============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TRP 4 1.040 16.726 34.570 41.399 -99.200 -91.000 TRP6 4 1.020 18.773 33.623 40.696 -99.200 -91.000 PHE 14 1.000 24.172 35.978 36.215 -99.200 -91.000 PHE 21 1.000 24.530 37.813 31.214 -99.200 -91.000 HIS 22 0.900 31.045 33.400 33.100 -99.200 -91.000 TYR 25 0.840 31.100 29.373 44.862 -99.200 -91.000 TRP 31 1.040 25.118 31.374 44.153 -99.200 -91.000 TRP6 31 1.020 26.720 30.921 42.472 -99.200 -91.000 TYR 32 0.840 26.546 25.891 49.063 -99.200 -91.000 PHE 38 1.000 35.134 16.152 33.766 -99.200 -91.000 HIS 56 0.900 28.185 21.281 49.612 -99.200 -91.000 TRP 57 1.040 18.941 25.761 49.568 -99.200 -91.000 TRP6 57 1.020 17.211 24.246 50.128 -99.200 -91.000 TRP 58 1.040 18.151 19.513 53.916 -99.200 -91.000 TRP6 58 1.020 19.001 18.232 55.717 -99.200 -91.000 PHE 59 1.000 25.583 19.565 54.723 -99.200 -91.000 TYR 69 0.840 20.346 13.890 63.813 -99.200 -91.000 HIS 73 0.900 19.895 11.586 67.775 -99.200 -91.000 PHE 81 1.000 31.256 2.094 54.907 -99.200 -91.000 PHE 87 1.000 30.294 12.751 55.018 -99.200 -91.000 HIS 98 0.900 36.758 24.473 50.998 -99.200 -91.000 PHE 105 1.000 31.445 15.499 43.254 -99.200 -91.000 TYR 107 0.840 30.504 9.256 52.125 -99.200 -91.000 PHE 108 1.000 27.331 12.670 47.969 -99.200 -91.000 PHE 113 1.000 26.654 7.635 45.575 -99.200 -91.000 TYR 115 0.840 36.822 4.153 39.481 -99.200 -91.000 HIS 118 0.900 31.464 3.773 30.580 -99.200 -91.000 PHE 122 1.000 18.699 9.977 37.008 -99.200 -91.000 HIS 125 0.900 16.927 6.493 43.087 -99.200 -91.000 PHE 130 1.000 24.780 13.290 53.519 -99.200 -91.000 TYR 134 0.840 13.600 5.988 52.304 -99.200 -91.000 HIS 141 0.900 17.079 1.612 36.022 -99.200 -91.000 PHE 158 1.000 21.834 15.212 59.169 -99.200 -91.000 PHE 162 1.000 14.578 15.241 58.505 -99.200 -91.000 HIS 175 0.900 7.686 16.582 40.564 -99.200 -91.000 PHE 177 1.000 10.304 19.093 33.983 -99.200 -91.000 HIS 203 0.900 21.309 19.185 30.377 -99.200 -91.000 TYR 205 0.840 26.359 17.033 28.931 -99.200 -91.000 HIS 209 0.900 25.783 17.276 32.813 -99.200 -91.000 TRP 214 1.040 22.041 27.079 41.920 -99.200 -91.000 TRP6 214 1.020 21.846 26.091 44.057 -99.200 -91.000 PHE 218 1.000 8.944 31.234 36.014 -99.200 -91.000 TYR 228 0.840 19.150 33.633 35.648 -99.200 -91.000 TYR 243 0.840 22.551 26.058 30.573 -99.200 -91.000 PHE 244 1.000 19.430 33.138 25.681 -99.200 -91.000 PHE 273 1.000 16.109 14.043 39.318 -99.200 -91.000 TRP 282 1.040 15.441 19.606 61.354 -99.200 -91.000 TRP6 282 1.020 17.429 18.359 61.049 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1y08A1 THR 49 HA 0.09 -0.06 0.22 -0.75 4.39 3.88 1y08A1 THR 49 HB 0.13 -0.06 -0.07 -0.04 4.32 4.29 1y08A1 THR 49 HG23 0.04 0.01 -0.07 -0.04 1.22 1.17 1y08A1 SER 50 H 0.14 0.20 0.18 -0.55 8.46 8.43 1y08A1 SER 50 HA 0.19 0.33 1.15 -0.75 4.49 5.40 1y08A1 SER 50 HB2 0.23 -0.04 0.02 -0.04 3.95 4.12 1y08A1 SER 50 HB3 0.29 -0.01 -0.04 -0.04 3.93 4.14 1y08A1 VAL 51 H 0.05 0.58 0.34 -0.55 8.24 8.66 1y08A1 VAL 51 HA 0.17 0.16 0.88 -0.75 4.13 4.59 1y08A1 VAL 51 HB 0.19 -0.06 0.06 -0.04 2.12 2.27 1y08A1 VAL 51 HG13 0.08 0.03 -0.12 -0.04 0.97 0.92 1y08A1 VAL 51 HG23 0.03 -0.00 -0.23 -0.04 0.95 0.70 1y08A1 TRP 52 H 0.33 0.22 0.16 -0.55 7.97 8.13 1y08A1 TRP 52 HA 0.11 0.16 1.17 -0.75 4.62 5.31 1y08A1 TRP 52 HB2 0.07 -0.02 0.07 -0.04 3.23 3.31 1y08A1 TRP 52 HB3 0.09 0.18 0.04 -0.04 3.23 3.50 1y08A1 TRP 52 HD1 0.03 -0.02 -0.27 -0.04 7.22 6.91 1y08A1 TRP 52 HE1 -0.12 -0.01 -0.13 -0.04 10.20 9.90 1y08A1 TRP 52 HE3 0.07 0.12 -0.18 -0.04 7.59 7.56 1y08A1 TRP 52 HZ2 -0.89 0.01 -0.11 -0.04 7.44 6.41 1y08A1 TRP 52 HZ3 -0.14 -0.04 -0.16 -0.04 7.13 6.74 1y08A1 TRP 52 HH2 -0.30 -0.03 -0.08 -0.04 7.19 6.74 1y08A1 THR 53 H 0.37 0.58 0.35 -0.55 8.28 9.04 1y08A1 THR 53 HA 0.18 0.06 0.48 -0.75 4.39 4.35 1y08A1 THR 53 HB 0.48 -0.07 0.13 -0.04 4.32 4.82 1y08A1 THR 53 HG23 -0.02 0.08 -0.05 -0.04 1.22 1.19 1y08A1 LYS 54 H 0.30 0.15 0.18 -0.55 8.42 8.49 1y08A1 LYS 54 HA 0.27 0.01 0.47 -0.75 4.32 4.32 1y08A1 LYS 54 HB2 0.30 0.03 0.22 -0.04 1.87 2.37 1y08A1 LYS 54 HB3 0.60 0.04 0.14 -0.04 1.79 2.52 1y08A1 LYS 54 HG2 0.25 0.01 -0.22 -0.04 1.46 1.46 1y08A1 LYS 54 HG3 0.20 -0.03 0.08 -0.04 1.46 1.66 1y08A1 LYS 54 HD2 0.23 0.02 0.11 -0.04 1.69 2.01 1y08A1 LYS 54 HD3 0.31 0.03 0.07 -0.04 1.68 2.05 1y08A1 LYS 54 HE2 0.06 -0.00 0.01 -0.04 2.99 3.02 1y08A1 LYS 54 HE3 0.10 -0.01 0.04 -0.04 2.99 3.07 1y08A1 GLY 55 H 0.22 0.10 0.19 -0.55 8.43 8.39 1y08A1 GLY 55 HA2 0.15 -0.04 0.31 -0.51 4.01 3.92 1y08A1 GLY 55 HA3 0.23 0.06 0.42 -0.51 4.01 4.21 1y08A1 VAL 56 H 0.30 0.48 -0.25 -0.55 8.24 8.22 1y08A1 VAL 56 HA 0.22 0.23 1.08 -0.75 4.13 4.90 1y08A1 VAL 56 HB 0.44 0.08 0.02 -0.04 2.12 2.61 1y08A1 VAL 56 HG13 0.20 -0.04 -0.29 -0.04 0.97 0.80 1y08A1 VAL 56 HG23 0.53 0.02 -0.30 -0.04 0.95 1.17 1y08A1 THR 57 H 0.07 0.68 0.25 -0.55 8.28 8.73 1y08A1 THR 57 HA -0.14 0.10 0.61 -0.75 4.39 4.20 1y08A1 THR 57 HB -0.03 -0.04 0.15 -0.04 4.32 4.36 1y08A1 THR 57 HG23 -0.12 0.03 -0.11 -0.04 1.22 0.98 1y08A1 PRO 58 HA -1.68 0.05 0.40 -0.51 4.44 2.69 1y08A1 PRO 58 HB2 -0.56 -0.01 0.02 -0.04 2.28 1.69 1y08A1 PRO 58 HB3 -1.27 0.00 0.01 -0.04 2.02 0.73 1y08A1 PRO 58 HG2 -0.72 -0.01 0.03 -0.04 2.03 1.29 1y08A1 PRO 58 HG3 -2.33 0.04 -0.00 -0.04 2.03 -0.31 1y08A1 PRO 58 HD2 -0.36 0.03 0.18 -0.04 3.68 3.49 1y08A1 PRO 58 HD3 -0.39 0.31 0.29 -0.04 3.65 3.81 1y08A1 PRO 59 HA -0.13 0.07 0.46 -0.51 4.44 4.33 1y08A1 PRO 59 HB2 -0.62 -0.04 -0.04 -0.04 2.28 1.54 1y08A1 PRO 59 HB3 -0.27 0.04 0.06 -0.04 2.02 1.81 1y08A1 PRO 59 HG2 -0.71 -0.03 0.03 -0.04 2.03 1.29 1y08A1 PRO 59 HG3 -0.52 0.09 0.05 -0.04 2.03 1.61 1y08A1 PRO 59 HD2 -0.21 0.03 0.12 -0.04 3.68 3.58 1y08A1 PRO 59 HD3 -0.78 0.18 0.17 -0.04 3.65 3.17 1y08A1 ALA 60 H -0.09 0.13 0.15 -0.55 8.40 8.04 1y08A1 ALA 60 HA 0.03 0.21 0.83 -0.75 4.34 4.66 1y08A1 ALA 60 HB3 -0.04 0.02 0.06 -0.04 1.41 1.40 1y08A1 ASN 61 H -0.16 0.04 -0.08 -0.55 8.53 7.79 1y08A1 ASN 61 HA -0.06 0.28 0.93 -0.75 4.76 5.16 1y08A1 ASN 61 HB2 -0.10 0.03 0.18 -0.04 2.88 2.95 1y08A1 ASN 61 HB3 -0.08 -0.02 -0.01 -0.04 2.79 2.64 1y08A1 ASN 61 HD21 -0.05 0.45 -0.07 -0.04 7.03 7.33 1y08A1 ASN 61 HD22 -0.08 -0.05 0.03 -0.04 7.74 7.61 1y08A1 PHE 62 H 0.09 0.10 -0.38 -0.55 8.34 7.59 1y08A1 PHE 62 HA -0.37 0.23 0.32 -0.75 4.62 4.05 1y08A1 PHE 62 HB2 -0.19 -0.01 -0.08 -0.04 3.15 2.84 1y08A1 PHE 62 HB3 -1.36 -0.02 -0.21 -0.04 3.06 1.42 1y08A1 PHE 62 HD2 -0.28 0.02 -0.33 -0.04 7.28 6.65 1y08A1 PHE 62 HE2 -0.01 0.07 -0.20 -0.04 7.38 7.21 1y08A1 PHE 62 HZ 0.13 -0.04 -0.16 -0.04 7.32 7.21 1y08A1 THR 63 H -0.51 0.61 0.40 -0.55 8.28 8.23 1y08A1 THR 63 HA -0.06 0.09 0.72 -0.75 4.39 4.39 1y08A1 THR 63 HB -0.12 0.09 -0.15 -0.04 4.32 4.10 1y08A1 THR 63 HG23 -0.33 0.03 -0.01 -0.04 1.22 0.87 1y08A1 GLN 64 H 0.17 0.16 0.15 -0.55 8.47 8.40 1y08A1 GLN 64 HA 0.39 0.04 0.82 -0.75 4.36 4.86 1y08A1 GLN 64 HB2 0.40 -0.03 0.08 -0.04 2.15 2.55 1y08A1 GLN 64 HB3 0.20 -0.02 0.19 -0.04 2.02 2.34 1y08A1 GLN 64 HG2 0.15 -0.06 -0.03 -0.04 2.40 2.42 1y08A1 GLN 64 HG3 0.17 0.22 -0.22 -0.04 2.39 2.53 1y08A1 GLN 64 HE21 0.23 -0.09 -0.36 -0.04 6.97 6.71 1y08A1 GLN 64 HE22 0.18 0.41 -0.28 -0.04 7.69 7.97 1y08A1 GLY 65 H 0.31 0.66 0.33 -0.55 8.43 9.17 1y08A1 GLY 65 HA2 0.18 0.15 0.68 -0.51 4.01 4.52 1y08A1 GLY 65 HA3 0.26 -0.05 0.44 -0.51 4.01 4.15 1y08A1 GLU 66 H 0.10 0.10 0.17 -0.55 8.60 8.42 1y08A1 GLU 66 HA 0.08 0.16 0.51 -0.75 4.29 4.28 1y08A1 GLU 66 HB2 0.05 0.03 0.01 -0.04 2.09 2.14 1y08A1 GLU 66 HB3 0.05 0.04 0.10 -0.04 1.99 2.14 1y08A1 GLU 66 HG2 0.05 -0.11 0.12 -0.04 2.34 2.36 1y08A1 GLU 66 HG3 0.04 0.04 0.05 -0.04 2.34 2.42 1y08A1 ASP 67 H 0.08 -0.05 0.00 -0.55 8.40 7.88 1y08A1 ASP 67 HA 0.07 0.30 0.99 -0.75 4.63 5.24 1y08A1 ASP 67 HB2 0.06 -0.02 -0.00 -0.04 2.71 2.71 1y08A1 ASP 67 HB3 0.06 -0.00 0.05 -0.04 2.70 2.77 1y08A1 VAL 68 H 0.16 0.00 -0.01 -0.55 8.24 7.84 1y08A1 VAL 68 HA 0.24 0.29 0.75 -0.75 4.13 4.65 1y08A1 VAL 68 HB 0.19 0.00 -0.29 -0.04 2.12 1.99 1y08A1 VAL 68 HG13 0.12 -0.03 -0.17 -0.04 0.97 0.84 1y08A1 VAL 68 HG23 0.31 0.09 0.07 -0.04 0.95 1.37 1y08A1 PHE 69 H 0.40 0.31 0.25 -0.55 8.34 8.74 1y08A1 PHE 69 HA 0.21 0.15 0.77 -0.75 4.62 5.00 1y08A1 PHE 69 HB2 0.12 0.01 0.12 -0.04 3.15 3.36 1y08A1 PHE 69 HB3 0.09 -0.02 0.23 -0.04 3.06 3.32 1y08A1 PHE 69 HD2 -0.01 -0.05 -0.15 -0.04 7.28 7.04 1y08A1 PHE 69 HE2 -0.14 -0.00 -0.17 -0.04 7.38 7.03 1y08A1 PHE 69 HZ 0.04 0.04 -0.17 -0.04 7.32 7.19 1y08A1 HIS 70 H -0.14 0.69 0.43 -0.55 8.41 8.83 1y08A1 HIS 70 HA 0.21 0.19 0.98 -0.75 4.63 5.26 1y08A1 HIS 70 HB2 0.06 0.20 -0.17 -0.04 3.26 3.31 1y08A1 HIS 70 HB3 0.12 -0.17 -0.38 -0.04 3.20 2.72 1y08A1 HIS 70 HD2 0.09 0.16 0.08 -0.04 6.97 7.26 1y08A1 HIS 70 HE1 0.03 0.00 -0.01 -0.04 7.75 7.73 1y08A1 ALA 71 H -0.19 0.66 0.21 -0.55 8.40 8.53 1y08A1 ALA 71 HA -0.47 0.36 0.90 -0.75 4.34 4.38 1y08A1 ALA 71 HB3 -1.24 -0.06 -0.10 -0.04 1.41 -0.03 1y08A1 PRO 72 HA 0.19 0.06 0.18 -0.51 4.44 4.35 1y08A1 PRO 72 HB2 0.00 -0.04 0.03 -0.04 2.28 2.24 1y08A1 PRO 72 HB3 0.07 0.01 0.07 -0.04 2.02 2.12 1y08A1 PRO 72 HG2 -0.01 -0.03 0.09 -0.04 2.03 2.03 1y08A1 PRO 72 HG3 0.12 0.14 0.10 -0.04 2.03 2.35 1y08A1 PRO 72 HD2 -0.16 0.17 0.25 -0.04 3.68 3.90 1y08A1 PRO 72 HD3 -0.31 0.21 0.14 -0.04 3.65 3.65 1y08A1 TYR 73 H 0.27 0.11 0.05 -0.55 8.29 8.18 1y08A1 TYR 73 HA 0.01 0.03 0.44 -0.75 4.56 4.29 1y08A1 TYR 73 HB2 0.00 -0.02 0.12 -0.04 3.06 3.12 1y08A1 TYR 73 HB3 -0.06 0.02 0.12 -0.04 2.98 3.02 1y08A1 TYR 73 HD2 -0.91 -0.01 -0.08 -0.04 7.15 6.10 1y08A1 TYR 73 HE2 -0.62 0.15 -0.01 -0.04 6.85 6.32 1y08A1 VAL 74 H -0.86 0.22 0.16 -0.55 8.24 7.21 1y08A1 VAL 74 HA -0.48 0.10 0.80 -0.75 4.13 3.79 1y08A1 VAL 74 HB -0.23 -0.03 0.11 -0.04 2.12 1.93 1y08A1 VAL 74 HG13 -0.23 0.03 -0.09 -0.04 0.97 0.65 1y08A1 VAL 74 HG23 -0.12 0.05 -0.17 -0.04 0.95 0.68 1y08A1 ALA 75 H -0.60 0.12 0.08 -0.55 8.40 7.46 1y08A1 ALA 75 HA -0.85 0.07 0.50 -0.75 4.34 3.31 1y08A1 ALA 75 HB3 -0.23 0.01 0.09 -0.04 1.41 1.25 1y08A1 ASN 76 H -0.35 0.12 0.20 -0.55 8.53 7.96 1y08A1 ASN 76 HA -0.16 0.00 0.36 -0.75 4.76 4.21 1y08A1 ASN 76 HB2 -0.15 0.24 0.01 -0.04 2.88 2.94 1y08A1 ASN 76 HB3 -0.10 0.02 0.22 -0.04 2.79 2.89 1y08A1 ASN 76 HD21 -0.06 -0.01 -0.06 -0.04 7.03 6.85 1y08A1 ASN 76 HD22 -0.10 0.08 -0.16 -0.04 7.74 7.51 1y08A1 GLN 77 H -0.47 0.12 -0.08 -0.55 8.47 7.49 1y08A1 GLN 77 HA -0.09 0.22 0.83 -0.75 4.36 4.57 1y08A1 GLN 77 HB2 -0.31 -0.03 0.07 -0.04 2.15 1.83 1y08A1 GLN 77 HB3 0.09 0.04 0.16 -0.04 2.02 2.27 1y08A1 GLN 77 HG2 -0.33 0.17 -0.32 -0.04 2.40 1.87 1y08A1 GLN 77 HG3 -0.08 -0.06 -0.03 -0.04 2.39 2.18 1y08A1 GLN 77 HE21 -0.11 -0.05 -0.09 -0.04 6.97 6.67 1y08A1 GLN 77 HE22 -0.19 0.26 -0.27 -0.04 7.69 7.46 1y08A1 GLY 78 H -0.22 -0.04 -0.09 -0.55 8.43 7.54 1y08A1 GLY 78 HA2 0.11 0.00 0.32 -0.51 4.01 3.94 1y08A1 GLY 78 HA3 0.16 0.42 0.79 -0.51 4.01 4.86 1y08A1 TRP 79 H -0.37 0.06 -0.24 -0.55 7.97 6.87 1y08A1 TRP 79 HA -0.96 0.25 0.94 -0.75 4.62 4.09 1y08A1 TRP 79 HB2 -1.92 -0.03 0.02 -0.04 3.23 1.25 1y08A1 TRP 79 HB3 -1.02 0.08 -0.09 -0.04 3.23 2.16 1y08A1 TRP 79 HD1 -0.27 0.16 -0.16 -0.04 7.22 6.91 1y08A1 TRP 79 HE1 -0.24 0.07 -0.00 -0.04 10.20 9.98 1y08A1 TRP 79 HE3 -0.29 0.08 -0.30 -0.04 7.59 7.04 1y08A1 TRP 79 HZ2 -0.18 0.09 0.00 -0.04 7.44 7.32 1y08A1 TRP 79 HZ3 0.08 -0.04 -0.19 -0.04 7.13 6.94 1y08A1 TRP 79 HH2 0.04 0.11 -0.07 -0.04 7.19 7.23 1y08A1 TYR 80 H -0.25 0.22 0.16 -0.55 8.29 7.87 