============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 4 0.900 -64.995 78.157 65.095 -99.200 -91.000 HIS 21 0.900 -59.031 63.690 88.598 -99.200 -91.000 PHE 22 1.000 -56.584 71.047 91.138 -99.200 -91.000 TYR 44 0.840 -23.577 80.096 88.206 -99.200 -91.000 HIS 55 0.900 -28.881 63.857 102.049 -99.200 -91.000 PHE 60 1.000 -34.175 64.338 105.932 -99.200 -91.000 TRP 72 1.040 -21.706 49.753 134.068 -99.200 -91.000 TRP6 72 1.020 -20.571 48.354 132.530 -99.200 -91.000 TYR 83 0.840 -32.185 53.788 127.749 -99.200 -91.000 PHE 87 1.000 -35.859 50.982 119.747 -99.200 -91.000 TYR 97 0.840 -35.471 58.335 112.519 -99.200 -91.000 PHE 104 1.000 -44.996 58.937 103.726 -99.200 -91.000 PHE 122 1.000 -3.666 50.686 133.920 -99.200 -91.000 TYR 131 0.840 -36.100 43.207 120.013 -99.200 -91.000 TYR 134 0.840 -46.572 42.612 118.850 -99.200 -91.000 TYR 137 0.840 -49.320 45.441 121.217 -99.200 -91.000 TYR 174 0.840 -43.319 46.148 112.125 -99.200 -91.000 HIS 178 0.900 -51.834 45.918 113.757 -99.200 -91.000 TYR 180 0.840 -46.423 48.314 104.867 -99.200 -91.000 TYR 181 0.840 -46.345 52.263 114.680 -99.200 -91.000 PHE 190 1.000 -39.321 48.086 114.435 -99.200 -91.000 TYR 194 0.840 -35.895 44.582 128.265 -99.200 -91.000 TYR 198 0.840 -23.466 38.056 130.721 -99.200 -91.000 HIS 202 0.900 -14.734 44.924 140.446 -99.200 -91.000 TYR 213 0.840 -25.275 53.018 128.988 -99.200 -91.000 TRP 216 1.040 -24.698 56.117 118.408 -99.200 -91.000 TRP6 216 1.020 -24.854 58.199 117.286 -99.200 -91.000 HIS 218 0.900 -28.698 52.330 111.250 -99.200 -91.000 TYR 226 0.840 -53.244 54.880 100.317 -99.200 -91.000 PHE 233 1.000 -51.396 56.776 119.666 -99.200 -91.000 TYR 239 0.840 -46.463 56.057 120.890 -99.200 -91.000 TYR 246 0.840 -42.291 66.950 124.743 -99.200 -91.000 HIS 253 0.900 -56.363 78.373 116.505 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1b35B1 GLU 16 HA 0.01 -0.10 0.16 -0.75 4.29 3.61 1b35B1 GLU 16 HB2 0.01 -0.02 0.05 -0.04 2.09 2.08 1b35B1 GLU 16 HB3 0.01 0.02 -0.01 -0.04 1.99 1.97 1b35B1 GLU 16 HG2 0.01 0.08 -0.16 -0.04 2.34 2.23 1b35B1 GLU 16 HG3 0.01 -0.11 0.07 -0.04 2.34 2.27 1b35B1 ASN 17 H 0.03 0.03 0.05 -0.55 8.53 8.09 1b35B1 ASN 17 HA 0.06 -0.09 0.38 -0.75 4.76 4.36 1b35B1 ASN 17 HB2 0.02 0.01 -0.07 -0.04 2.88 2.80 1b35B1 ASN 17 HB3 0.02 0.01 0.05 -0.04 2.79 2.83 1b35B1 ASN 17 HD21 0.02 -0.01 0.01 -0.04 7.03 7.02 1b35B1 ASN 17 HD22 0.02 0.01 -0.01 -0.04 7.74 7.72 1b35B1 SER 18 H 0.14 0.03 -0.07 -0.55 8.46 8.02 1b35B1 SER 18 HA 0.03 -0.07 0.36 -0.75 4.49 4.06 1b35B1 SER 18 HB2 0.03 0.57 0.34 -0.04 3.95 4.85 1b35B1 SER 18 HB3 0.04 -0.03 0.02 -0.04 3.93 3.92 1b35B1 HIS 19 H -0.07 0.31 0.17 -0.55 8.41 8.27 1b35B1 HIS 19 HA 0.00 0.08 0.41 -0.75 4.63 4.37 1b35B1 HIS 19 HB2 0.00 0.01 0.10 -0.04 3.26 3.33 1b35B1 HIS 19 HB3 0.00 0.19 -0.11 -0.04 3.20 3.24 1b35B1 HIS 19 HD2 0.00 0.12 -0.34 -0.04 6.97 6.71 1b35B1 HIS 19 HE1 -0.00 0.01 -0.06 -0.04 7.75 7.65 1b35B1 ILE 20 H 0.06 0.18 0.13 -0.55 8.25 8.06 1b35B1 ILE 20 HA -0.11 0.13 0.74 -0.75 4.18 4.18 1b35B1 ILE 20 HB 0.01 -0.00 0.12 -0.04 1.89 1.99 1b35B1 ILE 20 HG12 -0.03 0.05 -0.04 -0.04 1.49 1.43 1b35B1 ILE 20 HG13 -0.00 -0.06 -0.03 -0.04 1.21 1.07 1b35B1 ILE 20 HG23 -0.01 -0.00 -0.20 -0.04 0.93 0.67 1b35B1 ILE 20 HD13 0.00 0.02 -0.01 -0.04 0.88 0.84 1b35B1 GLU 21 H -0.12 0.23 0.15 -0.55 8.60 8.31 1b35B1 GLU 21 HA 0.06 0.09 0.73 -0.75 4.29 4.42 1b35B1 GLU 21 HB2 -0.11 0.07 0.07 -0.04 2.09 2.08 1b35B1 GLU 21 HB3 -0.05 0.03 0.23 -0.04 1.99 2.16 1b35B1 GLU 21 HG2 0.01 0.04 0.01 -0.04 2.34 2.37 1b35B1 GLU 21 HG3 0.03 -0.15 -0.09 -0.04 2.34 2.08 1b35B1 ASN 22 H 0.03 0.26 0.09 -0.55 8.53 8.37 1b35B1 ASN 22 HA 0.01 0.21 0.84 -0.75 4.76 5.06 1b35B1 ASN 22 HB2 0.01 0.00 0.14 -0.04 2.88 2.99 1b35B1 ASN 22 HB3 0.00 0.07 -0.11 -0.04 2.79 2.71 1b35B1 ASN 22 HD21 0.02 0.04 -0.05 -0.04 7.03 6.99 1b35B1 ASN 22 HD22 0.01 0.01 -0.09 -0.04 7.74 7.63 1b35B1 GLU 23 H 0.02 0.16 -0.01 -0.55 8.60 8.22 1b35B1 GLU 23 HA 0.02 0.13 0.37 -0.75 4.29 4.06 1b35B1 GLU 23 HB2 0.02 0.01 0.04 -0.04 2.09 2.12 1b35B1 GLU 23 HB3 0.01 0.05 0.04 -0.04 1.99 2.05 1b35B1 GLU 23 HG2 0.04 -0.09 0.08 -0.04 2.34 2.34 1b35B1 GLU 23 HG3 0.02 0.06 0.03 -0.04 2.34 2.41 1b35B1 ASP 24 H 0.01 0.09 -0.42 -0.55 8.40 7.53 1b35B1 ASP 24 HA 0.01 0.00 0.54 -0.75 4.63 4.43 1b35B1 ASP 24 HB2 0.00 0.07 0.11 -0.04 2.71 2.85 1b35B1 ASP 24 HB3 0.01 -0.03 0.06 -0.04 2.70 2.70 1b35B1 LYS 25 H 0.01 0.48 -0.40 -0.55 8.42 7.95 1b35B1 LYS 25 HA 0.01 0.19 0.74 -0.75 4.32 4.51 1b35B1 LYS 25 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 1b35B1 LYS 25 HB3 0.01 -0.01 0.09 -0.04 1.79 1.84 1b35B1 LYS 25 HG2 0.01 -0.03 0.02 -0.04 1.46 1.42 1b35B1 LYS 25 HG3 0.01 0.03 0.05 -0.04 1.46 1.50 1b35B1 LYS 25 HD2 0.01 0.08 -0.29 -0.04 1.69 1.45 1b35B1 LYS 25 HD3 