -0.04 1.89 1.74 1yu1A1 ILE 98 HG12 -0.14 0.02 -0.19 -0.04 1.49 1.14 1yu1A1 ILE 98 HG13 -0.11 -0.03 -0.14 -0.04 1.21 0.88 1yu1A1 ILE 98 HG23 -0.08 0.00 -0.37 -0.04 0.93 0.44 1yu1A1 ILE 98 HD13 -0.22 -0.02 -0.44 -0.04 0.88 0.16 1yu1A1 THR 99 H -0.02 0.58 0.32 -0.55 8.28 8.61 1yu1A1 THR 99 HA -0.02 -0.00 0.54 -0.75 4.39 4.16 1yu1A1 THR 99 HB -0.00 -0.03 0.26 -0.04 4.32 4.50 1yu1A1 THR 99 HG23 0.01 0.00 -0.09 -0.04 1.22 1.10 1yu1A1 MET 100 H -0.03 0.12 0.26 -0.55 8.47 8.28 1yu1A1 MET 100 HA -0.04 0.09 0.80 -0.75 4.52 4.62 1yu1A1 MET 100 HB2 -0.07 -0.07 0.14 -0.04 2.15 2.11 1yu1A1 MET 100 HB3 -0.11 0.14 0.02 -0.04 2.03 2.04 1yu1A1 MET 100 HG2 -0.07 0.16 0.01 -0.04 2.63 2.69 1yu1A1 MET 100 HG3 -0.10 0.20 0.12 -0.04 2.56 2.74 1yu1A1 MET 100 HE3 -0.23 -0.02 -0.20 -0.04 2.10 1.62 1yu1A1 PRO 101 HA -0.01 0.09 0.66 -0.51 4.44 4.68 1yu1A1 PRO 101 HB2 0.04 -0.01 0.16 -0.04 2.28 2.44 1yu1A1 PRO 101 HB3 0.03 0.02 0.14 -0.04 2.02 2.17 1yu1A1 PRO 101 HG2 -0.01 0.14 -0.18 -0.04 2.03 1.94 1yu1A1 PRO 101 HG3 0.09 -0.04 -0.10 -0.04 2.03 1.94 1yu1A1 PRO 101 HD2 -0.13 0.05 0.03 -0.04 3.68 3.58 1yu1A1 PRO 101 HD3 -0.01 0.27 0.11 -0.04 3.65 3.98 1yu1A1 ALA 102 H 0.00 0.06 0.11 -0.55 8.40 8.03 1yu1A1 ALA 102 HA -0.05 0.06 0.56 -0.75 4.34 4.15 1yu1A1 ALA 102 HB3 0.01 0.01 0.06 -0.04 1.41 1.45 1yu1A1 LEU 103 H -0.15 0.15 0.14 -0.55 8.37 7.96 1yu1A1 LEU 103 HA -0.25 0.15 0.78 -0.75 4.35 4.27 1yu1A1 LEU 103 HB2 -0.75 -0.03 0.02 -0.04 1.64 0.85 1yu1A1 LEU 103 HB3 -1.64 -0.01 -0.10 -0.04 1.64 -0.15 1yu1A1 LEU 103 HG -0.34 0.16 -0.15 -0.04 1.64 1.27 1yu1A1 LEU 103 HD13 -0.34 -0.01 -0.05 -0.04 0.93 0.49 1yu1A1 LEU 103 HD23 -0.80 0.01 -0.22 -0.04 0.89 -0.16 1yu1A1 THR 104 H 0.22 0.25 0.04 -0.55 8.28 8.25 1yu1A1 THR 104 HA 0.17 0.10 0.79 -0.75 4.39 4.70 1yu1A1 THR 104 HB 0.20 0.01 0.00 -0.04 4.32 4.49 1yu1A1 THR 104 HG23 0.13 0.05 -0.11 -0.04 1.22 1.25 1yu1A1 ALA 105 H 0.22 0.09 0.07 -0.55 8.40 8.24 1yu1A1 ALA 105 HA 0.13 0.08 0.11 -0.75 4.34 3.90 1yu1A1 ALA 105 HB3 -0.04 -0.01 0.06 -0.04 1.41 1.37 1yu1A1 GLY 106 H -0.06 0.27 0.13 -0.55 8.43 8.22 1yu1A1 GLY 106 HA2 0.29 -0.06 0.36 -0.51 4.01 4.09 1yu1A1 GLY 106 HA3 -0.15 -0.01 0.46 -0.51 4.01 3.80 1yu1A1 THR 107 H 0.45 0.36 0.17 -0.55 8.28 8.71 1yu1A1 THR 107 HA 0.10 0.14 0.93 -0.75 4.39 4.81 1yu1A1 THR 107 HB 0.33 -0.04 0.07 -0.04 4.32 4.65 1yu1A1 THR 107 HG23 -0.27 0.03 0.03 -0.04 1.22 0.96 1yu1A1 ASP 108 H -0.05 0.19 0.21 -0.55 8.40 8.21 1yu1A1 ASP 108 HA 0.23 0.16 1.06 -0.75 4.63 5.32 1yu1A1 ASP 108 HB2 -0.04 0.03 0.11 -0.04 2.71 2.77 1yu1A1 ASP 108 HB3 0.22 0.05 0.07 -0.04 2.70 3.00 1yu1A1 TYR 109 H 0.00 0.63 0.39 -0.55 8.29 8.76 1yu1A1 TYR 109 HA -0.15 0.24 0.80 -0.75 4.56 4.69 1yu1A1 TYR 109 HB2 -1.60 -0.04 -0.05 -0.04 3.06 1.34 1yu1A1 TYR 109 HB3 -0.52 -0.04 -0.10 -0.04 2.98 2.28 1yu1A1 TYR 109 HD2 -0.08 -0.06 -0.33 -0.04 7.15 6.63 1yu1A1 TYR 109 HE2 0.07 0.03 -0.08 -0.04 6.85 6.83 1yu1A1 ALA 110 H -0.51 0.67 0.27 -0.55 8.40 8.28 1yu1A1 ALA 110 HA -0.50 0.23 1.08 -0.75 4.34 4.40 1yu1A1 ALA 110 HB3 -1.17 0.03 -0.00 -0.04 1.41 0.23 1yu1A1 ILE 111 H -0.52 0.68 0.09 -0.55 8.25 7.94 1yu1A1 ILE 111 HA -0.21 0.25 0.89 -0.75 4.18 4.35 1yu1A1 ILE 111 HB -0.58 -0.08 -0.17 -0.04 1.89 1.02 1yu1A1 ILE 111 HG12 -0.25 0.02 -0.26 -0.04 1.49 0.96 1yu1A1 ILE 111 HG13 -0.22 -0.08 -0.41 -0.04 1.21 0.46 1yu1A1 ILE 111 HG23 -0.37 -0.00 -0.30 -0.04 0.93 0.21 1yu1A1 ILE 111 HD13 -0.87 0.00 -0.24 -0.04 0.88 -0.27 1yu1A1 TYR 112 H 0.02 0.67 0.31 -0.55 8.29 8.73 1yu1A1 TYR 112 HA -0.09 0.29 0.86 -0.75 4.56 4.87 1yu1A1 TYR 112 HB2 -0.15 -0.01 -0.05 -0.04 3.06 2.81 1yu1A1 TYR 112 HB3 -0.12 -0.05 -0.23 -0.04 2.98 2.53 1yu1A1 TYR 112 HD2 -0.10 0.02 -0.47 -0.04 7.15 6.56 1yu1A1 TYR 112 HE2 -0.11 0.14 -0.28 -0.04 6.85 6.56 1yu1A1 VAL 113 H 0.09 0.65 0.29 -0.55 8.24 8.72 1yu1A1 VAL 113 HA 0.12 0.22 0.84 -0.75 4.13 4.56 1yu1A1 VAL 113 HB 0.17 0.01 0.11 -0.04 2.12 2.37 1yu1A1 VAL 113 HG13 0.25 0.03 -0.17 -0.04 0.97 1.04 1yu1A1 VAL 113 HG23 0.24 -0.01 -0.11 -0.04 0.95 1.03 1yu1A1 CYS 114 H 0.04 0.60 0.15 -0.55 8.50 8.74 1yu1A1 CYS 114 HA 0.00 0.31 0.99 -0.75 4.58 5.14 1yu1A1 CYS 114 HB2 -0.15 -0.06 -0.01 -0.04 2.97 2.70 1yu1A1 CYS 114 HB3 -0.04 -0.08 0.06 -0.04 2.97 2.87 1yu1A1 ASP 115 H 0.08 0.49 0.28 -0.55 8.40 8.70 1yu1A1 ASP 115 HA 0.05 0.15 0.29 -0.75 4.63 4.37 1yu1A1 ASP 115 HB2 0.05 0.06 0.13 -0.04 2.71 2.91 1yu1A1 ASP 115 HB3 0.06 0.06 0.03 -0.04 2.70 2.81 1yu1A1 ASP 116 H 0.11 0.01 -0.29 -0.55 8.40 7.69 1yu1A1 ASP 116 HA 0.05 0.22 0.80 -0.75 4.63 4.95 1yu1A1 ASP 116 HB2 0.07 0.03 0.15 -0.04 2.71 2.93 1yu1A1 ASP 116 HB3 0.11 -0.00 0.06 -0.04 2.70 2.82 1yu1A1 GLY 117 H 0.04 0.46 -0.25 -0.55 8.43 8.13 1yu1A1 GLY 117 HA2 -0.04 0.06 0.29 -0.51 4.01 3.81 1yu1A1 GLY 117 HA3 -0.01 0.08 0.44 -0.51 4.01 4.01 1yu1A1 THR 118 H 0.07 -0.08 -0.30 -0.55 8.28 7.42 1yu1A1 THR 118 HA 0.12 0.19 0.64 -0.75 4.39 4.59 1yu1A1 THR 118 HB 0.05 -0.00 0.06 -0.04 4.32 4.39 1yu1A1 THR 118 HG23 0.10 0.02 -0.09 -0.04 1.22 1.21 1yu1A1 VAL 119 H 0.06 0.25 0.20 -0.55 8.24 8.20 1yu1A1 VAL 119 HA 0.03 0.27 0.82 -0.75 4.13 4.50 1yu1A1 VAL 119 HB 0.08 0.07 -0.08 -0.04 2.12 2.15 1yu1A1 VAL 119 HG13 -0.07 -0.03 0.05 -0.04 0.97 0.88 1yu1A1 VAL 119 HG23 -0.10 0.02 -0.06 -0.04 0.95 0.76 1yu1A1 ARG 120 H -0.01 0.51 0.29 -0.55 8.46 8.70 1yu1A1 ARG 120 HA -0.02 0.12 0.82 -0.75 4.34 4.50 1yu1A1 ARG 120 HB2 -0.00 0.16 0.08 -0.04 1.90 2.09 1yu1A1 ARG 120 HB3 -0.02 -0.04 -0.23 -0.04 1.80 1.47 1yu1A1 ARG 120 HG2 -0.11 -0.09 -0.15 -0.04 1.67 1.28 1yu1A1 ARG 120 HG3 -0.03 0.03 -0.29 -0.04 1.67 1.34 1yu1A1 ARG 120 HD2 -0.31 -0.06 -0.20 -0.04 3.22 2.62 1yu1A1 ARG 120 HD3 -0.05 0.00 -0.16 -0.04 3.22 2.97 1yu1A1 ALA 121 H 0.00 0.70 0.30 -0.55 8.40 8.85 1yu1A1 ALA 121 HA -0.01 0.34 0.98 -0.75 4.34 4.89 1yu1A1 ALA 121 HB3 0.06 -0.03 -0.05 -0.04 1.41 1.35 1yu1A1 ASP 122 H 0.03 0.46 0.28 -0.55 8.40 8.62 1yu1A1 ASP 122 HA 0.13 0.05 0.65 -0.75 4.63 4.71 1yu1A1 ASP 122 HB2 0.06 0.08 -0.39 -0.04 2.71 2.42 1yu1A1 ASP 122 HB3 0.11 0.16 -0.07 -0.04 2.70 2.87 1yu1A1 SER 123 H 0.12 0.14 0.18 -0.55 8.46 8.35 1yu1A1 SER 123 HA -0.21 0.24 0.63 -0.75 4.49 4.40 1yu1A1 SER 123 HB2 -0.08 0.05 0.14 -0.04 3.95 4.03 1yu1A1 SER 123 HB3 -0.08 0.03 0.13 -0.04 3.93 3.97 1yu1A1 ASN 124 H 0.05 -0.02 -0.24 -0.55 8.53 7.78 1yu1A1 ASN 124 HA 0.16 0.11 0.68 -0.75 4.76 4.95 1yu1A1 ASN 124 HB2 0.05 -0.05 0.08 -0.04 2.88 2.92 1yu1A1 ASN 124 HB3 0.03 0.17 0.05 -0.04 2.79 3.00 1yu1A1 ASN 124 HD21 0.04 -0.00 0.02 -0.04 7.03 7.05 1yu1A1 ASN 124 HD22 0.04 -0.01 0.02 -0.04 7.74 7.75 1yu1A1 PHE 125 H 0.36 0.17 0.12 -0.55 8.34 8.44 1yu1A1 PHE 125 HA 0.16 0.19 0.53 -0.75 4.62 4.74 1yu1A1 PHE 125 HB2 0.04 -0.01 0.08 -0.04 3.15 3.22 1yu1A1 PHE 125 HB3 0.06 0.04 0.13 -0.04 3.06 3.24 1yu1A1 PHE 125 HD2 0.05 0.07 -0.07 -0.04 7.28 7.28 1yu1A1 PHE 125 HE2 0.07 0.12 -0.20 -0.04 7.38 7.33 1yu1A1 PHE 125 HZ 0.01 -0.05 -0.43 -0.04 7.32 6.81 1yu1A1 SER 126 H 0.18 -0.06 -0.27 -0.55 8.46 7.76 1yu1A1 SER 126 HA 0.16 0.25 0.88 -0.75 4.49 5.03 1yu1A1 SER 126 HB2 0.08 -0.06 0.07 -0.04 3.95 3.99 1yu1A1 SER 126 HB3 0.07 -0.01 -0.01 -0.04 3.93 3.94 1yu1A1 ALA 127 H 0.04 0.09 -0.05 -0.55 8.40 7.93 1yu1A1 ALA 127 HA -0.41 0.20 0.32 -0.75 4.34 3.70 1yu1A1 ALA 127 HB3 -0.05 0.01 -0.34 -0.04 1.41 0.98 1yu1A1 PRO 128 HA -0.14 0.02 0.49 -0.51 4.44 4.31 1yu1A1 PRO 128 HB2 -0.13 0.11 -0.13 -0.04 2.28 2.09 1yu1A1 PRO 128 HB3 -0.28 0.08 -0.13 -0.04 2.02 1.65 1yu1A1 PRO 128 HG2 -0.35 -0.00 -0.21 -0.04 2.03 1.43 1yu1A1 PRO 128 HG3 -0.69 0.04 -0.17 -0.04 2.03 1.17 1yu1A1 PRO 128 HD2 -0.46 0.08 -0.09 -0.04 3.68 3.16 1yu1A1 PRO 128 HD3 -2.06 0.19 -0.12 -0.04 3.65 1.62 1yu1A1 THR 129 H -0.00 0.09 0.12 -0.55 8.28 7.94 1yu1A1 THR 129 HA 0.01 0.03 0.46 -0.75 4.39 4.14 1yu1A1 THR 129 HB 0.02 -0.01 0.15 -0.04 4.32 4.44 1yu1A1 THR 129 HG23 0.04 0.01 0.05 -0.04 1.22 1.27 1yu1A1 GLY 130 H -0.01 0.13 0.18 -0.55 8.43 8.19 1yu1A1 GLY 130 HA2 -0.10 -0.02 0.32 -0.51 4.01 3.70 1yu1A1 GLY 130 HA3 -0.10 0.11 0.52 -0.51 4.01 4.03 1yu1A1 TYR 131 H 0.08 0.44 -0.16 -0.55 8.29 8.10 1yu1A1 TYR 131 HA -0.04 0.11 0.71 -0.75 4.56 4.58 1yu1A1 TYR 131 HB2 -0.14 0.10 -0.19 -0.04 3.06 2.79 1yu1A1 TYR 131 HB3 -0.08 -0.08 0.01 -0.04 2.98 2.79 1yu1A1 TYR 131 HD2 -0.04 0.04 -0.33 -0.04 7.15 6.78 1yu1A1 TYR 131 HE2 -0.01 -0.04 -0.10 -0.04 6.85 6.66 1yu1A1 THR 132 H 0.11 0.05 0.15 -0.55 8.28 8.04 1yu1A1 THR 132 HA 0.01 0.29 0.84 -0.75 4.39 4.78 1yu1A1 THR 132 HB 0.02 -0.00 0.20 -0.04 4.32 4.49 1yu1A1 THR 132 HG23 0.00 0.04 -0.10 -0.04 1.22 1.12 1yu1A1 SER 133 H 0.02 0.16 0.13 -0.55 8.46 8.23 1yu1A1 SER 133 HA 0.05 0.32 0.59 -0.75 4.49 4.69 1yu1A1 SER 133 HB2 0.06 0.10 0.18 -0.04 3.95 4.26 1yu1A1 SER 133 HB3 0.05 0.00 0.05 -0.04 3.93 3.99 1yu1A1 THR 134 H 0.04 -0.11 -0.26 -0.55 8.28 7.39 1yu1A1 THR 134 HA 0.04 0.21 0.75 -0.75 4.39 4.63 1yu1A1 THR 134 HB 0.03 -0.10 0.09 -0.04 4.32 4.30 1yu1A1 THR 134 HG23 0.03 0.02 -0.05 -0.04 1.22 1.18 1yu1A1 THR 135 H 0.06 -0.06 -0.04 -0.55 8.28 7.69 1yu1A1 THR 135 HA 0.07 0.16 0.52 -0.75 4.39 4.39 1yu1A1 THR 135 HB 0.17 -0.05 0.12 -0.04 4.32 4.52 1yu1A1 THR 135 HG23 0.05 0.01 0.02 -0.04 1.22 1.27 1yu1A1 ALA 136 H 0.05 0.33 -0.25 -0.55 8.40 7.99 1yu1A1 ALA 136 HA -0.01 0.11 0.81 -0.75 4.34 4.50 1yu1A1 ALA 136 HB3 -0.18 0.01 -0.10 -0.04 1.41 1.10 1yu1A1 ARG 137 H 0.11 0.57 0.15 -0.55 8.46 8.74 1yu1A1 ARG 137 HA 0.12 0.21 0.98 -0.75 4.34 4.89 1yu1A1 ARG 137 HB2 0.07 -0.05 0.00 -0.04 1.90 1.88 1yu1A1 ARG 137 HB3 0.08 0.04 0.18 -0.04 1.80 2.05 1yu1A1 ARG 137 HG2 -0.01 0.06 -0.39 -0.04 1.67 1.29 1yu1A1 ARG 137 HG3 0.03 -0.01 0.06 -0.04 1.67 1.70 1yu1A1 ARG 137 HD2 0.05 0.05 0.13 -0.04 3.22 3.41 1yu1A1 ARG 137 HD3 0.06 -0.05 -0.01 -0.04 3.22 3.18 1yu1A1 LYS 138 H 0.09 0.22 0.11 -0.55 8.42 8.29 1yu1A1 LYS 138 HA -0.61 0.11 0.61 -0.75 4.32 3.67 1yu1A1 LYS 138 HB2 -0.26 0.03 0.02 -0.04 1.87 1.62 1yu1A1 LYS 138 HB3 -0.04 0.01 0.18 -0.04 1.79 1.89 1yu1A1 LYS 138 HG2 -0.06 -0.04 -0.15 -0.04 1.46 1.17 1yu1A1 LYS 138 HG3 -0.52 0.02 0.05 -0.04 1.46 0.98 1yu1A1 LYS 138 HD2 0.20 -0.04 -0.01 -0.04 1.69 1.81 1yu1A1 LYS 138 HD3 -0.13 -0.00 -0.03 -0.04 1.68 1.47 1yu1A1 LYS 138 HE2 0.11 0.01 0.06 -0.04 2.99 3.13 1yu1A1 LYS 138 HE3 0.18 -0.04 0.01 -0.04 2.99 3.10 1yu1A1 VAL 139 H -0.29 0.62 0.47 -0.55 8.24 8.49 1yu1A1 VAL 139 HA -0.30 0.20 0.97 -0.75 4.13 4.25 1yu1A1 VAL 139 HB -0.18 -0.09 0.12 -0.04 2.12 1.93 1yu1A1 VAL 139 HG13 -0.07 0.05 -0.12 -0.04 0.97 0.79 1yu1A1 VAL 139 HG23 0.09 0.00 -0.16 -0.04 0.95 0.84 1yu1A1 GLY 140 H -0.51 0.30 0.26 -0.55 8.43 7.92 1yu1A1 GLY 140 HA2 -2.16 0.03 0.27 -0.51 4.01 1.64 1yu1A1 GLY 140 HA3 -0.51 0.17 0.65 -0.51 4.01 3.81 1yu1A1 GLY 141 H -1.05 0.62 0.41 -0.55 8.43 7.87 1yu1A1 GLY 141 HA2 -0.35 -0.08 0.43 -0.51 4.01 3.50 1yu1A1 GLY 141 HA3 -0.12 0.17 0.60 -0.51 4.01 4.15 1yu1A1 PHE 142 H -0.12 0.56 0.36 -0.55 8.34 8.59 1yu1A1 PHE 142 HA 0.38 0.35 0.46 -0.75 4.62 5.06 1yu1A1 PHE 142 HB2 0.20 0.02 -0.02 -0.04 3.15 3.31 1yu1A1 PHE 142 HB3 0.10 0.08 -0.17 -0.04 3.06 3.03 1yu1A1 PHE 142 HD2 0.05 0.02 -0.53 -0.04 7.28 6.78 1yu1A1 PHE 142 HE2 -0.12 -0.00 -0.25 -0.04 7.38 6.97 1yu1A1 PHE 142 HZ -0.29 0.03 -0.20 -0.04 7.32 6.81 1yu1A1 HIS 143 H 0.58 0.22 0.17 -0.55 8.41 8.83 1yu1A1 HIS 143 HA 0.33 0.21 1.04 -0.75 4.63 5.45 1yu1A1 HIS 143 HB2 0.28 -0.02 0.06 -0.04 3.26 3.54 1yu1A1 HIS 143 HB3 0.29 -0.01 0.13 -0.04 3.20 3.56 1yu1A1 HIS 143 HD2 0.14 0.04 -0.11 -0.04 6.97 7.00 1yu1A1 HIS 143 HE1 0.20 -0.20 -0.20 -0.04 7.75 7.50 1yu1A1 TYR 144 H 0.73 0.76 0.23 -0.55 8.29 9.47 1yu1A1 TYR 144 HA 0.14 0.08 0.66 -0.75 4.56 4.69 1yu1A1 TYR 144 HB2 0.42 -0.01 -0.04 -0.04 3.06 3.39 1yu1A1 TYR 144 HB3 0.38 0.07 0.16 -0.04 2.98 3.55 1yu1A1 TYR 144 HD2 0.10 0.05 -0.49 -0.04 7.15 6.77 1yu1A1 TYR 144 HE2 0.01 0.05 -0.25 -0.04 6.85 6.62 1yu1A1 ALA 145 H -0.29 0.60 0.20 -0.55 8.40 8.37 1yu1A1 ALA 145 HA -0.46 0.07 0.44 -0.75 4.34 3.64 1yu1A1 ALA 145 HB3 -0.14 0.05 0.12 -0.04 1.41 1.40 1yu1A1 PRO 146 HA -0.15 0.05 0.62 -0.51 4.44 4.45 1yu1A1 PRO 146 HB2 -0.05 0.05 0.02 -0.04 2.28 2.25 1yu1A1 PRO 146 HB3 -0.74 0.03 0.08 -0.04 2.02 1.36 1yu1A1 PRO 146 HG2 0.04 0.06 -0.02 -0.04 2.03 2.07 1yu1A1 PRO 146 HG3 -0.32 0.03 0.06 -0.04 2.03 1.76 1yu1A1 PRO 146 HD2 0.03 0.15 0.21 -0.04 3.68 4.04 1yu1A1 PRO 146 HD3 -0.14 0.10 0.19 -0.04 3.65 3.76 1yu1A1 GLY 147 H 0.08 0.20 -0.30 -0.55 8.43 7.86 1yu1A1 GLY 147 HA2 0.05 -0.01 0.06 -0.51 4.01 3.61 1yu1A1 GLY 147 HA3 0.21 0.23 0.17 -0.51 4.01 4.11 1yu1A1 SER 148 H -0.04 -0.10 -0.01 -0.55 8.46 7.77 1yu1A1 SER 148 HA -0.03 0.10 0.35 -0.75 4.49 4.16 1yu1A1 SER 148 HB2 -0.05 0.08 0.12 -0.04 3.95 4.05 1yu1A1 SER 148 HB3 -0.05 -0.05 0.10 -0.04 3.93 3.89 1yu1A1 ASN 149 H -0.01 0.06 0.12 -0.55 8.53 8.15 1yu1A1 ASN 149 HA 0.01 0.09 0.53 -0.75 4.76 4.64 1yu1A1 ASN 149 HB2 0.01 -0.07 0.02 -0.04 2.88 2.80 1yu1A1 ASN 149 HB3 0.01 0.36 0.01 -0.04 2.79 3.14 1yu1A1 ASN 149 HD21 0.18 -0.21 0.00 -0.04 7.03 6.96 1yu1A1 ASN 149 HD22 0.13 0.08 0.05 -0.04 7.74 7.96 1yu1A1 ALA 150 H -0.09 0.36 -0.13 -0.55 8.40 7.99 1yu1A1 ALA 150 HA -0.11 0.16 0.23 -0.75 4.34 3.87 1yu1A1 ALA 150 HB3 -0.16 -0.02 -0.23 -0.04 1.41 0.96 1yu1A1 ALA 151 H -0.10 0.19 0.16 -0.55 8.40 8.10 1yu1A1 ALA 151 HA -0.08 0.12 0.54 -0.75 4.34 4.17 1yu1A1 ALA 151 HB3 -0.07 -0.01 0.08 -0.04 1.41 1.37 1yu1A1 ALA 152 H -0.13 0.05 -0.22 -0.55 8.40 7.56 1yu1A1 ALA 152 HA -0.08 0.19 0.63 -0.75 4.34 4.32 1yu1A1 ALA 152 HB3 -0.08 0.01 0.02 -0.04 1.41 1.32 1yu1A1 GLN 153 H -0.14 0.14 0.04 -0.55 8.47 7.97 1yu1A1 GLN 153 HA -0.32 0.27 0.84 -0.75 4.36 4.39 1yu1A1 GLN 153 HB2 -0.15 -0.03 0.16 -0.04 2.15 2.08 1yu1A1 GLN 153 HB3 -0.22 0.06 0.24 -0.04 2.02 2.05 1yu1A1 GLN 153 HG2 -0.86 -0.03 0.03 -0.04 2.40 1.51 1yu1A1 GLN 153 HG3 -0.26 -0.04 -0.25 -0.04 2.39 1.80 1yu1A1 GLN 153 HE21 0.12 -0.01 0.00 -0.04 6.97 7.04 1yu1A1 GLN 153 HE22 0.05 0.00 -0.03 -0.04 7.69 7.68 1yu1A1 ALA 154 H -0.16 0.12 -0.19 -0.55 8.40 7.63 1yu1A1 ALA 154 HA -0.15 0.14 0.72 -0.75 4.34 4.30 1yu1A1 ALA 154 HB3 -0.12 -0.02 0.02 -0.04 1.41 1.26 1yu1A1 GLY 155 H -0.17 0.48 0.01 -0.55 8.43 8.21 1yu1A1 GLY 155 HA2 -0.13 0.36 0.28 -0.51 4.01 4.00 1yu1A1 GLY 155 HA3 -0.20 0.06 0.48 -0.51 4.01 3.84 1yu1A1 GLY 156 H -0.19 0.43 0.23 -0.55 8.43 8.36 1yu1A1 GLY 156 HA2 -0.13 0.08 0.69 -0.51 4.01 4.14 1yu1A1 GLY 156 HA3 -0.12 0.25 0.15 -0.51 4.01 3.78 1yu1A1 ASN 157 H -0.12 0.03 0.13 -0.55 8.53 8.03 1yu1A1 ASN 157 HA -0.20 0.22 0.72 -0.75 4.76 4.74 1yu1A1 ASN 157 HB2 -0.09 -0.06 0.19 -0.04 2.88 2.87 1yu1A1 ASN 157 HB3 -0.10 0.09 0.03 -0.04 2.79 2.77 1yu1A1 ASN 157 HD21 -0.05 0.05 0.04 -0.04 7.03 7.03 1yu1A1 ASN 157 HD22 -0.06 0.05 0.03 -0.04 7.74 7.72 1yu1A1 THR 158 H -0.08 0.16 0.11 -0.55 8.28 7.91 1yu1A1 THR 158 HA 0.08 0.29 0.93 -0.75 4.39 4.94 1yu1A1 THR 158 HB 0.19 0.08 0.26 -0.04 4.32 4.81 1yu1A1 THR 158 HG23 -0.20 -0.01 -0.13 -0.04 1.22 0.84 1yu1A1 THR 159 H -0.02 -0.04 -0.09 -0.55 8.28 7.58 1yu1A1 THR 159 HA 0.01 0.12 0.77 -0.75 4.39 4.54 1yu1A1 THR 159 HB -0.03 -0.08 0.10 -0.04 4.32 4.27 1yu1A1 THR 159 HG23 -0.02 0.05 -0.11 -0.04 1.22 1.11 1yu1A1 ALA 160 H -0.01 0.12 0.05 -0.55 8.40 8.02 1yu1A1 ALA 160 HA -0.22 0.14 0.12 -0.75 4.34 3.64 1yu1A1 ALA 160 HB3 -0.14 -0.02 0.04 -0.04 1.41 1.25 1yu1A1 GLN 161 H -0.61 0.42 0.16 -0.55 8.47 7.89 1yu1A1 GLN 161 HA -0.19 0.15 0.54 -0.75 4.36 4.10 1yu1A1 GLN 161 HB2 -0.07 -0.03 0.11 -0.04 2.15 2.12 1yu1A1 GLN 161 HB3 -0.09 0.09 -0.26 -0.04 2.02 1.72 1yu1A1 GLN 161 HG2 -0.12 0.09 -0.35 -0.04 2.40 1.98 1yu1A1 GLN 161 HG3 -0.09 0.02 -0.38 -0.04 2.39 1.90 1yu1A1 GLN 161 HE21 -0.05 -0.11 -0.05 -0.04 6.97 6.72 1yu1A1 GLN 161 HE22 -0.06 0.41 -0.17 -0.04 7.69 7.84 1yu1A1 ILE 162 H 0.04 0.64 0.30 -0.55 8.25 8.69 1yu1A1 ILE 162 HA 0.15 0.12 0.64 -0.75 4.18 4.33 1yu1A1 ILE 162 HB -0.10 0.02 0.08 -0.04 1.89 1.85 1yu1A1 ILE 162 HG12 -0.28 -0.01 -0.13 -0.04 1.49 1.02 1yu1A1 ILE 162 HG13 0.16 0.07 0.06 -0.04 1.21 1.46 1yu1A1 ILE 162 HG23 -0.18 -0.02 -0.30 -0.04 0.93 0.39 1yu1A1 ILE 162 HD13 -0.44 0.00 -0.30 -0.04 0.88 0.10 1yu1A1 ASN 163 H 0.11 0.53 0.39 -0.55 8.53 9.00 1yu1A1 ASN 163 HA 0.03 0.06 0.78 -0.75 4.76 4.88 1yu1A1 ASN 163 HB2 0.07 0.07 0.17 -0.04 2.88 3.15 1yu1A1 ASN 163 HB3 0.20 -0.00 0.29 -0.04 2.79 3.24 1yu1A1 ASN 163 HD21 0.24 0.47 0.12 -0.04 7.03 7.83 1yu1A1 ASN 163 HD22 0.19 0.02 0.03 -0.04 7.74 7.94 1yu1A1 GLU 164 H -0.07 0.24 0.14 -0.55 8.60 8.36 1yu1A1 GLU 164 HA -0.02 0.06 0.33 -0.75 4.29 3.90 1yu1A1 GLU 164 HB2 -0.17 0.01 0.12 -0.04 2.09 2.00 1yu1A1 GLU 164 HB3 -0.16 0.04 0.14 -0.04 1.99 1.96 1yu1A1 GLU 164 HG2 -0.59 -0.07 0.11 -0.04 2.34 1.75 1yu1A1 GLU 164 HG3 -1.01 0.06 -0.17 -0.04 2.34 1.18 1yu1A1 TYR 165 H 0.07 0.08 -0.21 -0.55 8.29 7.67 1yu1A1 TYR 165 HA 0.15 0.15 0.58 -0.75 4.56 4.69 1yu1A1 TYR 165 HB2 0.21 0.10 0.10 -0.04 3.06 3.42 1yu1A1 TYR 165 HB3 0.11 0.07 0.24 -0.04 2.98 3.37 1yu1A1 TYR 165 HD2 0.15 0.02 0.09 -0.04 7.15 7.37 1yu1A1 TYR 165 HE2 0.04 0.08 0.04 -0.04 6.85 6.97 1yu1A1 SER 166 H 0.31 0.30 -0.31 -0.55 8.46 8.22 1yu1A1 SER 166 HA 0.60 0.20 0.87 -0.75 4.49 5.41 1yu1A1 SER 166 HB2 0.48 0.08 0.25 -0.04 3.95 4.71 1yu1A1 SER 166 HB3 0.37 -0.06 0.15 -0.04 3.93 4.36 1yu1A1 LEU 167 H 0.38 0.23 -0.29 -0.55 8.37 8.15 1yu1A1 LEU 167 HA 0.44 0.21 0.74 -0.75 4.35 4.98 1yu1A1 LEU 167 HB2 0.30 0.12 0.21 -0.04 1.64 2.22 1yu1A1 LEU 167 HB3 0.38 -0.07 -0.00 -0.04 1.64 1.91 1yu1A1 LEU 167 HG 0.18 -0.03 0.02 -0.04 1.64 1.76 1yu1A1 LEU 167 HD13 0.07 0.03 -0.07 -0.04 0.93 0.93 1yu1A1 LEU 167 HD23 0.12 0.00 -0.13 -0.04 0.89 0.84 1yu1A1 TRP 168 H 0.26 0.46 0.43 -0.55 7.97 8.58 1yu1A1 TRP 168 HA 0.59 0.25 0.95 -0.75 4.62 5.67 1yu1A1 TRP 168 HB2 -0.04 0.10 0.25 -0.04 3.23 3.50 1yu1A1 TRP 168 HB3 0.03 0.02 -0.05 -0.04 3.23 3.20 1yu1A1 TRP 168 HD1 0.19 0.22 -0.10 -0.04 7.22 7.48 1yu1A1 TRP 168 HE1 0.13 -0.04 -0.19 -0.04 10.20 10.07 1yu1A1 TRP 168 HE3 0.00 0.27 -0.41 -0.04 7.59 7.42 1yu1A1 TRP 168 HZ2 0.13 0.01 -0.19 -0.04 7.44 7.35 1yu1A1 TRP 168 HZ3 -0.04 0.04 -0.35 -0.04 7.13 6.74 1yu1A1 TRP 168 HH2 -0.01 0.04 -0.16 -0.04 7.19 7.01 1yu1A1 ASP 169 H 0.55 0.66 0.37 -0.55 8.40 9.44 1yu1A1 ASP 169 HA -0.23 0.18 0.67 -0.75 4.63 4.49 1yu1A1 ASP 169 HB2 0.03 0.17 0.34 -0.04 2.71 3.21 1yu1A1 ASP 169 HB3 -0.06 -0.07 0.16 -0.04 2.70 2.68 1yu1A1 ILE 170 H -0.13 0.42 0.20 -0.55 8.25 8.19 1yu1A1 ILE 170 HA 0.30 0.11 0.25 -0.75 4.18 4.08 1yu1A1 ILE 170 HB 0.01 0.02 0.12 -0.04 1.89 1.99 1yu1A1 ILE 170 HG12 -0.84 -0.02 0.16 -0.04 1.49 0.75 1yu1A1 ILE 170 HG13 -0.20 0.01 -0.11 -0.04 1.21 0.87 1yu1A1 ILE 170 HG23 0.00 0.03 -0.03 -0.04 0.93 0.89 1yu1A1 ILE 170 HD13 -0.43 0.02 0.06 -0.04 0.88 0.49 1yu1A1 LYS 171 H 0.26 0.00 -0.40 -0.55 8.42 7.73 1yu1A1 LYS 171 HA 0.17 0.19 0.79 -0.75 4.32 4.72 1yu1A1 LYS 171 HB2 0.33 -0.02 0.06 -0.04 1.87 2.20 1yu1A1 LYS 171 HB3 0.21 0.06 0.24 -0.04 1.79 2.26 1yu1A1 LYS 171 HG2 0.18 0.07 -0.08 -0.04 1.46 1.59 