1y08A1 TYR 80 HA -0.05 0.19 0.88 -0.75 4.56 4.82 1y08A1 TYR 80 HB2 0.41 0.01 0.07 -0.04 3.06 3.51 1y08A1 TYR 80 HB3 0.24 -0.05 0.01 -0.04 2.98 3.14 1y08A1 TYR 80 HD2 0.22 0.08 -0.11 -0.04 7.15 7.30 1y08A1 TYR 80 HE2 0.10 0.02 -0.36 -0.04 6.85 6.57 1y08A1 ASP 81 H -0.13 0.20 -0.02 -0.55 8.40 7.91 1y08A1 ASP 81 HA 0.19 0.15 0.76 -0.75 4.63 4.98 1y08A1 ASP 81 HB2 0.14 0.02 -0.27 -0.04 2.71 2.56 1y08A1 ASP 81 HB3 -0.52 -0.01 0.05 -0.04 2.70 2.18 1y08A1 ILE 82 H 0.07 0.06 -0.06 -0.55 8.25 7.77 1y08A1 ILE 82 HA -0.05 0.20 0.55 -0.75 4.18 4.12 1y08A1 ILE 82 HB -0.24 -0.02 0.08 -0.04 1.89 1.66 1y08A1 ILE 82 HG12 0.03 0.07 0.05 -0.04 1.49 1.60 1y08A1 ILE 82 HG13 0.06 -0.04 -0.00 -0.04 1.21 1.19 1y08A1 ILE 82 HG23 -0.88 -0.01 -0.14 -0.04 0.93 -0.14 1y08A1 ILE 82 HD13 -0.30 0.00 -0.09 -0.04 0.88 0.45 1y08A1 THR 83 H -0.05 0.64 0.33 -0.55 8.28 8.65 1y08A1 THR 83 HA -0.03 0.16 0.99 -0.75 4.39 4.77 1y08A1 THR 83 HB 0.03 -0.14 -0.02 -0.04 4.32 4.15 1y08A1 THR 83 HG23 0.09 0.07 -0.06 -0.04 1.22 1.28 1y08A1 LYS 84 H -0.03 0.61 0.26 -0.55 8.42 8.71 1y08A1 LYS 84 HA 0.15 -0.01 0.47 -0.75 4.32 4.17 1y08A1 LYS 84 HB2 -0.50 0.16 0.05 -0.04 1.87 1.54 1y08A1 LYS 84 HB3 -0.63 -0.32 0.00 -0.04 1.79 0.80 1y08A1 LYS 84 HG2 0.01 -0.02 -0.04 -0.04 1.46 1.37 1y08A1 LYS 84 HG3 -0.10 0.01 -0.05 -0.04 1.46 1.28 1y08A1 LYS 84 HD2 -0.25 0.03 -0.16 -0.04 1.69 1.26 1y08A1 LYS 84 HD3 -0.69 -0.02 -0.08 -0.04 1.68 0.85 1y08A1 LYS 84 HE2 -0.02 -0.04 -0.20 -0.04 2.99 2.69 1y08A1 LYS 84 HE3 0.00 -0.11 -0.18 -0.04 2.99 2.66 1y08A1 THR 85 H 0.02 -0.02 0.20 -0.55 8.28 7.94 1y08A1 THR 85 HA 0.17 0.29 0.86 -0.75 4.39 4.95 1y08A1 THR 85 HB 0.10 0.04 0.12 -0.04 4.32 4.53 1y08A1 THR 85 HG23 0.09 0.04 -0.01 -0.04 1.22 1.31 1y08A1 PHE 86 H -0.23 -0.02 -0.05 -0.55 8.34 7.49 1y08A1 PHE 86 HA 0.06 -0.11 0.27 -0.75 4.62 4.08 1y08A1 PHE 86 HB2 0.06 0.22 -0.11 -0.04 3.15 3.28 1y08A1 PHE 86 HB3 0.06 0.01 0.19 -0.04 3.06 3.27 1y08A1 PHE 86 HD2 0.07 0.01 -0.18 -0.04 7.28 7.14 1y08A1 PHE 86 HE2 0.10 0.13 0.01 -0.04 7.38 7.57 1y08A1 PHE 86 HZ 0.12 -0.03 0.04 -0.04 7.32 7.40 1y08A1 ASN 87 H 0.02 -0.09 -0.10 -0.55 8.53 7.82 1y08A1 ASN 87 HA 0.08 0.33 0.63 -0.75 4.76 5.04 1y08A1 ASN 87 HB2 0.02 0.12 0.16 -0.04 2.88 3.14 1y08A1 ASN 87 HB3 0.03 0.06 -0.02 -0.04 2.79 2.82 1y08A1 ASN 87 HD21 -0.10 0.05 -0.03 -0.04 7.03 6.91 1y08A1 ASN 87 HD22 -0.03 0.11 0.02 -0.04 7.74 7.80 1y08A1 GLY 88 H 0.09 0.04 -0.51 -0.55 8.43 7.50 1y08A1 GLY 88 HA2 0.13 0.07 0.32 -0.51 4.01 4.02 1y08A1 GLY 88 HA3 0.13 0.28 0.66 -0.51 4.01 4.58 1y08A1 LYS 89 H -0.13 0.07 -0.54 -0.55 8.42 7.25 1y08A1 LYS 89 HA -0.55 0.25 0.94 -0.75 4.32 4.20 1y08A1 LYS 89 HB2 -0.28 -0.09 0.02 -0.04 1.87 1.47 1y08A1 LYS 89 HB3 -0.43 0.26 0.14 -0.04 1.79 1.71 1y08A1 LYS 89 HG2 -1.60 0.04 -0.07 -0.04 1.46 -0.20 1y08A1 LYS 89 HG3 -0.40 0.02 -0.07 -0.04 1.46 0.97 1y08A1 LYS 89 HD2 -0.22 -0.07 -0.03 -0.04 1.69 1.33 1y08A1 LYS 89 HD3 -0.34 0.18 0.08 -0.04 1.68 1.56 1y08A1 LYS 89 HE2 -0.13 0.02 -0.00 -0.04 2.99 2.83 1y08A1 LYS 89 HE3 -0.08 -0.02 0.00 -0.04 2.99 2.85 1y08A1 ASP 90 H -0.12 -0.06 0.03 -0.55 8.40 7.70 1y08A1 ASP 90 HA -0.11 0.35 0.85 -0.75 4.63 4.96 1y08A1 ASP 90 HB2 0.05 0.05 0.14 -0.04 2.71 2.91 1y08A1 ASP 90 HB3 -0.27 0.12 0.04 -0.04 2.70 2.54 1y08A1 ASP 91 H -0.03 0.12 -0.43 -0.55 8.40 7.51 1y08A1 ASP 91 HA -0.17 0.01 0.26 -0.75 4.63 3.98 1y08A1 ASP 91 HB2 0.09 0.13 -0.05 -0.04 2.71 2.84 1y08A1 ASP 91 HB3 0.22 0.10 -0.01 -0.04 2.70 2.98 1y08A1 LEU 92 H 0.00 0.16 -0.37 -0.55 8.37 7.62 1y08A1 LEU 92 HA 0.08 0.22 0.90 -0.75 4.35 4.80 1y08A1 LEU 92 HB2 0.00 0.05 -0.01 -0.04 1.64 1.64 1y08A1 LEU 92 HB3 0.04 0.07 0.10 -0.04 1.64 1.81 1y08A1 LEU 92 HG 0.06 -0.10 -0.20 -0.04 1.64 1.36 1y08A1 LEU 92 HD13 0.08 0.02 0.00 -0.04 0.93 0.98 1y08A1 LEU 92 HD23 0.15 0.08 -0.12 -0.04 0.89 0.96 1y08A1 LEU 93 H -0.00 0.51 -0.27 -0.55 8.37 8.07 1y08A1 LEU 93 HA -0.08 0.21 0.86 -0.75 4.35 4.58 1y08A1 LEU 93 HB2 0.11 0.08 0.15 -0.04 1.64 1.94 1y08A1 LEU 93 HB3 0.10 -0.14 0.19 -0.04 1.64 1.75 1y08A1 LEU 93 HG -0.05 -0.02 -0.04 -0.04 1.64 1.49 1y08A1 LEU 93 HD13 -0.08 0.02 -0.09 -0.04 0.93 0.74 1y08A1 LEU 93 HD23 -0.10 0.04 -0.05 -0.04 0.89 0.74 1y08A1 SER 94 H -0.05 0.32 -0.32 -0.55 8.46 7.86 1y08A1 SER 94 HA -0.11 0.04 0.41 -0.75 4.49 4.08 1y08A1 SER 94 HB2 -0.50 0.24 0.25 -0.04 3.95 3.90 1y08A1 SER 94 HB3 -0.12 0.07 0.13 -0.04 3.93 3.97 1y08A1 GLY 95 H -0.19 0.19 -0.19 -0.55 8.43 7.70 1y08A1 GLY 95 HA2 -0.23 0.00 0.41 -0.51 4.01 3.67 1y08A1 GLY 95 HA3 -0.28 0.47 0.38 -0.51 4.01 4.07 1y08A1 ALA 96 H -0.16 0.13 -0.21 -0.55 8.40 7.61 1y08A1 ALA 96 HA -0.20 0.06 0.38 -0.75 4.34 3.82 1y08A1 ALA 96 HB3 -0.03 0.04 0.00 -0.04 1.41 1.38 1y08A1 ALA 97 H 0.01 0.53 -0.17 -0.55 8.40 8.22 1y08A1 ALA 97 HA -0.38 0.02 0.44 -0.75 4.34 3.66 1y08A1 ALA 97 HB3 -0.38 0.03 0.03 -0.04 1.41 1.06 1y08A1 THR 98 H -0.15 0.66 -0.15 -0.55 8.28 8.09 1y08A1 THR 98 HA -0.11 0.02 0.37 -0.75 4.39 3.92 1y08A1 THR 98 HB -0.20 0.09 0.08 -0.04 4.32 4.25 1y08A1 THR 98 HG23 -0.18 -0.02 -0.20 -0.04 1.22 0.78 1y08A1 ALA 99 H -0.12 0.52 -0.24 -0.55 8.40 8.01 1y08A1 ALA 99 HA -0.11 0.02 0.37 -0.75 4.34 3.87 1y08A1 ALA 99 HB3 -0.10 0.02 0.05 -0.04 1.41 1.34 1y08A1 GLY 100 H 0.05 0.50 -0.35 -0.55 8.43 8.07 1y08A1 GLY 100 HA2 -0.21 0.01 0.34 -0.51 4.01 3.64 1y08A1 GLY 100 HA3 -0.17 0.03 0.25 -0.51 4.01 3.61 1y08A1 ASN 101 H -0.09 0.55 -0.18 -0.55 8.53 8.26 1y08A1 ASN 101 HA 0.07 -0.01 0.40 -0.75 4.76 4.47 1y08A1 ASN 101 HB2 0.10 0.14 0.15 -0.04 2.88 3.23 1y08A1 ASN 101 HB3 0.64 -0.00 -0.01 -0.04 2.79 3.38 1y08A1 ASN 101 HD21 0.14 -0.03 -0.10 -0.04 7.03 6.99 1y08A1 ASN 101 HD22 0.17 -0.01 -0.03 -0.04 7.74 7.82 1y08A1 MET 102 H -0.03 0.50 -0.23 -0.55 8.47 8.16 1y08A1 MET 102 HA 0.18 0.05 0.44 -0.75 4.52 4.43 1y08A1 MET 102 HB2 -0.06 0.09 0.09 -0.04 2.15 2.23 1y08A1 MET 102 HB3 0.00 -0.02 -0.06 -0.04 2.03 1.92 1y08A1 MET 102 HG2 -0.25 -0.03 -0.17 -0.04 2.63 2.14 1y08A1 MET 102 HG3 -0.17 0.10 -0.03 -0.04 2.56 2.43 1y08A1 MET 102 HE3 -0.08 0.03 -0.36 -0.04 2.10 1.64 1y08A1 LEU 103 H -0.12 0.56 -0.21 -0.55 8.37 8.06 1y08A1 LEU 103 HA -0.03 0.05 0.41 -0.75 4.35 4.02 1y08A1 LEU 103 HB2 -0.44 0.08 0.11 -0.04 1.64 1.35 1y08A1 LEU 103 HB3 -0.66 -0.05 -0.03 -0.04 1.64 0.86 1y08A1 LEU 103 HG -0.20 0.07 -0.00 -0.04 1.64 1.47 1y08A1 LEU 103 HD13 -0.43 -0.03 -0.14 -0.04 0.93 0.29 1y08A1 LEU 103 HD23 -0.31 -0.01 -0.03 -0.04 0.89 0.49 1y08A1 HIS 104 H -0.24 0.50 -0.23 -0.55 8.41 7.89 1y08A1 HIS 104 HA -0.44 0.00 0.49 -0.75 4.63 3.93 1y08A1 HIS 104 HB2 -0.67 0.10 0.15 -0.04 3.26 2.80 1y08A1 HIS 104 HB3 -1.79 -0.02 -0.04 -0.04 3.20 1.30 1y08A1 HIS 104 HD2 -0.19 -0.02 -0.09 -0.04 6.97 6.63 1y08A1 HIS 104 HE1 0.01 -0.06 0.01 -0.04 7.75 7.66 1y08A1 TRP 105 H 0.40 0.48 -0.17 -0.55 7.97 8.14 1y08A1 TRP 105 HA 0.40 0.06 0.43 -0.75 4.62 4.76 1y08A1 TRP 105 HB2 0.66 0.02 0.16 -0.04 3.23 4.02 1y08A1 TRP 105 HB3 0.37 0.12 0.22 -0.04 3.23 3.90 1y08A1 TRP 105 HD1 0.40 0.17 0.04 -0.04 7.22 7.80 1y08A1 TRP 105 HE1 0.27 0.58 0.02 -0.04 10.20 11.02 1y08A1 TRP 105 HE3 0.32 0.16 -0.03 -0.04 7.59 8.00 1y08A1 TRP 105 HZ2 0.18 0.07 -0.03 -0.04 7.44 7.62 1y08A1 TRP 105 HZ3 0.38 0.00 -0.24 -0.04 7.13 7.23 1y08A1 TRP 105 HH2 0.20 0.03 0.11 -0.04 7.19 7.49 1y08A1 TRP 106 H 0.56 0.46 -0.25 -0.55 7.97 8.18 1y08A1 TRP 106 HA -0.39 0.01 0.36 -0.75 4.62 3.84 1y08A1 TRP 106 HB2 0.25 0.10 0.09 -0.04 3.23 3.64 1y08A1 TRP 106 HB3 -0.04 0.11 0.12 -0.04 3.23 3.37 1y08A1 TRP 106 HD1 0.26 -0.00 -0.13 -0.04 7.22 7.30 1y08A1 TRP 106 HE1 -0.07 0.12 -0.01 -0.04 10.20 10.20 1y08A1 TRP 106 HE3 0.21 0.04 -0.19 -0.04 7.59 7.61 1y08A1 TRP 106 HZ2 -0.88 0.04 -0.05 -0.04 7.44 6.50 1y08A1 TRP 106 HZ3 -0.51 -0.03 -0.08 -0.04 7.13 6.47 1y08A1 TRP 106 HH2 -0.71 -0.01 -0.04 -0.04 7.19 6.39 1y08A1 PHE 107 H 0.16 0.51 -0.25 -0.55 8.34 8.20 1y08A1 PHE 107 HA 0.05 -0.01 0.30 -0.75 4.62 4.21 1y08A1 PHE 107 HB2 0.07 0.20 0.16 -0.04 3.15 3.54 1y08A1 PHE 107 HB3 0.05 -0.08 -0.02 -0.04 3.06 2.98 1y08A1 PHE 107 HD2 0.27 -0.01 -0.04 -0.04 7.28 7.47 1y08A1 PHE 107 HE2 0.52 -0.06 -0.14 -0.04 7.38 7.66 1y08A1 PHE 107 HZ 0.44 -0.06 -0.08 -0.04 7.32 7.59 1y08A1 ASP 108 H 0.09 0.43 -0.30 -0.55 8.40 8.07 1y08A1 ASP 108 HA -0.01 -0.03 0.48 -0.75 4.63 4.32 1y08A1 ASP 108 HB2 -0.04 0.26 0.21 -0.04 2.71 3.10 1y08A1 ASP 108 HB3 -0.02 -0.04 0.00 -0.04 2.70 2.60 1y08A1 GLN 109 H -0.43 0.54 -0.03 -0.55 8.47 8.01 1y08A1 GLN 109 HA -0.30 0.02 0.45 -0.75 4.36 3.77 1y08A1 GLN 109 HB2 -0.73 0.08 0.13 -0.04 2.15 1.59 1y08A1 GLN 109 HB3 -0.46 -0.10 0.09 -0.04 2.02 1.51 1y08A1 GLN 109 HG2 -1.66 0.31 -0.01 -0.04 2.40 0.99 1y08A1 GLN 109 HG3 -1.83 -0.04 -0.01 -0.04 2.39 0.47 1y08A1 GLN 109 HE21 -0.14 -0.01 -0.02 -0.04 6.97 6.76 1y08A1 GLN 109 HE22 -0.85 0.13 0.06 -0.04 7.69 6.98 1y08A1 ASN 110 H -0.42 0.54 -0.31 -0.55 8.53 7.79 1y08A1 ASN 110 HA -0.39 0.14 0.93 -0.75 4.76 4.68 1y08A1 ASN 110 HB2 -0.79 0.13 0.06 -0.04 2.88 2.24 1y08A1 ASN 110 HB3 -0.76 -0.18 0.16 -0.04 2.79 1.97 1y08A1 ASN 110 HD21 -1.00 0.23 0.09 -0.04 7.03 6.31 1y08A1 ASN 110 HD22 -2.30 0.07 0.02 -0.04 7.74 5.49 1y08A1 LYS 111 H -0.21 0.41 -0.32 -0.55 8.42 7.75 1y08A1 LYS 111 HA -0.15 0.09 0.40 -0.75 4.32 3.91 1y08A1 LYS 111 HB2 -0.10 0.18 0.22 -0.04 1.87 2.13 1y08A1 LYS 111 HB3 -0.12 -0.08 0.15 -0.04 1.79 1.70 1y08A1 LYS 111 HG2 -0.10 -0.06 -0.18 -0.04 1.46 1.08 1y08A1 LYS 111 HG3 -0.08 -0.01 0.05 -0.04 1.46 1.38 1y08A1 LYS 111 HD2 -0.05 0.04 0.03 -0.04 1.69 1.67 1y08A1 LYS 111 HD3 -0.07 -0.01 0.01 -0.04 1.68 1.58 1y08A1 LYS 111 HE2 -0.06 -0.03 -0.03 -0.04 2.99 2.83 1y08A1 LYS 111 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 1y08A1 ASP 112 H -0.20 0.18 -0.09 -0.55 8.40 7.74 1y08A1 ASP 112 HA -0.14 0.08 0.43 -0.75 4.63 4.24 1y08A1 ASP 112 HB2 -0.17 0.02 0.08 -0.04 2.71 2.59 1y08A1 ASP 112 HB3 -0.13 0.01 0.02 -0.04 2.70 2.55 1y08A1 GLN 113 H -0.47 0.14 -0.20 -0.55 8.47 7.39 1y08A1 GLN 113 HA -0.45 0.03 0.42 -0.75 4.36 3.60 1y08A1 GLN 113 HB2 -1.56 0.11 0.11 -0.04 2.15 0.77 1y08A1 GLN 113 HB3 -2.48 0.01 0.01 -0.04 2.02 -0.48 1y08A1 GLN 113 HG2 -0.91 0.08 0.06 -0.04 2.40 1.59 1y08A1 GLN 113 HG3 -0.46 -0.03 0.04 -0.04 2.39 1.90 1y08A1 GLN 113 HE21 -0.16 0.02 0.05 -0.04 6.97 6.83 1y08A1 GLN 113 HE22 -0.14 0.03 0.04 -0.04 7.69 7.58 1y08A1 ILE 114 H -0.57 0.73 -0.11 -0.55 8.25 7.75 1y08A1 ILE 114 HA -0.11 0.02 0.43 -0.75 4.18 3.76 1y08A1 ILE 114 HB -0.15 0.16 0.13 -0.04 1.89 1.99 1y08A1 ILE 114 HG12 -0.15 -0.05 -0.01 -0.04 1.49 1.23 1y08A1 ILE 114 HG13 -0.58 0.06 0.04 -0.04 1.21 0.69 1y08A1 ILE 114 HG23 0.24 -0.03 -0.16 -0.04 0.93 0.94 1y08A1 ILE 114 HD13 -0.00 0.01 -0.10 -0.04 0.88 0.75 1y08A1 LYS 115 H -0.14 0.51 -0.12 -0.55 8.42 8.11 1y08A1 LYS 115 HA 0.00 -0.02 0.37 -0.75 4.32 3.92 1y08A1 LYS 115 HB2 -0.07 0.05 0.15 -0.04 1.87 1.95 1y08A1 LYS 115 HB3 -0.08 0.16 0.20 -0.04 1.79 2.02 1y08A1 LYS 115 HG2 -0.03 -0.01 -0.16 -0.04 1.46 1.22 1y08A1 LYS 115 HG3 -0.04 -0.04 0.03 -0.04 1.46 1.37 1y08A1 LYS 115 HD2 -0.05 -0.02 -0.00 -0.04 1.69 1.58 1y08A1 LYS 115 HD3 -0.06 0.02 0.01 -0.04 1.68 1.60 1y08A1 LYS 115 HE2 -0.03 0.00 -0.05 -0.04 2.99 2.87 1y08A1 LYS 115 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 1y08A1 ARG 116 H -0.09 0.51 -0.18 -0.55 8.46 8.15 1y08A1 ARG 116 HA -0.01 0.00 0.43 -0.75 4.34 4.02 1y08A1 ARG 116 HB2 -0.05 -0.03 0.10 -0.04 1.90 1.88 1y08A1 ARG 116 HB3 -0.07 0.12 0.18 -0.04 1.80 2.00 1y08A1 ARG 116 HG2 