0.00 -0.06 -0.10 -0.04 1.68 1.48 1b35B1 LYS 25 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 1b35B1 LYS 25 HE3 0.00 0.02 -0.03 -0.04 2.99 2.95 1b35B1 ARG 26 H 0.01 0.25 -0.33 -0.55 8.46 7.84 1b35B1 ARG 26 HA 0.01 0.07 0.62 -0.75 4.34 4.28 1b35B1 ARG 26 HB2 0.01 -0.10 0.07 -0.04 1.90 1.85 1b35B1 ARG 26 HB3 0.01 0.10 0.07 -0.04 1.80 1.94 1b35B1 ARG 26 HG2 0.01 0.08 -0.31 -0.04 1.67 1.40 1b35B1 ARG 26 HG3 0.01 -0.02 0.01 -0.04 1.67 1.63 1b35B1 ARG 26 HD2 0.01 -0.04 -0.02 -0.04 3.22 3.13 1b35B1 ARG 26 HD3 0.00 0.01 -0.07 -0.04 3.22 3.12 1b35B1 LEU 27 H 0.02 0.13 0.23 -0.55 8.37 8.19 1b35B1 LEU 27 HA 0.02 0.49 1.03 -0.75 4.35 5.14 1b35B1 LEU 27 HB2 0.02 -0.07 0.18 -0.04 1.64 1.73 1b35B1 LEU 27 HB3 0.03 -0.01 -0.05 -0.04 1.64 1.57 1b35B1 LEU 27 HG 0.02 0.03 -0.05 -0.04 1.64 1.59 1b35B1 LEU 27 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.86 1b35B1 LEU 27 HD23 0.03 0.02 -0.15 -0.04 0.89 0.75 1b35B1 THR 28 H 0.03 0.59 0.32 -0.55 8.28 8.67 1b35B1 THR 28 HA 0.02 0.15 0.98 -0.75 4.39 4.79 1b35B1 THR 28 HB 0.01 -0.05 0.03 -0.04 4.32 4.26 1b35B1 THR 28 HG23 -0.01 0.01 -0.10 -0.04 1.22 1.07 1b35B1 SER 29 H 0.01 0.20 0.19 -0.55 8.46 8.32 1b35B1 SER 29 HA 0.04 0.44 1.13 -0.75 4.49 5.34 1b35B1 SER 29 HB2 0.03 -0.04 0.09 -0.04 3.95 3.98 1b35B1 SER 29 HB3 0.02 0.02 0.01 -0.04 3.93 3.94 1b35B1 GLU 30 H -0.13 0.54 0.29 -0.55 8.60 8.76 1b35B1 GLU 30 HA -0.06 0.13 0.83 -0.75 4.29 4.44 1b35B1 GLU 30 HB2 0.07 -0.05 0.03 -0.04 2.09 2.09 1b35B1 GLU 30 HB3 0.00 0.03 -0.06 -0.04 1.99 1.92 1b35B1 GLU 30 HG2 -0.03 0.08 -0.11 -0.04 2.34 2.24 1b35B1 GLU 30 HG3 -0.02 -0.07 -0.58 -0.04 2.34 1.63 1b35B1 GLN 31 H -0.06 0.20 0.14 -0.55 8.47 8.20 1b35B1 GLN 31 HA -0.10 0.25 0.94 -0.75 4.36 4.69 1b35B1 GLN 31 HB2 -0.04 -0.05 0.16 -0.04 2.15 2.18 1b35B1 GLN 31 HB3 -0.01 0.01 0.00 -0.04 2.02 1.97 1b35B1 GLN 31 HG2 -0.05 -0.04 -0.08 -0.04 2.40 2.19 1b35B1 GLN 31 HG3 0.03 -0.01 -0.03 -0.04 2.39 2.34 1b35B1 GLN 31 HE21 0.01 -0.03 -0.28 -0.04 6.97 6.63 1b35B1 GLN 31 HE22 -0.00 -0.00 -0.15 -0.04 7.69 7.50 1b35B1 LYS 32 H 0.03 0.92 0.18 -0.55 8.42 9.00 1b35B1 LYS 32 HA 0.03 0.12 0.88 -0.75 4.32 4.59 1b35B1 LYS 32 HB2 0.19 0.02 0.17 -0.04 1.87 2.20 1b35B1 LYS 32 HB3 0.08 -0.02 0.06 -0.04 1.79 1.87 1b35B1 LYS 32 HG2 0.11 -0.07 -0.47 -0.04 1.46 1.00 1b35B1 LYS 32 HG3 0.20 0.00 -0.09 -0.04 1.46 1.52 1b35B1 LYS 32 HD2 -0.00 -0.01 -0.07 -0.04 1.69 1.57 1b35B1 LYS 32 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.63 1b35B1 LYS 32 HE2 0.02 -0.01 0.15 -0.04 2.99 3.11 1b35B1 LYS 32 HE3 0.01 0.07 -0.04 -0.04 2.99 2.99 1b35B1 GLU 33 H 0.00 0.19 -0.00 -0.55 8.60 8.24 1b35B1 GLU 33 HA -0.02 0.05 0.32 -0.75 4.29 3.89 1b35B1 GLU 33 HB2 -0.02 0.17 0.00 -0.04 2.09 2.21 1b35B1 GLU 33 HB3 -0.04 -0.01 0.22 -0.04 1.99 2.12 1b35B1 GLU 33 HG2 -0.00 -0.04 -0.10 -0.04 2.34 2.16 1b35B1 GLU 33 HG3 -0.01 0.04 -0.01 -0.04 2.34 2.32 1b35B1 ILE 34 H -0.05 0.14 0.21 -0.55 8.25 8.00 1b35B1 ILE 34 HA -0.06 0.16 0.64 -0.75 4.18 4.17 1b35B1 ILE 34 HB -0.10 0.01 0.20 -0.04 1.89 1.95 1b35B1 ILE 34 HG12 -0.07 -0.04 0.10 -0.04 1.49 1.43 1b35B1 ILE 34 HG13 -0.08 0.03 -0.16 -0.04 1.21 0.96 1b35B1 ILE 34 HG23 -0.14 -0.01 0.02 -0.04 0.93 0.77 1b35B1 ILE 34 HD13 -0.11 0.00 0.01 -0.04 0.88 0.74 1b35B1 VAL 35 H -0.04 0.48 -0.49 -0.55 8.24 7.64 1b35B1 VAL 35 HA -0.13 0.18 1.00 -0.75 4.13 4.41 1b35B1 VAL 35 HB -0.08 0.04 0.12 -0.04 2.12 2.16 1b35B1 VAL 35 HG13 -0.71 -0.01 -0.18 -0.04 0.97 0.03 1b35B1 VAL 35 HG23 -0.09 -0.01 -0.11 -0.04 0.95 0.70 1b35B1 HIS 36 H -0.10 0.22 0.13 -0.55 8.41 8.11 1b35B1 HIS 36 HA -0.04 0.27 1.06 -0.75 4.63 5.16 1b35B1 HIS 36 HB2 -0.06 -0.01 -0.05 -0.04 3.26 3.11 1b35B1 HIS 36 HB3 -0.08 -0.01 0.13 -0.04 3.20 3.19 1b35B1 HIS 36 HD2 -0.00 -0.05 -0.76 -0.04 6.97 6.11 1b35B1 HIS 36 HE1 0.01 -0.03 -0.09 -0.04 7.75 7.60 1b35B1 PHE 37 H 0.02 0.64 0.35 -0.55 8.34 8.80 1b35B1 PHE 37 HA 0.07 0.17 0.91 -0.75 4.62 5.01 1b35B1 PHE 37 HB2 -0.05 -0.04 0.10 -0.04 3.15 3.12 1b35B1 PHE 37 HB3 -0.00 0.01 -0.05 -0.04 3.06 2.98 1b35B1 PHE 37 HD2 -0.02 0.04 -0.05 -0.04 7.28 7.21 1b35B1 PHE 37 HE2 -0.01 0.00 -0.06 -0.04 7.38 7.27 1b35B1 PHE 37 HZ -0.01 -0.00 -0.06 -0.04 7.32 7.21 1b35B1 VAL 38 H 0.20 0.24 0.12 -0.55 8.24 8.25 1b35B1 VAL 38 HA 0.13 0.39 0.98 -0.75 4.13 4.88 1b35B1 VAL 38 HB 0.09 -0.03 0.14 -0.04 2.12 2.28 1b35B1 VAL 38 HG13 0.08 0.00 -0.11 -0.04 0.97 0.89 1b35B1 VAL 38 HG23 0.24 -0.00 -0.23 -0.04 0.95 0.92 1b35B1 SER 39 H 0.06 0.52 0.29 -0.55 8.46 8.78 1b35B1 SER 39 HA 0.05 0.20 1.05 -0.75 4.49 5.03 1b35B1 SER 39 HB2 0.02 -0.01 0.01 -0.04 3.95 3.92 1b35B1 SER 39 HB3 0.02 0.07 -0.03 -0.04 3.93 3.94 1b35B1 GLU 40 H 0.02 0.19 0.15 -0.55 8.60 8.42 1b35B1 GLU 40 HA 0.02 0.50 0.99 -0.75 4.29 5.05 1b35B1 GLU 40 HB2 0.02 -0.03 -0.12 -0.04 2.09 1.92 1b35B1 GLU 