1yu1A1 LYS 171 HG3 0.35 -0.08 -0.18 -0.04 1.46 1.52 1yu1A1 LYS 171 HD2 0.33 0.09 0.09 -0.04 1.69 2.15 1yu1A1 LYS 171 HD3 0.18 0.06 0.09 -0.04 1.68 1.97 1yu1A1 LYS 171 HE2 0.14 -0.06 0.04 -0.04 2.99 3.07 1yu1A1 LYS 171 HE3 0.24 0.01 0.04 -0.04 2.99 3.25 1yu1A1 PHE 172 H 0.32 0.52 -0.27 -0.55 8.34 8.36 1yu1A1 PHE 172 HA 0.15 0.25 0.70 -0.75 4.62 4.97 1yu1A1 PHE 172 HB2 0.19 0.16 -0.27 -0.04 3.15 3.19 1yu1A1 PHE 172 HB3 0.24 -0.25 0.13 -0.04 3.06 3.14 1yu1A1 PHE 172 HD2 0.37 0.07 -0.05 -0.04 7.28 7.63 1yu1A1 PHE 172 HE2 0.26 0.14 -0.09 -0.04 7.38 7.64 1yu1A1 PHE 172 HZ 0.11 -0.02 -0.01 -0.04 7.32 7.35 1yu1A1 ARG 173 H -0.24 0.50 0.22 -0.55 8.46 8.39 1yu1A1 ARG 173 HA -0.31 0.09 0.80 -0.75 4.34 4.16 1yu1A1 ARG 173 HB2 -0.42 0.07 0.02 -0.04 1.90 1.53 1yu1A1 ARG 173 HB3 0.29 0.15 -0.22 -0.04 1.80 1.97 1yu1A1 ARG 173 HG2 0.08 -0.15 -0.28 -0.04 1.67 1.27 1yu1A1 ARG 173 HG3 -0.13 -0.02 -0.23 -0.04 1.67 1.24 1yu1A1 ARG 173 HD2 0.09 -0.09 -0.14 -0.04 3.22 3.04 1yu1A1 ARG 173 HD3 -0.01 0.01 -0.09 -0.04 3.22 3.09 1yu1A1 PRO 174 HA -0.69 0.19 0.65 -0.51 4.44 4.08 1yu1A1 PRO 174 HB2 -0.45 -0.09 -0.09 -0.04 2.28 1.61 1yu1A1 PRO 174 HB3 -0.76 -0.03 0.01 -0.04 2.02 1.20 1yu1A1 PRO 174 HG2 -0.80 0.05 -0.00 -0.04 2.03 1.23 1yu1A1 PRO 174 HG3 -0.94 0.12 0.03 -0.04 2.03 1.20 1yu1A1 PRO 174 HD2 -1.10 0.11 0.19 -0.04 3.68 2.85 1yu1A1 PRO 174 HD3 -3.19 0.13 0.06 -0.04 3.65 0.61 1yu1A1 ALA 175 H -0.10 0.41 0.17 -0.55 8.40 8.34 1yu1A1 ALA 175 HA -0.12 0.15 0.48 -0.75 4.34 4.10 1yu1A1 ALA 175 HB3 -0.01 -0.05 0.05 -0.04 1.41 1.36 1yu1A1 ALA 176 H -0.18 -0.11 -0.45 -0.55 8.40 7.11 1yu1A1 ALA 176 HA -0.05 0.20 0.43 -0.75 4.34 4.17 1yu1A1 ALA 176 HB3 -0.10 0.01 -0.08 -0.04 1.41 1.20 1yu1A1 LEU 177 H -0.03 0.29 0.15 -0.55 8.37 8.23 1yu1A1 LEU 177 HA -0.07 0.08 0.31 -0.75 4.35 3.92 1yu1A1 LEU 177 HB2 0.01 -0.00 0.03 -0.04 1.64 1.63 1yu1A1 LEU 177 HB3 -0.02 -0.04 0.07 -0.04 1.64 1.61 1yu1A1 LEU 177 HG 0.01 0.07 -0.11 -0.04 1.64 1.56 1yu1A1 LEU 177 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.88 1yu1A1 LEU 177 HD23 -0.02 0.00 -0.01 -0.04 0.89 0.83 1yu1A1 ASP 178 H -0.11 0.15 -0.30 -0.55 8.40 7.59 1yu1A1 ASP 178 HA -0.20 0.20 0.75 -0.75 4.63 4.62 1yu1A1 ASP 178 HB2 -0.07 0.03 -0.12 -0.04 2.71 2.51 1yu1A1 ASP 178 HB3 -0.09 -0.03 0.07 -0.04 2.70 2.61 1yu1A1 PRO 179 HA -0.54 0.10 0.44 -0.51 4.44 3.92 1yu1A1 PRO 179 HB2 -1.75 -0.02 -0.06 -0.04 2.28 0.41 1yu1A1 PRO 179 HB3 -1.18 0.12 -0.00 -0.04 2.02 0.92 1yu1A1 PRO 179 HG2 -0.99 -0.03 -0.07 -0.04 2.03 0.90 1yu1A1 PRO 179 HG3 -1.84 0.07 -0.06 -0.04 2.03 0.16 1yu1A1 PRO 179 HD2 -0.36 0.04 0.15 -0.04 3.68 3.47 1yu1A1 PRO 179 HD3 -0.47 0.29 0.01 -0.04 3.65 3.44 1yu1A1 ARG 180 H -0.30 0.06 -0.28 -0.55 8.46 7.39 1yu1A1 ARG 180 HA -0.05 0.00 0.25 -0.75 4.34 3.78 1yu1A1 ARG 180 HB2 -0.24 0.02 0.02 -0.04 1.90 1.66 1yu1A1 ARG 180 HB3 -0.18 0.03 -0.03 -0.04 1.80 1.57 1yu1A1 ARG 180 HG2 -0.17 -0.01 -0.04 -0.04 1.67 1.41 1yu1A1 ARG 180 HG3 -0.32 -0.01 -0.01 -0.04 1.67 1.28 1yu1A1 ARG 180 HD2 -0.60 0.01 -0.02 -0.04 3.22 2.57 1yu1A1 ARG 180 HD3 -2.26 0.01 -0.06 -0.04 3.22 0.87 1yu1A1 GLY 181 H 0.03 0.09 0.16 -0.55 8.43 8.16 1yu1A1 GLY 181 HA2 -0.07 -0.05 0.31 -0.51 4.01 3.68 1yu1A1 GLY 181 HA3 -0.01 0.20 0.44 -0.51 4.01 4.13 1yu1A1 MET 182 H 0.10 0.25 -0.07 -0.55 8.47 8.20 1yu1A1 MET 182 HA 0.18 0.15 0.96 -0.75 4.52 5.04 1yu1A1 MET 182 HB2 0.01 0.15 -0.05 -0.04 2.15 2.22 1yu1A1 MET 182 HB3 0.33 -0.09 -0.14 -0.04 2.03 2.09 1yu1A1 MET 182 HG2 0.06 -0.07 -0.34 -0.04 2.63 2.23 1yu1A1 MET 182 HG3 -0.06 0.20 -0.44 -0.04 2.56 2.21 1yu1A1 MET 182 HE3 0.15 -0.05 -0.44 -0.04 2.10 1.72 1yu1A1 THR 183 H 0.30 0.61 0.28 -0.55 8.28 8.93 1yu1A1 THR 183 HA 0.45 0.22 0.77 -0.75 4.39 5.08 1yu1A1 THR 183 HB 0.26 -0.04 -0.23 -0.04 4.32 4.27 1yu1A1 THR 183 HG23 0.12 0.00 -0.25 -0.04 1.22 1.04 1yu1A1 LEU 184 H -0.17 0.69 0.19 -0.55 8.37 8.54 1yu1A1 LEU 184 HA -1.20 0.10 0.56 -0.75 4.35 3.06 1yu1A1 LEU 184 HB2 -1.82 0.10 0.04 -0.04 1.64 -0.09 1yu1A1 LEU 184 HB3 -0.37 0.03 0.26 -0.04 1.64 1.52 1yu1A1 LEU 184 HG -0.53 -0.28 -0.22 -0.04 1.64 0.57 1yu1A1 LEU 184 HD13 -0.95 0.05 -0.32 -0.04 0.93 -0.34 1yu1A1 LEU 184 HD23 -0.16 0.04 -0.07 -0.04 0.89 0.66 1yu1A1 VAL 185 H -0.97 0.74 0.41 -0.55 8.24 7.87 1yu1A1 VAL 185 HA -1.79 0.09 0.70 -0.75 4.13 2.37 1yu1A1 VAL 185 HB -1.79 0.01 0.19 -0.04 2.12 0.49 1yu1A1 VAL 185 HG13 -0.94 -0.00 -0.28 -0.04 0.97 -0.29 1yu1A1 VAL 185 HG23 -0.49 0.03 -0.02 -0.04 0.95 0.43 1yu1A1 ALA 186 H -2.35 0.27 0.18 -0.55 8.40 5.96 1yu1A1 ALA 186 HA -0.40 0.06 0.32 -0.75 4.34 3.57 1yu1A1 ALA 186 HB3 -0.61 0.04 -0.01 -0.04 1.41 0.80 1yu1A1 GLY 187 H -0.58 0.08 -0.58 -0.55 8.43 6.80 1yu1A1 GLY 187 HA2 -0.35 0.02 0.17 -0.51 4.01 3.35 1yu1A1 GLY 187 HA3 -0.21 0.10 0.41 -0.51 4.01 3.80 1yu1A1 ALA 188 H -0.51 0.36 -0.22 -0.55 8.40 7.48 1yu1A1 ALA 188 HA -0.15 0.16 0.52 -0.75 4.34 4.12 1yu1A1 ALA 188 HB3 -0.06 0.02 -0.02 -0.04 1.41 1.30 1yu1A1 PHE 189 H -0.58 0.30 0.24 -0.55 8.34 7.75 1yu1A1 PHE 189 HA 0.06 0.01 0.45 -0.75 4.62 4.39 1yu1A1 PHE 189 HB2 0.05 0.15 0.17 -0.04 3.15 3.48 1yu1A1 PHE 189 HB3 -0.02 0.07 -0.08 -0.04 3.06 2.98 1yu1A1 PHE 189 HD2 -0.06 0.12 -0.20 -0.04 7.28 7.10 1yu1A1 PHE 189 HE2 -0.09 0.02 -0.08 -0.04 7.38 7.19 1yu1A1 PHE 189 HZ -0.10 0.18 0.11 -0.04 7.32 7.46 1yu1A1 TRP 190 H 0.49 0.50 0.18 -0.55 7.97 8.59 1yu1A1 TRP 190 HA -0.14 0.27 0.98 -0.75 4.62 4.97 1yu1A1 TRP 190 HB2 0.03 -0.06 0.01 -0.04 3.23 3.17 1yu1A1 TRP 190 HB3 0.01 0.04 -0.11 -0.04 3.23 3.12 1yu1A1 TRP 190 HD1 0.02 0.04 -0.36 -0.04 7.22 6.87 1yu1A1 TRP 190 HE1 -0.58 0.00 -0.37 -0.04 10.20 9.22 1yu1A1 TRP 190 HE3 0.06 -0.07 -0.53 -0.04 7.59 7.01 1yu1A1 TRP 190 HZ2 -0.10 0.03 -0.27 -0.04 7.44 7.05 1yu1A1 TRP 190 HZ3 0.26 0.10 -0.18 -0.04 7.13 7.27 1yu1A1 TRP 190 HH2 0.41 0.28 -0.21 -0.04 7.19 7.63 1yu1A1 ALA 191 H 0.10 0.63 0.37 -0.55 8.40 8.95 1yu1A1 ALA 191 HA 0.23 0.20 1.05 -0.75 4.34 5.06 1yu1A1 ALA 191 HB3 0.12 0.01 0.02 -0.04 1.41 1.52 1yu1A1 ASP 192 H 0.14 0.68 0.23 -0.55 8.40 8.90 1yu1A1 ASP 192 HA 0.10 0.12 0.62 -0.75 4.63 4.71 1yu1A1 ASP 192 HB2 0.10 -0.08 0.22 -0.04 2.71 2.91 1yu1A1 ASP 192 HB3 0.09 0.18 -0.00 -0.04 2.70 2.93 1yu1A1 ILE 193 H 0.05 0.72 0.39 -0.55 8.25 8.86 1yu1A1 ILE 193 HA -0.04 -0.00 0.46 -0.75 4.18 3.85 1yu1A1 ILE 193 HB -0.20 0.04 0.07 -0.04 1.89 1.77 1yu1A1 ILE 193 HG12 0.10 0.06 -0.18 -0.04 1.49 1.43 1yu1A1 ILE 193 HG13 0.13 0.02 -0.18 -0.04 1.21 1.13 1yu1A1 ILE 193 HG23 -0.60 0.04 -0.03 -0.04 0.93 0.30 1yu1A1 ILE 193 HD13 0.35 -0.03 -0.26 -0.04 0.88 0.90 1yu1A1 TYR 194 H 0.07 0.13 -0.10 -0.55 8.29 7.85 1yu1A1 TYR 194 HA 0.11 0.19 0.96 -0.75 4.56 5.06 1yu1A1 TYR 194 HB2 0.05 -0.13 0.00 -0.04 3.06 2.94 1yu1A1 TYR 194 HB3 0.06 0.07 0.04 -0.04 2.98 3.11 1yu1A1 TYR 194 HD2 0.07 -0.01 -0.27 -0.04 7.15 6.90 1yu1A1 TYR 194 HE2 0.10 -0.01 -0.13 -0.04 6.85 6.76 1yu1A1 LEU 195 H 0.20 0.08 0.13 -0.55 8.37 8.23 1yu1A1 LEU 195 HA 0.13 0.10 0.69 -0.75 4.35 4.52 1yu1A1 LEU 195 HB2 0.13 -0.10 0.07 -0.04 1.64 1.69 1yu1A1 LEU 195 HB3 0.11 0.04 0.11 -0.04 1.64 1.85 1yu1A1 LEU 195 HG 0.13 0.07 0.07 -0.04 1.64 1.86 1yu1A1 LEU 195 HD13 0.10 -0.02 0.00 -0.04 0.93 0.97 1yu1A1 LEU 195 HD23 0.09 0.01 -0.10 -0.04 0.89 0.85 1yu1A1 LEU 196 H 0.13 0.54 0.38 -0.55 8.37 8.88 1yu1A1 LEU 196 HA 0.10 0.32 0.51 -0.75 4.35 4.53 1yu1A1 LEU 196 HB2 0.16 -0.04 0.09 -0.04 1.64 1.81 1yu1A1 LEU 196 HB3 0.28 -0.10 0.18 -0.04 1.64 1.96 1yu1A1 LEU 196 HG 0.22 0.20 -0.15 -0.04 1.64 1.87 1yu1A1 LEU 196 HD13 -0.01 -0.01 0.03 -0.04 0.93 0.90 1yu1A1 LEU 196 HD23 0.25 -0.03 -0.05 -0.04 0.89 1.02 1yu1A1 GLY 197 H 0.09 0.21 0.16 -0.55 8.43 8.34 1yu1A1 GLY 197 HA2 0.08 0.22 0.88 -0.51 4.01 4.67 1yu1A1 GLY 197 HA3 0.04 -0.01 0.23 -0.51 4.01 3.76 1yu1A1 VAL 198 H 0.05 0.53 0.09 -0.55 8.24 8.35 1yu1A1 VAL 198 HA 0.07 0.04 0.45 -0.75 4.13 3.93 1yu1A1 VAL 198 HB -0.01 -0.07 0.09 -0.04 2.12 2.09 1yu1A1 VAL 198 HG13 -0.02 0.03 -0.13 -0.04 0.97 0.81 1yu1A1 VAL 198 HG23 0.05 0.07 -0.22 -0.04 0.95 0.81 1yu1A1 ASN 199 H -0.04 0.15 -0.17 -0.55 8.53 7.93 1yu1A1 ASN 199 HA -0.18 0.14 0.54 -0.75 4.76 4.50 1yu1A1 ASN 199 HB2 -0.06 0.05 0.15 -0.04 2.88 2.97 1yu1A1 ASN 199 HB3 -0.08 -0.03 0.17 -0.04 2.79 2.81 1yu1A1 ASN 199 HD21 -0.04 0.03 0.02 -0.04 7.03 7.00 1yu1A1 ASN 199 HD22 -0.05 0.01 0.05 -0.04 7.74 7.72 1yu1A1 HIS 200 H -0.39 0.47 -0.34 -0.55 8.41 7.59 1yu1A1 HIS 200 HA -0.06 0.38 0.22 -0.75 4.63 4.41 1yu1A1 HIS 200 HB2 -0.16 -0.08 -0.28 -0.04 3.26 2.70 1yu1A1 HIS 200 HB3 -0.03 0.13 -0.05 -0.04 3.20 3.21 1yu1A1 HIS 200 HD2 0.04 0.13 0.08 -0.04 6.97 7.17 1yu1A1 HIS 200 HE1 -0.01 -0.09 -0.20 -0.04 7.75 7.41 1yu1A1 LEU 201 H -0.35 0.09 -0.25 -0.55 8.37 7.31 1yu1A1 LEU 201 HA 0.12 0.11 0.44 -0.75 4.35 4.27 1yu1A1 LEU 201 HB2 -0.09 0.00 0.01 -0.04 1.64 1.52 1yu1A1 LEU 201 HB3 -0.00 0.04 -0.00 -0.04 1.64 1.63 1yu1A1 LEU 201 HG -0.29 -0.02 -0.06 -0.04 1.64 1.23 1yu1A1 LEU 201 HD13 -0.05 0.08 -0.06 -0.04 0.93 0.86 1yu1A1 LEU 201 HD23 0.07 -0.00 -0.05 -0.04 0.89 0.86 1yu1A1 THR 202 H -0.06 0.09 -0.23 -0.55 8.28 7.54 1yu1A1 THR 202 HA -0.02 0.18 0.74 -0.75 4.39 4.54 1yu1A1 THR 202 HB -0.03 0.01 0.04 -0.04 4.32 4.30 1yu1A1 THR 202 HG23 -0.04 -0.02 -0.03 -0.04 1.22 1.09 1yu1A1 ASP 203 H -0.04 0.39 0.04 -0.55 8.40 8.25 1yu1A1 ASP 203 HA -0.05 0.09 0.39 -0.75 4.63 4.30 1yu1A1 ASP 203 HB2 -0.04 0.11 -0.09 -0.04 2.71 2.66 1yu1A1 ASP 203 HB3 -0.05 -0.05 -0.09 -0.04 2.70 2.46 1yu1A1 GLY 204 H -0.01 0.20 -0.44 -0.55 8.43 7.64 1yu1A1 GLY 204 HA2 -0.15 0.10 0.29 -0.51 4.01 3.74 1yu1A1 GLY 204 HA3 -0.12 0.11 0.64 -0.51 4.01 4.13 1yu1A1 THR 205 H -0.32 0.19 0.07 -0.55 8.28 7.67 1yu1A1 THR 205 HA -0.10 0.04 0.39 -0.75 4.39 3.97 1yu1A1 THR 205 HB -0.06 -0.05 0.05 -0.04 4.32 4.21 1yu1A1 THR 205 HG23 -0.50 0.00 -0.05 -0.04 1.22 0.63 1yu1A1 SER 206 H -0.05 0.18 -0.41 -0.55 8.46 7.64 1yu1A1 SER 206 HA 0.15 0.23 0.80 -0.75 4.49 4.92 1yu1A1 SER 206 HB2 0.06 -0.04 -0.11 -0.04 3.95 3.82 1yu1A1 SER 206 HB3 0.04 0.10 0.17 -0.04 3.93 4.20 1yu1A1 LYS 207 H 0.05 0.30 0.01 -0.55 8.42 8.22 1yu1A1 LYS 207 HA -0.10 0.13 0.75 -0.75 4.32 4.34 1yu1A1 LYS 207 HB2 -0.07 0.17 -0.29 -0.04 1.87 1.64 1yu1A1 LYS 207 HB3 -0.09 -0.09 -0.16 -0.04 1.79 1.41 1yu1A1 LYS 207 HG2 -0.13 0.19 -0.19 -0.04 1.46 1.30 1yu1A1 LYS 207 HG3 -0.08 -0.04 0.12 -0.04 1.46 1.42 1yu1A1 LYS 207 HD2 -0.07 0.09 0.01 -0.04 1.69 1.67 1yu1A1 LYS 207 HD3 -0.07 -0.10 -0.07 -0.04 1.68 1.40 1yu1A1 LYS 207 HE2 -0.05 -0.06 -0.00 -0.04 2.99 2.84 1yu1A1 LYS 207 HE3 -0.05 0.05 -0.00 -0.04 2.99 2.95 1yu1A1 TYR 208 H -0.23 0.25 0.12 -0.55 8.29 7.87 1yu1A1 TYR 208 HA -0.98 -0.02 0.47 -0.75 4.56 3.28 1yu1A1 TYR 208 HB2 -0.37 -0.08 0.09 -0.04 3.06 2.66 1yu1A1 TYR 208 HB3 -0.17 0.25 0.23 -0.04 2.98 3.24 1yu1A1 TYR 208 HD2 -0.16 0.02 -0.05 -0.04 7.15 6.93 1yu1A1 TYR 208 HE2 -0.26 0.09 0.00 -0.04 6.85 6.63 1yu1A1 ASN 209 H -0.71 0.35 0.13 -0.55 8.53 7.75 1yu1A1 ASN 209 HA -0.53 0.10 0.33 -0.75 4.76 3.90 1yu1A1 ASN 209 HB2 -1.54 -0.04 -0.17 -0.04 2.88 1.09 1yu1A1 ASN 209 HB3 -0.45 0.14 0.03 -0.04 2.79 2.47 1yu1A1 ASN 209 HD21 -0.14 -0.05 -0.00 -0.04 7.03 6.80 1yu1A1 ASN 209 HD22 -0.17 0.03 -0.00 -0.04 7.74 7.56 1yu1A1 VAL 210 H -0.23 0.10 -0.02 -0.55 8.24 7.54 1yu1A1 VAL 210 HA -0.12 0.20 0.84 -0.75 4.13 4.30 1yu1A1 VAL 210 HB -0.07 -0.10 0.05 -0.04 2.12 1.96 1yu1A1 VAL 210 HG13 -0.12 0.06 -0.32 -0.04 0.97 0.55 1yu1A1 VAL 210 HG23 -0.08 0.05 -0.25 -0.04 0.95 0.63 1yu1A1 THR 211 H -0.05 0.11 0.14 -0.55 8.28 7.92 1yu1A1 THR 211 HA -0.03 0.24 0.63 -0.75 4.39 4.48 1yu1A1 THR 211 HB -0.01 -0.14 0.17 -0.04 4.32 4.30 1yu1A1 THR 211 HG23 0.01 0.06 -0.02 -0.04 1.22 1.22 1yu1A1 ILE 212 H 0.02 0.57 0.32 -0.55 8.25 8.61 1yu1A1 ILE 212 HA 0.08 0.16 0.54 -0.75 4.18 4.20 1yu1A1 ILE 212 HB 0.07 0.02 -0.02 -0.04 1.89 1.92 1yu1A1 ILE 212 HG12 0.08 0.06 -0.14 -0.04 1.49 1.44 1yu1A1 ILE 212 HG13 0.02 -0.06 -0.11 -0.04 1.21 1.02 1yu1A1 ILE 212 HG23 0.12 0.02 -0.20 -0.04 0.93 0.83 1yu1A1 ILE 212 HD13 0.07 -0.01 -0.39 -0.04 0.88 0.50 1yu1A1 ALA 213 H 0.16 0.67 0.28 -0.55 8.40 8.96 1yu1A1 ALA 213 HA 0.16 0.30 0.69 -0.75 4.34 4.74 1yu1A1 ALA 213 HB3 0.27 -0.04 -0.15 -0.04 1.41 1.45 1yu1A1 ASP 214 H 0.21 0.31 0.14 -0.55 8.40 8.51 1yu1A1 ASP 214 HA 0.37 0.29 0.31 -0.75 4.63 4.85 1yu1A1 ASP 214 HB2 0.16 -0.08 0.09 -0.04 2.71 2.84 1yu1A1 ASP 214 HB3 0.17 0.12 -0.14 -0.04 2.70 2.81 1yu1A1 GLY 215 H 0.19 0.47 0.13 -0.55 8.43 8.68 1yu1A1 GLY 215 HA2 0.18 -0.06 0.31 -0.51 4.01 3.92 1yu1A1 GLY 215 HA3 0.13 -0.11 -0.01 -0.51 4.01 3.52 1yu1A1 SER 216 H 0.15 0.07 -0.31 -0.55 8.46 7.83 1yu1A1 SER 216 HA 0.08 0.17 0.68 -0.75 4.49 4.67 1yu1A1 SER 216 HB2 0.12 0.03 0.02 -0.04 3.95 4.08 1yu1A1 SER 216 HB3 0.08 0.06 0.07 -0.04 3.93 4.09 1yu1A1 ALA 217 H 0.13 0.13 -0.43 -0.55 8.40 7.68 1yu1A1 ALA 217 HA 0.06 0.11 0.49 -0.75 4.34 4.25 1yu1A1 ALA 217 HB3 0.06 0.03 0.06 -0.04 1.41 1.52 1yu1A1 SER 218 H 0.07 0.12 -0.10 -0.55 8.46 8.00 1yu1A1 SER 218 HA 0.09 0.12 0.18 -0.75 4.49 4.12 1yu1A1 SER 218 HB2 0.10 0.04 -0.10 -0.04 3.95 3.96 1yu1A1 SER 218 HB3 0.09 -0.10 -0.25 -0.04 3.93 3.62 1yu1A1 PRO 219 HA 0.08 0.06 0.56 -0.51 4.44 4.63 1yu1A1 PRO 219 HB2 0.33 0.14 -0.05 -0.04 2.28 2.66 1yu1A1 PRO 219 HB3 0.23 0.08 0.09 -0.04 2.02 2.38 1yu1A1 PRO 219 HG2 -0.49 -0.01 -0.07 -0.04 2.03 1.42 1yu1A1 PRO 219 HG3 -0.56 0.04 -0.03 -0.04 2.03 1.44 1yu1A1 PRO 219 HD2 -0.11 0.06 0.10 -0.04 3.68 3.70 1yu1A1 PRO 219 HD3 -0.25 0.13 0.09 -0.04 3.65 3.58 1yu1A1 LYS 220 H -0.11 0.49 0.31 -0.55 8.42 8.55 1yu1A1 LYS 220 HA -0.11 0.08 0.56 -0.75 4.32 4.09 1yu1A1 LYS 220 HB2 -0.50 -0.13 0.12 -0.04 1.87 1.32 1yu1A1 LYS 220 HB3 -0.17 0.04 -0.08 -0.04 1.79 1.54 1yu1A1 LYS 220 HG2 -0.16 0.08 -0.01 -0.04 1.46 1.33 1yu1A1 LYS 220 HG3 -0.20 -0.13 0.01 -0.04 1.46 1.10 1yu1A1 LYS 220 HD2 -0.10 -0.00 -0.33 -0.04 1.69 1.22 1yu1A1 LYS 220 HD3 -0.09 0.00 -0.21 -0.04 1.68 1.35 1yu1A1 LYS 220 HE2 -0.09 -0.12 -0.04 -0.04 2.99 2.70 1yu1A1 LYS 220 HE3 -0.07 0.10 0.04 -0.04 2.99 3.02 1yu1A1 LYS 221 H -0.26 0.58 0.26 -0.55 8.42 8.46 1yu1A1 LYS 221 HA -1.13 0.03 0.43 -0.75 4.32 2.89 1yu1A1 LYS 221 HB2 -0.48 0.03 -0.24 -0.04 1.87 1.14 1yu1A1 LYS 221 HB3 -0.22 -0.17 -0.03 -0.04 1.79 1.32 1yu1A1 LYS 221 HG2 -0.14 0.06 -0.22 -0.04 1.46 1.12 1yu1A1 LYS 221 HG3 -0.67 -0.02 -0.05 -0.04 1.46 0.68 1yu1A1 LYS 221 HD2 -0.22 0.01 -0.18 -0.04 1.69 1.26 1yu1A1 LYS 221 HD3 -0.11 -0.02 -0.20 -0.04 1.68 1.31 1yu1A1 LYS 221 HE2 0.01 0.18 -0.08 -0.04 2.99 3.07 1yu1A1 LYS 221 HE3 0.02 -0.06 -0.04 -0.04 2.99 2.86 1yu1A1 SER 222 H 0.15 0.15 0.08 -0.55 8.46 8.30 1yu1A1 SER 222 HA 0.35 0.10 0.40 -0.75 4.49 4.58 1yu1A1 SER 222 HB2 0.36 0.13 0.03 -0.04 3.95 4.44 1yu1A1 SER 222 HB3 0.38 0.02 0.08 -0.04 3.93 4.37 1yu1A1 THR 223 H 0.24 0.23 0.13 -0.55 8.28 8.33 1yu1A1 THR 223 HA 0.02 0.22 0.50 -0.75 4.39 4.38 1yu1A1 THR 223 HB -0.00 0.08 0.03 -0.04 4.32 4.39 1yu1A1 THR 223 HG23 0.03 0.00 -0.21 -0.04 1.22 1.01 1yu1A1 LYS 224 H -0.07 0.04 -0.25 -0.55 8.42 7.58 1yu1A1 LYS 224 HA -0.27 0.20 0.76 -0.75 4.32 4.26 1yu1A1 LYS 224 HB2 -0.36 -0.03 0.02 -0.04 1.87 1.45 1yu1A1 LYS 224 HB3 -0.63 0.05 0.09 -0.04 1.79 1.26 1yu1A1 LYS 224 HG2 -0.34 0.03 0.02 -0.04 1.46 1.12 1yu1A1 LYS 224 HG3 -0.76 -0.08 -0.00 -0.04 1.46 0.58 1yu1A1 LYS 224 HD2 -0.42 0.01 0.09 -0.04 1.69 1.33 1yu1A1 LYS 224 HD3 -0.30 -0.01 0.05 -0.04 1.68 1.37 1yu1A1 LYS 224 HE2 -0.23 -0.05 0.03 -0.04 2.99 2.70 1yu1A1 LYS 224 HE3 -0.55 -0.05 0.05 -0.04 2.99 2.40 1yu1A1 PHE 225 H 0.11 0.22 -0.48 -0.55 8.34 7.63 1yu1A1 PHE 225 HA -0.02 0.23 0.74 -0.75 4.62 4.82 1yu1A1 PHE 225 HB2 0.05 -0.06 0.06 -0.04 3.15 3.16 1yu1A1 PHE 225 HB3 0.03 0.01 0.16 -0.04 3.06 3.22 1yu1A1 PHE 225 HD2 0.01 -0.07 -0.08 -0.04 7.28 7.09 1yu1A1 PHE 225 HE2 -0.02 0.01 -0.06 -0.04 7.38 7.26 1yu1A1 PHE 225 HZ -0.02 0.02 -0.05 -0.04 7.32 7.22 1yu1A1 GLY 226 H -0.01 0.23 -0.22 -0.55 8.43 7.88 1yu1A1 GLY 226 HA2 -0.00 0.03 0.24 -0.51 4.01 3.76 1yu1A1 GLY 226 HA3 0.03 0.11 0.39 -0.51 4.01 4.03 1yu1A1 GLY 227 H 0.03 0.38 -0.27 -0.55 8.43 8.03 1yu1A1 GLY 227 HA2 -0.06 0.01 0.45 -0.51 4.01 3.90 1yu1A1 GLY 227 HA3 -0.03 0.10 -0.21 -0.51 4.01 3.36 1yu1A1 ASP 228 H -0.05 0.01 0.16 -0.55 8.40 7.97 1yu1A1 ASP 228 HA -0.02 0.30 0.86 -0.75 4.63 5.02 1yu1A1 ASP 228 HB2 -0.02 0.05 0.16 -0.04 2.71 2.85 1yu1A1 ASP 228 HB3 -0.03 0.11 0.00 -0.04 2.70 2.75 1yu1A1 GLY 229 H -0.04 0.12 -0.04 -0.55 8.43 7.93 1yu1A1 GLY 229 HA2 -0.03 0.04 0.28 -0.51 4.01 3.79 1yu1A1 GLY 229 HA3 -0.03 0.22 0.69 -0.51 4.01 4.39 1yu1A1 SER 230 H -0.04 -0.10 -0.23 -0.55 8.46 7.54 1yu1A1 SER 230 HA -0.05 0.24 0.89 -0.75 4.49 4.82 1yu1A1 SER 230 HB2 -0.03 -0.06 0.02 -0.04 3.95 3.84 1yu1A1 SER 230 HB3 -0.03 0.02 -0.04 -0.04 3.93 3.83 1yu1A1 ALA 231 H -0.06 -0.11 0.12 -0.55 8.40 7.80 1yu1A1 ALA 231 HA -0.05 0.10 0.49 -0.75 4.34 4.12 1yu1A1 ALA 231 HB3 -0.07 0.02 0.10 -0.04 1.41 1.42 1yu1A1 ALA 232 H -0.06 0.15 0.18 -0.55 8.40 8.12 1yu1A1 ALA 232 HA -0.14 0.00 0.86 -0.75 4.34 4.31 1yu1A1 ALA 232 HB3 -0.01 0.03 -0.08 -0.04 1.41 1.31 1yu1A1 TYR 233 H 0.02 0.52 0.04 -0.55 8.29 8.32 1yu1A1 TYR 233 HA -0.01 0.03 0.51 -0.75 4.56 4.33 1yu1A1 TYR 233 HB2 -0.06 0.13 0.08 -0.04 3.06 3.17 1yu1A1 TYR 233 HB3 -0.03 -0.15 0.14 -0.04 2.98 2.90 1yu1A1 TYR 233 HD2 -0.06 0.09 -0.03 -0.04 7.15 7.11 1yu1A1 TYR 233 HE2 -0.02 0.10 -0.06 -0.04 6.85 6.83 1yu1A1 SER 234 H 0.14 0.09 0.16 -0.55 8.46 8.31 1yu1A1 SER 234 HA 0.05 0.12 0.44 -0.75 4.49 4.35 1yu1A1 SER 234 HB2 0.04 0.01 0.10 -0.04 3.95 4.06 1yu1A1 SER 234 HB3 0.05 0.02 0.14 -0.04 3.93 4.10 1yu1A1 ASP 235 H 0.10 0.07 -0.13 -0.55 8.40 7.90 1yu1A1 ASP 235 HA 0.08 0.25 0.35 -0.75 4.63 4.55 1yu1A1 ASP 235 HB2 0.05 -0.10 0.16 -0.04 2.71 2.78 1yu1A1 ASP 235 HB3 0.04 0.18 -0.12 -0.04 2.70 2.76 1yu1A1 GLY 236 H 0.14 0.12 0.04 -0.55 8.43 8.19 1yu1A1 GLY 236 HA2 0.12 0.20 0.60 -0.51 4.01 4.43 1yu1A1 GLY 236 HA3 0.41 0.00 0.15 -0.51 4.01 4.07 1yu1A1 ALA 237 H 0.10 0.03 -0.43 -0.55 8.40 7.56 1yu1A1 ALA 237 HA 0.23 0.43 0.30 -0.75 4.34 4.55 1yu1A1 ALA 237 HB3 0.10 0.02 0.06 -0.04 1.41 1.55 1yu1A1 TRP 238 H -0.61 0.39 0.29 -0.55 7.97 7.49 1yu1A1 TRP 238 HA -1.89 0.06 0.55 -0.75 4.62 2.58 1yu1A1 TRP 238 HB2 -2.54 0.05 0.25 -0.04 3.23 0.95 1yu1A1 TRP 238 HB3 -1.15 -0.06 0.26 -0.04 3.23 2.24 1yu1A1 TRP 238 HD1 -0.66 0.00 0.11 -0.04 7.22 6.64 1yu1A1 TRP 238 HE1 -0.33 0.48 0.13 -0.04 10.20 10.44 1yu1A1 TRP 238 HE3 -0.86 -0.05 -0.21 -0.04 7.59 6.43 1yu1A1 TRP 238 HZ2 -0.00 0.00 -0.02 -0.04 7.44 7.38 1yu1A1 TRP 238 HZ3 0.08 0.01 -0.07 -0.04 7.13 7.11 1yu1A1 TRP 238 HH2 0.12 0.03 -0.05 -0.04 7.19 7.25 1yu1A1 TYR 239 H -0.27 0.23 -0.17 -0.55 8.29 7.54 1yu1A1 TYR 239 HA -0.14 0.05 0.26 -0.75 4.56 3.98 1yu1A1 TYR 239 HB2 -0.07 -0.03 -0.01 -0.04 3.06 2.90 1yu1A1 TYR 239 HB3 -0.06 0.06 -0.04 -0.04 2.98 2.90 1yu1A1 TYR 239 HD2 0.16 0.03 -0.03 -0.04 7.15 7.26 1yu1A1 TYR 239 HE2 0.04 0.01 -0.11 -0.04 6.85 6.74 1yu1A1 ASN 240 H -0.20 0.20 -0.40 -0.55 8.53 7.58 1yu1A1 ASN 240 HA -0.67 0.04 0.41 -0.75 4.76 3.79 1yu1A1 ASN 240 HB2 -0.56 0.15 0.05 -0.04 2.88 2.48 1yu1A1 ASN 240 HB3 -1.70 0.01 0.03 -0.04 2.79 1.09 1yu1A1 ASN 240 HD21 -0.02 -0.12 -0.01 -0.04 7.03 6.84 1yu1A1 ASN 240 HD22 -0.15 0.43 0.01 -0.04 7.74 8.00 1yu1A1 PHE 241 H -0.21 0.45 -0.10 -0.55 8.34 7.92 1yu1A1 PHE 241 HA -0.17 0.04 0.46 -0.75 4.62 4.20 1yu1A1 PHE 241 HB2 -0.29 0.09 0.12 -0.04 3.15 3.03 1yu1A1 PHE 241 HB3 -0.08 -0.04 -0.06 -0.04 3.06 2.85 1yu1A1 PHE 241 HD2 0.12 0.09 -0.16 -0.04 7.28 7.29 1yu1A1 PHE 241 HE2 0.18 0.01 -0.08 -0.04 7.38 7.45 1yu1A1 PHE 241 HZ 0.13 -0.00 -0.34 -0.04 7.32 7.07 1yu1A1 ALA 242 H -0.71 0.66 -0.10 -0.55 8.40 7.71 1yu1A1 ALA 242 HA -0.41 -0.01 0.44 -0.75 4.34 3.60 1yu1A1 ALA 242 HB3 -1.21 0.02 0.03 -0.04 1.41 0.22 1yu1A1 GLU 243 H -0.38 0.39 -0.33 -0.55 8.60 7.73 1yu1A1 GLU 243 HA -0.37 0.04 0.47 -0.75 4.29 3.67 1yu1A1 GLU 243 HB2 -0.34 0.09 0.13 -0.04 2.09 1.93 1yu1A1 GLU 243 HB3 -0.27 0.12 0.19 -0.04 1.99 1.98 1yu1A1 GLU 243 HG2 -0.16 -0.09 -0.14 -0.04 2.34 1.91 1yu1A1 GLU 243 HG3 -1.18 -0.01 0.04 -0.04 2.34 1.15 1yu1A1 VAL 244 H -0.19 0.50 -0.12 -0.55 8.24 7.88 1yu1A1 VAL 244 HA -0.01 -0.04 0.44 -0.75 4.13 3.77 1yu1A1 VAL 244 HB -0.14 0.11 0.16 -0.04 2.12 2.21 1yu1A1 VAL 244 HG13 -0.51 -0.01 -0.15 -0.04 0.97 0.25 1yu1A1 VAL 244 HG23 0.03 0.03 0.03 -0.04 0.95 0.99 1yu1A1 MET 245 H -0.07 0.52 -0.18 -0.55 8.47 8.19 1yu1A1 MET 245 HA 0.06 -0.01 0.28 -0.75 4.52 4.09 1yu1A1 MET 245 HB2 -0.06 0.08 0.02 -0.04 2.15 2.16 1yu1A1 MET 245 HB3 0.02 -0.04 -0.51 -0.04 2.03 1.45 1yu1A1 MET 245 HG2 0.00 0.21 -0.08 -0.04 2.63 2.72 1yu1A1 MET 245 HG3 0.02 -0.02 -0.34 -0.04 2.56 2.17 1yu1A1 MET 245 HE3 0.10 0.02 -0.31 -0.04 2.10 1.87 1yu1A1 THR 246 H -0.04 0.42 -0.25 -0.55 8.28 7.87 1yu1A1 THR 246 HA 0.05 0.10 0.43 -0.75 4.39 4.22 1yu1A1 THR 246 HB -0.02 0.10 0.16 -0.04 4.32 4.52 1yu1A1 THR 246 HG23 0.13 -0.02 -0.04 -0.04 1.22 1.25 1yu1A1 HIS 247 H 0.16 0.46 -0.19 -0.55 8.41 8.29 1yu1A1 HIS 247 HA 0.06 -0.03 0.44 -0.75 4.63 4.35 1yu1A1 HIS 247 HB2 0.07 -0.05 0.15 -0.04 3.26 3.38 1yu1A1 HIS 247 HB3 -0.17 0.32 0.16 -0.04 3.20 3.46 1yu1A1 HIS 247 HD2 -0.46 0.11 -0.72 -0.04 6.97 5.86 1yu1A1 HIS 247 HE1 -0.04 -0.07 0.01 -0.04 7.75 7.61 1yu1A1 HIS 248 H 0.16 0.40 -0.34 -0.55 8.41 8.08 1yu1A1 HIS 248 HA 0.13 0.12 0.64 -0.75 4.63 4.76 1yu1A1 HIS 248 HB2 -0.02 0.07 0.07 -0.04 3.26 3.35 1yu1A1 HIS 248 HB3 -0.02 -0.06 0.13 -0.04 3.20 3.21 1yu1A1 HIS 248 HD2 -0.21 0.28 -0.06 -0.04 6.97 6.93 1yu1A1 HIS 248 HE1 -0.09 0.17 -0.11 -0.04 7.75 7.67 1yu1A1 GLY 249 H 0.09 0.46 -0.29 -0.55 8.43 8.14 1yu1A1 GLY 249 HA2 0.04 0.06 0.34 -0.51 4.01 3.94 1yu1A1 GLY 249 HA3 0.03 -0.06 0.48 -0.51 4.01 3.95 1yu1A1 LYS 250 H 0.07 0.56 -0.02 -0.55 8.42 8.48 1yu1A1 LYS 250 HA 0.05 0.17 0.86 -0.75 4.32 4.64 1yu1A1 LYS 250 HB2 0.05 -0.06 -0.03 -0.04 1.87 1.79 1yu1A1 LYS 250 HB3 0.06 -0.02 0.14 -0.04 1.79 1.92 1yu1A1 LYS 250 HG2 0.02 0.02 -0.28 -0.04 1.46 1.18 1yu1A1 LYS 250 HG3 0.06 0.10 -0.44 -0.04 1.46 1.14 1yu1A1 LYS 250 HD2 -0.01 -0.07 -0.08 -0.04 1.69 1.49 1yu1A1 LYS 250 HD3 0.03 -0.09 -0.16 -0.04 1.68 1.42 1yu1A1 LYS 250 HE2 -0.04 0.00 -0.15 -0.04 2.99 2.76 1yu1A1 LYS 250 HE3 -0.03 0.07 -0.06 -0.04 2.99 2.93 1yu1A1 ARG 251 H 0.06 0.63 0.38 -0.55 8.46 8.99 1yu1A1 ARG 251 HA 0.02 0.09 0.57 -0.75 4.34 4.26 1yu1A1 ARG 251 HB2 0.06 -0.01 0.13 -0.04 1.90 2.04 1yu1A1 ARG 251 HB3 0.05 0.06 -0.04 -0.04 1.80 1.82 1yu1A1 ARG 251 HG2 0.06 0.03 -0.08 -0.04 1.67 1.64 1yu1A1 ARG 251 HG3 0.06 0.02 -0.21 -0.04 1.67 1.50 1yu1A1 ARG 251 HD2 0.06 0.01 -0.03 -0.04 3.22 3.22 1yu1A1 ARG 251 HD3 0.05 0.00 -0.07 -0.04 3.22 3.16 1yu1A1 LEU 252 H 0.02 0.08 0.11 -0.55 8.37 8.03 1yu1A1 LEU 252 HA 0.09 0.31 0.72 -0.75 4.35 4.72 1yu1A1 LEU 252 HB2 0.09 -0.11 -0.18 -0.04 1.64 1.40 1yu1A1 LEU 252 HB3 0.12 0.25 -0.08 -0.04 1.64 1.89 1yu1A1 LEU 252 HG -0.11 -0.09 -0.07 -0.04 1.64 1.33 1yu1A1 LEU 252 HD13 -0.34 -0.02 -0.21 -0.04 0.93 0.31 1yu1A1 LEU 252 HD23 0.05 0.06 -0.07 -0.04 0.89 0.89 1yu1A1 PRO 253 HA 0.08 0.04 0.46 -0.51 4.44 4.50 1yu1A1 PRO 253 HB2 0.22 0.05 -0.06 -0.04 2.28 2.46 1yu1A1 PRO 253 HB3 0.20 0.07 -0.01 -0.04 2.02 2.23 1yu1A1 PRO 253 HG2 0.38 -0.03 0.06 -0.04 2.03 2.39 1yu1A1 PRO 253 HG3 0.36 0.07 0.04 -0.04 2.03 2.46 1yu1A1 PRO 253 HD2 0.18 0.25 0.35 -0.04 3.68 4.42 1yu1A1 PRO 253 HD3 0.17 0.44 0.30 -0.04 3.65 4.52 1yu1A1 ASN 254 H 0.05 0.11 0.14 -0.55 8.53 8.28 1yu1A1 ASN 254 HA 0.31 0.17 0.71 -0.75 4.76 5.19 1yu1A1 ASN 254 HB2 0.18 -0.08 0.15 -0.04 2.88 3.10 1yu1A1 ASN 254 HB3 0.13 0.19 0.06 -0.04 2.79 3.13 1yu1A1 ASN 254 HD21 -0.02 0.05 0.00 -0.04 7.03 7.02 1yu1A1 ASN 254 HD22 0.05 0.11 0.03 -0.04 7.74 7.89 1yu1A1 TYR 255 H 0.32 0.19 0.09 -0.55 8.29 8.34 1yu1A1 TYR 255 HA -0.84 0.15 0.21 -0.75 4.56 3.32 1yu1A1 TYR 255 HB2 0.37 0.01 0.08 -0.04 3.06 3.48 1yu1A1 TYR 255 HB3 0.12 0.02 0.05 -0.04 2.98 3.13 1yu1A1 TYR 255 HD2 0.07 -0.04 0.03 -0.04 7.15 7.16 1yu1A1 TYR 255 HE2 0.25 -0.00 -0.05 -0.04 6.85 7.00 1yu1A1 ASN 256 H 0.08 0.07 -0.10 -0.55 8.53 8.04 1yu1A1 ASN 256 HA -0.03 0.12 0.35 -0.75 4.76 4.45 1yu1A1 ASN 256 HB2 -0.03 0.08 0.04 -0.04 2.88 2.93 1yu1A1 ASN 256 HB3 -0.00 0.00 0.07 -0.04 2.79 2.82 1yu1A1 ASN 256 HD21 -0.08 0.04 -0.08 -0.04 7.03 6.87 1yu1A1 ASN 256 HD22 -0.04 0.05 -0.10 -0.04 7.74 7.60 1yu1A1 GLU 257 H -0.07 0.02 -0.33 -0.55 8.60 7.66 1yu1A1 GLU 257 HA -0.25 0.12 0.48 -0.75 4.29 3.89 1yu1A1 GLU 257 HB2 -0.16 -0.02 0.08 -0.04 2.09 1.95 1yu1A1 GLU 257 HB3 -0.56 0.08 -0.02 -0.04 1.99 1.45 1yu1A1 GLU 257 HG2 -1.41 0.09 -0.03 -0.04 2.34 0.94 1yu1A1 GLU 257 HG3 -0.39 -0.09 -0.04 -0.04 2.34 1.78 1yu1A1 PHE 258 H 0.06 0.38 -0.20 -0.55 8.34 8.02 1yu1A1 PHE 258 HA 0.05 0.06 0.41 -0.75 4.62 4.39 1yu1A1 PHE 258 HB2 -0.32 0.02 -0.02 -0.04 3.15 2.79 1yu1A1 PHE 258 HB3 -0.38 0.04 0.06 -0.04 3.06 2.75 1yu1A1 PHE 258 HD2 0.06 0.10 -0.14 -0.04 7.28 7.26 1yu1A1 PHE 258 HE2 0.09 0.03 -0.01 -0.04 7.38 7.45 1yu1A1 PHE 258 HZ 0.05 0.16 0.04 -0.04 7.32 7.53 1yu1A1 GLN 259 H 0.14 0.46 -0.01 -0.55 8.47 8.51 1yu1A1 GLN 259 HA 0.12 0.27 0.51 -0.75 4.36 4.50 1yu1A1 GLN 259 HB2 0.09 -0.09 0.03 -0.04 2.15 2.14 1yu1A1 GLN 259 HB3 0.09 0.02 0.13 -0.04 2.02 2.22 1yu1A1 GLN 259 HG2 -0.00 0.06 0.10 -0.04 2.40 2.53 1yu1A1 GLN 259 HG3 0.03 0.03 -0.19 -0.04 2.39 2.22 1yu1A1 GLN 259 HE21 -0.05 -0.03 -0.03 -0.04 6.97 6.82 1yu1A1 GLN 259 HE22 -0.03 0.04 -0.01 -0.04 7.69 7.65 1yu1A1 ALA 260 H 0.08 0.22 -0.51 -0.55 8.40 7.65 1yu1A1 ALA 260 HA 0.14 0.05 0.55 -0.75 4.34 4.32 1yu1A1 ALA 260 HB3 0.10 0.03 0.08 -0.04 1.41 1.58 1yu1A1 LEU 261 H 0.12 0.59 0.04 -0.55 8.37 8.57 1yu1A1 LEU 261 HA 0.03 -0.02 0.29 -0.75 4.35 3.89 1yu1A1 LEU 261 HB2 0.05 -0.04 0.06 -0.04 1.64 1.66 1yu1A1 LEU 261 HB3 0.22 0.01 0.10 -0.04 1.64 1.92 1yu1A1 LEU 261 HG -0.24 0.15 0.18 -0.04 1.64 1.69 1yu1A1 LEU 261 HD13 -0.14 0.00 -0.24 -0.04 0.93 0.51 1yu1A1 LEU 261 HD23 0.21 -0.01 -0.13 -0.04 0.89 0.92 1yu1A1 ALA 262 H -0.11 0.39 -0.37 -0.55 8.40 7.76 1yu1A1 ALA 262 HA -0.05 0.08 0.63 -0.75 4.34 4.25 1yu1A1 ALA 262 HB3 -0.41 0.02 -0.01 -0.04 1.41 0.97 1yu1A1 PHE 263 H 0.29 0.36 -0.27 -0.55 8.34 8.16 1yu1A1 PHE 263 HA 0.01 -0.04 0.50 -0.75 4.62 4.35 1yu1A1 PHE 263 HB2 0.11 0.17 0.21 -0.04 3.15 3.59 1yu1A1 PHE 263 HB3 0.25 0.09 0.18 -0.04 3.06 3.54 1yu1A1 PHE 263 HD2 -0.17 -0.03 -0.07 -0.04 7.28 6.96 1yu1A1 PHE 263 HE2 -0.11 0.01 -0.03 -0.04 7.38 7.20 1yu1A1 PHE 263 HZ -0.06 -0.01 -0.04 -0.04 7.32 7.16 1yu1A1 GLY 264 H -0.91 0.16 0.22 -0.55 8.43 7.35 1yu1A1 GLY 264 HA2 -0.62 0.24 0.58 -0.51 4.01 3.70 1yu1A1 GLY 264 HA3 -0.35 -0.08 0.92 -0.51 4.01 3.99 1yu1A1 THR 265 H -0.13 0.40 -0.19 -0.55 8.28 7.80 1yu1A1 THR 265 HA -0.06 0.14 0.28 -0.75 4.39 4.00 1yu1A1 THR 265 HB 0.02 0.09 -0.09 -0.04 4.32 4.30 1yu1A1 THR 265 HG23 0.02 -0.03 -0.34 -0.04 1.22 0.83 1yu1A1 THR 266 H -0.07 0.39 0.13 -0.55 8.28 8.18 1yu1A1 THR 266 HA -0.10 0.20 0.63 -0.75 4.39 4.37 1yu1A1 THR 266 HB -0.22 -0.05 0.03 -0.04 4.32 4.03 1yu1A1 THR 266 HG23 -0.10 0.02 -0.07 -0.04 1.22 1.02 1yu1A1 GLU 267 H -0.04 0.19 0.16 -0.55 8.60 8.36 1yu1A1 GLU 267 HA 0.04 -0.05 0.33 -0.75 4.29 3.86 1yu1A1 GLU 267 HB2 -0.01 0.03 0.07 -0.04 2.09 2.14 1yu1A1 GLU 267 HB3 0.02 -0.04 0.09 -0.04 1.99 2.02 1yu1A1 GLU 267 HG2 -0.06 0.23 0.07 -0.04 2.34 2.53 1yu1A1 GLU 267 HG3 -0.01 -0.00 0.05 -0.04 2.34 2.33 1yu1A1 ALA 268 H 0.04 0.18 0.21 -0.55 8.40 8.28 1yu1A1 ALA 268 HA 0.00 0.28 0.24 -0.75 4.34 4.10 1yu1A1 ALA 268 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.38 1yu1A1 THR 269 H 0.07 0.19 -0.41 -0.55 8.28 7.58 1yu1A1 THR 269 HA 0.05 0.04 0.66 -0.75 4.39 4.39 1yu1A1 THR 269 HB 0.21 0.08 -0.27 -0.04 4.32 4.29 1yu1A1 THR 269 HG23 0.10 -0.01 -0.13 -0.04 1.22 1.15 1yu1A1 SER 270 H 0.09 0.12 0.06 -0.55 8.46 8.18 1yu1A1 SER 270 HA -0.13 0.19 0.84 -0.75 4.49 4.63 1yu1A1 SER 270 HB2 0.02 -0.10 0.02 -0.04 3.95 3.84 1yu1A1 SER 270 HB3 -0.07 0.06 0.10 -0.04 3.93 3.99 1yu1A1 SER 271 H -0.09 0.61 0.24 -0.55 8.46 8.68 1yu1A1 SER 271 HA 0.35 0.05 0.34 -0.75 4.49 4.48 1yu1A1 SER 271 HB2 -0.05 0.06 0.12 -0.04 3.95 4.04 1yu1A1 SER 271 HB3 0.17 -0.03 0.21 -0.04 3.93 4.23 1yu1A1 GLY 272 H 0.16 0.24 0.00 -0.55 8.43 8.29 1yu1A1 GLY 272 HA2 0.15 0.07 0.33 -0.51 4.01 4.05 1yu1A1 GLY 272 HA3 0.11 -0.00 0.60 -0.51 4.01 4.20 1yu1A1 GLY 273 H 0.09 0.07 0.12 -0.55 8.43 8.16 1yu1A1 GLY 273 HA2 0.03 0.01 0.34 -0.51 4.01 3.88 1yu1A1 GLY 273 HA3 -0.03 0.15 0.29 -0.51 4.01 3.91 1yu1A1 THR 274 H -0.22 0.58 0.31 -0.55 8.28 8.39 1yu1A1 THR 274 HA 0.08 0.16 0.82 -0.75 4.39 4.69 1yu1A1 THR 274 HB -0.04 -0.02 0.09 -0.04 4.32 4.31 1yu1A1 THR 274 HG23 0.02 -0.01 -0.15 -0.04 1.22 1.04 1yu1A1 ASP 275 H -0.88 0.39 0.21 -0.55 8.40 7.57 1yu1A1 ASP 275 HA -2.90 0.05 0.46 -0.75 4.63 1.49 1yu1A1 ASP 275 HB2 -0.47 0.15 -0.33 -0.04 2.71 2.02 1yu1A1 ASP 275 HB3 -0.42 -0.09 -0.05 -0.04 2.70 2.10 1yu1A1 VAL 276 H -0.72 0.25 0.02 -0.55 8.24 7.25 1yu1A1 VAL 276 HA -0.14 0.08 0.60 -0.75 4.13 3.92 1yu1A1 VAL 276 HB 0.18 0.03 0.12 -0.04 2.12 2.41 1yu1A1 VAL 276 HG13 0.07 0.01 -0.02 -0.04 0.97 0.99 1yu1A1 VAL 276 HG23 0.12 -0.03 -0.02 -0.04 0.95 0.97 1yu1A1 PRO 277 HA -0.03 0.14 0.49 -0.51 4.44 4.53 1yu1A1 PRO 277 HB2 -0.05 0.04 -0.01 -0.04 2.28 2.21 1yu1A1 PRO 277 HB3 -0.08 0.00 0.06 -0.04 2.02 1.96 1yu1A1 PRO 277 HG2 -0.07 0.10 -0.01 -0.04 2.03 2.01 1yu1A1 PRO 277 HG3 -0.09 0.02 0.00 -0.04 2.03 1.92 1yu1A1 PRO 277 HD2 -0.09 0.21 0.12 -0.04 3.68 3.87 1yu1A1 PRO 277 HD3 -0.19 -0.02 -0.11 -0.04 3.65 3.28 1yu1A1 THR 278 H -0.03 0.20 -0.21 -0.55 8.28 7.69 1yu1A1 THR 278 HA -0.06 0.30 0.88 -0.75 4.39 4.76 1yu1A1 THR 278 HB -0.09 -0.01 -0.11 -0.04 4.32 4.07 1yu1A1 THR 278 HG23 -0.18 0.04 -0.26 -0.04 1.22 0.79 1yu1A1 THR 279 H -0.10 0.52 0.25 -0.55 8.28 8.40 1yu1A1 THR 279 HA 0.04 0.07 0.55 -0.75 4.39 4.29 1yu1A1 THR 279 HB 0.10 -0.02 0.08 -0.04 4.32 4.44 1yu1A1 THR 279 HG23 0.05 0.07 0.00 -0.04 1.22 1.30 1yu1A1 GLY 280 H 0.06 0.18 0.16 -0.55 8.43 8.28 1yu1A1 GLY 280 HA2 -0.42 -0.00 0.26 -0.51 4.01 3.34 1yu1A1 GLY 280 HA3 -0.14 0.04 0.40 -0.51 4.01 3.81 1yu1A1 VAL 281 H -0.14 0.32 -0.24 -0.55 8.24 7.63 1yu1A1 VAL 281 HA -0.26 0.09 0.82 -0.75 4.13 4.03 1yu1A1 VAL 281 HB -0.12 0.02 -0.22 -0.04 2.12 1.75 1yu1A1 VAL 281 HG13 -0.02 0.06 -0.08 -0.04 0.97 0.89 1yu1A1 VAL 281 HG23 -0.26 0.03 -0.25 -0.04 0.95 0.43 1yu1A1 ASN 282 H 0.24 0.11 0.15 -0.55 8.53 8.47 1yu1A1 ASN 282 HA 0.28 -0.06 0.49 -0.75 4.76 4.72 1yu1A1 ASN 282 HB2 0.12 0.01 0.11 -0.04 2.88 3.08 1yu1A1 ASN 282 HB3 0.11 0.15 0.07 -0.04 2.79 3.08 1yu1A1 ASN 282 HD21 0.12 -0.01 0.04 -0.04 7.03 7.13 1yu1A1 ASN 282 HD22 0.10 0.07 0.03 -0.04 7.74 7.90 1yu1A1 GLY 283 H 0.12 0.10 0.23 -0.55 8.43 8.34 1yu1A1 GLY 283 HA2 -0.04 0.02 0.63 -0.51 4.01 4.11 1yu1A1 GLY 283 HA3 -0.02 0.14 0.48 -0.51 4.01 4.10 1yu1A1 THR 284 H -0.19 0.31 0.17 -0.55 8.28 8.01 1yu1A1 THR 284 HA -0.07 0.08 0.64 -0.75 4.39 4.29 1yu1A1 THR 284 HB -0.24 -0.11 0.16 -0.04 4.32 4.08 1yu1A1 THR 284 HG23 -0.09 0.02 -0.05 -0.04 1.22 1.06 1yu1A1 GLY 285 H -0.03 0.20 0.19 -0.55 8.43 8.24 1yu1A1 GLY 285 HA2 -0.01 0.06 0.31 -0.51 4.01 3.85 1yu1A1 GLY 285 HA3 -0.03 -0.03 0.57 -0.51 4.01 4.01 1yu1A1 ALA 286 H -0.00 0.24 -0.42 -0.55 8.40 7.68 1yu1A1 ALA 286 HA 0.05 0.16 0.03 -0.75 4.34 3.82 1yu1A1 ALA 286 HB3 0.08 0.01 0.07 -0.04 1.41 1.52 1yu1A1 THR 287 H 0.08 0.38 0.36 -0.55 8.28 8.56 1yu1A1 THR 287 HA 0.03 0.14 0.87 -0.75 4.39 4.68 1yu1A1 THR 287 HB 0.03 -0.03 0.15 -0.04 4.32 4.43 1yu1A1 THR 287 HG23 0.04 0.00 0.04 -0.04 1.22 1.26 1yu1A1 SER 288 H 0.11 0.37 0.14 -0.55 8.46 8.53 1yu1A1 SER 288 HA -0.02 0.10 0.64 -0.75 4.49 4.46 1yu1A1 SER 288 HB2 0.23 0.03 -0.00 -0.04 3.95 4.17 1yu1A1 SER 288 HB3 -0.16 0.00 -0.03 -0.04 3.93 3.70 1yu1A1 ALA 289 H -0.08 0.13 0.06 -0.55 8.40 7.97 1yu1A1 ALA 289 HA 0.08 0.08 0.48 -0.75 4.34 4.23 1yu1A1 ALA 289 HB3 -0.15 0.02 0.07 -0.04 1.41 1.30 1yu1A1 TRP 290 H 0.31 0.13 0.08 -0.55 7.97 7.93 1yu1A1 TRP 290 HA 0.26 0.14 0.26 -0.75 4.62 4.53 1yu1A1 TRP 290 HB2 0.16 -0.01 -0.16 -0.04 3.23 3.18 1yu1A1 TRP 290 HB3 0.12 0.06 -0.43 -0.04 3.23 2.94 1yu1A1 TRP 290 HD1 0.07 -0.12 0.01 -0.04 7.22 7.14 1yu1A1 TRP 290 HE1 0.08 0.03 0.02 -0.04 10.20 10.29 1yu1A1 TRP 290 HE3 0.14 -0.11 -0.40 -0.04 7.59 7.18 1yu1A1 TRP 290 HZ2 0.05 0.09 -0.06 -0.04 7.44 7.47 1yu1A1 TRP 290 HZ3 0.08 0.01 -0.15 -0.04 7.13 7.04 1yu1A1 TRP 290 HH2 0.02 -0.03 -0.38 -0.04 7.19 6.75 1yu1A1 ASN 291 H -1.19 0.07 -0.30 -0.55 8.53 6.56 1yu1A1 ASN 291 HA -0.65 0.06 0.23 -0.75 4.76 3.64 1yu1A1 ASN 291 HB2 -0.74 0.18 -0.22 -0.04 2.88 2.05 1yu1A1 ASN 291 HB3 -2.30 0.02 -0.11 -0.04 2.79 0.36 1yu1A1 ASN 291 HD21 -0.33 -0.09 -0.07 -0.04 7.03 6.50 1yu1A1 ASN 291 HD22 -0.38 0.67 0.06 -0.04 7.74 8.04 1yu1A1 ILE 292 H -0.41 0.25 -0.49 -0.55 8.25 7.05 1yu1A1 ILE 292 HA -0.36 0.18 0.45 -0.75 4.18 3.70 1yu1A1 ILE 292 HB -0.71 0.31 -0.02 -0.04 1.89 1.42 1yu1A1 ILE 292 HG12 -0.32 -0.10 -0.02 -0.04 1.49 1.00 1yu1A1 ILE 292 HG13 -0.28 -0.10 0.03 -0.04 1.21 0.82 1yu1A1 ILE 292 HG23 -1.01 -0.00 -0.18 -0.04 0.93 -0.31 1yu1A1 ILE 292 HD13 -0.24 0.04 0.01 -0.04 0.88 0.64 1yu1A1 PHE 293 H -0.09 0.42 -0.37 -0.55 8.34 7.75 1yu1A1 PHE 293 HA -0.02 0.08 0.73 -0.75 4.62 4.66 1yu1A1 PHE 293 HB2 0.11 0.02 0.12 -0.04 3.15 3.36 1yu1A1 PHE 293 HB3 0.05 -0.16 0.16 -0.04 3.06 3.07 1yu1A1 PHE 293 HD2 0.05 -0.02 -0.12 -0.04 7.28 7.15 1yu1A1 PHE 293 HE2 0.02 0.08 -0.34 -0.04 7.38 7.09 1yu1A1 PHE 293 HZ 0.01 0.06 -0.70 -0.04 7.32 6.66 1yu1A1 THR 294 H -0.03 0.30 -0.25 -0.55 8.28 7.75 1yu1A1 THR 294 HA 0.13 0.31 0.82 -0.75 4.39 4.90 1yu1A1 THR 294 HB -0.04 -0.09 0.05 -0.04 4.32 4.20 1yu1A1 THR 294 HG23 0.09 0.10 -0.20 -0.04 1.22 1.16 1yu1A1 SER 295 H 0.06 0.50 0.22 -0.55 8.46 8.69 1yu1A1 SER 295 HA -0.07 0.04 0.26 -0.75 4.49 3.97 1yu1A1 SER 295 HB2 0.06 0.21 -0.12 -0.04 3.95 4.06 1yu1A1 SER 295 HB3 0.05 0.06 0.15 -0.04 3.93 4.14 1yu1A1 LYS 296 H -0.21 0.81 0.45 -0.55 8.42 8.91 1yu1A1 LYS 296 HA -0.27 0.18 0.56 -0.75 4.32 4.04 1yu1A1 LYS 296 HB2 -0.42 0.04 0.13 -0.04 1.87 1.58 1yu1A1 LYS 296 HB3 -1.15 0.04 0.12 -0.04 1.79 0.77 1yu1A1 LYS 296 HG2 -1.61 -0.07 -0.17 -0.04 1.46 -0.43 1yu1A1 LYS 296 HG3 -0.49 0.11 0.09 -0.04 1.46 1.13 1yu1A1 LYS 296 HD2 -0.26 0.02 -0.02 -0.04 1.69 1.39 1yu1A1 LYS 296 HD3 -1.56 -0.03 -0.02 -0.04 1.68 0.04 1yu1A1 LYS 296 HE2 -0.34 -0.05 -0.00 -0.04 2.99 2.56 1yu1A1 LYS 296 HE3 -0.21 0.03 0.01 -0.04 2.99 2.78 1yu1A1 TRP 297 H 0.05 0.14 -0.29 -0.55 7.97 7.31 1yu1A1 TRP 297 HA -0.02 0.15 0.68 -0.75 4.62 4.68 1yu1A1 TRP 297 HB2 -0.15 0.08 0.04 -0.04 3.23 3.15 1yu1A1 TRP 297 HB3 -0.21 0.04 -0.05 -0.04 3.23 2.97 1yu1A1 TRP 297 HD1 -2.12 0.04 0.11 -0.04 7.22 5.21 1yu1A1 TRP 297 HE1 -0.80 0.03 0.07 -0.04 10.20 9.46 1yu1A1 TRP 297 HE3 -0.09 0.12 0.06 -0.04 7.59 7.63 1yu1A1 TRP 297 HZ2 -0.20 0.02 0.04 -0.04 7.44 7.26 1yu1A1 TRP 297 HZ3 0.01 0.21 0.13 -0.04 7.13 7.43 1yu1A1 TRP 297 HH2 -0.21 0.00 0.02 -0.04 7.19 6.96 1yu1A1 GLY 298 H 0.08 0.40 -0.37 -0.55 8.43 8.00 1yu1A1 GLY 298 HA2 0.09 0.07 0.18 -0.51 4.01 3.84 1yu1A1 GLY 298 HA3 0.15 0.07 0.52 -0.51 4.01 4.23 1yu1A1 VAL 299 H 0.12 -0.03 -0.15 -0.55 8.24 7.64 1yu1A1 VAL 299 HA 0.04 0.15 0.59 -0.75 4.13 4.15 1yu1A1 VAL 299 HB 0.08 -0.10 0.16 -0.04 2.12 2.21 1yu1A1 VAL 299 HG13 0.06 0.05 -0.20 -0.04 0.97 0.84 1yu1A1 VAL 299 HG23 0.09 -0.01 -0.08 -0.04 0.95 0.91 1yu1A1 VAL 300 H -0.04 0.66 0.34 -0.55 8.24 8.65 1yu1A1 VAL 300 HA 0.24 -0.02 0.57 -0.75 4.13 4.17 1yu1A1 VAL 300 HB -0.06 0.16 0.12 -0.04 2.12 2.29 1yu1A1 VAL 300 HG13 0.35 -0.04 -0.10 -0.04 0.97 1.14 1yu1A1 VAL 300 HG23 0.17 0.04 -0.07 -0.04 0.95 1.05 1yu1A1 GLN 301 H 0.34 0.11 -0.00 -0.55 8.47 8.38 1yu1A1 GLN 301 HA 0.27 0.03 0.31 -0.75 4.36 4.22 1yu1A1 GLN 301 HB2 0.18 0.13 0.02 -0.04 2.15 2.44 1yu1A1 GLN 301 HB3 0.12 -0.06 0.17 -0.04 2.02 2.22 1yu1A1 GLN 301 HG2 0.28 0.04 0.04 -0.04 2.40 2.72 1yu1A1 GLN 301 HG3 0.36 -0.07 -0.04 -0.04 2.39 2.60 1yu1A1 GLN 301 HE21 0.08 0.40 0.16 -0.04 6.97 7.56 1yu1A1 GLN 301 HE22 0.18 0.03 0.05 -0.04 7.69 7.90 1yu1A1 ALA 302 H 0.18 0.59 0.02 -0.55 8.40 8.65 1yu1A1 ALA 302 HA 0.09 0.08 0.05 -0.75 4.34 3.81 1yu1A1 ALA 302 HB3 0.04 -0.00 -0.00 -0.04 1.41 1.40 1yu1A1 SER 303 H 0.09 0.17 -0.13 -0.55 8.46 8.04 1yu1A1 SER 303 HA 0.05 0.16 0.55 -0.75 4.49 4.49 1yu1A1 SER 303 HB2 0.05 0.00 0.13 -0.04 3.95 4.09 1yu1A1 SER 303 HB3 0.11 0.03 -0.33 -0.04 3.93 3.70 1yu1A1 GLY 304 H -0.27 0.47 -0.05 -0.55 8.43 8.03 1yu1A1 GLY 304 HA2 -0.36 -0.06 0.04 -0.51 4.01 3.13 1yu1A1 GLY 304 HA3 -0.55 0.19 0.20 -0.51 4.01 3.34 1yu1A1 CYS 305 H -0.27 0.23 -0.51 -0.55 8.50 7.41 1yu1A1 CYS 305 HA -0.04 0.05 0.81 -0.75 4.58 4.64 1yu1A1 CYS 305 HB2 -0.05 0.16 0.02 -0.04 2.97 3.06 1yu1A1 CYS 305 HB3 0.05 -0.02 -0.00 -0.04 2.97 2.96 1yu1A1 LEU 306 H -0.05 0.33 0.08 -0.55 8.37 8.19 1yu1A1 LEU 306 HA -0.17 -0.01 0.57 -0.75 4.35 3.99 1yu1A1 LEU 306 HB2 0.04 0.01 -0.01 -0.04 1.64 1.64 1yu1A1 LEU 306 HB3 -0.01 0.11 -0.11 -0.04 1.64 1.59 1yu1A1 LEU 306 HG 0.27 -0.05 0.11 -0.04 1.64 1.93 1yu1A1 LEU 306 HD13 0.20 -0.00 -0.20 -0.04 0.93 0.88 1yu1A1 LEU 306 HD23 0.16 -0.01 -0.23 -0.04 0.89 0.77 1yu1A1 TRP 307 H -0.20 0.25 0.05 -0.55 7.97 7.52 1yu1A1 TRP 307 HA -0.24 0.16 0.48 -0.75 4.62 4.26 1yu1A1 TRP 307 HB2 -0.44 -0.01 0.08 -0.04 3.23 2.82 1yu1A1 TRP 307 HB3 -0.47 0.02 -0.09 -0.04 3.23 2.65 1yu1A1 TRP 307 HD1 -0.39 0.11 -0.11 -0.04 7.22 6.79 1yu1A1 TRP 307 HE1 -0.33 -0.01 -0.10 -0.04 10.20 9.71 1yu1A1 TRP 307 HE3 -0.35 0.13 -0.66 -0.04 7.59 6.67 1yu1A1 TRP 307 HZ2 -0.20 0.04 -0.11 -0.04 7.44 7.12 1yu1A1 TRP 307 HZ3 -0.21 0.12 -0.46 -0.04 7.13 6.53 1yu1A1 TRP 307 HH2 -0.13 0.08 -0.24 -0.04 7.19 6.86 1yu1A1 THR 308 H -0.02 0.52 0.32 -0.55 8.28 8.55 1yu1A1 THR 308 HA -0.14 0.22 0.63 -0.75 4.39 4.34 1yu1A1 THR 308 HB 0.08 0.03 -0.02 -0.04 4.32 4.36 1yu1A1 THR 308 HG23 0.13 0.03 0.06 -0.04 1.22 1.40 1yu1A1 TRP 309 H -0.20 0.50 0.25 -0.55 7.97 