0.06 0.01 -0.30 -0.04 1.67 1.40 1y08A1 ARG 116 HG3 0.00 -0.04 0.01 -0.04 1.67 1.60 1y08A1 ARG 116 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.12 1y08A1 ARG 116 HD3 0.02 0.04 -0.03 -0.04 3.22 3.21 1y08A1 TYR 117 H 0.17 0.64 -0.09 -0.55 8.29 8.46 1y08A1 TYR 117 HA 0.27 0.01 0.44 -0.75 4.56 4.52 1y08A1 TYR 117 HB2 0.49 0.03 0.12 -0.04 3.06 3.66 1y08A1 TYR 117 HB3 0.39 0.10 0.21 -0.04 2.98 3.63 1y08A1 TYR 117 HD2 0.48 0.03 -0.15 -0.04 7.15 7.46 1y08A1 TYR 117 HE2 0.06 0.04 -0.03 -0.04 6.85 6.88 1y08A1 LEU 118 H 0.28 0.65 -0.15 -0.55 8.37 8.61 1y08A1 LEU 118 HA 0.16 0.09 0.33 -0.75 4.35 4.18 1y08A1 LEU 118 HB2 0.11 0.11 0.07 -0.04 1.64 1.89 1y08A1 LEU 118 HB3 0.07 -0.08 0.00 -0.04 1.64 1.59 1y08A1 LEU 118 HG 0.40 0.12 -0.01 -0.04 1.64 2.11 1y08A1 LEU 118 HD13 0.09 -0.04 -0.08 -0.04 0.93 0.86 1y08A1 LEU 118 HD23 0.17 -0.00 -0.12 -0.04 0.89 0.89 1y08A1 GLU 119 H 0.04 0.34 -0.38 -0.55 8.60 8.05 1y08A1 GLU 119 HA -0.02 -0.01 0.45 -0.75 4.29 3.96 1y08A1 GLU 119 HB2 -0.02 0.16 0.16 -0.04 2.09 2.35 1y08A1 GLU 119 HB3 -0.03 -0.08 0.05 -0.04 1.99 1.88 1y08A1 GLU 119 HG2 -0.02 -0.09 0.02 -0.04 2.34 2.22 1y08A1 GLU 119 HG3 -0.00 0.46 0.11 -0.04 2.34 2.87 1y08A1 GLU 120 H -0.08 0.38 -0.20 -0.55 8.60 8.15 1y08A1 GLU 120 HA -0.21 0.02 0.54 -0.75 4.29 3.88 1y08A1 GLU 120 HB2 -0.45 0.11 0.13 -0.04 2.09 1.84 1y08A1 GLU 120 HB3 -0.52 -0.08 0.07 -0.04 1.99 1.43 1y08A1 GLU 120 HG2 -0.09 -0.09 0.03 -0.04 2.34 2.15 1y08A1 GLU 120 HG3 -0.04 0.39 0.11 -0.04 2.34 2.76 1y08A1 HIS 121 H -0.18 0.53 -0.13 -0.55 8.41 8.07 1y08A1 HIS 121 HA -0.10 0.15 0.90 -0.75 4.63 4.83 1y08A1 HIS 121 HB2 -0.45 0.04 0.20 -0.04 3.26 3.02 1y08A1 HIS 121 HB3 -0.16 -0.08 0.14 -0.04 3.20 3.06 1y08A1 HIS 121 HD2 -0.09 -0.02 -0.00 -0.04 6.97 6.80 1y08A1 HIS 121 HE1 -0.07 0.00 -0.05 -0.04 7.75 7.59 1y08A1 PRO 122 HA 0.00 0.12 0.49 -0.51 4.44 4.55 1y08A1 PRO 122 HB2 -0.01 -0.05 0.02 -0.04 2.28 2.19 1y08A1 PRO 122 HB3 -0.02 0.08 0.13 -0.04 2.02 2.17 1y08A1 PRO 122 HG2 -0.02 -0.08 0.07 -0.04 2.03 1.96 1y08A1 PRO 122 HG3 -0.03 0.05 0.05 -0.04 2.03 2.05 1y08A1 PRO 122 HD2 -0.07 0.19 -0.02 -0.04 3.68 3.74 1y08A1 PRO 122 HD3 -0.07 0.34 -0.29 -0.04 3.65 3.59 1y08A1 GLU 123 H 0.01 0.14 -0.28 -0.55 8.60 7.93 1y08A1 GLU 123 HA 0.00 0.04 0.44 -0.75 4.29 4.02 1y08A1 GLU 123 HB2 0.01 0.00 0.12 -0.04 2.09 2.18 1y08A1 GLU 123 HB3 0.01 -0.03 0.09 -0.04 1.99 2.02 1y08A1 GLU 123 HG2 0.02 0.11 -0.30 -0.04 2.34 2.13 1y08A1 GLU 123 HG3 0.02 -0.01 -0.03 -0.04 2.34 2.28 1y08A1 LYS 124 H 0.04 0.59 -0.31 -0.55 8.42 8.18 1y08A1 LYS 124 HA 0.01 0.16 0.64 -0.75 4.32 4.37 1y08A1 LYS 124 HB2 0.12 0.15 0.15 -0.04 1.87 2.26 1y08A1 LYS 124 HB3 0.07 0.08 0.17 -0.04 1.79 2.08 1y08A1 LYS 124 HG2 0.03 -0.14 0.00 -0.04 1.46 1.31 1y08A1 LYS 124 HG3 0.07 -0.05 0.09 -0.04 1.46 1.54 1y08A1 LYS 124 HD2 0.00 0.12 0.15 -0.04 1.69 1.93 1y08A1 LYS 124 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 1y08A1 LYS 124 HE2 -0.01 -0.09 -0.04 -0.04 2.99 2.81 1y08A1 LYS 124 HE3 0.03 -0.12 -0.03 -0.04 2.99 2.82 1y08A1 GLN 125 H 0.01 0.40 -0.18 -0.55 8.47 8.15 1y08A1 GLN 125 HA -0.03 0.00 0.38 -0.75 4.36 3.95 1y08A1 GLN 125 HB2 -0.00 0.06 0.14 -0.04 2.15 2.31 1y08A1 GLN 125 HB3 -0.03 0.13 0.15 -0.04 2.02 2.23 1y08A1 GLN 125 HG2 -0.09 -0.09 -0.18 -0.04 2.40 2.00 1y08A1 GLN 125 HG3 -0.07 -0.14 0.09 -0.04 2.39 2.23 1y08A1 GLN 125 HE21 -0.05 0.05 -0.02 -0.04 6.97 6.91 1y08A1 GLN 125 HE22 -0.09 -0.17 -0.02 -0.04 7.69 7.37 1y08A1 LYS 126 H -0.03 0.27 -0.16 -0.55 8.42 7.95 1y08A1 LYS 126 HA -0.09 0.19 1.16 -0.75 4.32 4.83 1y08A1 LYS 126 HB2 -0.03 0.02 0.02 -0.04 1.87 1.84 1y08A1 LYS 126 HB3 -0.04 0.00 0.00 -0.04 1.79 1.71 1y08A1 LYS 126 HG2 -0.09 -0.04 0.00 -0.04 1.46 1.28 1y08A1 LYS 126 HG3 -0.07 -0.11 -0.24 -0.04 1.46 1.00 1y08A1 LYS 126 HD2 -0.03 0.04 -0.03 -0.04 1.69 1.63 1y08A1 LYS 126 HD3 -0.04 0.00 -0.05 -0.04 1.68 1.55 1y08A1 LYS 126 HE2 -0.05 -0.03 -0.04 -0.04 2.99 2.82 1y08A1 LYS 126 HE3 -0.04 0.02 -0.03 -0.04 2.99 2.90 1y08A1 ILE 127 H -0.02 0.53 0.31 -0.55 8.25 8.51 1y08A1 ILE 127 HA 0.05 0.25 0.88 -0.75 4.18 4.60 1y08A1 ILE 127 HB -0.05 -0.17 0.15 -0.04 1.89 1.78 1y08A1 ILE 127 HG12 0.03 0.16 -0.10 -0.04 1.49 1.53 1y08A1 ILE 127 HG13 0.04 -0.07 -0.27 -0.04 1.21 0.87 1y08A1 ILE 127 HG23 0.05 0.01 -0.15 -0.04 0.93 0.81 1y08A1 ILE 127 HD13 -0.10 -0.02 -0.18 -0.04 0.88 0.54 1y08A1 ASN 128 H 0.10 0.30 0.12 -0.55 8.53 8.50 1y08A1 ASN 128 HA 0.05 0.19 0.94 -0.75 4.76 5.19 1y08A1 ASN 128 HB2 0.07 0.02 0.01 -0.04 2.88 2.94 1y08A1 ASN 128 HB3 0.07 -0.08 -0.26 -0.04 2.79 2.48 1y08A1 ASN 128 HD21 0.01 -0.00 -0.14 -0.04 7.03 6.86 1y08A1 ASN 128 HD22 0.03 0.04 -0.09 -0.04 7.74 7.68 1y08A1 PHE 129 H 0.18 0.88 0.21 -0.55 8.34 9.06 1y08A1 PHE 129 HA 0.02 0.17 0.94 -0.75 4.62 4.99 1y08A1 PHE 129 HB2 0.03 0.05 0.12 -0.04 3.15 3.31 1y08A1 PHE 129 HB3 0.02 0.01 0.01 -0.04 3.06 3.06 1y08A1 PHE 129 HD2 0.03 0.05 -0.39 -0.04 7.28 6.93 1y08A1 PHE 129 HE2 0.02 0.17 -0.11 -0.04 7.38 7.42 1y08A1 PHE 129 HZ 0.04 -0.05 -0.36 -0.04 7.32 6.90 1y08A1 ASN 130 H 0.07 0.22 0.06 -0.55 8.53 8.33 1y08A1 ASN 130 HA 0.03 0.03 0.32 -0.75 4.76 4.39 1y08A1 ASN 130 HB2 0.02 -0.01 -0.05 -0.04 2.88 2.81 1y08A1 ASN 130 HB3 0.06 0.14 -0.07 -0.04 2.79 2.88 1y08A1 ASN 130 HD21 0.01 -0.01 0.03 -0.04 7.03 7.02 1y08A1 ASN 130 HD22 0.03 0.02 0.03 -0.04 7.74 7.77 1y08A1 GLY 131 H 0.06 0.07 -0.26 -0.55 8.43 7.75 1y08A1 GLY 131 HA2 0.03 -0.02 0.24 -0.51 4.01 3.76 1y08A1 GLY 131 HA3 0.03 0.14 0.51 -0.51 4.01 4.18 1y08A1 GLU 132 H 0.08 0.54 -0.55 -0.55 8.60 8.13 1y08A1 GLU 132 HA 0.03 0.14 0.92 -0.75 4.29 4.62 1y08A1 GLU 132 HB2 0.08 0.05 0.08 -0.04 2.09 2.25 1y08A1 GLU 132 HB3 0.03 0.01 -0.01 -0.04 1.99 1.99 1y08A1 GLU 132 HG2 0.06 0.18 -0.06 -0.04 2.34 2.48 1y08A1 GLU 132 HG3 0.05 -0.03 -0.02 -0.04 2.34 2.30 1y08A1 GLN 133 H 0.01 0.15 0.12 -0.55 8.47 8.21 1y08A1 GLN 133 HA -0.01 0.08 0.62 -0.75 4.36 4.30 1y08A1 GLN 133 HB2 -0.01 0.01 0.05 -0.04 2.15 2.15 1y08A1 GLN 133 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.07 1y08A1 GLN 133 HG2 -0.04 -0.03 -0.36 -0.04 2.40 1.93 1y08A1 GLN 133 HG3 -0.04 0.06 -0.03 -0.04 2.39 2.34 1y08A1 GLN 133 HE21 -0.07 -0.02 -0.09 -0.04 6.97 6.75 1y08A1 GLN 133 HE22 -0.07 -0.03 -0.22 -0.04 7.69 7.33 1y08A1 MET 134 H -0.07 0.76 0.50 -0.55 8.47 9.11 1y08A1 MET 134 HA -0.04 0.16 0.86 -0.75 4.52 4.74 1y08A1 MET 134 HB2 -0.29 0.07 0.04 -0.04 2.15 1.93 1y08A1 MET 134 HB3 -0.13 -0.05 0.03 -0.04 2.03 1.84 1y08A1 MET 134 HG2 -0.33 0.00 -0.06 -0.04 2.63 2.21 1y08A1 MET 134 HG3 -1.79 0.01 -0.12 -0.04 2.56 0.62 1y08A1 MET 134 HE3 -0.01 0.02 -0.35 -0.04 2.10 1.71 1y08A1 PHE 135 H -0.04 0.30 0.28 -0.55 8.34 8.32 1y08A1 PHE 135 HA -0.18 0.06 0.63 -0.75 4.62 4.38 1y08A1 PHE 135 HB2 -1.12 0.15 -0.32 -0.04 3.15 1.81 1y08A1 PHE 135 HB3 -0.56 0.02 -0.05 -0.04 3.06 2.43 1y08A1 PHE 135 HD2 -0.25 0.08 -0.07 -0.04 7.28 7.00 1y08A1 PHE 135 HE2 0.08 -0.01 -0.14 -0.04 7.38 7.27 1y08A1 PHE 135 HZ 0.36 -0.04 -0.05 -0.04 7.32 7.54 1y08A1 ASP 136 H -0.84 0.22 0.10 -0.55 8.40 7.33 1y08A1 ASP 136 HA -0.31 0.35 0.92 -0.75 4.63 4.84 1y08A1 ASP 136 HB2 -0.19 0.10 -0.05 -0.04 2.71 2.53 1y08A1 ASP 136 HB3 -0.27 -0.08 0.18 -0.04 2.70 2.49 1y08A1 VAL 137 H -0.32 0.88 0.29 -0.55 8.24 8.54 1y08A1 VAL 137 HA -0.46 -0.00 0.42 -0.75 4.13 3.33 1y08A1 VAL 137 HB 0.06 0.16 0.12 -0.04 2.12 2.42 1y08A1 VAL 137 HG13 -0.04 0.04 -0.03 -0.04 0.97 0.90 1y08A1 VAL 137 HG23 0.33 -0.01 0.02 -0.04 0.95 1.25 1y08A1 LYS 138 H -0.19 0.18 -0.20 -0.55 8.42 7.66 1y08A1 LYS 138 HA -0.13 0.13 0.46 -0.75 4.32 4.03 1y08A1 LYS 138 HB2 -0.11 0.01 0.07 -0.04 1.87 1.80 1y08A1 LYS 138 HB3 -0.10 0.03 -0.12 -0.04 1.79 1.57 1y08A1 LYS 138 HG2 -0.06 0.04 -0.00 -0.04 1.46 1.40 1y08A1 LYS 138 HG3 -0.07 0.00 0.05 -0.04 1.46 1.40 1y08A1 LYS 138 HD2 -0.04 -0.01 -0.05 -0.04 1.69 1.54 1y08A1 LYS 138 HD3 -0.05 0.00 0.01 -0.04 1.68 1.61 1y08A1 LYS 138 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.90 1y08A1 LYS 138 HE3 0.00 0.06 -0.03 -0.04 2.99 2.98 1y08A1 GLU 139 H -0.22 0.20 -0.24 -0.55 8.60 7.80 1y08A1 GLU 139 HA -0.10 0.10 0.49 -0.75 4.29 4.03 1y08A1 GLU 139 HB2 -0.21 0.12 0.13 -0.04 2.09 2.09 1y08A1 GLU 139 HB3 -0.08 -0.01 0.02 -0.04 1.99 1.87 1y08A1 GLU 139 HG2 -0.08 0.03 0.01 -0.04 2.34 2.25 1y08A1 GLU 139 HG3 -0.14 -0.05 0.04 -0.04 2.34 2.15 1y08A1 ALA 140 H -0.24 0.38 -0.19 -0.55 8.40 7.80 1y08A1 ALA 140 HA 0.09 -0.19 0.39 -0.75 4.34 3.89 1y08A1 ALA 140 HB3 0.28 0.07 0.05 -0.04 1.41 1.76 1y08A1 ILE 141 H -0.17 0.60 -0.12 -0.55 8.25 8.01 1y08A1 ILE 141 HA -0.13 0.03 0.42 -0.75 4.18 3.74 1y08A1 ILE 141 HB -0.19 0.06 0.17 -0.04 1.89 1.89 1y08A1 ILE 141 HG12 -1.04 -0.02 0.03 -0.04 1.49 0.41 1y08A1 ILE 141 HG13 -0.70 0.10 0.09 -0.04 1.21 0.66 1y08A1 ILE 141 HG23 -0.12 -0.00 -0.09 -0.04 0.93 0.67 1y08A1 ILE 141 HD13 -0.22 -0.01 -0.05 -0.04 0.88 0.56 1y08A1 ASP 142 H -0.10 0.48 -0.22 -0.55 8.40 8.01 1y08A1 ASP 142 HA -0.08 0.05 0.41 -0.75 4.63 4.25 1y08A1 ASP 142 HB2 -0.07 0.06 0.15 -0.04 2.71 2.81 1y08A1 ASP 142 HB3 -0.08 0.05 0.17 -0.04 2.70 2.80 1y08A1 THR 143 H -0.12 0.40 -0.30 -0.55 8.28 7.71 1y08A1 THR 143 HA -0.64 0.19 0.92 -0.75 4.39 4.10 1y08A1 THR 143 HB -0.29 -0.06 0.22 -0.04 4.32 4.14 1y08A1 THR 143 HG23 -0.04 0.04 -0.02 -0.04 1.22 1.15 1y08A1 LYS 144 H -0.16 0.45 -0.27 -0.55 8.42 7.89 1y08A1 LYS 144 HA -0.64 -0.07 0.37 -0.75 4.32 3.23 1y08A1 LYS 144 HB2 -0.71 -0.08 0.08 -0.04 1.87 1.12 1y08A1 LYS 144 HB3 -0.09 0.10 0.19 -0.04 1.79 1.94 1y08A1 LYS 144 HG2 -0.04 0.18 0.08 -0.04 1.46 1.64 1y08A1 LYS 144 HG3 0.10 -0.08 -0.18 -0.04 1.46 1.25 1y08A1 LYS 144 HD2 0.10 0.01 -0.02 -0.04 1.69 1.74 1y08A1 LYS 144 HD3 0.13 0.00 0.07 -0.04 1.68 1.84 1y08A1 LYS 144 HE2 0.09 0.00 -0.04 -0.04 2.99 3.00 1y08A1 LYS 144 HE3 0.03 0.06 0.01 -0.04 2.99 3.06 1y08A1 ASN 145 H -0.10 0.14 -0.40 -0.55 8.53 7.63 1y08A1 ASN 145 HA 0.27 0.10 0.46 -0.75 4.76 4.84 1y08A1 ASN 145 HB2 0.10 0.05 0.01 -0.04 2.88 3.00 1y08A1 ASN 145 HB3 0.13 -0.05 0.06 -0.04 2.79 2.89 1y08A1 ASN 145 HD21 -0.02 0.04 0.00 -0.04 7.03 7.01 1y08A1 ASN 145 HD22 0.00 0.03 -0.00 -0.04 7.74 7.73 1y08A1 HIS 146 H -0.05 0.48 -0.27 -0.55 8.41 8.02 1y08A1 HIS 146 HA 0.06 0.02 0.48 -0.75 4.63 4.44 1y08A1 HIS 146 HB2 0.06 0.04 -0.03 -0.04 3.26 3.29 1y08A1 HIS 146 HB3 0.05 -0.17 -0.09 -0.04 3.20 2.94 1y08A1 HIS 146 HD2 0.04 -0.07 -0.21 -0.04 6.97 6.69 1y08A1 HIS 146 HE1 0.01 0.03 0.01 -0.04 7.75 7.75 1y08A1 GLN 147 H 0.05 0.16 0.20 -0.55 8.47 8.34 1y08A1 GLN 147 HA -0.04 0.07 0.32 -0.75 4.36 3.95 1y08A1 GLN 147 HB2 -0.02 -0.11 0.19 -0.04 2.15 2.17 1y08A1 GLN 147 HB3 -0.06 0.11 0.06 -0.04 2.02 2.09 1y08A1 GLN 147 HG2 -0.55 0.04 0.02 -0.04 2.40 1.86 1y08A1 GLN 147 HG3 -0.43 0.02 0.08 -0.04 2.39 2.03 1y08A1 GLN 147 HE21 0.03 0.44 0.20 -0.04 6.97 7.61 1y08A1 GLN 147 HE22 -0.17 0.00 0.09 -0.04 7.69 7.57 1y08A1 LEU 148 H 0.06 0.04 0.03 -0.55 8.37 7.95 1y08A1 LEU 148 HA 0.09 0.35 0.82 -0.75 4.35 4.85 1y08A1 LEU 148 HB2 0.05 -0.04 0.07 -0.04 1.64 1.68 1y08A1 LEU 148 HB3 0.07 0.04 0.05 -0.04 1.64 1.76 1y08A1 LEU 148 HG 0.04 -0.10 -0.02 -0.04 1.64 1.52 1y08A1 LEU 148 HD13 0.05 -0.01 0.02 -0.04 0.93 0.95 1y08A1 LEU 148 HD23 0.08 0.04 -0.04 -0.04 0.89 0.92 1y08A1 ASP 149 H 0.14 0.00 -0.25 -0.55 8.40 7.74 1y08A1 ASP 149 HA 0.13 0.26 0.81 -0.75 4.63 5.08 1y08A1 ASP 149 HB2 0.10 0.03 0.12 -0.04 2.71 2.91 1y08A1 ASP 149 HB3 0.08 0.06 -0.18 -0.04 2.70 2.61 1y08A1 SER 150 H 0.19 