40 HB3 0.02 -0.06 0.13 -0.04 1.99 2.03 1b35B1 GLU 40 HG2 0.01 0.09 -0.24 -0.04 2.34 2.16 1b35B1 GLU 40 HG3 0.01 0.00 -0.20 -0.04 2.34 2.12 1b35B1 GLY 41 H 0.01 0.48 0.15 -0.55 8.43 8.53 1b35B1 GLY 41 HA2 0.01 -0.06 0.41 -0.51 4.01 3.86 1b35B1 GLY 41 HA3 0.01 0.18 0.97 -0.51 4.01 4.65 1b35B1 VAL 42 H 0.00 0.03 0.12 -0.55 8.24 7.84 1b35B1 VAL 42 HA 0.00 0.04 0.43 -0.75 4.13 3.84 1b35B1 VAL 42 HB -0.00 0.01 0.07 -0.04 2.12 2.16 1b35B1 VAL 42 HG13 -0.00 0.00 -0.12 -0.04 0.97 0.81 1b35B1 VAL 42 HG23 0.01 -0.02 -0.06 -0.04 0.95 0.83 1b35B1 THR 43 H -0.01 0.09 0.04 -0.55 8.28 7.86 1b35B1 THR 43 HA -0.02 0.23 0.84 -0.75 4.39 4.69 1b35B1 THR 43 HB -0.03 0.02 -0.02 -0.04 4.32 4.24 1b35B1 THR 43 HG23 -0.02 0.06 -0.30 -0.04 1.22 0.92 1b35B1 PRO 44 HA -0.01 0.03 0.51 -0.51 4.44 4.45 1b35B1 PRO 44 HB2 -0.01 0.02 -0.00 -0.04 2.28 2.24 1b35B1 PRO 44 HB3 -0.01 0.02 0.04 -0.04 2.02 2.03 1b35B1 PRO 44 HG2 -0.01 0.04 -0.01 -0.04 2.03 2.02 1b35B1 PRO 44 HG3 -0.01 -0.01 -0.05 -0.04 2.03 1.92 1b35B1 PRO 44 HD2 -0.02 0.13 0.10 -0.04 3.68 3.86 1b35B1 PRO 44 HD3 -0.01 0.16 -0.31 -0.04 3.65 3.45 1b35B1 SER 45 H -0.02 0.22 0.24 -0.55 8.46 8.35 1b35B1 SER 45 HA -0.02 0.16 0.79 -0.75 4.49 4.67 1b35B1 SER 45 HB2 -0.03 0.00 0.07 -0.04 3.95 3.96 1b35B1 SER 45 HB3 -0.03 0.08 -0.17 -0.04 3.93 3.77 1b35B1 THR 46 H -0.02 0.27 0.18 -0.55 8.28 8.17 1b35B1 THR 46 HA -0.01 0.16 0.69 -0.75 4.39 4.47 1b35B1 THR 46 HB -0.01 0.03 -0.29 -0.04 4.32 4.01 1b35B1 THR 46 HG23 -0.01 -0.01 -0.24 -0.04 1.22 0.92 1b35B1 THR 47 H -0.01 0.29 0.13 -0.55 8.28 8.15 1b35B1 THR 47 HA -0.01 0.13 0.90 -0.75 4.39 4.66 1b35B1 THR 47 HB -0.01 0.19 0.08 -0.04 4.32 4.54 1b35B1 THR 47 HG23 -0.00 -0.11 -0.11 -0.04 1.22 0.95 1b35B1 ALA 48 H -0.01 0.15 0.09 -0.55 8.40 8.08 1b35B1 ALA 48 HA -0.00 0.06 0.31 -0.75 4.34 3.95 1b35B1 ALA 48 HB3 -0.00 0.00 0.08 -0.04 1.41 1.45 1b35B1 LEU 49 H -0.00 0.05 -0.56 -0.55 8.37 7.31 1b35B1 LEU 49 HA -0.00 0.19 0.73 -0.75 4.35 4.52 1b35B1 LEU 49 HB2 0.00 -0.02 -0.08 -0.04 1.64 1.50 1b35B1 LEU 49 HB3 0.00 0.00 0.14 -0.04 1.64 1.74 1b35B1 LEU 49 HG 0.00 -0.05 -0.33 -0.04 1.64 1.22 1b35B1 LEU 49 HD13 0.00 -0.01 0.00 -0.04 0.93 0.89 1b35B1 LEU 49 HD23 0.00 0.02 0.07 -0.04 0.89 0.94 1b35B1 PRO 50 HA -0.00 0.08 0.43 -0.51 4.44 4.44 1b35B1 PRO 50 HB2 -0.00 -0.00 0.06 -0.04 2.28 2.29 1b35B1 PRO 50 HB3 -0.00 0.02 0.09 -0.04 2.02 2.09 1b35B1 PRO 50 HG2 -0.00 0.03 0.09 -0.04 2.03 2.11 1b35B1 PRO 50 HG3 -0.00 0.05 0.08 -0.04 2.03 2.12 1b35B1 PRO 50 HD2 -0.00 0.10 0.21 -0.04 3.68 3.95 1b35B1 PRO 50 HD3 -0.00 0.14 0.22 -0.04 3.65 3.97 1b35B1 ASP 51 H -0.00 0.24 -0.12 -0.55 8.40 7.97 1b35B1 ASP 51 HA -0.00 0.14 0.44 -0.75 4.63 4.45 1b35B1 ASP 51 HB2 -0.00 -0.00 0.06 -0.04 2.71 2.73 1b35B1 ASP 51 HB3 -0.00 0.10 -0.21 -0.04 2.70 2.55 1b35B1 ILE 52 H -0.00 0.22 0.08 -0.55 8.25 8.00 1b35B1 ILE 52 HA 0.00 0.20 1.03 -0.75 4.18 4.66 1b35B1 ILE 52 HB 0.00 -0.00 0.11 -0.04 1.89 1.96 1b35B1 ILE 52 HG12 0.00 0.06 -0.12 -0.04 1.49 1.39 1b35B1 ILE 52 HG13 -0.00 -0.05 -0.28 -0.04 1.21 0.83 1b35B1 ILE 52 HG23 0.00 0.00 -0.17 -0.04 0.93 0.73 1b35B1 ILE 52 HD13 -0.00 -0.00 -0.03 -0.04 0.88 0.80 1b35B1 VAL 53 H 0.01 0.28 0.12 -0.55 8.24 8.10 1b35B1 VAL 53 HA 0.01 0.15 0.87 -0.75 4.13 4.40 1b35B1 VAL 53 HB 0.01 -0.01 0.00 -0.04 2.12 2.08 1b35B1 VAL 53 HG13 0.01 0.06 -0.04 -0.04 0.97 0.95 1b35B1 VAL 53 HG23 0.00 -0.01 -0.24 -0.04 0.95 0.66 1b35B1 ASN 54 H 0.01 0.12 0.12 -0.55 8.53 8.24 1b35B1 ASN 54 HA 0.02 0.13 0.71 -0.75 4.76 4.87 1b35B1 ASN 54 HB2 0.01 -0.01 0.05 -0.04 2.88 2.89 1b35B1 ASN 54 HB3 0.02 0.01 0.02 -0.04 2.79 2.80 1b35B1 ASN 54 HD21 0.02 -0.03 0.01 -0.04 7.03 6.99 1b35B1 ASN 54 HD22 0.02 -0.03 -0.02 -0.04 7.74 7.67 1b35B1 LEU 55 H 0.04 0.11 0.15 -0.55 8.37 8.12 1b35B1 LEU 55 HA 0.06 0.11 0.60 -0.75 4.35 4.37 1b35B1 LEU 55 HB2 0.09 0.00 0.09 -0.04 1.64 1.78 1b35B1 LEU 55 HB3 0.20 -0.02 0.07 -0.04 1.64 1.85 1b35B1 LEU 55 HG 0.07 0.02 0.01 -0.04 1.64 1.71 1b35B1 LEU 55 HD13 0.17 0.01 0.00 -0.04 0.93 1.07 1b35B1 LEU 55 HD23 0.09 0.01 0.02 -0.04 0.89 0.97 1b35B1 SER 56 H 0.07 0.12 0.16 -0.55 8.46 8.26 1b35B1 SER 56 HA 0.04 0.13 0.41 -0.75 4.49 4.32 1b35B1 SER 56 HB2 0.03 0.14 0.15 -0.04 3.95 4.22 1b35B1 SER 56 HB3 0.08 -0.01 0.14 -0.04 3.93 4.10 1b35B1 THR 57 H 0.04 0.20 0.20 -0.55 8.28 8.17 1b35B1 THR 57 HA 0.03 0.13 0.48 -0.75 4.39 4.27 1b35B1 THR 57 HB 0.02 -0.02 0.17 -0.04 4.32 4.46 1b35B1 THR 57 HG23 0.02 0.02 -0.17 -0.04 1.22 1.04 1b35B1 ASN 58 H 0.05 0.05 -0.16 -0.55 8.53 7.93 1b35B1 ASN 58 HA 0.04 0.17 0.41 -0.75 4.76 4.62 1b35B1 ASN 58 HB2 0.05 -0.05 0.02 -0.04 2.88 2.85 1b35B1 ASN 58 HB3 0.05 0.09 -0.01 -0.04 2.79 2.87 1b35B1 ASN 58 HD21 0.02 0.05 0.00 -0.04 7.03 7.06 1b35B1 ASN 58 HD22 0.02 -0.01 0.02 -0.04 7.74 7.73 1b35B1 TYR 59 H 0.16 0.09 -0.39 -0.55 8.29 7.61 1b35B1 TYR 59 HA 0.00 0.18 0.60 -0.75 4.56 4.59 1b35B1 TYR 59 HB2 0.00 -0.04 0.05 -0.04 3.06 3.04 1b35B1 TYR 59 HB3 0.00 0.06 0.08 -0.04 2.98 3.08 1b35B1 TYR 59 HD2 0.00 -0.01 0.02 -0.04 7.15 7.12 1b35B1 TYR 59 HE2 0.00 0.02 -0.01 -0.04 6.85 6.82 1b35B1 LEU 60 H 0.05 0.40 -0.09 -0.55 8.37 8.18 1b35B1 LEU 60 HA -0.19 0.05 0.38 -0.75 4.35 3.83 1b35B1 LEU 60 HB2 -0.00 0.09 0.14 -0.04 1.64 1.82 1b35B1 LEU 60 HB3 -0.03 -0.06 0.07 -0.04 1.64 1.58 1b35B1 LEU 60 HG 0.03 0.19 -0.04 -0.04 1.64 1.78 1b35B1 LEU 60 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.83 1b35B1 LEU 60 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.77 1b35B1 ASP 61 H -0.00 0.35 -0.41 -0.55 8.40 7.79 1b35B1 ASP 61 HA -0.02 0.07 0.44 -0.75 4.63 4.37 1b35B1 ASP 61 HB2 0.01 0.06 -0.01 -0.04 2.71 2.73 1b35B1 ASP 61 HB3 0.00 0.01 0.05 -0.04 2.70 2.72 1b35B1 LYS 62 H -0.07 0.46 -0.71 -0.55 8.42 7.54 1b35B1 LYS 62 HA -0.01 0.11 0.58 -0.75 4.32 4.24 1b35B1 LYS 62 HB2 -0.10 0.25 0.16 -0.04 1.87 2.14 1b35B1 LYS 62 HB3 -0.00 -0.07 0.18 -0.04 1.79 1.85 1b35B1 LYS 62 HG2 0.06 0.13 0.04 -0.04 1.46 1.65 1b35B1 LYS 62 HG3 0.13 -0.09 0.08 -0.04 1.46 1.53 1b35B1 LYS 62 HD2 0.05 -0.06 0.03 -0.04 1.69 1.67 1b35B1 LYS 62 HD3 0.02 0.05 0.06 -0.04 1.68 1.77 1b35B1 LYS 62 HE2 0.04 -0.04 -0.02 -0.04 2.99 2.93 1b35B1 LYS 62 HE3 0.02 -0.04 -0.03 -0.04 2.99 2.91 1b35B1 ASN 63 H -0.07 0.18 -0.49 -0.55 8.53 7.60 1b35B1 ASN 63 HA -0.04 0.20 0.75 -0.75 4.76 4.90 1b35B1 ASN 63 HB2 -0.06 -0.02 0.01 -0.04 2.88 2.76 1b35B1 ASN 63 HB3 -0.10 0.06 -0.08 -0.04 2.79 2.63 1b35B1 ASN 63 HD21 -0.22 -0.07 0.00 -0.04 7.03 6.71 1b35B1 ASN 63 HD22 -0.23 0.02 -0.07 -0.04 7.74 7.42 1b35B1 THR 64 H -0.05 0.10 0.23 -0.55 8.28 8.01 1b35B1 THR 64 HA -0.01 0.29 1.03 -0.75 4.39 4.95 1b35B1 THR 64 HB -0.01 -0.03 -0.03 -0.04 4.32 4.22 1b35B1 THR 64 HG23 0.00 0.00 0.07 -0.04 1.22 1.25 1b35B1 ARG 65 H -0.03 0.16 0.16 -0.55 8.46 8.20 1b35B1 ARG 65 HA 0.01 0.01 0.49 -0.75 4.34 4.10 1b35B1 ARG 65 HB2 -0.01 -0.06 -0.04 -0.04 1.90 1.75 1b35B1 ARG 65 HB3 -0.01 -0.04 -0.17 -0.04 1.80 1.54 1b35B1 ARG 65 HG2 0.01 0.19 -0.14 -0.04 1.67 1.68 1b35B1 ARG 65 HG3 0.01 -0.03 0.06 -0.04 1.67 1.67 1b35B1 ARG 65 HD2 0.00 -0.06 -0.01 -0.04 3.22 3.11 1b35B1 ARG 65 HD3 0.00 0.03 -0.02 -0.04 3.22 3.19 1b35B1 GLU 66 H 0.02 0.10 0.25 -0.55 8.60 8.43 1b35B1 GLU 66 HA 0.02 0.19 0.75 -0.75 4.29 4.49 1b35B1 GLU 66 HB2 0.05 0.11 0.06 -0.04 2.09 2.26 1b35B1 GLU 66 HB3 0.05 0.11 0.17 -0.04 1.99 2.28 1b35B1 GLU 66 HG2 0.02 -0.16 0.04 -0.04 2.34 2.20 1b35B1 GLU 66 HG3 0.03 -0.00 0.10 -0.04 2.34 2.44 1b35B1 ASP 67 H 0.01 0.16 0.12 -0.55 8.40 8.14 1b35B1 ASP 67 HA 0.00 0.15 0.62 -0.75 4.63 4.64 1b35B1 ASP 67 HB2 -0.00 -0.00 0.10 -0.04 2.71 2.77 1b35B1 ASP 67 HB3 -0.01 -0.00 0.20 -0.04 2.70 2.85 1b35B1 ARG 68 H -0.01 0.24 -0.42 -0.55 8.46 7.71 1b35B1 ARG 68 HA -0.04 0.10 0.47 -0.75 4.34 4.11 1b35B1 ARG 68 HB2 -0.12 -0.01 0.15 -0.04 1.90 1.88 1b35B1 ARG 68 HB3 -0.06 0.10 -0.16 -0.04 1.80 1.65 1b35B1 ARG 68 HG2 -0.03 -0.11 -0.17 -0.04 1.67 1.32 1b35B1 ARG 68 HG3 -0.17 0.01 -0.41 -0.04 1.67 1.06 1b35B1 ARG 68 HD2 -0.09 -0.00 -0.06 -0.04 3.22 3.03 1b35B1 ARG 68 HD3 -0.06 -0.01 -0.10 -0.04 3.22 3.01 1b35B1 ILE 69 H -0.11 0.18 0.16 -0.55 8.25 7.93 1b35B1 ILE 69 HA -0.00 0.23 0.90 -0.75 4.18 4.55 1b35B1 ILE 69 HB 0.03 0.00 0.04 -0.04 1.89 1.93 1b35B1 ILE 69 HG12 -0.03 -0.02 0.01 -0.04 1.49 1.41 1b35B1 ILE 69 HG13 -0.03 -0.04 -0.28 -0.04 1.21 0.82 1b35B1 ILE 69 HG23 0.01 0.01 -0.16 -0.04 0.93 0.74 1b35B1 ILE 69 HD13 0.01 0.01 -0.07 -0.04 0.88 0.79 1b35B1 HIS 70 H 0.16 0.26 0.10 -0.55 8.41 8.39 1b35B1 HIS 70 HA 0.08 0.12 0.92 -0.75 4.63 5.00 1b35B1 HIS 70 HB2 0.21 0.01 0.13 -0.04 3.26 3.57 1b35B1 HIS 70 HB3 0.16 0.05 -0.00 -0.04 3.20 3.37 1b35B1 HIS 70 HD2 0.03 -0.00 -0.15 -0.04 6.97 6.80 1b35B1 HIS 70 HE1 -0.05 0.01 -0.08 -0.04 7.75 7.59 1b35B1 SER 71 H 0.13 0.08 0.09 -0.55 8.46 8.22 1b35B1 SER 71 HA 0.11 0.29 0.83 -0.75 4.49 4.96 1b35B1 SER 71 HB2 0.06 -0.05 0.20 -0.04 3.95 4.11 1b35B1 SER 71 HB3 0.06 0.09 0.02 -0.04 3.93 4.05 1b35B1 ILE 72 H 0.05 0.20 0.16 -0.55 8.25 8.11 1b35B1 ILE 72 HA -0.04 0.15 0.43 -0.75 4.18 3.97 1b35B1 ILE 72 HB 0.01 -0.07 0.15 -0.04 1.89 1.94 1b35B1 ILE 72 HG12 -0.02 0.09 0.09 -0.04 1.49 1.60 1b35B1 ILE 72 HG13 0.02 -0.10 0.11 -0.04 1.21 1.20 1b35B1 ILE 72 HG23 -0.15 0.03 -0.15 -0.04 0.93 0.62 1b35B1 ILE 72 HD13 0.29 0.05 0.03 -0.04 0.88 1.21 1b35B1 LYS 73 H 0.03 0.07 -0.10 -0.55 8.42 7.86 1b35B1 LYS 73 HA -0.02 0.11 0.32 -0.75 4.32 3.97 1b35B1 LYS 73 HB2 0.03 -0.06 0.01 -0.04 1.87 1.81 1b35B1 LYS 73 HB3 0.01 0.04 -0.03 -0.04 1.79 1.78 1b35B1 LYS 73 HG2 -0.02 0.02 -0.07 -0.04 1.46 1.35 1b35B1 LYS 73 HG3 0.00 -0.07 0.04 -0.04 1.46 1.38 1b35B1 LYS 73 HD2 0.02 -0.05 0.01 -0.04 1.69 