7.97 1yu1A1 TRP 309 HA -0.21 0.15 0.70 -0.75 4.62 4.50 1yu1A1 TRP 309 HB2 -0.21 -0.05 0.16 -0.04 3.23 3.09 1yu1A1 TRP 309 HB3 0.06 0.05 0.07 -0.04 3.23 3.37 1yu1A1 TRP 309 HD1 -0.69 0.00 -0.04 -0.04 7.22 6.46 1yu1A1 TRP 309 HE1 0.09 0.37 -0.13 -0.04 10.20 10.49 1yu1A1 TRP 309 HE3 -0.11 0.22 0.06 -0.04 7.59 7.72 1yu1A1 TRP 309 HZ2 0.07 0.28 0.05 -0.04 7.44 7.80 1yu1A1 TRP 309 HZ3 -0.21 0.17 -0.05 -0.04 7.13 7.00 1yu1A1 TRP 309 HH2 -0.02 0.06 -0.11 -0.04 7.19 7.08 1yu1A1 GLY 310 H 0.00 0.50 0.27 -0.55 8.43 8.65 1yu1A1 GLY 310 HA2 0.16 0.30 0.86 -0.51 4.01 4.82 1yu1A1 GLY 310 HA3 -0.19 -0.09 0.27 -0.51 4.01 3.49 1yu1A1 ASN 311 H 0.18 0.56 -0.14 -0.55 8.53 8.58 1yu1A1 ASN 311 HA 0.31 0.13 0.64 -0.75 4.76 5.08 1yu1A1 ASN 311 HB2 0.15 0.08 -0.07 -0.04 2.88 2.99 1yu1A1 ASN 311 HB3 0.15 -0.06 -0.02 -0.04 2.79 2.83 1yu1A1 ASN 311 HD21 0.15 0.00 0.04 -0.04 7.03 7.19 1yu1A1 ASN 311 HD22 0.13 -0.03 0.05 -0.04 7.74 7.86 1yu1A1 GLU 312 H -0.23 0.36 -0.42 -0.55 8.60 7.76 1yu1A1 GLU 312 HA 0.13 0.16 0.82 -0.75 4.29 4.64 1yu1A1 GLU 312 HB2 0.20 -0.11 -0.14 -0.04 2.09 1.99 1yu1A1 GLU 312 HB3 0.25 0.01 -0.13 -0.04 1.99 2.08 1yu1A1 GLU 312 HG2 0.45 0.04 -0.01 -0.04 2.34 2.77 1yu1A1 GLU 312 HG3 0.24 0.10 0.12 -0.04 2.34 2.76 1yu1A1 PHE 313 H 0.28 0.21 0.19 -0.55 8.34 8.47 1yu1A1 PHE 313 HA 0.04 0.33 1.06 -0.75 4.62 5.29 1yu1A1 PHE 313 HB2 -0.05 -0.06 0.04 -0.04 3.15 3.05 1yu1A1 PHE 313 HB3 -0.09 0.06 -0.05 -0.04 3.06 2.94 1yu1A1 PHE 313 HD2 -0.22 0.12 -0.27 -0.04 7.28 6.87 1yu1A1 PHE 313 HE2 -0.68 -0.04 -0.08 -0.04 7.38 6.54 1yu1A1 PHE 313 HZ -2.75 -0.04 -0.05 -0.04 7.32 4.44 1yu1A1 GLY 314 H 0.28 0.70 0.15 -0.55 8.43 9.02 1yu1A1 GLY 314 HA2 0.05 0.04 0.38 -0.51 4.01 3.97 1yu1A1 GLY 314 HA3 -0.04 0.05 0.37 -0.51 4.01 3.89 1yu1A1 GLY 315 H -0.09 0.12 0.14 -0.55 8.43 8.05 1yu1A1 GLY 315 HA2 -0.05 -0.02 0.35 -0.51 4.01 3.78 1yu1A1 GLY 315 HA3 0.14 0.27 0.85 -0.51 4.01 4.76 1yu1A1 VAL 316 H 0.08 0.49 0.33 -0.55 8.24 8.59 1yu1A1 VAL 316 HA 0.00 0.01 0.46 -0.75 4.13 3.84 1yu1A1 VAL 316 HB -0.05 0.02 0.25 -0.04 2.12 2.29 1yu1A1 VAL 316 HG13 -0.06 0.01 -0.06 -0.04 0.97 0.82 1yu1A1 VAL 316 HG23 0.17 -0.01 0.10 -0.04 0.95 1.17 1yu1A1 ASN 317 H -0.04 0.08 0.18 -0.55 8.53 8.21 1yu1A1 ASN 317 HA -0.05 0.20 0.57 -0.75 4.76 4.73 1yu1A1 ASN 317 HB2 -0.05 -0.06 -0.01 -0.04 2.88 2.72 1yu1A1 ASN 317 HB3 -0.06 0.03 -0.28 -0.04 2.79 2.43 1yu1A1 ASN 317 HD21 -0.02 -0.02 -0.00 -0.04 7.03 6.95 1yu1A1 ASN 317 HD22 -0.03 -0.05 -0.00 -0.04 7.74 7.61 1yu1A1 GLY 318 H -0.08 0.59 0.06 -0.55 8.43 8.45 1yu1A1 GLY 318 HA2 -0.10 0.10 0.62 -0.51 4.01 4.12 1yu1A1 GLY 318 HA3 -0.09 -0.05 0.36 -0.51 4.01 3.72 1yu1A1 ALA 319 H -0.10 0.08 0.13 -0.55 8.40 7.96 1yu1A1 ALA 319 HA -0.13 0.10 0.30 -0.75 4.34 3.85 1yu1A1 ALA 319 HB3 -0.12 0.03 0.05 -0.04 1.41 1.33 1yu1A1 SER 320 H -0.21 0.19 0.11 -0.55 8.46 8.00 1yu1A1 SER 320 HA -0.87 0.02 0.74 -0.75 4.49 3.63 1yu1A1 SER 320 HB2 -0.16 0.00 0.21 -0.04 3.95 3.95 1yu1A1 SER 320 HB3 -0.17 0.03 0.18 -0.04 3.93 3.92 1yu1A1 GLU 321 H -0.65 0.49 -0.30 -0.55 8.60 7.60 1yu1A1 GLU 321 HA -0.27 0.09 0.42 -0.75 4.29 3.78 1yu1A1 GLU 321 HB2 -0.04 0.03 0.05 -0.04 2.09 2.08 1yu1A1 GLU 321 HB3 -0.14 0.09 -0.13 -0.04 1.99 1.77 1yu1A1 GLU 321 HG2 -0.16 -0.15 -0.18 -0.04 2.34 1.81 1yu1A1 GLU 321 HG3 -0.07 0.09 -0.34 -0.04 2.34 1.98 1yu1A1 TYR 322 H 0.16 0.12 0.08 -0.55 8.29 8.10 1yu1A1 TYR 322 HA 0.12 0.18 0.36 -0.75 4.56 4.47 1yu1A1 TYR 322 HB2 0.08 -0.00 0.13 -0.04 3.06 3.22 1yu1A1 TYR 322 HB3 0.05 -0.03 -0.06 -0.04 2.98 2.90 1yu1A1 TYR 322 HD2 0.09 -0.01 -0.13 -0.04 7.15 7.06 1yu1A1 TYR 322 HE2 -0.04 0.04 -0.07 -0.04 6.85 6.74 1yu1A1 THR 323 H 0.12 0.46 0.38 -0.55 8.28 8.69 1yu1A1 THR 323 HA 0.04 0.14 0.88 -0.75 4.39 4.69 1yu1A1 THR 323 HB -0.00 -0.05 0.25 -0.04 4.32 4.47 1yu1A1 THR 323 HG23 -0.00 -0.02 -0.10 -0.04 1.22 1.06 1yu1A1 ALA 324 H 0.03 0.25 0.10 -0.55 8.40 8.24 1yu1A1 ALA 324 HA 0.01 0.17 0.55 -0.75 4.34 4.32 1yu1A1 ALA 324 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 1yu1A1 ASN 325 H 0.01 0.36 0.25 -0.55 8.53 8.60 1yu1A1 ASN 325 HA 0.01 0.22 0.90 -0.75 4.76 5.14 1yu1A1 ASN 325 HB2 0.05 0.01 0.17 -0.04 2.88 3.06 1yu1A1 ASN 325 HB3 0.02 0.03 -0.13 -0.04 2.79 2.67 1yu1A1 ASN 325 HD21 0.01 -0.00 0.00 -0.04 7.03 7.00 1yu1A1 ASN 325 HD22 0.01 0.01 -0.03 -0.04 7.74 7.70 1yu1A1 THR 326 H -0.05 0.16 -0.01 -0.55 8.28 7.83 1yu1A1 THR 326 HA -0.21 0.23 0.66 -0.75 4.39 4.30 1yu1A1 THR 326 HB -0.52 0.09 0.07 -0.04 4.32 3.91 1yu1A1 THR 326 HG23 -0.12 -0.01 -0.16 -0.04 1.22 0.90 1yu1A1 GLY 327 H -0.03 0.14 -0.31 -0.55 8.43 7.69 1yu1A1 GLY 327 HA2 -0.01 0.05 0.26 -0.51 4.01 3.81 1yu1A1 GLY 327 HA3 -0.02 0.14 0.51 -0.51 4.01 4.12 1yu1A1 GLY 328 H -0.04 -0.08 -0.18 -0.55 8.43 7.58 1yu1A1 GLY 328 HA2 -0.02 -0.02 0.24 -0.51 4.01 3.69 1yu1A1 GLY 328 HA3 -0.02 0.19 0.53 -0.51 4.01 4.20 1yu1A1 ARG 329 H -0.08 -0.00 -0.30 -0.55 8.46 7.53 1yu1A1 ARG 329 HA -0.04 0.24 0.81 -0.75 4.34 4.59 1yu1A1 ARG 329 HB2 -0.15 0.04 0.02 -0.04 1.90 1.78 1yu1A1 ARG 329 HB3 -0.07 -0.00 0.13 -0.04 1.80 1.82 1yu1A1 ARG 329 HG2 -0.03 0.08 -0.26 -0.04 1.67 1.42 1yu1A1 ARG 329 HG3 -0.06 0.05 -0.41 -0.04 1.67 1.21 1yu1A1 ARG 329 HD2 -0.08 -0.02 -0.03 -0.04 3.22 3.05 1yu1A1 ARG 329 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.12 1yu1A1 GLY 330 H -0.04 0.02 -0.18 -0.55 8.43 7.68 1yu1A1 GLY 330 HA2 -0.04 0.03 0.25 -0.51 4.01 3.75 1yu1A1 GLY 330 HA3 -0.04 0.28 0.82 -0.51 4.01 4.56 1yu1A1 SER 331 H 0.00 0.23 0.14 -0.55 8.46 8.29 1yu1A1 SER 331 HA 0.04 0.18 0.89 -0.75 4.49 4.85 1yu1A1 SER 331 HB2 0.13 0.04 -0.08 -0.04 3.95 3.99 1yu1A1 SER 331 HB3 0.18 -0.10 -0.22 -0.04 3.93 3.75 1yu1A1 VAL 332 H 0.08 0.48 0.37 -0.55 8.24 8.62 1yu1A1 VAL 332 HA 0.10 0.25 0.92 -0.75 4.13 4.64 1yu1A1 VAL 332 HB 0.00 0.02 0.07 -0.04 2.12 2.17 1yu1A1 VAL 332 HG13 0.05 0.01 -0.14 -0.04 0.97 0.86 1yu1A1 VAL 332 HG23 0.01 0.01 -0.01 -0.04 0.95 0.91 1yu1A1 TYR 333 H 0.06 0.31 0.07 -0.55 8.29 8.18 1yu1A1 TYR 333 HA -0.18 0.22 0.79 -0.75 4.56 4.64 1yu1A1 TYR 333 HB2 -0.63 -0.04 -0.36 -0.04 3.06 2.00 1yu1A1 TYR 333 HB3 -0.25 0.05 -0.01 -0.04 2.98 2.72 1yu1A1 TYR 333 HD2 -0.72 -0.00 -0.36 -0.04 7.15 6.02 1yu1A1 TYR 333 HE2 -0.19 0.01 -0.11 -0.04 6.85 6.51 1yu1A1 ALA 334 H -0.37 0.53 0.21 -0.55 8.40 8.21 1yu1A1 ALA 334 HA -0.14 0.24 0.04 -0.75 4.34 3.73 1yu1A1 ALA 334 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 1yu1A1 GLN 335 H -0.09 0.02 -0.25 -0.55 8.47 7.61 1yu1A1 GLN 335 HA -0.09 0.17 0.19 -0.75 4.36 3.88 1yu1A1 GLN 335 HB2 -0.05 -0.09 -0.04 -0.04 2.15 1.93 1yu1A1 GLN 335 HB3 -0.06 -0.13 0.08 -0.04 2.02 1.87 1yu1A1 GLN 335 HG2 -0.06 -0.14 -0.03 -0.04 2.40 2.13 1yu1A1 GLN 335 HG3 -0.09 0.19 -0.28 -0.04 2.39 2.17 1yu1A1 GLN 335 HE21 -0.73 -0.07 -0.03 -0.04 6.97 6.10 1yu1A1 GLN 335 HE22 -0.17 0.63 -0.03 -0.04 7.69 8.08 1yu1A1 PRO 336 HA -0.01 0.10 0.35 -0.51 4.44 4.37 1yu1A1 PRO 336 HB2 0.13 -0.01 -0.10 -0.04 2.28 2.26 1yu1A1 PRO 336 HB3 0.02 0.03 -0.01 -0.04 2.02 2.02 1yu1A1 PRO 336 HG2 -0.10 -0.01 0.00 -0.04 2.03 1.88 1yu1A1 PRO 336 HG3 -0.05 0.04 0.00 -0.04 2.03 1.98 1yu1A1 PRO 336 HD2 -0.16 -0.02 0.19 -0.04 3.68 3.65 1yu1A1 PRO 336 HD3 -0.07 0.32 0.24 -0.04 3.65 4.10 1yu1A1 ALA 337 H 0.03 0.38 -0.12 -0.55 8.40 8.14 1yu1A1 ALA 337 HA -0.03 -0.07 0.23 -0.75 4.34 3.71 1yu1A1 ALA 337 HB3 0.01 0.10 -0.35 -0.04 1.41 1.12 1yu1A1 ALA 338 H -0.11 0.26 0.23 -0.55 8.40 8.24 1yu1A1 ALA 338 HA -0.85 0.18 0.93 -0.75 4.34 3.84 1yu1A1 ALA 338 HB3 -0.77 -0.00 0.16 -0.04 1.41 0.76 1yu1A1 ALA 339 H -0.64 0.61 0.27 -0.55 8.40 8.09 1yu1A1 ALA 339 HA -1.39 0.06 0.34 -0.75 4.34 2.59 1yu1A1 ALA 339 HB3 -1.60 -0.04 -0.01 -0.04 1.41 -0.29 1yu1A1 LEU 340 H -1.22 0.31 0.31 -0.55 8.37 7.23 1yu1A1 LEU 340 HA -0.62 0.34 0.76 -0.75 4.35 4.07 1yu1A1 LEU 340 HB2 -1.09 -0.02 0.22 -0.04 1.64 0.71 1yu1A1 LEU 340 HB3 -0.94 -0.09 -0.03 -0.04 1.64 0.53 1yu1A1 LEU 340 HG -0.65 0.22 -0.23 -0.04 1.64 0.94 1yu1A1 LEU 340 HD13 -0.94 -0.05 -0.04 -0.04 0.93 -0.15 1yu1A1 LEU 340 HD23 -1.16 0.01 -0.16 -0.04 0.89 -0.47 1yu1A1 PHE 341 H -0.23 0.62 0.27 -0.55 8.34 8.45 1yu1A1 PHE 341 HA -0.27 0.34 1.04 -0.75 4.62 4.98 1yu1A1 PHE 341 HB2 -0.92 0.05 0.05 -0.04 3.15 2.29 1yu1A1 PHE 341 HB3 -2.00 0.08 -0.03 -0.04 3.06 1.07 1yu1A1 PHE 341 HD2 -0.39 0.18 -0.11 -0.04 7.28 6.92 1yu1A1 PHE 341 HE2 -0.59 0.03 -0.18 -0.04 7.38 6.61 1yu1A1 PHE 341 HZ -0.16 -0.11 -0.13 -0.04 7.32 6.88 1yu1A1 GLY 342 H -0.01 0.52 0.15 -0.55 8.43 8.55 1yu1A1 GLY 342 HA2 0.23 0.24 0.50 -0.51 4.01 4.46 1yu1A1 GLY 342 HA3 0.03 0.28 0.61 -0.51 4.01 4.42 1yu1A1 GLY 343 H -1.44 0.10 -0.42 -0.55 8.43 6.12 1yu1A1 GLY 343 HA2 -2.91 -0.02 0.18 -0.51 4.01 0.75 1yu1A1 GLY 343 HA3 -0.88 0.12 0.57 -0.51 4.01 3.31 1yu1A1 ASN 344 H -1.07 0.07 -0.06 -0.55 8.53 6.92 1yu1A1 ASN 344 HA -0.49 0.22 0.06 -0.75 4.76 3.80 1yu1A1 ASN 344 HB2 -0.78 0.14 0.17 -0.04 2.88 2.36 1yu1A1 ASN 344 HB3 -0.65 -0.02 -0.01 -0.04 2.79 2.07 1yu1A1 ASN 344 HD21 -0.29 0.02 -0.09 -0.04 7.03 6.64 1yu1A1 ASN 344 HD22 -0.24 0.07 -0.02 -0.04 7.74 7.50 1yu1A1 TRP 345 H -0.25 0.37 0.08 -0.55 7.97 7.63 1yu1A1 TRP 345 HA -0.14 0.06 0.38 -0.75 4.62 4.16 1yu1A1 TRP 345 HB2 -0.03 0.26 -0.06 -0.04 3.23 3.35 1yu1A1 TRP 345 HB3 -0.07 0.10 0.07 -0.04 3.23 3.29 1yu1A1 TRP 345 HD1 -0.01 0.15 -0.67 -0.04 7.22 6.65 1yu1A1 TRP 345 HE1 0.01 0.06 -0.18 -0.04 10.20 10.05 1yu1A1 TRP 345 HE3 -0.05 0.34 0.09 -0.04 7.59 7.93 1yu1A1 TRP 345 HZ2 