0.20 -0.19 -0.55 8.46 8.12 1y08A1 SER 150 HA 0.11 0.17 0.46 -0.75 4.49 4.48 1y08A1 SER 150 HB2 0.20 -0.03 0.05 -0.04 3.95 4.13 1y08A1 SER 150 HB3 0.20 0.45 0.14 -0.04 3.93 4.69 1y08A1 LYS 151 H 0.08 0.23 0.14 -0.55 8.42 8.31 1y08A1 LYS 151 HA 0.12 0.16 0.49 -0.75 4.32 4.34 1y08A1 LYS 151 HB2 0.06 0.02 -0.15 -0.04 1.87 1.75 1y08A1 LYS 151 HB3 0.08 -0.01 -0.06 -0.04 1.79 1.76 1y08A1 LYS 151 HG2 0.05 0.06 0.01 -0.04 1.46 1.55 1y08A1 LYS 151 HG3 -0.01 0.02 -0.08 -0.04 1.46 1.35 1y08A1 LYS 151 HD2 0.02 -0.03 -0.01 -0.04 1.69 1.63 1y08A1 LYS 151 HD3 0.07 -0.01 -0.00 -0.04 1.68 1.70 1y08A1 LYS 151 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.94 1y08A1 LYS 151 HE3 0.03 0.02 -0.03 -0.04 2.99 2.97 1y08A1 LEU 152 H 0.24 0.15 -0.14 -0.55 8.37 8.07 1y08A1 LEU 152 HA 0.25 0.14 0.49 -0.75 4.35 4.48 1y08A1 LEU 152 HB2 0.32 0.04 0.05 -0.04 1.64 2.01 1y08A1 LEU 152 HB3 0.12 -0.01 0.04 -0.04 1.64 1.74 1y08A1 LEU 152 HG -0.99 -0.03 -0.27 -0.04 1.64 0.30 1y08A1 LEU 152 HD13 -0.48 0.01 -0.00 -0.04 0.93 0.41 1y08A1 LEU 152 HD23 -0.48 0.03 -0.05 -0.04 0.89 0.35 1y08A1 PHE 153 H 0.17 0.13 -0.27 -0.55 8.34 7.82 1y08A1 PHE 153 HA -0.18 0.08 0.36 -0.75 4.62 4.13 1y08A1 PHE 153 HB2 -0.03 -0.01 0.01 -0.04 3.15 3.09 1y08A1 PHE 153 HB3 0.02 0.12 -0.09 -0.04 3.06 3.07 1y08A1 PHE 153 HD2 0.08 0.09 -0.12 -0.04 7.28 7.29 1y08A1 PHE 153 HE2 0.01 -0.05 -0.16 -0.04 7.38 7.15 1y08A1 PHE 153 HZ -0.05 0.00 -0.05 -0.04 7.32 7.18 1y08A1 GLU 154 H 0.11 0.32 -0.45 -0.55 8.60 8.03 1y08A1 GLU 154 HA -0.06 0.02 0.38 -0.75 4.29 3.87 1y08A1 GLU 154 HB2 0.08 0.11 0.01 -0.04 2.09 2.24 1y08A1 GLU 154 HB3 0.11 0.07 0.12 -0.04 1.99 2.24 1y08A1 GLU 154 HG2 0.05 0.01 -0.24 -0.04 2.34 2.11 1y08A1 GLU 154 HG3 0.01 -0.04 -0.00 -0.04 2.34 2.27 1y08A1 TYR 155 H 0.17 0.52 -0.20 -0.55 8.29 8.23 1y08A1 TYR 155 HA -0.02 0.07 0.45 -0.75 4.56 4.30 1y08A1 TYR 155 HB2 0.24 0.02 0.18 -0.04 3.06 3.46 1y08A1 TYR 155 HB3 -0.20 0.12 0.20 -0.04 2.98 3.06 1y08A1 TYR 155 HD2 -0.19 0.06 0.01 -0.04 7.15 6.99 1y08A1 TYR 155 HE2 -0.16 0.07 -0.06 -0.04 6.85 6.66 1y08A1 PHE 156 H -0.06 0.46 -0.24 -0.55 8.34 7.95 1y08A1 PHE 156 HA -0.48 0.01 0.36 -0.75 4.62 3.76 1y08A1 PHE 156 HB2 -0.07 0.03 0.10 -0.04 3.15 3.17 1y08A1 PHE 156 HB3 0.11 -0.06 -0.09 -0.04 3.06 2.98 1y08A1 PHE 156 HD2 -0.00 -0.02 -0.12 -0.04 7.28 7.10 1y08A1 PHE 156 HE2 0.04 0.01 -0.12 -0.04 7.38 7.28 1y08A1 PHE 156 HZ -0.32 0.00 -0.14 -0.04 7.32 6.82 1y08A1 LYS 157 H -0.32 0.60 -0.15 -0.55 8.42 7.99 1y08A1 LYS 157 HA -0.21 0.10 0.30 -0.75 4.32 3.77 1y08A1 LYS 157 HB2 -0.33 -0.20 -0.14 -0.04 1.87 1.16 1y08A1 LYS 157 HB3 -0.77 -0.00 0.02 -0.04 1.79 1.00 1y08A1 LYS 157 HG2 -0.28 0.17 0.13 -0.04 1.46 1.44 1y08A1 LYS 157 HG3 -0.21 0.06 -0.31 -0.04 1.46 0.96 1y08A1 LYS 157 HD2 -0.13 0.05 -0.03 -0.04 1.69 1.54 1y08A1 LYS 157 HD3 -0.20 -0.25 -0.04 -0.04 1.68 1.15 1y08A1 LYS 157 HE2 -0.79 -0.05 -0.05 -0.04 2.99 2.06 1y08A1 LYS 157 HE3 -0.25 0.07 -0.20 -0.04 2.99 2.57 1y08A1 GLU 158 H -0.17 0.55 -0.15 -0.55 8.60 8.28 1y08A1 GLU 158 HA -0.16 0.10 0.74 -0.75 4.29 4.21 1y08A1 GLU 158 HB2 -0.05 0.11 0.09 -0.04 2.09 2.19 1y08A1 GLU 158 HB3 -0.05 -0.01 -0.02 -0.04 1.99 1.87 1y08A1 GLU 158 HG2 -0.09 -0.03 0.02 -0.04 2.34 2.20 1y08A1 GLU 158 HG3 -0.03 -0.03 -0.01 -0.04 2.34 2.22 1y08A1 LYS 159 H -0.24 0.40 0.08 -0.55 8.42 8.11 1y08A1 LYS 159 HA -0.13 0.22 1.00 -0.75 4.32 4.66 1y08A1 LYS 159 HB2 -0.39 0.02 0.15 -0.04 1.87 1.61 1y08A1 LYS 159 HB3 -0.16 -0.02 0.01 -0.04 1.79 1.58 1y08A1 LYS 159 HG2 0.02 -0.10 -0.02 -0.04 1.46 1.33 1y08A1 LYS 159 HG3 0.12 0.12 0.09 -0.04 1.46 1.74 1y08A1 LYS 159 HD2 -0.05 -0.01 -0.01 -0.04 1.69 1.58 1y08A1 LYS 159 HD3 -0.04 0.12 -0.27 -0.04 1.68 1.45 1y08A1 LYS 159 HE2 0.01 -0.06 -0.07 -0.04 2.99 2.84 1y08A1 LYS 159 HE3 0.01 0.06 0.02 -0.04 2.99 3.03 1y08A1 ALA 160 H -0.74 0.49 0.19 -0.55 8.40 7.79 1y08A1 ALA 160 HA -0.55 0.09 0.51 -0.75 4.34 3.64 1y08A1 ALA 160 HB3 -1.37 -0.03 0.04 -0.04 1.41 0.02 1y08A1 PHE 161 H -0.38 0.59 -0.01 -0.55 8.34 7.98 1y08A1 PHE 161 HA -0.10 0.21 0.77 -0.75 4.62 4.75 1y08A1 PHE 161 HB2 -0.17 -0.02 0.06 -0.04 3.15 2.98 1y08A1 PHE 161 HB3 -0.14 -0.07 0.06 -0.04 3.06 2.87 1y08A1 PHE 161 HD2 -0.21 0.04 -0.12 -0.04 7.28 6.95 1y08A1 PHE 161 HE2 -0.69 -0.01 -0.11 -0.04 7.38 6.53 1y08A1 PHE 161 HZ -0.32 0.00 -0.10 -0.04 7.32 6.86 1y08A1 PRO 162 HA -0.22 0.08 0.57 -0.51 4.44 4.35 1y08A1 PRO 162 HB2 -0.13 -0.07 0.06 -0.04 2.28 2.10 1y08A1 PRO 162 HB3 -0.18 0.18 0.09 -0.04 2.02 2.07 1y08A1 PRO 162 HG2 0.05 -0.05 0.04 -0.04 2.03 2.03 1y08A1 PRO 162 HG3 -0.03 0.16 -0.04 -0.04 2.03 2.07 1y08A1 PRO 162 HD2 -0.06 0.18 -0.39 -0.04 3.68 3.37 1y08A1 PRO 162 HD3 -0.16 -0.00 -0.79 -0.04 3.65 2.65 1y08A1 TYR 163 H -0.24 0.25 0.40 -0.55 8.29 8.14 1y08A1 TYR 163 HA -0.05 -0.00 0.52 -0.75 4.56 4.27 1y08A1 TYR 163 HB2 -0.03 0.26 0.21 -0.04 3.06 3.45 1y08A1 TYR 163 HB3 -0.06 -0.08 0.16 -0.04 2.98 2.96 1y08A1 TYR 163 HD2 -0.03 0.18 -0.07 -0.04 7.15 7.19 1y08A1 TYR 163 HE2 -0.01 -0.02 -0.08 -0.04 6.85 6.69 1y08A1 LEU 164 H 0.07 0.32 -0.84 -0.55 8.37 7.37 1y08A1 LEU 164 HA 0.03 0.20 0.04 -0.75 4.35 3.86 1y08A1 LEU 164 HB2 -0.01 0.01 -0.02 -0.04 1.64 1.58 1y08A1 LEU 164 HB3 -0.05 -0.07 -0.04 -0.04 1.64 1.43 1y08A1 LEU 164 HG 0.11 0.03 -0.22 -0.04 1.64 1.52 1y08A1 LEU 164 HD13 0.16 0.00 -0.07 -0.04 0.93 0.98 1y08A1 LEU 164 HD23 0.05 0.03 -0.12 -0.04 0.89 0.81 1y08A1 LYS 167 HA -0.09 0.05 0.06 -0.75 4.32 3.59 1y08A1 LYS 167 HB2 -0.08 -0.01 0.05 -0.04 1.87 1.79 1y08A1 LYS 167 HB3 -0.00 0.01 -0.01 -0.04 1.79 1.74 1y08A1 LYS 167 HG2 -0.18 -0.01 -0.03 -0.04 1.46 1.20 1y08A1 LYS 167 HG3 -0.84 -0.04 -0.06 -0.04 1.46 0.47 1y08A1 LYS 167 HD2 -0.19 -0.03 0.04 -0.04 1.69 1.47 1y08A1 LYS 167 HD3 -0.11 0.06 0.07 -0.04 1.68 1.66 1y08A1 LYS 167 HE2 -0.18 0.01 0.02 -0.04 2.99 2.80 1y08A1 LYS 167 HE3 -0.16 -0.02 0.01 -0.04 2.99 2.79 1y08A1 HIS 168 H -0.26 0.10 -0.08 -0.55 8.41 7.63 1y08A1 HIS 168 HA 0.02 -0.06 0.29 -0.75 4.63 4.13 1y08A1 HIS 168 HB2 0.01 0.25 0.18 -0.04 3.26 3.65 1y08A1 HIS 168 HB3 0.01 -0.01 0.20 -0.04 3.20 3.37 1y08A1 HIS 168 HD2 0.01 0.08 -0.18 -0.04 6.97 6.83 1y08A1 HIS 168 HE1 0.04 -0.03 -0.01 -0.04 7.75 7.70 1y08A1 LEU 169 H -0.01 -0.05 0.02 -0.55 8.37 7.78 1y08A1 LEU 169 HA -0.01 0.24 1.07 -0.75 4.35 4.90 1y08A1 LEU 169 HB2 0.00 0.09 -0.14 -0.04 1.64 1.55 1y08A1 LEU 169 HB3 -0.04 -0.15 0.16 -0.04 1.64 1.57 1y08A1 LEU 169 HG -0.01 0.02 0.02 -0.04 1.64 1.63 1y08A1 LEU 169 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 1y08A1 LEU 169 HD23 -0.09 0.11 -0.13 -0.04 0.89 0.74 1y08A1 GLY 170 H -0.10 1.04 0.15 -0.55 8.43 8.98 1y08A1 GLY 170 HA2 -0.19 -0.06 0.40 -0.51 4.01 3.64 1y08A1 GLY 170 HA3 -0.22 0.10 0.63 -0.51 4.01 4.01 1y08A1 VAL 171 H -0.39 0.06 0.16 -0.55 8.24 7.51 1y08A1 VAL 171 HA -0.45 0.27 0.76 -0.75 4.13 3.95 1y08A1 VAL 171 HB -0.44 0.00 -0.08 -0.04 2.12 1.56 1y08A1 VAL 171 HG13 -0.37 0.03 -0.29 -0.04 0.97 0.30 1y08A1 VAL 171 HG23 -0.88 -0.03 -0.15 -0.04 0.95 -0.15 1y08A1 PHE 172 H -0.40 0.22 0.05 -0.55 8.34 7.66 1y08A1 PHE 172 HA -0.49 0.17 0.67 -0.75 4.62 4.21 1y08A1 PHE 172 HB2 -0.49 0.02 0.03 -0.04 3.15 2.67 1y08A1 PHE 172 HB3 -0.86 -0.06 -0.01 -0.04 3.06 2.08 1y08A1 PHE 172 HD2 -0.33 0.01 -0.08 -0.04 7.28 6.83 1y08A1 PHE 172 HE2 -0.06 0.03 -0.12 -0.04 7.38 7.18 1y08A1 PHE 172 HZ -0.03 0.07 -0.11 -0.04 7.32 7.21 1y08A1 PRO 173 HA -0.25 0.07 0.34 -0.51 4.44 4.08 1y08A1 PRO 173 HB2 -0.39 0.01 -0.01 -0.04 2.28 1.85 1y08A1 PRO 173 HB3 -0.23 0.06 -0.06 -0.04 2.02 1.75 1y08A1 PRO 173 HG2 -0.47 0.04 -0.01 -0.04 2.03 1.54 1y08A1 PRO 173 HG3 -0.32 0.23 0.14 -0.04 2.03 2.04 1y08A1 PRO 173 HD2 -1.67 0.11 0.10 -0.04 3.68 2.18 1y08A1 PRO 173 HD3 -0.41 0.13 0.22 -0.04 3.65 3.55 1y08A1 ASP 174 H -0.22 0.13 -0.22 -0.55 8.40 7.54 1y08A1 ASP 174 HA -0.01 0.12 0.38 -0.75 4.63 4.37 1y08A1 ASP 174 HB2 0.06 0.02 -0.08 -0.04 2.71 2.67 1y08A1 ASP 174 HB3 0.17 0.09 0.00 -0.04 2.70 2.92 1y08A1 HIS 175 H -0.02 0.14 -0.24 -0.55 8.41 7.74 1y08A1 HIS 175 HA -0.04 0.07 0.31 -0.75 4.63 4.21 1y08A1 HIS 175 HB2 -0.11 0.05 0.04 -0.04 3.26 3.20 1y08A1 HIS 175 HB3 -0.07 0.03 -0.10 -0.04 3.20 3.02 1y08A1 HIS 175 HD2 -0.03 -0.17 -0.15 -0.04 6.97 6.58 1y08A1 HIS 175 HE1 0.01 0.26 -0.09 -0.04 7.75 7.89 1y08A1 VAL 176 H -0.10 0.41 -0.27 -0.55 8.24 7.73 1y08A1 VAL 176 HA -0.03 0.08 0.30 -0.75 4.13 3.72 1y08A1 VAL 176 HB -0.22 0.05 -0.00 -0.04 2.12 1.91 1y08A1 VAL 176 HG13 -0.44 -0.00 -0.17 -0.04 0.97 0.32 1y08A1 VAL 176 HG23 -0.56 0.04 -0.24 -0.04 0.95 0.15 1y08A1 ILE 177 H -0.05 0.58 -0.16 -0.55 8.25 8.07 1y08A1 ILE 177 HA 0.02 0.01 0.40 -0.75 4.18 3.85 1y08A1 ILE 177 HB -0.06 0.08 0.13 -0.04 1.89 2.01 1y08A1 ILE 177 HG12 -0.12 -0.01 -0.02 -0.04 1.49 1.29 1y08A1 ILE 177 HG13 -0.09 0.01 0.06 -0.04 1.21 1.14 1y08A1 ILE 177 HG23 -0.19 -0.01 -0.13 -0.04 0.93 0.56 1y08A1 ILE 177 HD13 -0.09 -0.02 -0.13 -0.04 0.88 0.60 1y08A1 ASP 178 H 0.03 0.75 -0.05 -0.55 8.40 8.58 1y08A1 ASP 178 HA 0.10 -0.04 0.40 -0.75 4.63 4.34 1y08A1 ASP 178 HB2 0.03 0.11 0.07 -0.04 2.71 2.88 1y08A1 ASP 178 HB3 0.10 -0.04 -0.02 -0.04 2.70 2.71 1y08A1 MET 179 H 0.10 0.43 -0.53 -0.55 8.47 7.93 1y08A1 MET 179 HA 0.12 0.16 0.43 -0.75 4.52 4.48 1y08A1 MET 179 HB2 0.10 0.06 0.02 -0.04 2.15 2.29 1y08A1 MET 179 HB3 0.15 0.10 0.12 -0.04 2.03 2.37 1y08A1 MET 179 HG2 0.12 -0.06 -0.44 -0.04 2.63 2.20 1y08A1 MET 179 HG3 0.09 -0.01 -0.10 -0.04 2.56 2.50 1y08A1 MET 179 HE3 0.08 0.04 -0.18 -0.04 2.10 1.99 1y08A1 PHE 180 H 0.25 0.67 0.05 -0.55 8.34 8.76 1y08A1 PHE 180 HA 0.11 0.04 0.40 -0.75 4.62 4.42 1y08A1 PHE 180 HB2 0.17 0.06 0.09 -0.04 3.15 3.43 1y08A1 PHE 180 HB3 0.06 -0.00 0.15 -0.04 3.06 3.22 1y08A1 PHE 180 HD2 0.20 0.04 -0.11 -0.04 7.28 7.37 1y08A1 PHE 180 HE2 0.14 -0.00 -0.06 -0.04 7.38 7.42 1y08A1 PHE 180 HZ 0.63 -0.05 -0.04 -0.04 7.32 7.82 1y08A1 ILE 181 H 0.15 0.66 -0.04 -0.55 8.25 8.46 1y08A1 ILE 181 HA 0.18 0.01 0.60 -0.75 4.18 4.22 1y08A1 ILE 181 HB -0.11 0.02 0.14 -0.04 1.89 1.89 1y08A1 ILE 181 HG12 -0.30 -0.02 -0.04 -0.04 1.49 1.09 1y08A1 ILE 181 HG13 -0.06 -0.02 0.04 -0.04 1.21 1.13 1y08A1 ILE 181 HG23 -0.29 0.03 -0.12 -0.04 0.93 0.51 1y08A1 ILE 181 HD13 -1.26 -0.00 -0.04 -0.04 0.88 -0.47 1y08A1 ASN 182 H 0.07 0.18 0.05 -0.55 8.53 8.29 1y08A1 ASN 182 HA 0.05 0.35 0.46 -0.75 4.76 4.87 1y08A1 ASN 182 HB2 0.11 -0.04 0.06 -0.04 2.88 2.97 1y08A1 ASN 182 HB3 -0.16 0.06 -0.14 -0.04 2.79 2.51 1y08A1 ASN 182 HD21 0.22 0.33 0.02 -0.04 7.03 7.56 1y08A1 ASN 182 HD22 0.14 0.37 -0.30 -0.04 7.74 7.91 1y08A1 GLY 183 H 0.04 0.24 -0.19 -0.55 8.43 7.98 1y08A1 GLY 183 HA2 0.01 0.09 0.30 -0.51 4.01 3.90 1y08A1 GLY 183 HA3 -0.04 0.12 0.59 -0.51 4.01 4.17 1y08A1 TYR 184 H 0.09 0.28 -0.16 -0.55 8.29 7.95 1y08A1 TYR 184 HA -0.01 0.07 0.33 -0.75 4.56 4.20 1y08A1 TYR 184 HB2 -0.01 -0.07 -0.22 -0.04 3.06 2.71 1y08A1 TYR 184 HB3 -0.04 0.06 -0.18 -0.04 2.98 2.78 1y08A1 TYR 184 HD2 -0.01 0.03 0.01 -0.04 7.15 7.14 1y08A1 TYR 184 HE2 0.01 0.03 0.06 -0.04 6.85 6.91 1y08A1 ARG 185 H 0.08 0.16 0.14 -0.55 8.46 8.29 1y08A1 ARG 185 HA 0.04 -0.02 0.39 -0.75 4.34 3.99 1y08A1 ARG 185 HB2 0.02 -0.03 0.08 -0.04 1.90 1.93 1y08A1 ARG 185 HB3 0.01 -0.02 -0.12 -0.04 1.80 1.62 1y08A1 ARG 185 HG2 0.01 -0.05 -0.09 -0.04 1.67 1.50 1y08A1 ARG 185 HG3 0.01 0.29 -0.02 -0.04 1.67 1.91 1y08A1 ARG 185 HD2 0.00 -0.04 -0.03 -0.04 3.22 3.11 1y08A1 ARG 185 HD3 -0.00 -0.05 -0.06 -0.04 3.22 3.07 1y08A1 LEU 186 H 0.04 0.12 0.12 -0.55 