1.62 1b35B1 LYS 73 HD3 0.01 0.07 0.00 -0.04 1.68 1.73 1b35B1 LYS 73 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 1b35B1 LYS 73 HE3 0.02 -0.05 0.03 -0.04 2.99 2.95 1b35B1 ASP 74 H 0.11 -0.01 -0.39 -0.55 8.40 7.56 1b35B1 ASP 74 HA 0.05 0.10 0.42 -0.75 4.63 4.45 1b35B1 ASP 74 HB2 0.22 0.08 0.13 -0.04 2.71 3.09 1b35B1 ASP 74 HB3 0.11 0.08 0.02 -0.04 2.70 2.88 1b35B1 PHE 75 H 0.41 0.43 -0.14 -0.55 8.34 8.48 1b35B1 PHE 75 HA 0.05 0.03 0.38 -0.75 4.62 4.33 1b35B1 PHE 75 HB2 -0.01 0.11 0.16 -0.04 3.15 3.37 1b35B1 PHE 75 HB3 0.00 0.03 -0.08 -0.04 3.06 2.97 1b35B1 PHE 75 HD2 0.07 0.09 -0.06 -0.04 7.28 7.34 1b35B1 PHE 75 HE2 0.05 -0.00 -0.06 -0.04 7.38 7.33 1b35B1 PHE 75 HZ 0.00 -0.01 -0.03 -0.04 7.32 7.24 1b35B1 LEU 76 H 0.02 0.38 -0.25 -0.55 8.37 7.97 1b35B1 LEU 76 HA -0.82 0.05 0.39 -0.75 4.35 3.21 1b35B1 LEU 76 HB2 -0.10 0.07 0.08 -0.04 1.64 1.65 1b35B1 LEU 76 HB3 -0.16 -0.07 -0.01 -0.04 1.64 1.36 1b35B1 LEU 76 HG -0.23 -0.06 -0.04 -0.04 1.64 1.27 1b35B1 LEU 76 HD13 -0.44 0.02 -0.06 -0.04 0.93 0.41 1b35B1 LEU 76 HD23 -0.13 0.02 -0.14 -0.04 0.89 0.59 1b35B1 SER 77 H 0.02 0.32 -0.73 -0.55 8.46 7.52 1b35B1 SER 77 HA 0.12 0.17 0.92 -0.75 4.49 4.95 1b35B1 SER 77 HB2 0.03 0.06 0.13 -0.04 3.95 4.12 1b35B1 SER 77 HB3 0.03 -0.08 0.19 -0.04 3.93 4.03 1b35B1 ARG 78 H 0.10 0.38 -0.16 -0.55 8.46 8.22 1b35B1 ARG 78 HA 0.00 0.06 0.61 -0.75 4.34 4.26 1b35B1 ARG 78 HB2 0.17 0.05 0.13 -0.04 1.90 2.21 1b35B1 ARG 78 HB3 0.06 -0.00 0.03 -0.04 1.80 1.84 1b35B1 ARG 78 HG2 -0.05 -0.07 0.01 -0.04 1.67 1.53 1b35B1 ARG 78 HG3 -0.02 0.20 0.16 -0.04 1.67 1.96 1b35B1 ARG 78 HD2 -0.20 0.02 0.08 -0.04 3.22 3.08 1b35B1 ARG 78 HD3 -0.14 -0.03 0.01 -0.04 3.22 3.02 1b35B1 PRO 79 HA 0.31 0.23 0.44 -0.51 4.44 4.91 1b35B1 PRO 79 HB2 -0.02 -0.04 0.04 -0.04 2.28 2.22 1b35B1 PRO 79 HB3 0.08 -0.04 -0.00 -0.04 2.02 2.02 1b35B1 PRO 79 HG2 -0.25 -0.02 0.05 -0.04 2.03 1.76 1b35B1 PRO 79 HG3 -0.31 0.07 0.01 -0.04 2.03 1.75 1b35B1 PRO 79 HD2 -0.05 0.03 0.21 -0.04 3.68 3.83 1b35B1 PRO 79 HD3 -0.13 0.25 0.33 -0.04 3.65 4.05 1b35B1 ILE 80 H 0.31 0.61 0.46 -0.55 8.25 9.08 1b35B1 ILE 80 HA 0.16 0.15 0.99 -0.75 4.18 4.73 1b35B1 ILE 80 HB -0.12 -0.03 0.04 -0.04 1.89 1.74 1b35B1 ILE 80 HG12 -0.03 0.24 0.11 -0.04 1.49 1.77 1b35B1 ILE 80 HG13 -0.03 -0.12 -0.10 -0.04 1.21 0.91 1b35B1 ILE 80 HG23 -0.10 0.07 -0.14 -0.04 0.93 0.72 1b35B1 ILE 80 HD13 -0.54 -0.02 -0.05 -0.04 0.88 0.23 1b35B1 ILE 81 H -0.19 0.14 0.14 -0.55 8.25 7.80 1b35B1 ILE 81 HA -0.62 0.15 0.71 -0.75 4.18 3.66 1b35B1 ILE 81 HB -0.32 -0.00 0.13 -0.04 1.89 1.66 1b35B1 ILE 81 HG12 -1.67 0.02 -0.07 -0.04 1.49 -0.28 1b35B1 ILE 81 HG13 -0.91 -0.02 -0.03 -0.04 1.21 0.21 1b35B1 ILE 81 HG23 -0.41 0.01 -0.21 -0.04 0.93 0.28 1b35B1 ILE 81 HD13 -0.36 0.00 -0.03 -0.04 0.88 0.45 1b35B1 ILE 82 H -0.20 0.71 0.44 -0.55 8.25 8.65 1b35B1 ILE 82 HA -0.10 0.13 0.69 -0.75 4.18 4.15 1b35B1 ILE 82 HB 0.02 0.04 0.04 -0.04 1.89 1.95 1b35B1 ILE 82 HG12 -0.03 0.02 -0.16 -0.04 1.49 1.29 1b35B1 ILE 82 HG13 0.03 0.11 -0.14 -0.04 1.21 1.18 1b35B1 ILE 82 HG23 0.04 -0.02 -0.09 -0.04 0.93 0.81 1b35B1 ILE 82 HD13 0.27 -0.02 -0.20 -0.04 0.88 0.88 1b35B1 ALA 83 H -0.25 0.24 0.22 -0.55 8.40 8.07 1b35B1 ALA 83 HA -0.23 0.07 0.35 -0.75 4.34 3.78 1b35B1 ALA 83 HB3 -0.48 0.07 -0.03 -0.04 1.41 0.94 1b35B1 THR 84 H -0.26 0.31 0.16 -0.55 8.28 7.94 1b35B1 THR 84 HA -0.31 0.25 1.03 -0.75 4.39 4.61 1b35B1 THR 84 HB -0.19 -0.02 0.15 -0.04 4.32 4.22 1b35B1 THR 84 HG23 -0.16 0.01 -0.11 -0.04 1.22 0.92 1b35B1 ASN 85 H -0.77 0.53 0.29 -0.55 8.53 8.04 1b35B1 ASN 85 HA -0.26 0.17 0.90 -0.75 4.76 4.82 1b35B1 ASN 85 HB2 -0.70 0.01 -0.08 -0.04 2.88 2.06 1b35B1 ASN 85 HB3 -0.18 -0.01 0.15 -0.04 2.79 2.71 1b35B1 ASN 85 HD21 -0.68 -0.01 -0.13 -0.04 7.03 6.16 1b35B1 ASN 85 HD22 -0.34 0.02 -0.17 -0.04 7.74 7.21 1b35B1 LEU 86 H -0.10 0.15 0.18 -0.55 8.37 8.06 1b35B1 LEU 86 HA 0.01 0.27 0.89 -0.75 4.35 4.76 1b35B1 LEU 86 HB2 0.01 -0.02 0.11 -0.04 1.64 1.71 1b35B1 LEU 86 HB3 0.07 -0.02 -0.13 -0.04 1.64 1.51 1b35B1 LEU 86 HG 0.01 -0.02 -0.10 -0.04 1.64 1.49 1b35B1 LEU 86 HD13 -0.03 0.02 -0.26 -0.04 0.93 0.62 1b35B1 LEU 86 HD23 -0.02 -0.00 -0.03 -0.04 0.89 0.79 1b35B1 TRP 87 H 0.29 0.72 0.28 -0.55 7.97 8.71 1b35B1 TRP 87 HA 0.15 0.12 0.77 -0.75 4.62 4.91 1b35B1 TRP 87 HB2 0.30 0.01 -0.10 -0.04 3.23 3.40 1b35B1 TRP 87 HB3 0.14 -0.03 0.09 -0.04 3.23 3.40 1b35B1 TRP 87 HD1 0.05 0.04 -0.05 -0.04 7.22 7.22 1b35B1 TRP 87 HE1 0.01 0.03 -0.05 -0.04 10.20 10.15 1b35B1 TRP 87 HE3 0.07 0.01 -0.20 -0.04 7.59 7.44 1b35B1 TRP 87 HZ2 0.02 0.14 -0.09 -0.04 7.44 7.47 1b35B1 TRP 87 HZ3 0.03 -0.00 -0.25 -0.04 7.13 6.87 1b35B1 TRP 87 HH2 0.03 -0.12 -0.42 -0.04 7.19 6.64 1b35B1 SER 88 H 0.33 0.18 0.06 -0.55 8.46 8.49 1b35B1 SER 88 HA 0.04 0.14 0.70 -0.75 4.49 4.61 1b35B1 SER 88 HB2 