0.03 0.03 -0.08 -0.04 7.44 7.37 1yu1A1 TRP 345 HZ3 0.00 0.15 0.08 -0.04 7.13 7.31 1yu1A1 TRP 345 HH2 0.04 0.06 -0.31 -0.04 7.19 6.94 1yu1A1 SER 346 H -0.75 0.03 -0.41 -0.55 8.46 6.78 1yu1A1 SER 346 HA 0.07 0.21 0.56 -0.75 4.49 4.57 1yu1A1 SER 346 HB2 -0.03 0.05 0.10 -0.04 3.95 4.03 1yu1A1 SER 346 HB3 -0.24 0.05 -0.04 -0.04 3.93 3.66 1yu1A1 ASN 347 H -0.16 0.44 -0.44 -0.55 8.53 7.82 1yu1A1 ASN 347 HA -0.02 0.17 0.33 -0.75 4.76 4.49 1yu1A1 ASN 347 HB2 -0.32 0.19 -0.00 -0.04 2.88 2.70 1yu1A1 ASN 347 HB3 -0.13 -0.02 -0.06 -0.04 2.79 2.54 1yu1A1 ASN 347 HD21 0.18 0.01 -0.09 -0.04 7.03 7.08 1yu1A1 ASN 347 HD22 0.05 0.04 -0.03 -0.04 7.74 7.76 1yu1A1 THR 348 H -0.00 0.10 -0.31 -0.55 8.28 7.53 1yu1A1 THR 348 HA 0.02 0.08 0.23 -0.75 4.39 3.97 1yu1A1 THR 348 HB 0.06 0.08 -0.25 -0.04 4.32 4.17 1yu1A1 THR 348 HG23 0.13 -0.09 -0.09 -0.04 1.22 1.13 1yu1A1 SER 349 H -0.10 0.11 0.11 -0.55 8.46 8.04 1yu1A1 SER 349 HA -0.06 0.35 0.31 -0.75 4.49 4.33 1yu1A1 SER 349 HB2 -0.13 0.07 0.21 -0.04 3.95 4.07 1yu1A1 SER 349 HB3 -0.10 -0.04 0.14 -0.04 3.93 3.89 1yu1A1 HIS 350 H 0.00 0.50 -0.45 -0.55 8.41 7.91 1yu1A1 HIS 350 HA 0.03 0.14 0.60 -0.75 4.63 4.64 1yu1A1 HIS 350 HB2 0.00 0.11 0.02 -0.04 3.26 3.36 1yu1A1 HIS 350 HB3 0.06 -0.08 0.06 -0.04 3.20 3.19 1yu1A1 HIS 350 HD2 0.04 0.01 -0.04 -0.04 6.97 6.93 1yu1A1 HIS 350 HE1 0.00 -0.01 -0.05 -0.04 7.75 7.65 1yu1A1 SER 351 H -0.03 0.23 -0.38 -0.55 8.46 7.74 1yu1A1 SER 351 HA -0.16 0.01 0.46 -0.75 4.49 4.05 1yu1A1 SER 351 HB2 -0.08 0.18 -0.29 -0.04 3.95 3.72 1yu1A1 SER 351 HB3 -0.17 0.06 0.13 -0.04 3.93 3.91 1yu1A1 GLY 352 H -0.01 0.56 0.30 -0.55 8.43 8.73 1yu1A1 GLY 352 HA2 0.08 0.15 0.26 -0.51 4.01 3.99 1yu1A1 GLY 352 HA3 0.08 0.05 0.70 -0.51 4.01 4.33 1yu1A1 SER 353 H 0.11 0.18 0.08 -0.55 8.46 8.28 1yu1A1 SER 353 HA 0.22 0.19 0.32 -0.75 4.49 4.46 1yu1A1 SER 353 HB2 0.07 0.08 -0.02 -0.04 3.95 4.04 1yu1A1 SER 353 HB3 0.05 0.11 -0.16 -0.04 3.93 3.89 1yu1A1 ARG 354 H 0.22 -0.00 -0.41 -0.55 8.46 7.72 1yu1A1 ARG 354 HA 0.49 0.21 0.71 -0.75 4.34 5.01 1yu1A1 ARG 354 HB2 0.19 -0.01 -0.05 -0.04 1.90 2.00 1yu1A1 ARG 354 HB3 0.27 -0.00 0.09 -0.04 1.80 2.12 1yu1A1 ARG 354 HG2 0.10 0.04 -0.04 -0.04 1.67 1.73 1yu1A1 ARG 354 HG3 0.16 -0.07 -0.38 -0.04 1.67 1.35 1yu1A1 ARG 354 HD2 0.10 -0.01 -0.06 -0.04 3.22 3.21 1yu1A1 ARG 354 HD3 0.06 -0.00 -0.03 -0.04 3.22 3.20 1yu1A1 ALA 355 H 0.25 0.25 -0.26 -0.55 8.40 8.09 1yu1A1 ALA 355 HA 0.23 0.11 0.43 -0.75 4.34 4.36 1yu1A1 ALA 355 HB3 0.05 -0.03 -0.05 -0.04 1.41 1.35 1yu1A1 ALA 356 H 0.26 0.23 0.15 -0.55 8.40 8.49 1yu1A1 ALA 356 HA -0.03 0.34 0.92 -0.75 4.34 4.82 1yu1A1 ALA 356 HB3 0.06 0.01 -0.10 -0.04 1.41 1.34 1yu1A1 LEU 357 H -0.62 0.64 0.29 -0.55 8.37 8.15 1yu1A1 LEU 357 HA -0.15 0.14 0.89 -0.75 4.35 4.48 1yu1A1 LEU 357 HB2 -0.68 0.04 -0.04 -0.04 1.64 0.92 1yu1A1 LEU 357 HB3 -1.47 0.02 0.12 -0.04 1.64 0.27 1yu1A1 LEU 357 HG -0.55 -0.14 -0.18 -0.04 1.64 0.72 1yu1A1 LEU 357 HD13 -0.21 -0.00 -0.02 -0.04 0.93 0.66 1yu1A1 LEU 357 HD23 -0.95 0.01 -0.06 -0.04 0.89 -0.15 1yu1A1 TRP 358 H 0.14 0.20 0.02 -0.55 7.97 7.78 1yu1A1 TRP 358 HA -0.19 0.28 0.73 -0.75 4.62 4.68 1yu1A1 TRP 358 HB2 -0.06 -0.05 0.12 -0.04 3.23 3.21 1yu1A1 TRP 358 HB3 -0.08 0.22 0.00 -0.04 3.23 3.34 1yu1A1 TRP 358 HD1 -0.07 0.09 -0.25 -0.04 7.22 6.95 1yu1A1 TRP 358 HE1 -0.05 0.05 -0.16 -0.04 10.20 10.00 1yu1A1 TRP 358 HE3 -0.11 0.29 -0.34 -0.04 7.59 7.39 1yu1A1 TRP 358 HZ2 0.03 -0.00 -0.11 -0.04 7.44 7.32 1yu1A1 TRP 358 HZ3 -0.07 -0.02 -0.54 -0.04 7.13 6.46 1yu1A1 TRP 358 HH2 0.11 -0.06 -0.14 -0.04 7.19 7.06 1yu1A1 TYR 359 H -0.07 0.05 -0.10 -0.55 8.29 7.62 1yu1A1 TYR 359 HA -0.02 0.17 0.96 -0.75 4.56 4.91 1yu1A1 TYR 359 HB2 -0.08 -0.01 -0.11 -0.04 3.06 2.81 1yu1A1 TYR 359 HB3 -0.19 -0.02 -0.00 -0.04 2.98 2.73 1yu1A1 TYR 359 HD2 -0.09 -0.01 -0.07 -0.04 7.15 6.93 1yu1A1 TYR 359 HE2 -0.05 0.00 -0.03 -0.04 6.85 6.73 1yu1A1 VAL 360 H -0.11 0.02 0.08 -0.55 8.24 7.67 1yu1A1 VAL 360 HA -0.07 0.06 0.53 -0.75 4.13 3.89 1yu1A1 VAL 360 HB -0.10 0.09 0.10 -0.04 2.12 2.17 1yu1A1 VAL 360 HG13 0.29 0.06 -0.12 -0.04 0.97 1.16 1yu1A1 VAL 360 HG23 -0.20 -0.03 -0.04 -0.04 0.95 0.64 1yu1A1 GLY 361 H -0.04 0.11 0.20 -0.55 8.43 8.16 1yu1A1 GLY 361 HA2 -0.05 0.20 0.49 -0.51 4.01 4.14 1yu1A1 GLY 361 HA3 -0.03 -0.01 0.33 -0.51 4.01 3.79 1yu1A1 PRO 362 HA -0.66 0.13 0.49 -0.51 4.44 3.89 1yu1A1 PRO 362 HB2 -1.05 -0.04 0.02 -0.04 2.28 1.18 1yu1A1 PRO 362 HB3 -0.89 0.10 0.14 -0.04 2.02 1.33 1yu1A1 PRO 362 HG2 -0.20 -0.02 0.03 -0.04 2.03 1.81 1yu1A1 PRO 362 HG3 -0.32 0.14 0.04 -0.04 2.03 1.86 1yu1A1 PRO 362 HD2 -0.09 0.06 0.17 -0.04 3.68 3.78 1yu1A1 PRO 362 HD3 -0.13 0.31 0.22 -0.04 3.65 4.01 1yu1A1 SER 363 H -0.01 0.08 -0.29 -0.55 8.46 7.70 1yu1A1 SER 363 HA 0.19 0.07 0.62 -0.75 4.49 4.62 1yu1A1 SER 363 HB2 0.10 0.11 0.18 -0.04 3.95 4.31 1yu1A1 SER 363 HB3 0.18 -0.02 0.08 -0.04 3.93 4.12 1yu1A1 ASN 364 H 0.13 0.34 -0.31 -0.55 8.53 8.14 1yu1A1 ASN 364 HA 0.01 0.09 0.42 -0.75 4.76 4.53 1yu1A1 ASN 364 HB2 0.31 0.20 0.03 -0.04 2.88 3.37 1yu1A1 ASN 364 HB3 0.16 -0.03 -0.06 -0.04 2.79 2.82 1yu1A1 ASN 364 HD21 0.09 0.01 -0.01 -0.04 7.03 7.08 1yu1A1 ASN 364 HD22 0.00 0.02 0.01 -0.04 7.74 7.74 1yu1A1 SER 365 H -0.38 0.24 0.12 -0.55 8.46 7.89 1yu1A1 SER 365 HA 0.18 0.24 0.66 -0.75 4.49 4.81 1yu1A1 SER 365 HB2 0.08 0.00 -0.26 -0.04 3.95 3.74 1yu1A1 SER 365 HB3 -0.08 0.07 0.08 -0.04 3.93 3.96 1yu1A1 PHE 366 H 0.14 0.34 0.21 -0.55 8.34 8.48 1yu1A1 PHE 366 HA 0.05 0.22 0.75 -0.75 4.62 4.89 1yu1A1 PHE 366 HB2 -0.10 0.01 -0.03 -0.04 3.15 2.99 1yu1A1 PHE 366 HB3 -0.03 -0.06 0.04 -0.04 3.06 2.97 1yu1A1 PHE 366 HD2 -0.03 -0.01 -0.10 -0.04 7.28 7.10 1yu1A1 PHE 366 HE2 0.01 0.00 -0.05 -0.04 7.38 7.30 1yu1A1 PHE 366 HZ 0.02 0.01 -0.03 -0.04 7.32 7.28 1yu1A1 ALA 367 H 0.25 0.25 0.14 -0.55 8.40 8.49 1yu1A1 ALA 367 HA 0.21 -0.13 0.38 -0.75 4.34 4.04 1yu1A1 ALA 367 HB3 0.29 0.05 0.10 -0.04 1.41 1.82 1yu1A1 GLY 368 H 0.05 0.04 -0.28 -0.55 8.43 7.69 1yu1A1 GLY 368 HA2 0.02 0.29 0.88 -0.51 4.01 4.69 1yu1A1 GLY 368 HA3 -0.52 -0.07 0.34 -0.51 4.01 3.25 1yu1A1 ILE 369 H 0.04 0.37 -0.19 -0.55 8.25 7.91 1yu1A1 ILE 369 HA -0.18 0.17 0.92 -0.75 4.18 4.34 1yu1A1 ILE 369 HB -0.18 -0.08 0.18 -0.04 1.89 1.77 1yu1A1 ILE 369 HG12 -0.47 0.04 -0.13 -0.04 1.49 0.89 1yu1A1 ILE 369 HG13 -0.15 -0.21 -0.40 -0.04 1.21 0.41 1yu1A1 ILE 369 HG23 -1.35 0.03 -0.13 -0.04 0.93 -0.56 1yu1A1 ILE 369 HD13 -0.41 -0.01 -0.11 -0.04 0.88 0.32 1yu1A1 GLY 370 H -0.24 0.64 0.13 -0.55 8.43 8.41 1yu1A1 GLY 370 HA2 -0.48 0.14 0.79 -0.51 4.01 3.95 1yu1A1 GLY 370 HA3 -0.10 0.12 0.46 -0.51 4.01 3.98 1yu1A1 ALA 371 H -0.05 0.31 0.30 -0.55 8.40 8.41 1yu1A1 ALA 371 HA -0.07 0.05 0.85 -0.75 4.34 4.42 1yu1A1 ALA 371 HB3 0.01 0.03 -0.06 -0.04 1.41 1.35 1yu1A1 ARG 372 H 0.10 0.31 0.27 -0.55 8.46 8.59 1yu1A1 ARG 372 HA 0.11 0.13 0.75 -0.75 4.34 4.57 1yu1A1 ARG 372 HB2 0.15 0.01 -0.03 -0.04 1.90 1.99 1yu1A1 ARG 372 HB3 0.20 -0.03 0.07 -0.04 1.80 2.00 1yu1A1 ARG 372 HG2 0.15 0.09 -0.04 -0.04 1.67 1.83 1yu1A1 ARG 372 HG3 0.13 0.07 -0.05 -0.04 1.67 1.77 1yu1A1 ARG 372 HD2 0.16 -0.10 -0.07 -0.04 3.22 3.17 1yu1A1 ARG 372 HD3 0.11 0.26 -0.06 -0.04 3.22 3.49 1yu1A1 GLY 373 H 0.10 0.17 0.15 -0.55 8.43 8.30 1yu1A1 GLY 373 HA2 0.09 0.27 0.78 -0.51 4.01 4.64 1yu1A1 GLY 373 HA3 0.07 -0.00 0.30 -0.51 4.01 3.86 1yu1A1 VAL 374 H 0.10 0.56 0.41 -0.55 8.24 8.76 1yu1A1 VAL 374 HA 0.21 0.17 0.64 -0.75 4.13 4.40 1yu1A1 VAL 374 HB 0.28 0.13 0.19 -0.04 2.12 2.69 1yu1A1 VAL 374 HG13 0.23 -0.04 -0.17 -0.04 0.97 0.95 1yu1A1 VAL 374 HG23 0.06 -0.01 -0.22 -0.04 0.95 0.74 1yu1A1 CYS 375 H 0.26 0.46 0.30 -0.55 8.50 8.97 1yu1A1 CYS 375 HA 0.10 0.06 0.16 -0.75 4.58 4.14 1yu1A1 CYS 375 HB2 0.05 0.02 0.08 -0.04 2.97 3.09 1yu1A1 CYS 375 HB3 0.04 -0.08 0.13 -0.04 2.97 3.02 1yu1A1 ASP 376 H 0.10 0.16 0.16 -0.55 8.40 8.26 1yu1A1 ASP 376 HA 0.21 0.07 0.54 -0.75 4.63 4.70 1yu1A1 ASP 376 HB2 0.08 -0.01 0.08 -0.04 2.71 2.82 1yu1A1 ASP 376 HB3 0.12 0.19 0.09 -0.04 2.70 3.06 1yu1A1 HIS 377 H 0.30 0.24 0.24 -0.55 8.41 8.65 1yu1A1 HIS 377 HA 0.53 0.14 0.68 -0.75 4.63 5.23 1yu1A1 HIS 377 HB2 -0.01 -0.13 -0.30 -0.04 3.26 2.78 1yu1A1 HIS 377 HB3 0.03 0.08 -0.03 -0.04 3.20 3.24 1yu1A1 HIS 377 HD2 -0.04 -0.07 -0.46 -0.04 6.97 6.36 1yu1A1 HIS 377 HE1 -1.74 0.00 -0.18 -0.04 7.75 5.79 1yu1A1 LEU 378 H -0.28 0.60 0.15 -0.55 8.37 8.29 1yu1A1 LEU 378 HA 0.05 0.10 0.83 -0.75 4.35 4.58 1yu1A1 LEU 378 HB2 -0.04 -0.05 -0.21 -0.04 1.64 1.31 1yu1A1 LEU 378 HB3 -0.09 0.08 -0.03 -0.04 1.64 1.56 1yu1A1 LEU 378 HG 0.02 -0.02 -0.33 -0.04 1.64 1.27 1yu1A1 LEU 378 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.85 1yu1A1 LEU 378 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.74 1yu1A1 ILE 379 H 0.11 0.20 0.06 -0.55 8.25 8.07 1yu1A1 ILE 379 HA 0.18 0.38 0.91 -0.75 4.18 4.89 1yu1A1 ILE 379 HB 0.17 -0.09 0.14 -0.04 1.89 2.07 1yu1A1 ILE 379 HG12 0.42 0.09 -0.06 -0.04 1.49 1.89 1yu1A1 ILE 379 HG13 0.39 -0.13 -0.34 -0.04 1.21 1.10 1yu1A1 ILE 379 HG23 0.24 0.02 -0.03 -0.04 0.93 1.12 1yu1A1 ILE 379 HD13 0.20 -0.00 -0.01 -0.04 0.88 1.03 1yu1A1 LEU 380 H 0.16 0.52 0.09 -0.55 8.37 8.59 1yu1A1 LEU 380 HA 0.09 0.17 0.54 -0.75 4.35 4.39 1yu1A1 LEU 380 HB2 0.13 0.02 0.15 -0.04 1.64 1.90 1yu1A1 LEU 380 HB3 0.09 -0.00 0.08 -0.04 1.64 1.76 1yu1A1 LEU 380 HG 0.08 -0.02 -0.26 -0.04 1.64 1.40 1yu1A1 LEU 380 HD13 0.07 0.04 0.03 -0.04 0.93 1.03 1yu1A1 LEU 380 HD23 0.05 0.01 -0.14 -0.04 0.89 0.77