8.37 8.10 1y08A1 LEU 186 HA -0.09 0.11 0.68 -0.75 4.35 4.30 1y08A1 LEU 186 HB2 0.07 0.08 -0.03 -0.04 1.64 1.72 1y08A1 LEU 186 HB3 0.10 -0.01 0.09 -0.04 1.64 1.78 1y08A1 LEU 186 HG -0.01 -0.01 -0.15 -0.04 1.64 1.44 1y08A1 LEU 186 HD13 0.02 0.01 -0.29 -0.04 0.93 0.62 1y08A1 LEU 186 HD23 0.02 -0.00 -0.38 -0.04 0.89 0.48 1y08A1 SER 187 H -0.12 0.23 0.11 -0.55 8.46 8.13 1y08A1 SER 187 HA -0.03 0.19 0.87 -0.75 4.49 4.77 1y08A1 SER 187 HB2 -0.05 0.09 -0.04 -0.04 3.95 3.90 1y08A1 SER 187 HB3 -0.09 0.04 0.12 -0.04 3.93 3.96 1y08A1 LEU 188 H -0.02 0.22 0.12 -0.55 8.37 8.14 1y08A1 LEU 188 HA -0.02 0.14 0.37 -0.75 4.35 4.08 1y08A1 LEU 188 HB2 -0.01 -0.02 0.03 -0.04 1.64 1.60 1y08A1 LEU 188 HB3 -0.00 0.07 0.05 -0.04 1.64 1.72 1y08A1 LEU 188 HG 0.01 -0.00 0.00 -0.04 1.64 1.61 1y08A1 LEU 188 HD13 0.02 0.01 -0.06 -0.04 0.93 0.86 1y08A1 LEU 188 HD23 -0.02 0.01 -0.12 -0.04 0.89 0.71 1y08A1 THR 189 H -0.08 -0.05 -0.42 -0.55 8.28 7.18 1y08A1 THR 189 HA -0.17 0.28 0.81 -0.75 4.39 4.55 1y08A1 THR 189 HB -0.08 0.01 0.07 -0.04 4.32 4.27 1y08A1 THR 189 HG23 -0.01 0.00 -0.08 -0.04 1.22 1.09 1y08A1 ASN 190 H -0.15 0.30 -0.28 -0.55 8.53 7.86 1y08A1 ASN 190 HA -0.17 0.05 0.64 -0.75 4.76 4.53 1y08A1 ASN 190 HB2 -0.10 -0.05 0.05 -0.04 2.88 2.74 1y08A1 ASN 190 HB3 -0.09 0.10 0.17 -0.04 2.79 2.94 1y08A1 ASN 190 HD21 -0.05 0.27 -0.36 -0.04 7.03 6.85 1y08A1 ASN 190 HD22 -0.29 -0.08 -0.07 -0.04 7.74 7.26 1y08A1 HIS 191 H -0.08 0.14 0.13 -0.55 8.41 8.06 1y08A1 HIS 191 HA 0.12 0.22 0.82 -0.75 4.63 5.04 1y08A1 HIS 191 HB2 0.04 -0.03 0.04 -0.04 3.26 3.27 1y08A1 HIS 191 HB3 0.07 -0.02 0.13 -0.04 3.20 3.33 1y08A1 HIS 191 HD2 0.02 -0.05 -0.01 -0.04 6.97 6.89 1y08A1 HIS 191 HE1 0.00 0.12 -0.06 -0.04 7.75 7.77 1y08A1 GLY 192 H 0.10 0.04 -0.18 -0.55 8.43 7.84 1y08A1 GLY 192 HA2 0.05 0.18 0.82 -0.51 4.01 4.55 1y08A1 GLY 192 HA3 0.04 0.03 0.28 -0.51 4.01 3.85 1y08A1 PRO 193 HA 0.11 -0.01 0.37 -0.51 4.44 4.40 1y08A1 PRO 193 HB2 -0.05 0.10 -0.09 -0.04 2.28 2.20 1y08A1 PRO 193 HB3 -0.05 -0.02 0.07 -0.04 2.02 1.98 1y08A1 PRO 193 HG2 -0.07 0.06 0.05 -0.04 2.03 2.03 1y08A1 PRO 193 HG3 -0.08 0.01 0.03 -0.04 2.03 1.95 1y08A1 PRO 193 HD2 -0.01 0.12 0.11 -0.04 3.68 3.86 1y08A1 PRO 193 HD3 -0.02 0.11 0.18 -0.04 3.65 3.88 1y08A1 THR 194 H 0.00 0.02 0.03 -0.55 8.28 7.79 1y08A1 THR 194 HA -0.21 0.14 0.37 -0.75 4.39 3.93 1y08A1 THR 194 HB -0.29 -0.06 0.00 -0.04 4.32 3.93 1y08A1 THR 194 HG23 -0.69 0.04 -0.22 -0.04 1.22 0.31 1y08A1 PRO 195 HA -0.07 0.03 0.45 -0.51 4.44 4.34 1y08A1 PRO 195 HB2 -0.02 0.00 0.07 -0.04 2.28 2.30 1y08A1 PRO 195 HB3 -0.02 0.02 0.01 -0.04 2.02 1.99 1y08A1 PRO 195 HG2 -0.05 0.01 0.05 -0.04 2.03 1.99 1y08A1 PRO 195 HG3 -0.05 0.07 0.01 -0.04 2.03 2.03 1y08A1 PRO 195 HD2 -0.12 0.08 0.18 -0.04 3.68 3.78 1y08A1 PRO 195 HD3 -0.13 0.22 0.22 -0.04 3.65 3.92 1y08A1 VAL 196 H -0.05 0.15 0.10 -0.55 8.24 7.89 1y08A1 VAL 196 HA 0.02 0.09 0.55 -0.75 4.13 4.04 1y08A1 VAL 196 HB 0.01 -0.01 0.18 -0.04 2.12 2.26 1y08A1 VAL 196 HG13 0.10 -0.00 -0.27 -0.04 0.97 0.76 1y08A1 VAL 196 HG23 -0.07 0.03 -0.02 -0.04 0.95 0.85 1y08A1 LYS 197 H 0.25 0.52 0.08 -0.55 8.42 8.71 1y08A1 LYS 197 HA 0.07 0.14 0.77 -0.75 4.32 4.54 1y08A1 LYS 197 HB2 0.04 0.03 0.06 -0.04 1.87 1.96 1y08A1 LYS 197 HB3 0.04 -0.01 -0.17 -0.04 1.79 1.61 1y08A1 LYS 197 HG2 0.06 -0.03 -0.26 -0.04 1.46 1.18 1y08A1 LYS 197 HG3 0.08 0.11 -0.21 -0.04 1.46 1.40 1y08A1 LYS 197 HD2 0.02 0.04 -0.05 -0.04 1.69 1.66 1y08A1 LYS 197 HD3 0.02 -0.05 -0.09 -0.04 1.68 1.51 1y08A1 LYS 197 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 1y08A1 LYS 197 HE3 0.00 -0.05 -0.04 -0.04 2.99 2.87 1y08A1 GLU 198 H 0.03 0.08 0.11 -0.55 8.60 8.28 1y08A1 GLU 198 HA -0.01 0.15 0.32 -0.75 4.29 3.99 1y08A1 GLU 198 HB2 0.01 -0.05 0.07 -0.04 2.09 2.08 1y08A1 GLU 198 HB3 -0.01 0.01 0.06 -0.04 1.99 2.01 1y08A1 GLU 198 HG2 -0.00 0.26 0.06 -0.04 2.34 2.62 1y08A1 GLU 198 HG3 0.01 -0.07 0.07 -0.04 2.34 2.31 1y08A1 GLY 199 H -0.04 0.33 0.20 -0.55 8.43 8.38 1y08A1 GLY 199 HA2 -0.01 -0.01 0.33 -0.51 4.01 3.82 1y08A1 GLY 199 HA3 0.00 0.10 0.35 -0.51 4.01 3.96 1y08A1 SER 200 H -0.01 0.07 0.12 -0.55 8.46 8.10 1y08A1 SER 200 HA -0.03 0.07 0.54 -0.75 4.49 4.33 1y08A1 SER 200 HB2 -0.02 0.07 0.10 -0.04 3.95 4.05 1y08A1 SER 200 HB3 -0.02 -0.03 0.10 -0.04 3.93 3.94 1y08A1 LYS 201 H -0.03 0.05 0.15 -0.55 8.42 8.04 1y08A1 LYS 201 HA -0.04 0.27 0.52 -0.75 4.32 4.31 1y08A1 LYS 201 HB2 -0.03 -0.01 0.11 -0.04 1.87 1.90 1y08A1 LYS 201 HB3 -0.02 -0.08 0.04 -0.04 1.79 1.69 1y08A1 LYS 201 HG2 -0.00 0.18 -0.31 -0.04 1.46 1.29 1y08A1 LYS 201 HG3 -0.03 -0.03 0.01 -0.04 1.46 1.38 1y08A1 LYS 201 HD2 -0.01 0.19 -0.00 -0.04 1.69 1.82 1y08A1 LYS 201 HD3 -0.02 -0.06 -0.01 -0.04 1.68 1.55 1y08A1 LYS 201 HE2 -0.01 -0.13 -0.10 -0.04 2.99 2.71 1y08A1 LYS 201 HE3 0.01 0.05 -0.22 -0.04 2.99 2.79 1y08A1 ASP 202 H 0.00 0.65 0.15 -0.55 8.40 8.65 1y08A1 ASP 202 HA 0.01 0.06 0.48 -0.75 4.63 4.43 1y08A1 ASP 202 HB2 0.04 0.08 -0.21 -0.04 2.71 2.58 1y08A1 ASP 202 HB3 0.05 -0.05 -0.05 -0.04 2.70 2.61 1y08A1 PRO 203 HA 0.05 0.14 0.33 -0.51 4.44 4.45 1y08A1 PRO 203 HB2 -0.28 0.02 -0.01 -0.04 2.28 1.96 1y08A1 PRO 203 HB3 -0.14 0.02 0.11 -0.04 2.02 1.97 1y08A1 PRO 203 HG2 -0.03 0.00 0.04 -0.04 2.03 2.01 1y08A1 PRO 203 HG3 -0.14 0.03 0.07 -0.04 2.03 1.95 1y08A1 PRO 203 HD2 -0.01 0.02 0.25 -0.04 3.68 3.89 1y08A1 PRO 203 HD3 -0.04 0.23 0.22 -0.04 3.65 4.02 1y08A1 ARG 204 H 0.12 0.01 -0.49 -0.55 8.46 7.54 1y08A1 ARG 204 HA 0.33 0.10 0.45 -0.75 4.34 4.47 1y08A1 ARG 204 HB2 0.04 -0.04 -0.07 -0.04 1.90 1.80 1y08A1 ARG 204 HB3 -0.02 -0.05 0.02 -0.04 1.80 1.71 1y08A1 ARG 204 HG2 0.09 0.03 -0.07 -0.04 1.67 1.68 1y08A1 ARG 204 HG3 0.19 -0.07 -0.06 -0.04 1.67 1.69 1y08A1 ARG 204 HD2 -0.35 -0.06 0.07 -0.04 3.22 2.84 1y08A1 ARG 204 HD3 -0.07 0.12 0.07 -0.04 3.22 3.31 1y08A1 GLY 205 H 0.08 0.58 -0.42 -0.55 8.43 8.12 1y08A1 GLY 205 HA2 -0.06 0.09 0.70 -0.51 4.01 4.23 1y08A1 GLY 205 HA3 0.03 0.06 0.18 -0.51 4.01 3.77 1y08A1 GLY 206 H -0.04 0.36 0.03 -0.55 8.43 8.23 1y08A1 GLY 206 HA2 -0.02 0.05 -0.20 -0.51 4.01 3.33 1y08A1 GLY 206 HA3 -0.03 0.06 0.32 -0.51 4.01 3.85 1y08A1 ILE 207 H -0.26 0.30 -0.08 -0.55 8.25 7.66 1y08A1 ILE 207 HA -0.19 0.13 0.35 -0.75 4.18 3.71 1y08A1 ILE 207 HB -0.64 -0.01 0.13 -0.04 1.89 1.33 1y08A1 ILE 207 HG12 -0.20 0.10 -0.05 -0.04 1.49 1.30 1y08A1 ILE 207 HG13 -0.38 0.01 -0.06 -0.04 1.21 0.74 1y08A1 ILE 207 HG23 -0.86 0.02 -0.12 -0.04 0.93 -0.06 1y08A1 ILE 207 HD13 -0.67 -0.04 -0.03 -0.04 0.88 0.10 1y08A1 PHE 208 H 0.01 0.35 -0.04 -0.55 8.34 8.11 1y08A1 PHE 208 HA -0.16 0.19 0.88 -0.75 4.62 4.77 1y08A1 PHE 208 HB2 0.06 0.04 0.09 -0.04 3.15 3.29 1y08A1 PHE 208 HB3 -0.02 -0.07 0.18 -0.04 3.06 3.11 1y08A1 PHE 208 HD2 -0.40 0.01 -0.02 -0.04 7.28 6.83 1y08A1 PHE 208 HE2 0.44 -0.02 -0.06 -0.04 7.38 7.70 1y08A1 PHE 208 HZ 0.36 -0.04 -0.07 -0.04 7.32 7.52 1y08A1 ASP 209 H 0.07 0.54 -0.43 -0.55 8.40 8.03 1y08A1 ASP 209 HA 0.11 0.27 0.26 -0.75 4.63 4.51 1y08A1 ASP 209 HB2 -0.02 -0.03 0.14 -0.04 2.71 2.76 1y08A1 ASP 209 HB3 0.01 -0.02 -0.00 -0.04 2.70 2.64 1y08A1 ALA 210 H 0.23 0.13 -0.48 -0.55 8.40 7.72 1y08A1 ALA 210 HA -0.04 0.08 0.46 -0.75 4.34 4.08 1y08A1 ALA 210 HB3 -0.40 -0.00 0.02 -0.04 1.41 0.99 1y08A1 VAL 211 H 0.17 0.25 -0.30 -0.55 8.24 7.80 1y08A1 VAL 211 HA -0.07 0.20 0.86 -0.75 4.13 4.36 1y08A1 VAL 211 HB -0.13 -0.01 0.10 -0.04 2.12 2.03 1y08A1 VAL 211 HG13 -0.99 -0.01 -0.19 -0.04 0.97 -0.26 1y08A1 VAL 211 HG23 0.33 -0.02 -0.11 -0.04 0.95 1.11 1y08A1 PHE 212 H 0.07 0.52 0.13 -0.55 8.34 8.52 1y08A1 PHE 212 HA -0.05 0.08 0.72 -0.75 4.62 4.61 1y08A1 PHE 212 HB2 -0.03 -0.03 -0.00 -0.04 3.15 3.04 1y08A1 PHE 212 HB3 -0.03 0.09 0.06 -0.04 3.06 3.14 1y08A1 PHE 212 HD2 -0.17 0.11 0.04 -0.04 7.28 7.22 1y08A1 PHE 212 HE2 -1.37 -0.06 -0.04 -0.04 7.38 5.87 1y08A1 PHE 212 HZ -1.24 0.08 -0.05 -0.04 7.32 6.06 1y08A1 THR 213 H -0.02 0.22 0.02 -0.55 8.28 7.95 1y08A1 THR 213 HA -0.04 0.22 0.45 -0.75 4.39 4.27 1y08A1 THR 213 HB -0.04 -0.05 0.08 -0.04 4.32 4.27 1y08A1 THR 213 HG23 -0.03 0.09 -0.13 -0.04 1.22 1.10 1y08A1 ARG 214 H -0.12 0.19 0.15 -0.55 8.46 8.12 1y08A1 ARG 214 HA -0.48 0.11 0.73 -0.75 4.34 3.94 1y08A1 ARG 214 HB2 -0.22 -0.06 0.13 -0.04 1.90 1.71 1y08A1 ARG 214 HB3 -0.47 0.13 0.01 -0.04 1.80 1.43 1y08A1 ARG 214 HG2 -1.20 -0.10 -0.23 -0.04 1.67 0.10 1y08A1 ARG 214 HG3 -0.35 0.14 -0.09 -0.04 1.67 1.33 1y08A1 ARG 214 HD2 -0.29 -0.06 -0.24 -0.04 3.22 2.59 1y08A1 ARG 214 HD3 -0.25 -0.01 -0.64 -0.04 3.22 2.27 1y08A1 GLY 215 H 0.29 0.17 -0.11 -0.55 8.43 8.23 1y08A1 GLY 215 HA2 0.12 0.01 -0.31 -0.51 4.01 3.32 1y08A1 GLY 215 HA3 0.05 0.13 0.35 -0.51 4.01 4.03 1y08A1 ASP 216 H 0.07 0.21 -0.61 -0.55 8.40 7.53 1y08A1 ASP 216 HA 0.04 0.14 0.71 -0.75 4.63 4.77 1y08A1 ASP 216 HB2 0.02 0.09 -0.12 -0.04 2.71 2.66 1y08A1 ASP 216 HB3 0.04 0.05 -0.02 -0.04 2.70 2.73 1y08A1 GLN 217 H 0.05 0.25 0.10 -0.55 8.47 8.33 1y08A1 GLN 217 HA 0.06 0.07 0.33 -0.75 4.36 4.08 1y08A1 GLN 217 HB2 0.03 0.05 0.12 -0.04 2.15 2.31 1y08A1 GLN 217 HB3 0.04 -0.01 0.07 -0.04 2.02 2.08 1y08A1 GLN 217 HG2 0.02 0.00 -0.00 -0.04 2.40 2.38 1y08A1 GLN 217 HG3 0.04 0.04 -0.06 -0.04 2.39 2.36 1y08A1 GLN 217 HE21 -0.00 0.00 0.03 -0.04 6.97 6.96 1y08A1 GLN 217 HE22 0.03 0.05 0.05 -0.04 7.69 7.78 1y08A1 SER 218 H 0.05 0.05 -0.25 -0.55 8.46 7.77 1y08A1 SER 218 HA 0.06 0.10 0.37 -0.75 4.49 4.26 1y08A1 SER 218 HB2 0.04 0.04 0.06 -0.04 3.95 4.04 1y08A1 SER 218 HB3 0.04 -0.05 0.06 -0.04 3.93 3.93 1y08A1 LYS 219 H 0.08 0.35 -0.56 -0.55 8.42 7.74 1y08A1 LYS 219 HA 0.18 0.19 0.82 -0.75 4.32 4.76 1y08A1 LYS 219 HB2 0.09 0.09 0.02 -0.04 1.87 2.03 1y08A1 LYS 219 HB3 0.17 -0.08 0.17 -0.04 1.79 2.01 1y08A1 LYS 219 HG2 0.00 -0.15 -0.15 -0.04 1.46 1.11 1y08A1 LYS 219 HG3 -0.06 0.04 0.09 -0.04 1.46 1.49 1y08A1 LYS 219 HD2 -0.32 -0.02 -0.03 -0.04 1.69 1.27 1y08A1 LYS 219 HD3 -0.03 0.05 -0.23 -0.04 1.68 1.43 1y08A1 LYS 219 HE2 -0.24 0.24 0.03 -0.04 2.99 2.98 1y08A1 LYS 219 HE3 -0.20 0.05 0.01 -0.04 2.99 2.80 1y08A1 LEU 220 H 0.11 0.36 -0.23 -0.55 8.37 8.08 1y08A1 LEU 220 HA 0.15 0.04 0.66 -0.75 4.35 4.44 1y08A1 LEU 220 HB2 0.10 -0.03 0.04 -0.04 1.64 1.71 1y08A1 LEU 220 HB3 0.06 0.12 0.19 -0.04 1.64 1.97 1y08A1 LEU 220 HG 0.01 -0.15 -0.12 -0.04 1.64 1.34 1y08A1 LEU 220 HD13 -0.07 -0.02 -0.01 -0.04 0.93 0.80 1y08A1 LEU 220 HD23 -0.04 -0.01 0.00 -0.04 0.89 0.81 1y08A1 LEU 221 H 0.03 0.12 0.13 -0.55 8.37 8.10 1y08A1 LEU 221 HA 0.09 0.25 0.76 -0.75 4.35 4.68 1y08A1 LEU 221 HB2 -0.09 -0.04 0.03 -0.04 1.64 1.50 1y08A1 LEU 221 HB3 0.09 0.00 0.13 -0.04 1.64 1.81 1y08A1 LEU 221 HG -0.07 0.13 -0.12 -0.04 1.64 1.54 1y08A1 LEU 221 HD13 -0.37 0.03 -0.13 -0.04 0.93 0.42 1y08A1 LEU 221 HD23 0.20 -0.01 -0.28 -0.04 0.89 0.76 1y08A1 THR 222 H 0.01 0.06 -0.08 -0.55 8.28 7.72 1y08A1 THR 222 HA 0.02 0.36 1.10 -0.75 4.39 5.12 1y08A1 THR 222 HB 0.01 -0.03 0.19 -0.04 4.32 4.45 1y08A1 THR 222 HG23 -0.03 -0.01 -0.05 -0.04 1.22 1.09 1y08A1 SER 223 H 0.01 0.34 0.34 -0.55 8.46 8.61 1y08A1 SER 223 HA -0.10 0.11 0.59 -0.75 4.49 4.33 1y08A1 SER 223 HB2 -0.21 0.04 0.06 -0.04 3.95 3.80 1y08A1 SER 223 HB3 -0.01 0.13 -0.28 -0.04 3.93 3.73 1y08A1 ARG 224 H -0.33 0.30 0.23 -0.55 8.46 8.12 1y08A1 ARG 224 HA -0.49 0.35 1.08 -0.75 4.34 4.53 1y08A1 ARG 224 HB2 -0.58 0.04 0.05 -0.04 1.90 1.36 1y08A1 ARG 224 HB3 -0.12 -0.10 -0.03 -0.04 1.80 1.51 1y08A1 ARG 224 HG2 -0.15 -0.07 0.02 -0.04 1.67 1.43 1y08A1 ARG 