0.09 0.05 0.02 -0.04 3.95 4.07 1b35B1 SER 88 HB3 0.13 0.02 0.07 -0.04 3.93 4.11 1b35B1 VAL 89 H -0.04 0.43 0.18 -0.55 8.24 8.27 1b35B1 VAL 89 HA -0.16 0.11 0.52 -0.75 4.13 3.85 1b35B1 VAL 89 HB -0.11 0.10 0.01 -0.04 2.12 2.09 1b35B1 VAL 89 HG13 -0.03 0.01 -0.18 -0.04 0.97 0.73 1b35B1 VAL 89 HG23 -0.11 -0.04 -0.02 -0.04 0.95 0.74 1b35B1 SER 90 H 0.03 -0.03 -0.34 -0.55 8.46 7.57 1b35B1 SER 90 HA 0.01 0.24 0.77 -0.75 4.49 4.76 1b35B1 SER 90 HB2 0.02 0.01 0.12 -0.04 3.95 4.06 1b35B1 SER 90 HB3 0.01 0.01 0.02 -0.04 3.93 3.93 1b35B1 ASP 91 H 0.11 0.24 -0.39 -0.55 8.40 7.81 1b35B1 ASP 91 HA 0.09 0.09 0.53 -0.75 4.63 4.59 1b35B1 ASP 91 HB2 0.35 0.14 0.14 -0.04 2.71 3.30 1b35B1 ASP 91 HB3 0.17 0.04 -0.01 -0.04 2.70 2.87 1b35B1 PRO 92 HA 0.05 0.06 0.48 -0.51 4.44 4.52 1b35B1 PRO 92 HB2 0.04 0.08 -0.03 -0.04 2.28 2.33 1b35B1 PRO 92 HB3 0.04 0.00 0.11 -0.04 2.02 2.13 1b35B1 PRO 92 HG2 0.03 0.01 0.08 -0.04 2.03 2.11 1b35B1 PRO 92 HG3 0.04 0.10 0.07 -0.04 2.03 2.20 1b35B1 PRO 92 HD2 0.05 0.03 0.18 -0.04 3.68 3.90 1b35B1 PRO 92 HD3 0.06 0.21 0.34 -0.04 3.65 4.21 1b35B1 VAL 93 H 0.06 0.08 0.15 -0.55 8.24 7.98 1b35B1 VAL 93 HA 0.09 0.05 0.36 -0.75 4.13 3.88 1b35B1 VAL 93 HB 0.06 -0.01 0.09 -0.04 2.12 2.21 1b35B1 VAL 93 HG13 0.09 0.04 -0.10 -0.04 0.97 0.96 1b35B1 VAL 93 HG23 0.07 -0.05 0.09 -0.04 0.95 1.02 1b35B1 GLU 94 H 0.05 0.66 0.24 -0.55 8.60 9.00 1b35B1 GLU 94 HA 0.00 0.02 0.27 -0.75 4.29 3.83 1b35B1 GLU 94 HB2 0.02 0.33 0.25 -0.04 2.09 2.66 1b35B1 GLU 94 HB3 -0.00 -0.02 0.11 -0.04 1.99 2.04 1b35B1 GLU 94 HG2 0.03 -0.02 -0.03 -0.04 2.34 2.28 1b35B1 GLU 94 HG3 0.05 -0.06 -0.35 -0.04 2.34 1.93 1b35B1 LYS 95 H 0.02 0.36 -0.36 -0.55 8.42 7.88 1b35B1 LYS 95 HA 0.00 0.07 0.45 -0.75 4.32 4.09 1b35B1 LYS 95 HB2 0.03 0.05 0.02 -0.04 1.87 1.93 1b35B1 LYS 95 HB3 0.02 -0.01 0.04 -0.04 1.79 1.79 1b35B1 LYS 95 HG2 0.01 -0.02 -0.51 -0.04 1.46 0.90 1b35B1 LYS 95 HG3 0.02 -0.00 -0.03 -0.04 1.46 1.41 1b35B1 LYS 95 HD2 0.05 0.02 0.02 -0.04 1.69 1.73 1b35B1 LYS 95 HD3 0.07 -0.07 -0.05 -0.04 1.68 1.59 1b35B1 LYS 95 HE2 0.06 0.05 -0.10 -0.04 2.99 2.96 1b35B1 LYS 95 HE3 0.04 0.02 -0.03 -0.04 2.99 2.98 1b35B1 GLN 96 H -0.00 0.17 0.13 -0.55 8.47 8.22 1b35B1 GLN 96 HA -0.02 0.15 0.75 -0.75 4.36 4.48 1b35B1 GLN 96 HB2 -0.01 0.07 0.07 -0.04 2.15 2.24 1b35B1 GLN 96 HB3 0.02 -0.03 0.17 -0.04 2.02 2.13 1b35B1 GLN 96 HG2 0.06 -0.04 -0.18 -0.04 2.40 2.20 1b35B1 GLN 96 HG3 0.07 0.02 -0.06 -0.04 2.39 2.38 1b35B1 GLN 96 HE21 0.11 -0.01 -0.08 -0.04 6.97 6.95 1b35B1 GLN 96 HE22 0.05 -0.04 -0.12 -0.04 7.69 7.55 1b35B1 LEU 97 H -0.06 0.39 0.25 -0.55 8.37 8.40 1b35B1 LEU 97 HA 0.06 0.05 0.42 -0.75 4.35 4.12 1b35B1 LEU 97 HB2 -0.11 0.01 -0.02 -0.04 1.64 1.48 1b35B1 LEU 97 HB3 0.14 -0.01 -0.02 -0.04 1.64 1.71 1b35B1 LEU 97 HG -0.22 0.05 -0.06 -0.04 1.64 1.37 1b35B1 LEU 97 HD13 -0.74 -0.02 -0.17 -0.04 0.93 -0.04 1b35B1 LEU 97 HD23 0.03 0.01 -0.00 -0.04 0.89 0.89 1b35B1 TYR 98 H 0.09 0.33 0.05 -0.55 8.29 8.21 1b35B1 TYR 98 HA 0.03 0.13 0.56 -0.75 4.56 4.52 1b35B1 TYR 98 HB2 0.15 0.16 -0.32 -0.04 3.06 3.01 1b35B1 TYR 98 HB3 0.08 -0.10 -0.17 -0.04 2.98 2.75 1b35B1 TYR 98 HD2 0.03 -0.00 -0.11 -0.04 7.15 7.03 1b35B1 TYR 98 HE2 -0.02 -0.02 -0.11 -0.04 6.85 6.66 1b35B1 THR 99 H -0.93 0.30 0.18 -0.55 8.28 7.28 1b35B1 THR 99 HA -0.37 0.26 0.72 -0.75 4.39 4.25 1b35B1 THR 99 HB -0.09 0.02 -0.14 -0.04 4.32 4.08 1b35B1 THR 99 HG23 -0.20 -0.02 -0.11 -0.04 1.22 0.85 1b35B1 ALA 100 H -0.33 0.38 0.28 -0.55 8.40 8.18 1b35B1 ALA 100 HA -0.34 0.14 0.76 -0.75 4.34 4.14 1b35B1 ALA 100 HB3 -0.23 0.02 -0.08 -0.04 1.41 1.09 1b35B1 ASN 101 H -0.31 0.20 0.22 -0.55 8.53 8.08 1b35B1 ASN 101 HA -0.06 0.25 1.03 -0.75 4.76 5.22 1b35B1 ASN 101 HB2 -0.24 0.04 0.18 -0.04 2.88 2.82 1b35B1 ASN 101 HB3 -0.14 -0.01 0.07 -0.04 2.79 2.66 1b35B1 ASN 101 HD21 -0.13 -0.06 -0.07 -0.04 7.03 6.72 1b35B1 ASN 101 HD22 -0.18 0.60 0.16 -0.04 7.74 8.28 1b35B1 PHE 102 H 0.24 0.66 0.41 -0.55 8.34 9.10 1b35B1 PHE 102 HA -0.06 0.01 0.92 -0.75 4.62 4.74 1b35B1 PHE 102 HB2 0.04 -0.04 0.16 -0.04 3.15 3.27 1b35B1 PHE 102 HB3 -0.23 0.05 -0.00 -0.04 3.06 2.84 1b35B1 PHE 102 HD2 -0.11 0.08 -0.09 -0.04 7.28 7.12 1b35B1 PHE 102 HE2 -0.07 0.02 -0.16 -0.04 7.38 7.13 1b35B1 PHE 102 HZ -0.03 0.04 -0.17 -0.04 7.32 7.12 1b35B1 PRO 103 HA 0.10 0.04 0.32 -0.51 4.44 4.40 1b35B1 PRO 103 HB2 -0.00 0.05 0.02 -0.04 2.28 2.30 1b35B1 PRO 103 HB3 0.20 0.07 0.01 -0.04 2.02 2.26 1b35B1 PRO 103 HG2 -0.48 0.09 -0.14 -0.04 2.03 1.46 1b35B1 PRO 103 HG3 -0.98 0.09 -0.08 -0.04 2.03 1.02 1b35B1 PRO 103 HD2 -0.06 0.21 0.27 -0.04 3.68 4.06 1b35B1 PRO 103 HD3 0.26 0.03 0.18 -0.04 3.65 4.08 1b35B1 GLU 104 H -0.19 0.14 -0.23 -0.55 8.60 7.77 1b35B1 GLU 104 HA -0.35 0.10 0.25 -0.75 4.29 3.53 1b35B1 GLU 104 HB2 -0.35 0.07 0.04 -0.04 2.09 1.81 1b35B1 GLU 104 HB3 -0.45 0.07 -0.11 -0.04 1.99 1.46 1b35B1 GLU 104 HG2 -0.60 0.07 -0.52 -0.04 2.34 1.26 1b35B1 GLU 104 HG3 -1.55 0.02 -0.21 -0.04 2.34 0.56 1b35B1 VAL 105 H -0.39 0.51 0.02 -0.55 8.24 7.83 1b35B1 VAL 105 HA -0.17 0.09 0.45 -0.75 4.13 3.74 1b35B1 VAL 105 HB -0.25 0.05 0.08 -0.04 2.12 1.97 1b35B1 VAL 105 HG13 -0.31 0.02 0.12 -0.04 0.97 0.75 1b35B1 VAL 105 HG23 -0.89 0.04 -0.16 -0.04 0.95 -0.09 1b35B1 LEU 106 H -0.11 0.30 -0.42 -0.55 8.37 7.60 1b35B1 LEU 106 HA -0.09 0.12 0.57 -0.75 4.35 4.20 1b35B1 LEU 106 HB2 0.12 0.10 0.10 -0.04 1.64 1.91 1b35B1 LEU 106 HB3 0.28 0.02 -0.04 -0.04 1.64 1.86 1b35B1 LEU 106 HG 0.17 -0.13 -0.06 -0.04 1.64 1.58 1b35B1 LEU 106 HD13 0.12 -0.00 -0.08 -0.04 0.93 0.93 1b35B1 LEU 106 HD23 0.17 0.02 -0.14 -0.04 0.89 0.90 1b35B1 ILE 107 H 0.06 0.51 -0.01 -0.55 8.25 8.27 1b35B1 ILE 107 HA 0.17 0.06 0.44 -0.75 4.18 4.10 1b35B1 ILE 107 HB 0.25 0.07 0.03 -0.04 1.89 2.20 1b35B1 ILE 107 HG12 0.23 0.00 -0.08 -0.04 1.49 1.60 1b35B1 ILE 107 HG13 0.17 -0.07 -0.08 -0.04 1.21 1.19 1b35B1 ILE 107 HG23 0.19 0.03 -0.09 -0.04 0.93 1.02 1b35B1 ILE 107 HD13 0.37 -0.00 -0.14 -0.04 0.88 1.07 1b35B1 SER 108 H 0.02 0.26 -0.30 -0.55 8.46 7.88 1b35B1 SER 108 HA 0.05 0.10 0.49 -0.75 4.49 4.37 1b35B1 SER 108 HB2 0.01 -0.09 0.10 -0.04 3.95 3.92 1b35B1 SER 108 HB3 -0.00 0.06 0.06 -0.04 3.93 4.00 1b35B1 ASN 109 H 0.01 0.24 -0.75 -0.55 8.53 7.48 1b35B1 ASN 109 HA -0.02 0.05 0.60 -0.75 4.76 4.63 1b35B1 ASN 109 HB2 -0.16 0.13 0.10 -0.04 2.88 2.91 1b35B1 ASN 109 HB3 -0.16 0.26 0.19 -0.04 2.79 3.04 1b35B1 ASN 109 HD21 -0.08 -0.03 0.03 -0.04 7.03 6.90 1b35B1 ASN 109 HD22 -0.11 0.12 0.04 -0.04 7.74 7.75 1b35B1 ALA 110 H 0.04 0.19 0.16 -0.55 8.40 8.24 1b35B1 ALA 110 HA 0.08 0.11 0.25 -0.75 4.34 4.02 1b35B1 ALA 110 HB3 0.05 0.01 0.09 -0.04 1.41 1.52 1b35B1 MET 111 H 0.10 0.08 -0.13 -0.55 8.47 7.98 1b35B1 MET 111 HA 0.18 0.07 0.39 -0.75 4.52 4.40 1b35B1 MET 111 HB2 0.16 -0.01 0.07 -0.04 2.15 2.32 1b35B1 MET 111 HB3 0.21 0.00 0.03 -0.04 2.03 2.24 1b35B1 MET 111 HG2 0.46 0.02 -0.27 -0.04 2.63 2.80 1b35B1 MET 111 HG3 0.37 -0.02 0.00 -0.04 2.56 2.87 1b35B1 MET 111 HE3 0.01 -0.01 -0.01 -0.04 2.10 2.05 1b35B1 TYR 112 H 0.30 0.15 -0.22 -0.55 8.29 7.97 1b35B1 TYR 112 HA 0.12 0.03 0.39 -0.75 4.56 4.36 1b35B1 TYR 112 HB2 0.08 0.21 0.17 -0.04 3.06 3.49 1b35B1 TYR 112 HB3 0.09 -0.04 -0.10 -0.04 2.98 2.89 1b35B1 TYR 112 HD2 0.11 -0.11 -0.13 -0.04 7.15 6.98 1b35B1 TYR 112 HE2 0.10 0.02 -0.03 -0.04 6.85 6.90 1b35B1 GLN 113 H 0.20 0.63 -0.07 -0.55 8.47 8.68 1b35B1 GLN 113 HA 0.15 -0.03 0.30 -0.75 4.36 4.03 1b35B1 GLN 113 HB2 0.12 0.27 0.01 -0.04 2.15 2.51 1b35B1 GLN 113 HB3 0.10 0.01 -0.00 -0.04 2.02 2.09 1b35B1 GLN 113 HG2 0.09 -0.08 -0.17 -0.04 2.40 2.20 1b35B1 GLN 113 HG3 0.10 -0.02 -0.01 -0.04 2.39 2.42 1b35B1 GLN 113 HE21 0.06 -0.14 -0.08 -0.04 6.97 6.76 1b35B1 GLN 113 HE22 0.08 0.49 0.01 -0.04 7.69 8.22 1b35B1 ASP 114 H 0.11 0.51 -0.22 -0.55 8.40 8.25 1b35B1 ASP 114 HA 0.06 0.01 0.40 -0.75 4.63 4.35 1b35B1 ASP 114 HB2 0.08 0.10 0.10 -0.04 2.71 2.94 1b35B1 ASP 114 HB3 0.03 -0.05 0.01 -0.04 2.70 2.65 1b35B1 LYS 115 H 0.07 0.39 -0.34 -0.55 8.42 7.99 1b35B1 LYS 115 HA -0.00 0.09 0.67 -0.75 4.32 4.32 1b35B1 LYS 115 HB2 0.01 0.17 0.15 -0.04 1.87 2.15 1b35B1 LYS 115 HB3 -0.04 -0.08 0.00 -0.04 1.79 1.63 1b35B1 LYS 115 HG2 -0.39 -0.06 0.03 -0.04 1.46 1.00 1b35B1 LYS 115 HG3 -0.25 -0.09 0.06 -0.04 1.46 1.14 1b35B1 LYS 115 HD2 -0.15 0.04 -0.30 -0.04 1.69 1.24 1b35B1 LYS 115 HD3 -0.17 0.14 -0.03 -0.04 1.68 1.58 1b35B1 LYS 115 HE2 -1.98 -0.04 -0.04 -0.04 2.99 0.88 1b35B1 LYS 115 HE3 -0.55 -0.03 -0.04 -0.04 2.99 2.32 1b35B1 LEU 116 H 0.10 0.38 -0.15 -0.55 8.37 8.16 1b35B1 LEU 116 HA 0.11 0.04 0.53 -0.75 4.35 4.28 1b35B1 LEU 116 HB2 0.14 0.10 0.01 -0.04 1.64 1.84 1b35B1 LEU 116 HB3 0.14 -0.08 0.00 -0.04 1.64 1.66 1b35B1 LEU 116 HG 0.05 0.11 -0.11 -0.04 1.64 1.65 1b35B1 LEU 116 HD13 0.16 -0.03 -0.20 -0.04 0.93 0.83 1b35B1 LEU 116 HD23 -0.03 -0.02 -0.11 -0.04 0.89 0.68 1b35B1 LYS 117 H 0.12 0.23 -0.37 -0.55 8.42 7.85 1b35B1 LYS 117 HA 0.10 -0.02 0.52 -0.75 4.32 4.17 1b35B1 LYS 117 HB2 0.05 0.12 0.09 -0.04 1.87 2.09 1b35B1 LYS 117 HB3 0.04 -0.03 0.02 -0.04 1.79 1.77 1b35B1 LYS 117 HG2 0.06 -0.11 0.03 -0.04 1.46 1.40 1b35B1 LYS 117 HG3 0.08 0.33 0.05 -0.04 1.46 1.87 1b35B1 LYS 117 HD2 0.04 0.03 0.03 -0.04 1.69 1.76 1b35B1 LYS 117 HD3 0.03 -0.04 0.01 -0.04 1.68 1.64 1b35B1 LYS 117 HE2 0.04 -0.04 -0.04 -0.04 2.99 2.91 1b35B1 LYS 117 HE3 0.05 0.01 -0.15 -0.04 2.99 2.87 1b35B1 GLY 118 H 0.03 0.18 0.18 -0.55 8.43 8.27 1b35B1 GLY 118 HA2 -0.09 0.21 0.43 -0.51 4.01 4.05 1b35B1 GLY 118 HA3 -0.18 0.09 0.69 -0.51 4.01 4.10 1b35B1 PHE 119 H 0.19 0.30 -0.11 -0.55 8.34 8.16 1b35B1 PHE 119 HA 0.00 0.36 0.90 -0.75 4.62 5.14 1b35B1 PHE 119 HB2 0.03 