224 HG3 -0.27 0.03 -0.07 -0.04 1.67 1.33 1y08A1 ARG 224 HD2 -0.09 0.01 -0.17 -0.04 3.22 2.93 1y08A1 ARG 224 HD3 -0.20 0.04 -0.15 -0.04 3.22 2.87 1y08A1 HIS 225 H -0.56 0.59 0.38 -0.55 8.41 8.27 1y08A1 HIS 225 HA -0.26 0.14 0.86 -0.75 4.63 4.63 1y08A1 HIS 225 HB2 -0.51 -0.08 0.05 -0.04 3.26 2.69 1y08A1 HIS 225 HB3 -0.25 0.07 -0.01 -0.04 3.20 2.97 1y08A1 HIS 225 HD2 -0.24 0.01 -0.40 -0.04 6.97 6.30 1y08A1 HIS 225 HE1 -0.05 0.02 -0.08 -0.04 7.75 7.59 1y08A1 ASP 226 H -0.16 0.18 0.16 -0.55 8.40 8.03 1y08A1 ASP 226 HA -0.30 0.17 0.91 -0.75 4.63 4.66 1y08A1 ASP 226 HB2 -0.15 0.02 0.08 -0.04 2.71 2.62 1y08A1 ASP 226 HB3 -0.08 0.00 0.12 -0.04 2.70 2.70 1y08A1 PHE 227 H -0.04 0.76 0.38 -0.55 8.34 8.88 1y08A1 PHE 227 HA -0.05 0.13 0.75 -0.75 4.62 4.70 1y08A1 PHE 227 HB2 -0.06 0.03 -0.44 -0.04 3.15 2.64 1y08A1 PHE 227 HB3 -0.04 0.07 -0.17 -0.04 3.06 2.88 1y08A1 PHE 227 HD2 -0.06 0.02 -0.28 -0.04 7.28 6.93 1y08A1 PHE 227 HE2 -0.09 0.02 -0.16 -0.04 7.38 7.12 1y08A1 PHE 227 HZ -0.10 0.02 -0.12 -0.04 7.32 7.07 1y08A1 LYS 228 H 0.06 0.14 0.22 -0.55 8.42 8.28 1y08A1 LYS 228 HA 0.05 0.11 0.42 -0.75 4.32 4.14 1y08A1 LYS 228 HB2 0.01 -0.09 0.14 -0.04 1.87 1.89 1y08A1 LYS 228 HB3 0.01 0.05 0.05 -0.04 1.79 1.86 1y08A1 LYS 228 HG2 0.03 0.04 0.15 -0.04 1.46 1.64 1y08A1 LYS 228 HG3 0.00 0.02 0.25 -0.04 1.46 1.68 1y08A1 LYS 228 HD2 -0.00 0.02 0.05 -0.04 1.69 1.71 1y08A1 LYS 228 HD3 -0.01 -0.02 0.05 -0.04 1.68 1.66 1y08A1 LYS 228 HE2 0.01 -0.00 0.01 -0.04 2.99 2.97 1y08A1 LYS 228 HE3 0.01 0.01 0.03 -0.04 2.99 3.00 1y08A1 GLU 229 H 0.03 0.03 -0.19 -0.55 8.60 7.91 1y08A1 GLU 229 HA 0.01 0.25 0.92 -0.75 4.29 4.72 1y08A1 GLU 229 HB2 0.00 0.03 0.09 -0.04 2.09 2.17 1y08A1 GLU 229 HB3 0.01 -0.07 0.04 -0.04 1.99 1.93 1y08A1 GLU 229 HG2 0.01 0.01 -0.03 -0.04 2.34 2.29 1y08A1 GLU 229 HG3 0.00 -0.00 0.11 -0.04 2.34 2.41 1y08A1 LYS 230 H 0.04 1.09 -0.04 -0.55 8.42 8.97 1y08A1 LYS 230 HA 0.01 0.05 0.74 -0.75 4.32 4.36 1y08A1 LYS 230 HB2 0.02 0.08 0.11 -0.04 1.87 2.05 1y08A1 LYS 230 HB3 -0.01 -0.16 0.06 -0.04 1.79 1.64 1y08A1 LYS 230 HG2 0.09 -0.07 -0.12 -0.04 1.46 1.31 1y08A1 LYS 230 HG3 0.24 0.06 0.07 -0.04 1.46 1.79 1y08A1 LYS 230 HD2 0.06 -0.07 -0.02 -0.04 1.69 1.61 1y08A1 LYS 230 HD3 0.03 0.00 0.01 -0.04 1.68 1.68 1y08A1 LYS 230 HE2 0.08 -0.01 -0.01 -0.04 2.99 3.01 1y08A1 LYS 230 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.94 1y08A1 ASN 231 H -0.03 0.02 0.17 -0.55 8.53 8.14 1y08A1 ASN 231 HA -0.05 0.32 0.80 -0.75 4.76 5.08 1y08A1 ASN 231 HB2 -0.03 -0.08 0.20 -0.04 2.88 2.92 1y08A1 ASN 231 HB3 -0.03 0.16 0.08 -0.04 2.79 2.96 1y08A1 ASN 231 HD21 -0.02 0.04 0.03 -0.04 7.03 7.04 1y08A1 ASN 231 HD22 -0.02 0.11 0.04 -0.04 7.74 7.83 1y08A1 LEU 232 H -0.05 0.22 0.15 -0.55 8.37 8.14 1y08A1 LEU 232 HA -0.11 0.11 0.38 -0.75 4.35 3.97 1y08A1 LEU 232 HB2 -0.06 0.05 0.11 -0.04 1.64 1.70 1y08A1 LEU 232 HB3 -0.04 -0.02 0.14 -0.04 1.64 1.67 1y08A1 LEU 232 HG -0.04 -0.05 -0.19 -0.04 1.64 1.32 1y08A1 LEU 232 HD13 -0.08 0.03 -0.02 -0.04 0.93 0.82 1y08A1 LEU 232 HD23 -0.03 0.03 -0.02 -0.04 0.89 0.82 1y08A1 LYS 233 H -0.04 0.10 -0.12 -0.55 8.42 7.82 1y08A1 LYS 233 HA -0.02 0.13 0.39 -0.75 4.32 4.07 1y08A1 LYS 233 HB2 -0.02 0.03 0.06 -0.04 1.87 1.90 1y08A1 LYS 233 HB3 -0.02 -0.05 0.05 -0.04 1.79 1.73 1y08A1 LYS 233 HG2 -0.02 -0.00 -0.27 -0.04 1.46 1.13 1y08A1 LYS 233 HG3 -0.01 0.08 -0.01 -0.04 1.46 1.48 1y08A1 LYS 233 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 1y08A1 LYS 233 HD3 -0.01 -0.03 -0.04 -0.04 1.68 1.56 1y08A1 LYS 233 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.87 1y08A1 LYS 233 HE3 -0.01 0.07 -0.02 -0.04 2.99 2.98 1y08A1 GLU 234 H -0.04 0.05 -0.22 -0.55 8.60 7.83 1y08A1 GLU 234 HA -0.02 0.11 0.45 -0.75 4.29 4.07 1y08A1 GLU 234 HB2 -0.04 -0.01 0.14 -0.04 2.09 2.15 1y08A1 GLU 234 HB3 -0.00 0.08 0.01 -0.04 1.99 2.03 1y08A1 GLU 234 HG2 -0.01 0.08 0.04 -0.04 2.34 2.40 1y08A1 GLU 234 HG3 -0.02 -0.09 0.05 -0.04 2.34 2.24 1y08A1 ILE 235 H -0.15 0.54 -0.12 -0.55 8.25 7.96 1y08A1 ILE 235 HA -0.34 0.04 0.41 -0.75 4.18 3.54 1y08A1 ILE 235 HB -0.31 0.05 0.06 -0.04 1.89 1.65 1y08A1 ILE 235 HG12 -1.21 -0.04 -0.08 -0.04 1.49 0.13 1y08A1 ILE 235 HG13 -0.30 0.01 -0.10 -0.04 1.21 0.78 1y08A1 ILE 235 HG23 -0.79 -0.01 -0.19 -0.04 0.93 -0.10 1y08A1 ILE 235 HD13 -0.36 0.01 -0.15 -0.04 0.88 0.34 1y08A1 SER 236 H -0.08 0.60 -0.12 -0.55 8.46 8.31 1y08A1 SER 236 HA 0.04 -0.00 0.41 -0.75 4.49 4.19 1y08A1 SER 236 HB2 0.05 0.10 0.20 -0.04 3.95 4.27 1y08A1 SER 236 HB3 0.25 0.14 0.14 -0.04 3.93 4.42 1y08A1 ASP 237 H -0.01 0.55 -0.17 -0.55 8.40 8.23 1y08A1 ASP 237 HA -0.03 0.05 0.39 -0.75 4.63 4.29 1y08A1 ASP 237 HB2 -0.02 0.04 0.18 -0.04 2.71 2.87 1y08A1 ASP 237 HB3 -0.03 -0.05 -0.01 -0.04 2.70 2.57 1y08A1 LEU 238 H -0.01 0.50 -0.21 -0.55 8.37 8.11 1y08A1 LEU 238 HA -0.05 0.03 0.42 -0.75 4.35 4.01 1y08A1 LEU 238 HB2 0.00 0.03 0.07 -0.04 1.64 1.71 1y08A1 LEU 238 HB3 0.09 0.06 0.08 -0.04 1.64 1.84 1y08A1 LEU 238 HG -0.17 -0.02 -0.32 -0.04 1.64 1.09 1y08A1 LEU 238 HD13 -0.31 -0.01 -0.02 -0.04 0.93 0.55 1y08A1 LEU 238 HD23 -0.29 -0.01 -0.11 -0.04 0.89 0.43 1y08A1 ILE 239 H 0.04 0.53 -0.13 -0.55 8.25 8.13 1y08A1 ILE 239 HA 0.02 -0.00 0.34 -0.75 4.18 3.78 1y08A1 ILE 239 HB 0.07 0.11 0.11 -0.04 1.89 2.13 1y08A1 ILE 239 HG12 0.05 -0.03 -0.04 -0.04 1.49 1.42 1y08A1 ILE 239 HG13 0.13 -0.02 -0.00 -0.04 1.21 1.28 1y08A1 ILE 239 HG23 0.03 -0.00 -0.23 -0.04 0.93 0.69 1y08A1 ILE 239 HD13 -0.05 -0.01 -0.11 -0.04 0.88 0.66 1y08A1 LYS 240 H 0.10 0.57 -0.22 -0.55 8.42 8.31 1y08A1 LYS 240 HA 0.08 0.01 0.31 -0.75 4.32 3.95 1y08A1 LYS 240 HB2 -0.52 0.02 0.03 -0.04 1.87 1.36 1y08A1 LYS 240 HB3 -0.16 0.10 0.10 -0.04 1.79 1.79 1y08A1 LYS 240 HG2 -0.17 -0.01 -0.33 -0.04 1.46 0.90 1y08A1 LYS 240 HG3 -0.37 -0.03 -0.05 -0.04 1.46 0.96 1y08A1 LYS 240 HD2 -0.29 0.01 -0.06 -0.04 1.69 1.31 1y08A1 LYS 240 HD3 -0.28 -0.02 -0.08 -0.04 1.68 1.25 1y08A1 LYS 240 HE2 -1.10 -0.01 -0.12 -0.04 2.99 1.72 1y08A1 LYS 240 HE3 -1.48 0.05 -0.09 -0.04 2.99 1.42 1y08A1 LYS 241 H -0.03 0.53 -0.22 -0.55 8.42 8.14 1y08A1 LYS 241 HA -0.03 0.00 0.41 -0.75 4.32 3.95 1y08A1 LYS 241 HB2 -0.04 0.03 0.11 -0.04 1.87 1.93 1y08A1 LYS 241 HB3 -0.04 0.09 0.20 -0.04 1.79 2.00 1y08A1 LYS 241 HG2 -0.02 -0.00 -0.27 -0.04 1.46 1.13 1y08A1 LYS 241 HG3 -0.01 -0.03 -0.02 -0.04 1.46 1.35 1y08A1 LYS 241 HD2 -0.02 -0.01 -0.03 -0.04 1.69 1.58 1y08A1 LYS 241 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.55 1y08A1 LYS 241 HE2 0.00 -0.00 -0.05 -0.04 2.99 2.90 1y08A1 LYS 241 HE3 0.00 -0.03 -0.04 -0.04 2.99 2.88 1y08A1 GLU 242 H -0.03 0.70 -0.08 -0.55 8.60 8.64 1y08A1 GLU 242 HA -0.00 -0.01 0.29 -0.75 4.29 3.81 1y08A1 GLU 242 HB2 -0.04 0.08 0.02 -0.04 2.09 2.11 1y08A1 GLU 242 HB3 -0.04 -0.06 -0.09 -0.04 1.99 1.76 1y08A1 GLU 242 HG2 -0.11 0.34 0.03 -0.04 2.34 2.55 1y08A1 GLU 242 HG3 -0.15 -0.09 -0.14 -0.04 2.34 1.91 1y08A1 LEU 243 H 0.01 0.60 -0.23 -0.55 8.37 8.20 1y08A1 LEU 243 HA 0.02 0.11 0.44 -0.75 4.35 4.16 1y08A1 LEU 243 HB2 0.04 0.08 0.07 -0.04 1.64 1.79 1y08A1 LEU 243 HB3 0.06 -0.03 -0.23 -0.04 1.64 1.40 1y08A1 LEU 243 HG -0.01 0.03 -0.06 -0.04 1.64 1.56 1y08A1 LEU 243 HD13 0.01 -0.01 -0.25 -0.04 0.93 0.63 1y08A1 LEU 243 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.72 1y08A1 THR 244 H 0.02 0.67 -0.07 -0.55 8.28 8.35 1y08A1 THR 244 HA 0.06 0.01 0.43 -0.75 4.39 4.13 1y08A1 THR 244 HB 0.00 0.07 0.15 -0.04 4.32 4.50 1y08A1 THR 244 HG23 0.02 -0.03 -0.02 -0.04 1.22 1.14 1y08A1 GLU 245 H 0.04 0.55 -0.27 -0.55 8.60 8.37 1y08A1 GLU 245 HA 0.07 0.06 0.57 -0.75 4.29 4.23 1y08A1 GLU 245 HB2 0.05 0.05 0.06 -0.04 2.09 2.22 1y08A1 GLU 245 HB3 0.07 -0.09 0.14 -0.04 1.99 2.07 1y08A1 GLU 245 HG2 0.04 -0.05 -0.01 -0.04 2.34 2.27 1y08A1 GLU 245 HG3 0.02 0.25 0.03 -0.04 2.34 2.60 1y08A1 GLY 246 H 0.11 0.48 -0.53 -0.55 8.43 7.94 1y08A1 GLY 246 HA2 0.22 -0.02 0.38 -0.51 4.01 4.09 1y08A1 GLY 246 HA3 0.21 0.00 0.57 -0.51 4.01 4.28 1y08A1 LYS 247 H 0.09 0.43 0.04 -0.55 8.42 8.42 1y08A1 LYS 247 HA 0.19 0.19 0.97 -0.75 4.32 4.92 1y08A1 LYS 247 HB2 0.01 0.04 -0.05 -0.04 1.87 1.83 1y08A1 LYS 247 HB3 0.00 -0.10 -0.00 -0.04 1.79 1.65 1y08A1 LYS 247 HG2 0.13 -0.07 -0.24 -0.04 1.46 1.24 1y08A1 LYS 247 HG3 0.13 0.03 -0.27 -0.04 1.46 1.32 1y08A1 LYS 247 HD2 0.04 0.04 -0.05 -0.04 1.69 1.69 1y08A1 LYS 247 HD3 0.05 -0.08 -0.14 -0.04 1.68 1.47 1y08A1 LYS 247 HE2 0.09 -0.02 -0.11 -0.04 2.99 2.91 1y08A1 LYS 247 HE3 0.09 0.08 -0.08 -0.04 2.99 3.04 1y08A1 ALA 248 H -0.40 0.51 0.39 -0.55 8.40 8.35 1y08A1 ALA 248 HA -0.67 0.14 0.78 -0.75 4.34 3.85 1y08A1 ALA 248 HB3 -1.25 -0.01 0.11 -0.04 1.41 0.22 1y08A1 LEU 249 H -0.44 0.25 0.24 -0.55 8.37 7.87 1y08A1 LEU 249 HA -0.17 0.35 1.28 -0.75 4.35 5.05 1y08A1 LEU 249 HB2 -0.22 0.21 0.17 -0.04 1.64 1.76 1y08A1 LEU 249 HB3 -0.15 -0.05 -0.02 -0.04 1.64 1.38 1y08A1 LEU 249 HG -0.09 -0.02 -0.09 -0.04 1.64 1.40 1y08A1 LEU 249 HD13 -0.12 0.00 -0.63 -0.04 0.93 0.14 1y08A1 LEU 249 HD23 -0.06 0.00 -0.06 -0.04 0.89 0.72 1y08A1 GLY 250 H -0.06 0.72 0.47 -0.55 8.43 9.01 1y08A1 GLY 250 HA2 -0.18 0.22 1.08 -0.51 4.01 4.63 1y08A1 GLY 250 HA3 -0.05 -0.07 0.36 -0.51 4.01 3.73 1y08A1 LEU 251 H -0.04 0.76 0.39 -0.55 8.37 8.93 1y08A1 LEU 251 HA 0.04 0.28 1.20 -0.75 4.35 5.12 1y08A1 LEU 251 HB2 0.01 0.00 -0.12 -0.04 1.64 1.49 1y08A1 LEU 251 HB3 0.04 -0.05 0.02 -0.04 1.64 1.61 1y08A1 LEU 251 HG 0.17 0.06 -0.24 -0.04 1.64 1.59 1y08A1 LEU 251 HD13 0.21 0.06 0.03 -0.04 0.93 1.19 1y08A1 LEU 251 HD23 0.08 -0.01 -0.14 -0.04 0.89 0.77 1y08A1 SER 252 H 0.05 0.53 0.36 -0.55 8.46 8.85 1y08A1 SER 252 HA -0.03 0.34 1.16 -0.75 4.49 5.21 1y08A1 SER 252 HB2 0.03 0.08 0.04 -0.04 3.95 4.07 1y08A1 SER 252 HB3 0.15 -0.05 -0.04 -0.04 3.93 3.95 1y08A1 HIS 253 H -0.23 0.61 0.42 -0.55 8.41 8.67 1y08A1 HIS 253 HA 0.07 0.10 0.85 -0.75 4.63 4.90 1y08A1 HIS 253 HB2 0.08 0.10 -0.08 -0.04 3.26 3.32 1y08A1 HIS 253 HB3 0.09 -0.05 -0.20 -0.04 3.20 2.99 1y08A1 HIS 253 HD2 0.10 -0.01 -0.24 -0.04 6.97 6.77 1y08A1 HIS 253 HE1 0.10 -0.06 -0.14 -0.04 7.75 7.60 1y08A1 THR 254 H 0.21 0.46 0.17 -0.55 8.28 8.57 1y08A1 THR 254 HA 0.13 0.32 0.39 -0.75 4.39 4.47 1y08A1 THR 254 HB 0.11 0.04 0.08 -0.04 4.32 4.51 1y08A1 THR 254 HG23 0.08 0.06 0.08 -0.04 1.22 1.40 1y08A1 TYR 255 H 0.19 0.26 -0.13 -0.55 8.29 8.06 1y08A1 TYR 255 HA 0.09 0.19 0.48 -0.75 4.56 4.56 1y08A1 TYR 255 HB2 0.05 0.03 -0.63 -0.04 3.06 2.47 1y08A1 TYR 255 HB3 0.04 0.01 -0.05 -0.04 2.98 2.93 1y08A1 TYR 255 HD2 0.08 0.11 -0.01 -0.04 7.15 7.29 1y08A1 TYR 255 HE2 -0.07 -0.01 -0.03 -0.04 6.85 6.70 1y08A1 ARG 259 HA 0.03 0.01 0.21 -0.75 4.34 3.83 1y08A1 ARG 259 HB2 0.06 -0.06 -0.02 -0.04 1.90 1.83 1y08A1 ARG 259 HB3 0.03 0.03 0.04 -0.04 1.80 1.85 1y08A1 ARG 259 HG2 0.06 -0.09 0.05 -0.04 1.67 1.65 1y08A1 ARG 259 HG3 0.03 0.10 -0.05 -0.04 1.67 1.71 1y08A1 ARG 259 HD2 0.01 0.01 0.07 -0.04 3.22 3.27 1y08A1 ARG 259 HD3 0.02 -0.08 0.09 -0.04 3.22 3.20 1y08A1 ILE 260 H 0.08 0.21 -14.15 -0.55 8.25 -6.16 1y08A1 ILE 260 HA 0.11 0.25 0.47 -0.75 4.18 4.26 1y08A1 ILE 260 HB 0.05 0.14 0.03 -0.04 1.89 2.06 1y08A1 ILE 260 HG12 0.04 0.05 0.21 -0.04 1.49 1.74 1y08A1 ILE 260 HG13 0.04 -0.01 0.05 -0.04 1.21 1.24 1y08A1 ILE 260 HG23 0.06 -0.01 0.18 -0.04 0.93 1.12 1y08A1 ILE 260 HD13 0.02 -0.01 0.01 -0.04 0.88 0.86 1y08A1 ASN 261 H 0.13 0.20 -0.36 -0.55 8.53 7.95 1y08A1 ASN 261 HA 0.06 0.26 0.63 -0.75 4.76 4.96 1y08A1 ASN 261 HB2 0.09 0.21 -0.33 -0.04 2.88 2.81 1y08A1 ASN 261 HB3 0.07 -0.01 -0.17 -0.04 2.79 2.64 1y08A1 ASN 261 HD21 0.10 -0.15 -0.07 -0.04 7.03 6.86 1y08A1 ASN 261 HD22 0.08 0.13 -0.01 -0.04 7.74 7.90 1y08A1 HIS 262 H -0.14 0.48 0.27 -0.55 8.41 8.47 1y08A1 HIS 262 HA -0.26 0.05 0.65 -0.75 4.63 4.31 1y08A1 HIS 262 HB2 -0.98 0.04 -0.28 -0.04 3.26 2.00 1y08A1 HIS 262 HB3 -1.12 0.05 -0.13 -0.04 3.20 1.96 1y08A1 HIS 262 HD2 -0.17 0.02 -0.21 -0.04 6.97 6.56 1y08A1 HIS 262 HE1 -0.03 -0.05 0.03 -0.04 7.75 7.65 1y08A1 VAL 263 H -0.68 0.10 0.12 -0.55 8.24 7.23 1y08A1 VAL 263 HA -0.20 0.38 1.19 -0.75 4.13 4.75 1y08A1 VAL 263 HB -0.25 -0.07 -0.25 -0.04 2.12 1.50 1y08A1 VAL 263 HG13 -0.18 0.01 -0.16 -0.04 0.97 0.60 1y08A1 VAL 263 HG23 -0.03 -0.01 -0.21 -0.04 0.95 0.67 1y08A1 ILE 264 H -0.08 0.72 0.41 -0.55 8.25 8.75 1y08A1 ILE 264 HA -0.12 0.09 1.00 -0.75 4.18 4.40 1y08A1 ILE 264 HB 0.01 0.20 0.17 -0.04 1.89 2.23 1y08A1 ILE 264 HG12 0.17 0.12 0.02 -0.04 1.49 1.75 1y08A1 ILE 264 HG13 0.00 -0.03 -0.26 -0.04 1.21 0.88 1y08A1 ILE 264 HG23 0.17 -0.05 -0.21 -0.04 0.93 0.79 1y08A1 ILE 264 HD13 0.16 -0.01 -0.17 -0.04 0.88 0.83 1y08A1 ASN 265 H -0.08 0.50 0.40 -0.55 8.53 8.81 1y08A1 ASN 265 HA -0.38 0.20 1.05 -0.75 4.76 4.88 1y08A1 ASN 265 HB2 -0.07 -0.06 0.30 -0.04 2.88 3.00 1y08A1 ASN 265 HB3 -1.37 0.08 0.06 -0.04 2.79 1.51 1y08A1 ASN 265 HD21 -0.15 0.15 0.07 -0.04 7.03 7.06 1y08A1 ASN 265 HD22 -0.64 0.11 0.00 -0.04 7.74 7.16 1y08A1 LEU 266 H -0.48 0.67 0.23 -0.55 8.37 8.24 1y08A1 LEU 266 HA -0.24 0.17 0.91 -0.75 4.35 4.43 1y08A1 LEU 266 HB2 -0.16 -0.07 -0.12 -0.04 1.64 1.25 1y08A1 LEU 266 HB3 -0.21 -0.01 0.09 -0.04 1.64 1.47 1y08A1 LEU 266 HG -0.14 -0.01 -0.04 -0.04 1.64 1.40 1y08A1 LEU 266 HD13 -0.07 -0.02 -0.10 -0.04 0.93 0.70 1y08A1 LEU 266 HD23 -0.17 0.01 -0.23 -0.04 0.89 0.47 1y08A1 TRP 267 H -0.05 0.51 0.36 -0.55 7.97 8.25 1y08A1 TRP 267 HA -0.02 0.11 0.79 -0.75 4.62 4.75 1y08A1 TRP 267 HB2 0.06 0.03 0.02 -0.04 3.23 3.31 1y08A1 TRP 267 HB3 0.24 0.01 0.02 -0.04 3.23 3.47 1y08A1 TRP 267 HD1 0.01 -0.01 -0.18 -0.04 7.22 7.00 1y08A1 TRP 267 HE1 0.22 0.02 0.04 -0.04 10.20 10.45 1y08A1 TRP 267 HE3 0.12 0.05 0.04 -0.04 7.59 7.76 1y08A1 TRP 267 HZ2 0.28 0.08 0.09 -0.04 7.44 7.85 1y08A1 TRP 267 HZ3 0.03 0.10 0.04 -0.04 7.13 7.27 1y08A1 TRP 267 HH2 0.36 0.13 -0.04 -0.04 7.19 7.59 1y08A1 GLY 268 H -0.22 0.32 0.31 -0.55 8.43 8.29 1y08A1 GLY 268 HA2 -0.58 0.28 0.86 -0.51 4.01 4.06 1y08A1 GLY 268 HA3 -2.09 0.00 0.37 -0.51 4.01 1.79 1y08A1 ALA 269 H -0.49 0.59 0.37 -0.55 8.40 8.32 1y08A1 ALA 269 HA -0.30 0.12 0.89 -0.75 4.34 4.29 1y08A1 ALA 269 HB3 -0.37 0.01 -0.04 -0.04 1.41 0.97 1y08A1 ASP 270 H -0.35 0.60 0.37 -0.55 8.40 8.47 1y08A1 ASP 270 HA 0.01 0.37 1.10 -0.75 4.63 5.35 1y08A1 ASP 270 HB2 -0.15 -0.17 0.13 -0.04 2.71 2.48 1y08A1 ASP 270 HB3 -0.03 0.12 0.00 -0.04 2.70 2.75 1y08A1 PHE 271 H 0.23 0.91 0.30 -0.55 8.34 9.23 1y08A1 PHE 271 HA -0.04 0.08 0.80 -0.75 4.62 4.70 1y08A1 PHE 271 HB2 -0.02 0.06 -0.10 -0.04 3.15 3.06 1y08A1 PHE 271 HB3 -0.03 -0.12 -0.29 -0.04 3.06 2.58 1y08A1 PHE 271 HD2 -0.04 0.13 -0.33 -0.04 7.28 7.00 1y08A1 PHE 271 HE2 -0.07 0.07 -0.10 -0.04 7.38 7.24 1y08A1 PHE 271 HZ -0.07 -0.03 -0.17 -0.04 7.32 7.00 1y08A1 ASP 272 H 0.09 0.55 0.15 -0.55 8.40 8.64 1y08A1 ASP 272 HA 0.04 0.27 0.71 -0.75 4.63 4.90 1y08A1 ASP 272 HB2 0.02 -0.11 0.21 -0.04 2.71 2.79 1y08A1 ASP 272 HB3 0.01 0.11 0.08 -0.04 2.70 2.86 1y08A1 SER 273 H 0.02 0.16 0.16 -0.55 8.46 8.26 1y08A1 SER 273 HA 0.02 0.17 0.33 -0.75 4.49 4.26 1y08A1 SER 273 HB2 0.01 0.04 0.09 -0.04 3.95 4.05 1y08A1 SER 273 HB3 0.01 0.05 0.14 -0.04 3.93 4.09 1y08A1 ASN 274 H 0.02 -0.02 -0.37 -0.55 8.53 7.62 1y08A1 ASN 274 HA 0.01 0.24 0.73 -0.75 4.76 4.99 1y08A1 ASN 274 HB2 0.01 -0.08 -0.00 -0.04 2.88 2.77 1y08A1 ASN 274 HB3 0.00 0.03 0.11 -0.04 2.79 2.89 1y08A1 ASN 274 HD21 0.00 0.03 -0.01 -0.04 7.03 7.01 1y08A1 ASN 274 HD22 0.00 -0.02 -0.00 -0.04 7.74 7.68 1y08A1 GLY 275 H 0.05 0.63 -0.30 -0.55 8.43 8.27 1y08A1 GLY 275 HA2 0.03 0.10 0.19 -0.51 4.01 3.83 1y08A1 GLY 275 HA3 -0.00 0.14 0.58 -0.51 4.01 4.22 1y08A1 ASN 276 H 0.06 -0.05 -0.22 -0.55 8.53 7.77 1y08A1 ASN 276 HA 0.08 0.14 0.71 -0.75 4.76 4.93 1y08A1 ASN 276 HB2 0.01 -0.07 0.02 -0.04 2.88 2.80 1y08A1 ASN 276 HB3 -0.01 0.10 -0.06 -0.04 2.79 2.78 1y08A1 ASN 276 HD21 -0.00 0.02 -0.06 -0.04 7.03 6.94 1y08A1 ASN 276 HD22 -0.00 -0.01 -0.05 -0.04 7.74 7.64 1y08A1 LEU 277 H -0.02 0.09 0.13 -0.55 8.37 8.02 1y08A1 LEU 277 HA -0.41 0.22 0.52 -0.75 4.35 3.93 1y08A1 LEU 277 HB2 -0.15 -0.08 0.07 -0.04 1.64 1.44 1y08A1 LEU 277 HB3 -0.25 0.02 -0.07 -0.04 1.64 1.29 1y08A1 LEU 277 HG -0.14 -0.03 0.07 -0.04 1.64 1.50 1y08A1 LEU 277 HD13 -0.16 -0.00 -0.12 -0.04 0.93 0.60 1y08A1 LEU 277 HD23 -0.76 0.05 -0.04 -0.04 0.89 0.09 1y08A1 LYS 278 H -0.27 0.59 0.45 -0.55 8.42 8.64 1y08A1 LYS 278 HA -0.07 0.21 0.97 -0.75 4.32 4.68 1y08A1 LYS 278 HB2 -0.11 0.05 -0.05 -0.04 1.87 1.72 1y08A1 LYS 278 HB3 -0.06 -0.04 0.04 -0.04 1.79 1.68 1y08A1 LYS 278 HG2 -0.04 0.02 -0.18 -0.04 1.46 1.22 1y08A1 LYS 278 HG3 -0.02 -0.01 -0.12 -0.04 1.46 1.27 1y08A1 LYS 278 HD2 -0.03 0.19 0.00 -0.04 1.69 1.81 1y08A1 LYS 278 HD3 -0.01 -0.12 -0.03 -0.04 1.68 1.48 1y08A1 LYS 278 HE2 -0.00 -0.03 0.02 -0.04 2.99 2.94 1y08A1 LYS 278 HE3 0.00 0.02 0.10 -0.04 2.99 3.07 1y08A1 ALA 279 H -0.29 0.25 0.38 -0.55 8.40 8.20 1y08A1 ALA 279 HA -0.25 0.18 0.65 -0.75 4.34 4.16 1y08A1 ALA 279 HB3 -0.43 0.03 -0.04 -0.04 1.41 0.93 1y08A1 ILE 280 H -0.35 0.63 0.36 -0.55 8.25 8.34 1y08A1 ILE 280 HA -0.38 0.21 1.04 -0.75 4.18 4.30 1y08A1 ILE 280 HB -0.20 0.06 0.10 -0.04 1.89 1.81 1y08A1 ILE 280 HG12 -0.08 0.02 -0.06 -0.04 1.49 1.32 1y08A1 ILE 280 HG13 -0.15 -0.03 -0.17 -0.04 1.21 0.82 1y08A1 ILE 280 HG23 -0.22 -0.02 -0.17 -0.04 0.93 0.48 1y08A1 ILE 280 HD13 -0.01 -0.01 -0.15 -0.04 0.88 0.67 1y08A1 TYR 281 H -0.19 0.65 0.33 -0.55 8.29 8.52 1y08A1 TYR 281 HA -0.05 0.38 1.02 -0.75 4.56 5.16 1y08A1 TYR 281 HB2 -0.39 -0.12 0.13 -0.04 3.06 2.64 1y08A1 TYR 281 HB3 0.19 0.03 -0.02 -0.04 2.98 3.14 1y08A1 TYR 281 HD2 -0.22 -0.00 -0.33 -0.04 7.15 6.56 1y08A1 TYR 281 HE2 -0.30 0.00 -0.23 -0.04 6.85 6.28 1y08A1 VAL 282 H -0.02 0.64 0.38 -0.55 8.24 8.70 1y08A1 VAL 282 HA 0.10 0.14 1.13 -0.75 4.13 4.75 1y08A1 VAL 282 HB -0.11 0.09 0.12 -0.04 2.12 2.18 1y08A1 VAL 282 HG13 -0.19 -0.03 -0.31 -0.04 0.97 0.39 1y08A1 VAL 282 HG23 -0.56 0.01 -0.17 -0.04 0.95 0.19 1y08A1 THR 283 H 0.18 0.37 0.41 -0.55 8.28 8.69 1y08A1 THR 283 HA 0.23 0.28 0.83 -0.75 4.39 4.97 1y08A1 THR 283 HB 0.33 -0.01 0.06 -0.04 4.32 4.66 1y08A1 THR 283 HG23 0.57 0.02 -0.22 -0.04 1.22 1.54 1y08A1 ASP 284 H 0.15 0.36 0.13 -0.55 8.40 8.49 1y08A1 ASP 284 HA 0.10 0.10 0.92 -0.75 4.63 4.99 1y08A1 ASP 284 HB2 0.15 0.08 -0.18 -0.04 2.71 2.72 1y08A1 ASP 284 HB3 0.17 0.02 0.11 -0.04 2.70 2.96 1y08A1 SER 285 H 0.02 0.19 0.21 -0.55 8.46 8.33 1y08A1 SER 285 HA 0.01 0.42 0.55 -0.75 4.49 4.71 1y08A1 SER 285 HB2 -0.14 -0.08 0.05 -0.04 3.95 3.74 1y08A1 SER 285 HB3 -0.14 0.04 0.08 -0.04 3.93 3.86 1y08A1 ASP 286 H 0.24 -0.01 -0.30 -0.55 8.40 7.79 1y08A1 ASP 286 HA 0.33 0.10 0.58 -0.75 4.63 4.88 1y08A1 ASP 286 HB2 0.28 -0.04 0.01 -0.04 2.71 2.91 1y08A1 ASP 286 HB3 0.31 0.03 -0.02 -0.04 2.70 2.98 1y08A1 SER 287 H 0.18 0.18 -0.24 -0.55 8.46 8.04 1y08A1 SER 287 HA 0.14 0.02 0.46 -0.75 4.49 4.36 1y08A1 SER 287 HB2 0.13 0.14 0.10 -0.04 3.95 4.28 1y08A1 SER 287 HB3 0.10 -0.01 0.04 -0.04 3.93 4.03 1y08A1 ASN 288 H 0.08 0.06 0.16 -0.55 8.53 8.28 1y08A1 ASN 288 HA 0.10 0.15 0.43 -0.75 4.76 4.68 1y08A1 ASN 288 HB2 0.04 -0.02 0.12 -0.04 2.88 2.97 1y08A1 ASN 288 HB3 0.05 -0.11 0.06 -0.04 2.79 2.75 1y08A1 ASN 288 HD21 0.03 0.05 0.03 -0.04 7.03 7.10 1y08A1 ASN 288 HD22 0.03 -0.02 0.03 -0.04 7.74 7.74 1y08A1 ALA 289 H 0.07 0.18 0.18 -0.55 8.40 8.29 1y08A1 ALA 289 HA 0.05 0.16 0.35 -0.75 4.34 4.14 1y08A1 ALA 289 HB3 0.04 0.01 0.10 -0.04 1.41 1.53 1y08A1 SER 290 H 0.06 -0.01 -0.43 -0.55 8.46 7.53 1y08A1 SER 290 HA 0.09 0.12 0.40 -0.75 4.49 4.34 1y08A1 SER 290 HB2 0.07 0.06 0.06 -0.04 3.95 4.10 1y08A1 SER 290 HB3 0.05 -0.03 0.04 -0.04 3.93 3.95 1y08A1 ILE 291 H 0.06 0.48 -0.38 -0.55 8.25 7.86 1y08A1 ILE 291 HA -0.06 0.08 0.42 -0.75 4.18 3.86 1y08A1 ILE 291 HB 0.06 0.09 0.04 -0.04 1.89 2.05 1y08A1 ILE 291 HG12 0.00 -0.06 0.02 -0.04 1.49 1.41 1y08A1 ILE 291 HG13 -0.01 -0.08 0.01 -0.04 1.21 1.09 1y08A1 ILE 291 HG23 -0.07 0.01 -0.27 -0.04 0.93 0.55 1y08A1 ILE 291 HD13 -0.24 0.00 -0.10 -0.04 0.88 0.50 1y08A1 GLY 292 H 0.16 0.14 -0.06 -0.55 8.43 8.12 1y08A1 GLY 292 HA2 0.35 -0.04 0.27 -0.51 4.01 4.09 1y08A1 GLY 292 HA3 0.34 0.22 0.49 -0.51 4.01 4.55 1y08A1 MET 293 H 0.15 0.47 0.19 -0.55 8.47 8.74 1y08A1 MET 293 HA 0.04 0.19 0.57 -0.75 4.52 4.56 1y08A1 MET 293 HB2 -1.21 -0.02 0.07 -0.04 2.15 0.94 1y08A1 MET 293 HB3 -0.50 -0.02 0.17 -0.04 2.03 1.65 1y08A1 MET 293 HG2 0.33 -0.02 -0.14 -0.04 2.63 2.75 1y08A1 MET 293 HG3 0.22 0.09 -0.15 -0.04 2.56 2.68 1y08A1 MET 293 HE3 0.20 0.07 -0.29 -0.04 2.10 2.05 1y08A1 LYS 294 H 0.09 0.71 0.45 -0.55 8.42 9.11 1y08A1 LYS 294 HA 0.27 0.26 1.10 -0.75 4.32 5.20 1y08A1 LYS 294 HB2 -0.16 -0.09 0.02 -0.04 1.87 1.60 1y08A1 LYS 294 HB3 0.12 0.04 -0.06 -0.04 1.79 1.85 1y08A1 LYS 294 HG2 0.16 0.04 -0.25 -0.04 1.46 1.37 1y08A1 LYS 294 HG3 0.11 0.17 -0.16 -0.04 1.46 1.53 1y08A1 LYS 294 HD2 0.23 -0.00 -0.10 -0.04 1.69 1.78 1y08A1 LYS 294 HD3 0.13 -0.06 -0.10 -0.04 1.68 1.61 1y08A1 LYS 294 HE2 0.08 -0.02 -0.10 -0.04 2.99 2.91 1y08A1 LYS 294 HE3 -0.06 0.01 -0.14 -0.04 2.99 2.77 1y08A1 LYS 295 H 0.30 0.67 0.36 -0.55 8.42 9.19 1y08A1 LYS 295 HA -0.27 0.20 0.95 -0.75 4.32 4.45 1y08A1 LYS 295 HB2 0.19 -0.03 0.01 -0.04 1.87 2.00 1y08A1 LYS 295 HB3 0.21 -0.03 0.19 -0.04 1.79 2.12 1y08A1 LYS 295 HG2 -0.46 -0.00 -0.26 -0.04 1.46 0.70 1y08A1 LYS 295 HG3 -0.77 0.02 -0.05 -0.04 1.46 0.61 1y08A1 LYS 295 HD2 0.05 -0.00 -0.10 -0.04 1.69 1.60 1y08A1 LYS 295 HD3 -0.32 -0.03 -0.08 -0.04 1.68 1.21 1y08A1 LYS 295 HE2 -0.49 -0.00 -0.12 -0.04 2.99 2.34 1y08A1 LYS 295 HE3 -0.28 -0.01 -0.13 -0.04 2.99 2.53 1y08A1 TYR 296 H -0.23 0.75 0.39 -0.55 8.29 8.65 1y08A1 TYR 296 HA -0.02 0.22 0.91 -0.75 4.56 4.92 1y08A1 TYR 296 HB2 -0.14 -0.01 0.05 -0.04 3.06 2.92 1y08A1 TYR 296 HB3 -0.08 0.03 -0.08 -0.04 2.98 2.82 1y08A1 TYR 296 HD2 -0.02 0.14 -0.27 -0.04 7.15 6.95 1y08A1 TYR 296 HE2 0.00 -0.01 -0.15 -0.04 6.85 6.65 1y08A1 PHE 297 H 0.29 0.68 0.26 -0.55 8.34 9.01 1y08A1 PHE 297 HA -0.10 0.20 0.71 -0.75 4.62 4.67 1y08A1 PHE 297 HB2 -0.08 0.10 -0.09 -0.04 3.15 3.04 1y08A1 PHE 297 HB3 -0.08 -0.00 0.01 -0.04 3.06 2.94 1y08A1 PHE 297 HD2 -0.05 0.12 -0.20 -0.04 7.28 7.10 1y08A1 PHE 297 HE2 -0.05 0.09 -0.03 -0.04 7.38 7.36 1y08A1 PHE 297 HZ -0.08 -0.00 -0.03 -0.04 7.32 7.17 1y08A1 VAL 298 H 0.02 0.54 0.13 -0.55 8.24 8.38 1y08A1 VAL 298 HA -0.03 0.33 0.95 -0.75 4.13 4.62 1y08A1 VAL 298 HB -0.11 -0.02 -0.40 -0.04 2.12 1.54 1y08A1 VAL 298 HG13 -0.10 -0.02 -0.21 -0.04 0.97 0.59 1y08A1 VAL 298 HG23 -0.13 -0.00 -0.34 -0.04 0.95 0.44 1y08A1 GLY 299 H -0.04 0.62 0.29 -0.55 8.43 8.75 1y08A1 GLY 299 HA2 -0.04 0.05 0.48 -0.51 4.01 3.99 1y08A1 GLY 299 HA3 -0.03 0.07 0.32 -0.51 4.01 3.87 1y08A1 VAL 300 H -0.04 0.13 0.13 -0.55 8.24 7.91 1y08A1 VAL 300 HA -0.04 0.16 0.47 -0.75 4.13 3.97 1y08A1 VAL 300 HB -0.03 -0.00 0.10 -0.04 2.12 2.15 1y08A1 VAL 300 HG13 -0.03 0.05 -0.24 -0.04 0.97 0.71 1y08A1 VAL 300 HG23 -0.04 -0.02 -0.02 -0.04 0.95 0.83 1y08A1 ASN 301 H -0.03 0.57 0.27 -0.55 8.53 8.79 1y08A1 ASN 301 HA -0.04 0.22 0.65 -0.75 4.76 4.85 1y08A1 ASN 301 HB2 -0.03 -0.13 0.20 -0.04 2.88 2.88 1y08A1 ASN 301 HB3 -0.04 0.24 0.08 -0.04 2.79 3.04 1y08A1 ASN 301 HD21 -0.01 -0.07 -0.08 -0.04 7.03 6.84 1y08A1 ASN 301 HD22 -0.02 0.49 -0.02 -0.04 7.74 8.15 1y08A1 SER 302 H -0.03 0.22 0.08 -0.55 8.46 8.19 1y08A1 SER 302 HA -0.02 0.11 0.34 -0.75 4.49 4.16 1y08A1 SER 302 HB2 -0.02 0.03 0.10 -0.04 3.95 4.02 1y08A1 SER 302 HB3 -0.03 -0.01 0.09 -0.04 3.93 3.94 1y08A1 ALA 303 H -0.02 0.02 -0.47 -0.55 8.40 7.38 1y08A1 ALA 303 HA -0.01 0.20 0.70 -0.75 4.34 4.47 1y08A1 ALA 303 HB3 -0.01 0.00 0.04 -0.04 1.41 1.40 1y08A1 GLY 304 H -0.02 0.55 -0.32 -0.55 8.43 8.10 1y08A1 GLY 304 HA2 -0.02 0.03 0.24 -0.51 4.01 3.75 1y08A1 GLY 304 HA3 -0.01 0.09 0.44 -0.51 4.01 4.02 1y08A1 LYS 305 H -0.02 -0.03 -0.17 -0.55 8.42 7.65 1y08A1 LYS 305 HA -0.02 0.28 0.95 -0.75 4.32 4.78 1y08A1 LYS 305 HB2 -0.01 -0.08 -0.08 -0.04 1.87 1.65 1y08A1 LYS 305 HB3 -0.00 0.09 -0.00 -0.04 1.79 1.84 1y08A1 LYS 305 HG2 -0.01 -0.03 -0.35 -0.04 1.46 1.04 1y08A1 LYS 305 HG3 0.00 -0.02 -0.07 -0.04 1.46 1.33 1y08A1 LYS 305 HD2 0.00 0.04 0.01 -0.04 1.69 1.70 1y08A1 LYS 305 HD3 -0.01 0.13 -0.24 -0.04 1.68 1.51 1y08A1 LYS 305 HE2 -0.00 0.09 -0.04 -0.04 2.99 3.00 1y08A1 LYS 305 HE3 0.00 -0.06 -0.02 -0.04 2.99 2.87 1y08A1 VAL 306 H -0.04 0.26 0.15 -0.55 8.24 8.06 1y08A1 VAL 306 HA -0.06 0.02 0.38 -0.75 4.13 3.72 1y08A1 VAL 306 HB -0.11 0.05 0.12 -0.04 2.12 2.13 1y08A1 VAL 306 HG13 -0.13 -0.00 -0.18 -0.04 0.97 0.62 1y08A1 VAL 306 HG23 -0.10 0.01 -0.10 -0.04 0.95 0.71 1y08A1 ALA 307 H -0.05 0.64 0.37 -0.55 8.40 8.82 1y08A1 ALA 307 HA -0.03 0.21 0.92 -0.75 4.34 4.69 1y08A1 ALA 307 HB3 -0.04 -0.05 -0.20 -0.04 1.41 1.09 1y08A1 ILE 308 H -0.08 0.50 0.33 -0.55 8.25 8.45 1y08A1 ILE 308 HA -0.06 0.48 1.07 -0.75 4.18 4.92 1y08A1 ILE 308 HB 0.01 -0.01 -0.03 -0.04 1.89 1.81 1y08A1 ILE 308 HG12 -0.11 0.15 0.08 -0.04 1.49 1.56 1y08A1 ILE 308 HG13 -0.31 -0.07 -0.12 -0.04 1.21 0.67 1y08A1 ILE 308 HG23 -0.01 -0.01 -0.23 -0.04 0.93 0.63 1y08A1 ILE 308 HD13 -0.02 -0.01 -0.15 -0.04 0.88 0.66 1y08A1 SER 309 H -0.13 0.55 0.28 -0.55 8.46 8.61 1y08A1 SER 309 HA -0.45 0.04 0.60 -0.75 4.49 3.93 1y08A1 SER 309 HB2 -0.14 -0.03 -0.10 -0.04 3.95 3.65 1y08A1 SER 309 HB3 -0.09 0.20 -0.16 -0.04 3.93 3.84 1y08A1 ALA 310 H -0.21 0.14 0.18 -0.55 8.40 7.96 1y08A1 ALA 310 HA 0.23 0.19 0.62 -0.75 4.34 4.63 1y08A1 ALA 310 HB3 0.13 0.00 0.17 -0.04 1.41 1.66 1y08A1 LYS 311 H -0.01 0.01 -0.32 -0.55 8.42 7.55 1y08A1 LYS 311 HA 0.01 0.20 0.83 -0.75 4.32 4.60 1y08A1 LYS 311 HB2 -0.09 -0.02 -0.05 -0.04 1.87 1.66 1y08A1 LYS 311 HB3 -0.15 -0.02 0.05 -0.04 1.79 1.63 1y08A1 LYS 311 HG2 0.00 0.03 -0.03 -0.04 1.46 1.42 1y08A1 LYS 311 HG3 0.05 0.07 -0.36 -0.04 1.46 1.17 1y08A1 LYS 311 HD2 -0.03 0.00 -0.03 -0.04 1.69 1.59 1y08A1 LYS 311 HD3 0.00 0.05 -0.01 -0.04 1.68 1.68 1y08A1 LYS 311 HE2 -0.01 -0.05 -0.01 -0.04 2.99 2.88 1y08A1 LYS 311 HE3 -0.05 -0.02 -0.02 -0.04 2.99 2.85 1y08A1 GLU 312 H -0.80 0.10 0.06 -0.55 8.60 7.41 1y08A1 GLU 312 HA -1.03 0.02 0.28 -0.75 4.29 2.81 1y08A1 GLU 312 HB2 -0.74 -0.00 0.10 -0.04 2.09 1.40 1y08A1 GLU 312 HB3 -0.35 -0.03 -0.05 -0.04 1.99 1.52 1y08A1 GLU 312 HG2 -0.23 0.15 -0.09 -0.04 2.34 2.13 1y08A1 GLU 312 HG3 -0.34 0.00 0.04 -0.04 2.34 2.00 1y08A1 ILE 313 H -0.17 0.09 0.04 -0.55 8.25 7.66 1y08A1 ILE 313 HA -0.11 0.23 0.53 -0.75 4.18 4.08 1y08A1 ILE 313 HB -0.06 -0.06 -0.03 -0.04 1.89 1.70 1y08A1 ILE 313 HG12 -0.03 -0.06 -0.26 -0.04 1.49 1.10 1y08A1 ILE 313 HG13 -0.04 0.03 -0.24 -0.04 1.21 0.93 1y08A1 ILE 313 HG23 -0.05 0.01 -0.38 -0.04 0.93 0.47 1y08A1 ILE 313 HD13 -0.07 0.02 -0.45 -0.04 0.88 0.33 1y08A1 LYS 314 H -0.08 0.64 0.25 -0.55 8.42 8.67 1y08A1 LYS 314 HA -0.06 0.15 0.44 -0.75 4.32 4.09 1y08A1 LYS 314 HB2 -0.06 -0.16 0.12 -0.04 1.87 1.73 1y08A1 LYS 314 HB3 -0.09 0.16 -0.15 -0.04 1.79 1.68 1y08A1 LYS 314 HG2 -0.11 0.24 -0.27 -0.04 1.46 1.28 1y08A1 LYS 314 HG3 -0.07 -0.23 -0.22 -0.04 1.46 0.89 1y08A1 LYS 314 HD2 -0.08 0.03 -0.12 -0.04 1.69 1.48 1y08A1 LYS 314 HD3 -0.07 -0.05 -0.07 -0.04 1.68 1.45 1y08A1 LYS 314 HE2 -0.09 0.03 -0.13 -0.04 2.99 2.76 1y08A1 LYS 314 HE3 -0.14 0.02 -0.19 -0.04 2.99 2.63 1y08A1 GLU 315 H -0.04 0.19 0.10 -0.55 8.60 8.30 1y08A1 GLU 315 HA -0.03 0.04 0.35 -0.75 4.29 3.89 1y08A1 GLU 315 HB2 -0.03 0.03 0.15 -0.04 2.09 2.19 1y08A1 GLU 315 HB3 -0.03 -0.02 0.10 -0.04 1.99 1.99 1y08A1 GLU 315 HG2 -0.02 0.02 -0.00 -0.04 2.34 2.29 1y08A1 GLU 315 HG3 -0.03 0.03 -0.12 -0.04 2.34 2.18 1y08A1 ASP 316 H -0.04 0.07 -0.22 -0.55 8.40 7.65 1y08A1 ASP 316 HA -0.03 0.15 0.54 -0.75 4.63 4.53 1y08A1 ASP 316 HB2 -0.03 0.03 0.12 -0.04 2.71 2.79 1y08A1 ASP 316 HB3 -0.03 -0.02 0.04 -0.04 2.70 2.65 1y08A1 ASN 317 H -0.05 0.51 -0.64 -0.55 8.53 7.81 1y08A1 ASN 317 HA -0.05 0.09 0.69 -0.75 4.76 4.73 1y08A1 ASN 317 HB2 -0.07 0.03 -0.18 -0.04 2.88 2.62 1y08A1 ASN 317 HB3 -0.09 0.03 0.13 -0.04 2.79 2.81 1y08A1 ASN 317 HD21 -0.07 -0.07 -0.01 -0.04 7.03 6.85 1y08A1 ASN 317 HD22 -0.06 0.08 0.09 -0.04 7.74 7.81 1y08A1 ILE 318 H -0.04 0.18 0.04 -0.55 8.25 7.87 1y08A1 ILE 318 HA -0.05 0.11 0.61 -0.75 4.18 4.10 1y08A1 ILE 318 HB -0.03 -0.09 0.11 -0.04 1.89 1.84 1y08A1 ILE 318 HG12 -0.03 -0.04 0.06 -0.04 1.49 1.45 1y08A1 ILE 318 HG13 -0.02 0.25 -0.16 -0.04 1.21 1.23 1y08A1 ILE 318 HG23 -0.03 -0.01 0.02 -0.04 0.93 0.88 1y08A1 ILE 318 HD13 -0.02 -0.01 -0.01 -0.04 0.88 0.80 1y08A1 GLY 319 H -0.05 -0.03 -0.22 -0.55 8.43 7.57 1y08A1 GLY 319 HA2 -0.08 -0.02 0.26 -0.51 4.01 3.66 1y08A1 GLY 319 HA3 -0.08 0.10 0.15 -0.51 4.01 3.68 1y08A1 ALA 320 H -0.10 0.64 0.32 -0.55 8.40 8.72 1y08A1 ALA 320 HA 0.03 0.15 1.01 -0.75 4.34 4.78 1y08A1 ALA 320 HB3 0.03 0.02 0.06 -0.04 1.41 1.48 1y08A1 GLN 321 H 0.05 0.13 0.15 -0.55 8.47 8.26 1y08A1 GLN 321 HA 0.02 0.22 0.45 -0.75 4.36 4.29 1y08A1 GLN 321 HB2 0.02 -0.01 0.06 -0.04 2.15 2.18 1y08A1 GLN 321 HB3 0.05 -0.08 0.15 -0.04 2.02 2.10 1y08A1 GLN 321 HG2 0.06 -0.01 -0.46 -0.04 2.40 1.94 1y08A1 GLN 321 HG3 0.03 0.09 0.04 -0.04 2.39 2.51 1y08A1 GLN 321 HE21 0.02 0.00 0.06 -0.04 6.97 7.01 1y08A1 GLN 321 HE22 0.03 0.11 0.07 -0.04 7.69 7.86 1y08A1 VAL 322 H 0.03 0.53 0.36 -0.55 8.24 8.61 1y08A1 VAL 322 HA 0.17 0.10 0.78 -0.75 4.13 4.42 1y08A1 VAL 322 HB 0.21 -0.01 0.03 -0.04 2.12 2.31 1y08A1 VAL 322 HG13 0.02 0.00 -0.08 -0.04 0.97 0.87 1y08A1 VAL 322 HG23 -0.08 0.04 -0.02 -0.04 0.95 0.86 1y08A1 LEU 323 H 0.14 0.74 0.41 -0.55 8.37 9.12 1y08A1 LEU 323 HA 0.09 0.14 0.99 -0.75 4.35 4.81 1y08A1 LEU 323 HB2 0.01 -0.03 -0.09 -0.04 1.64 1.49 1y08A1 LEU 323 HB3 -0.01 -0.03 0.01 -0.04 1.64 1.56 1y08A1 LEU 323 HG 0.09 0.05 -0.21 -0.04 1.64 1.53 1y08A1 LEU 323 HD13 0.06 0.01 -0.15 -0.04 0.93 0.81 1y08A1 LEU 323 HD23 0.05 0.02 -0.11 -0.04 0.89 0.80 1y08A1 GLY 324 H -0.02 0.34 0.37 -0.55 8.43 8.58 1y08A1 GLY 324 HA2 -0.76 0.14 0.75 -0.51 4.01 3.62 1y08A1 GLY 324 HA3 -0.51 0.04 0.42 -0.51 4.01 3.45 1y08A1 LEU 325 H -0.87 0.58 0.43 -0.55 8.37 7.97 1y08A1 LEU 325 HA -0.30 0.32 1.16 -0.75 4.35 4.77 1y08A1 LEU 325 HB2 -0.58 -0.03 -0.11 -0.04 1.64 0.88 1y08A1 LEU 325 HB3 -0.40 -0.06 0.01 -0.04 1.64 1.14 1y08A1 LEU 325 HG -0.12 0.08 -0.02 -0.04 1.64 1.54 1y08A1 LEU 325 HD13 0.03 0.03 0.01 -0.04 0.93 0.96 1y08A1 LEU 325 HD23 -0.07 -0.01 -0.17 -0.04 0.89 0.60 1y08A1 PHE 326 H -0.05 0.71 0.45 -0.55 8.34 8.89 1y08A1 PHE 326 HA -0.12 0.34 1.11 -0.75 4.62 5.20 1y08A1 PHE 326 HB2 -0.15 -0.06 0.11 -0.04 3.15 3.01 1y08A1 PHE 326 HB3 -0.13 -0.01 0.07 -0.04 3.06 2.95 1y08A1 PHE 326 HD2 -0.19 0.04 -0.15 -0.04 7.28 6.93 1y08A1 PHE 326 HE2 -0.37 0.02 -0.16 -0.04 7.38 6.83 1y08A1 PHE 326 HZ -1.16 0.08 -0.12 -0.04 7.32 6.07 1y08A1 THR 327 H 0.04 0.42 0.38 -0.55 8.28 8.57 1y08A1 THR 327 HA -0.05 0.43 1.24 -0.75 4.39 5.26 1y08A1 THR 327 HB 0.00 0.06 0.01 -0.04 4.32 4.36 1y08A1 THR 327 HG23 -0.01 -0.01 -0.27 -0.04 1.22 0.90 1y08A1 LEU 328 H -0.04 0.48 0.30 -0.55 8.37 8.56 1y08A1 LEU 328 HA 0.06 0.22 0.83 -0.75 4.35 4.71 1y08A1 LEU 328 HB2 0.00 -0.06 -0.11 -0.04 1.64 1.43 1y08A1 LEU 328 HB3 0.04 -0.06 0.09 -0.04 1.64 1.67 1y08A1 LEU 328 HG 0.59 0.08 -0.33 -0.04 1.64 1.94 1y08A1 LEU 328 HD13 -0.15 -0.01 -0.01 -0.04 0.93 0.72 1y08A1 LEU 328 HD23 0.05 -0.01 -0.16 -0.04 0.89 0.72 1y08A1 SER 329 H 0.17 0.61 0.29 -0.55 8.46 8.98 1y08A1 SER 329 HA 0.35 0.20 0.88 -0.75 4.49 5.17 1y08A1 SER 329 HB2 0.21 -0.08 0.13 -0.04 3.95 4.17 1y08A1 SER 329 HB3 0.16 0.04 0.04 -0.04 3.93 4.12 1y08A1 THR 330 H 0.35 0.21 0.19 -0.55 8.28 8.48 1y08A1 THR 330 HA 0.29 0.16 0.45 -0.75 4.39 4.53 1y08A1 THR 330 HB -0.10 0.04 0.05 -0.04 4.32 4.27 1y08A1 THR 330 HG23 -0.01 0.06 0.11 -0.04 1.22 1.34 1y08A1 GLY 331 H 0.24 0.09 -0.10 -0.55 8.43 8.12 1y08A1 GLY 331 HA2 0.24 0.06 0.24 -0.51 4.01 4.03 1y08A1 GLY 331 HA3 0.27 0.18 0.40 -0.51 4.01 4.36 1y08A1 GLN 332 H 0.19 0.02 -0.31 -0.55 8.47 7.82 1y08A1 GLN 332 HA 0.45 0.13 0.23 -0.75 4.36 4.42 1y08A1 GLN 332 HB2 0.09 0.03 0.06 -0.04 2.15 2.29 1y08A1 GLN 332 HB3 0.07 0.07 0.04 -0.04 2.02 2.15 1y08A1 GLN 332 HG2 0.13 -0.14 0.07 -0.04 2.40 2.42 1y08A1 GLN 332 HG3 0.11 0.03 -0.09 -0.04 2.39 2.40 1y08A1 GLN 332 HE21 0.06 0.04 0.02 -0.04 6.97 7.05 1y08A1 GLN 332 HE22 0.07 -0.02 -0.01 -0.04 7.69 7.69 1y08A1 ASP 333 H 0.17 0.05 -0.36 -0.55 8.40 7.71 1y08A1 ASP 333 HA 0.16 0.20 0.84 -0.75 4.63 5.07 1y08A1 ASP 333 HB2 0.10 0.01 0.02 -0.04 2.71 2.80 1y08A1 ASP 333 HB3 0.09 0.04 0.16 -0.04 2.70 2.95 1y08A1 SER 334 H 0.17 0.52 -0.31 -0.55 8.46 8.30 1y08A1 SER 334 HA -0.00 0.25 0.93 -0.75 4.49 4.91 1y08A1 SER 334 HB2 -0.16 0.09 0.01 -0.04 3.95 3.86 1y08A1 SER 334 HB3 -0.22 0.03 0.08 -0.04 3.93 3.78 1y08A1 TRP 335 H 0.36 0.12 -0.13 -0.55 7.97 7.77 1y08A1 TRP 335 HA -0.07 0.19 0.48 -0.75 4.62 4.46 1y08A1 TRP 335 HB2 0.04 -0.00 0.03 -0.04 3.23 3.26 1y08A1 TRP 335 HB3 0.09 -0.02 0.02 -0.04 3.23 3.27 1y08A1 TRP 335 HD1 0.06 0.12 0.02 -0.04 7.22 7.38 1y08A1 TRP 335 HE1 -0.11 0.03 -0.20 -0.04 10.20 9.89 1y08A1 TRP 335 HE3 0.24 0.00 -0.02 -0.04 7.59 7.77 1y08A1 TRP 335 HZ2 -0.93 0.05 -0.05 -0.04 7.44 6.47 1y08A1 TRP 335 HZ3 -0.08 -0.01 -0.05 -0.04 7.13 6.95 1y08A1 TRP 335 HH2 -0.68 -0.02 -0.06 -0.04 7.19 6.39 1y08A1 ASN 336 H 0.17 0.12 -0.19 -0.55 8.53 8.08 1y08A1 ASN 336 HA 0.14 0.02 0.44 -0.75 4.76 4.60 1y08A1 ASN 336 HB2 0.10 0.04 0.07 -0.04 2.88 3.04 1y08A1 ASN 336 HB3 0.07 0.13 0.07 -0.04 2.79 3.02 1y08A1 ASN 336 HD21 0.04 -0.00 -0.02 -0.04 7.03 7.01 1y08A1 ASN 336 HD22 0.05 0.06 -0.01 -0.04 7.74 7.80 1y08A1 GLN 337 H 0.11 0.15 0.22 -0.55 8.47 8.40 1y08A1 GLN 337 HA 0.07 0.21 0.38 -0.75 4.36 4.26 1y08A1 GLN 337 HB2 0.08 0.04 0.12 -0.04 2.15 2.34 1y08A1 GLN 337 HB3 0.13 0.08 0.13 -0.04 2.02 2.32 1y08A1 GLN 337 HG2 0.07 -0.08 0.09 -0.04 2.40 2.44 1y08A1 GLN 337 HG3 0.05 -0.00 -0.19 -0.04 2.39 2.20 1y08A1 GLN 337 HE21 -0.02 0.02 0.01 -0.04 6.97 6.94 1y08A1 GLN 337 HE22 0.03 -0.03 0.02 -0.04 7.69 7.66 1y08A1 THR 338 H 0.05 -0.02 -0.36 -0.55 8.28 7.40 1y08A1 THR 338 HA 0.03 0.17 0.61 -0.75 4.39 4.44 1y08A1 THR 338 HB 0.03 -0.01 -0.02 -0.04 4.32 4.28 1y08A1 THR 338 HG23 0.02 0.00 0.04 -0.04 1.22 1.24 1y08A1 ASN 339 H 0.04 0.33 -0.48 -0.55 8.53 7.87 1y08A1 ASN 339 HA 0.02 0.22 0.10 -0.75 4.76 4.35 1y08A1 ASN 339 HB2 0.02 0.20 0.23 -0.04 2.88 3.29 1y08A1 ASN 339 HB3 0.01 -0.06 0.07 -0.04 2.79 2.77 1y08A1 ASN 339 HD21 -0.01 0.00 -0.04 -0.04 7.03 6.94 1y08A1 ASN 339 HD22 0.00 -0.06 -0.02 -0.04 7.74 7.62