0.11 -0.07 -0.04 3.15 3.18 1b35B1 PHE 119 HB3 0.03 -0.06 -0.02 -0.04 3.06 2.97 1b35B1 PHE 119 HD2 0.01 0.01 -0.42 -0.04 7.28 6.84 1b35B1 PHE 119 HE2 -0.01 0.05 -0.10 -0.04 7.38 7.28 1b35B1 PHE 119 HZ -0.02 -0.11 -0.06 -0.04 7.32 7.10 1b35B1 VAL 120 H 0.21 0.67 0.42 -0.55 8.24 8.99 1b35B1 VAL 120 HA 0.07 0.07 0.84 -0.75 4.13 4.35 1b35B1 VAL 120 HB 0.09 0.07 0.18 -0.04 2.12 2.42 1b35B1 VAL 120 HG13 -0.01 -0.04 -0.11 -0.04 0.97 0.76 1b35B1 VAL 120 HG23 0.14 0.03 -0.19 -0.04 0.95 0.89 1b35B1 GLY 121 H 0.07 0.46 0.35 -0.55 8.43 8.77 1b35B1 GLY 121 HA2 0.06 0.40 1.12 -0.51 4.01 5.09 1b35B1 GLY 121 HA3 0.05 -0.04 0.25 -0.51 4.01 3.75 1b35B1 LEU 122 H 0.19 0.44 0.28 -0.55 8.37 8.73 1b35B1 LEU 122 HA 0.13 0.20 0.99 -0.75 4.35 4.92 1b35B1 LEU 122 HB2 0.12 0.05 -0.12 -0.04 1.64 1.65 1b35B1 LEU 122 HB3 0.24 -0.02 0.07 -0.04 1.64 1.89 1b35B1 LEU 122 HG 0.04 -0.01 -0.40 -0.04 1.64 1.23 1b35B1 LEU 122 HD13 0.01 0.01 -0.12 -0.04 0.93 0.79 1b35B1 LEU 122 HD23 0.16 -0.00 -0.14 -0.04 0.89 0.86 1b35B1 ARG 123 H 0.05 0.55 0.27 -0.55 8.46 8.78 1b35B1 ARG 123 HA -0.45 0.09 0.88 -0.75 4.34 4.10 1b35B1 ARG 123 HB2 -0.69 0.06 0.05 -0.04 1.90 1.27 1b35B1 ARG 123 HB3 -0.30 0.02 0.15 -0.04 1.80 1.63 1b35B1 ARG 123 HG2 -0.11 -0.03 -0.11 -0.04 1.67 1.39 1b35B1 ARG 123 HG3 -0.08 -0.00 0.16 -0.04 1.67 1.71 1b35B1 ARG 123 HD2 -0.75 -0.07 0.01 -0.04 3.22 2.37 1b35B1 ARG 123 HD3 -0.18 -0.08 0.01 -0.04 3.22 2.94 1b35B1 ALA 124 H -0.04 0.28 0.23 -0.55 8.40 8.33 1b35B1 ALA 124 HA 0.05 0.24 0.43 -0.75 4.34 4.30 1b35B1 ALA 124 HB3 0.09 0.02 -0.09 -0.04 1.41 1.39 1b35B1 THR 125 H 0.08 0.61 0.25 -0.55 8.28 8.67 1b35B1 THR 125 HA 0.17 0.12 0.93 -0.75 4.39 4.85 1b35B1 THR 125 HB 0.03 -0.05 0.05 -0.04 4.32 4.32 1b35B1 THR 125 HG23 -0.01 0.01 -0.24 -0.04 1.22 0.94 1b35B1 LEU 126 H 0.05 0.86 0.36 -0.55 8.37 9.10 1b35B1 LEU 126 HA -0.21 0.20 0.95 -0.75 4.35 4.54 1b35B1 LEU 126 HB2 -0.81 -0.04 -0.05 -0.04 1.64 0.70 1b35B1 LEU 126 HB3 -0.38 0.04 0.10 -0.04 1.64 1.36 1b35B1 LEU 126 HG -0.55 -0.01 -0.38 -0.04 1.64 0.66 1b35B1 LEU 126 HD13 -0.41 0.02 -0.05 -0.04 0.93 0.45 1b35B1 LEU 126 HD23 -1.25 -0.03 -0.13 -0.04 0.89 -0.55 1b35B1 VAL 127 H -0.34 0.58 0.32 -0.55 8.24 8.25 1b35B1 VAL 127 HA -0.22 0.28 1.09 -0.75 4.13 4.52 1b35B1 VAL 127 HB -0.95 0.00 0.06 -0.04 2.12 1.19 1b35B1 VAL 127 HG13 -0.08 -0.01 -0.20 -0.04 0.97 0.64 1b35B1 VAL 127 HG23 -0.17 -0.00 -0.25 -0.04 0.95 0.49 1b35B1 VAL 128 H -0.18 0.59 0.29 -0.55 8.24 8.39 1b35B1 VAL 128 HA -0.04 0.33 1.15 -0.75 4.13 4.81 1b35B1 VAL 128 HB -0.16 -0.03 0.06 -0.04 2.12 1.95 1b35B1 VAL 128 HG13 0.03 0.01 -0.18 -0.04 0.97 0.79 1b35B1 VAL 128 HG23 -0.41 -0.01 -0.16 -0.04 0.95 0.33 1b35B1 LYS 129 H 0.14 0.67 0.33 -0.55 8.42 9.01 1b35B1 LYS 129 HA 0.06 0.32 1.13 -0.75 4.32 5.07 1b35B1 LYS 129 HB2 0.06 0.00 -0.16 -0.04 1.87 1.73 1b35B1 LYS 129 HB3 0.19 -0.07 0.03 -0.04 1.79 1.90 1b35B1 LYS 129 HG2 0.13 -0.01 -0.26 -0.04 1.46 1.27 1b35B1 LYS 129 HG3 0.04 0.03 -0.05 -0.04 1.46 1.44 1b35B1 LYS 129 HD2 -0.18 -0.03 -0.12 -0.04 1.69 1.32 1b35B1 LYS 129 HD3 -0.06 -0.01 -0.12 -0.04 1.68 1.45 1b35B1 LYS 129 HE2 -0.04 -0.00 -0.12 -0.04 2.99 2.79 1b35B1 LYS 129 HE3 -0.03 0.00 -0.14 -0.04 2.99 2.78 1b35B1 VAL 130 H 0.09 0.55 0.30 -0.55 8.24 8.63 1b35B1 VAL 130 HA 0.18 0.35 1.12 -0.75 4.13 5.03 1b35B1 VAL 130 HB 0.04 -0.05 0.06 -0.04 2.12 2.13 1b35B1 VAL 130 HG13 0.02 -0.00 -0.26 -0.04 0.97 0.69 1b35B1 VAL 130 HG23 0.05 -0.00 -0.25 -0.04 0.95 0.70 1b35B1 GLN 131 H 0.25 0.59 0.33 -0.55 8.47 9.09 1b35B1 GLN 131 HA 0.13 0.25 1.05 -0.75 4.36 5.04 1b35B1 GLN 131 HB2 0.28 -0.08 0.15 -0.04 2.15 2.46 1b35B1 GLN 131 HB3 0.16 0.08 0.03 -0.04 2.02 2.25 1b35B1 GLN 131 HG2 0.10 0.00 -0.08 -0.04 2.40 2.39 1b35B1 GLN 131 HG3 0.30 -0.04 -0.11 -0.04 2.39 2.49 1b35B1 GLN 131 HE21 -0.10 0.00 -0.07 -0.04 6.97 6.76 1b35B1 GLN 131 HE22 -0.04 -0.01 -0.08 -0.04 7.69 7.52 1b35B1 VAL 132 H 0.13 0.74 0.38 -0.55 8.24 8.93 1b35B1 VAL 132 HA 0.21 0.23 1.13 -0.75 4.13 4.94 1b35B1 VAL 132 HB 0.17 0.04 -0.09 -0.04 2.12 2.20 1b35B1 VAL 132 HG13 0.32 -0.02 -0.14 -0.04 0.97 1.10 1b35B1 VAL 132 HG23 0.18 -0.01 -0.31 -0.04 0.95 0.77 1b35B1 ASN 133 H 0.13 0.43 0.21 -0.55 8.53 8.76 1b35B1 ASN 133 HA 0.06 0.21 0.98 -0.75 4.76 5.25 1b35B1 ASN 133 HB2 0.06 -0.05 0.11 -0.04 2.88 2.96 1b35B1 ASN 133 HB3 0.04 -0.02 0.02 -0.04 2.79 2.79 1b35B1 ASN 133 HD21 0.08 -0.01 -0.18 -0.04 7.03 6.88 1b35B1 ASN 133 HD22 0.09 -0.05 -0.31 -0.04 7.74 7.43 1b35B1 SER 134 H 0.03 0.33 0.14 -0.55 8.46 8.41 1b35B1 SER 134 HA -0.02 0.10 0.84 -0.75 4.49 4.65 1b35B1 SER 134 HB2 -0.05 -0.02 0.00 -0.04 3.95 3.84 1b35B1 SER 134 HB3 -0.03 -0.05 -0.13 -0.04 3.93 3.68 1b35B1 GLN 135 H -0.03 0.06 0.14 -0.55 8.47 8.09 1b35B1 GLN 135 HA -0.06 0.26 0.83 -0.75 4.36 4.64 1b35B1 GLN 135 HB2 -0.07 0.01 0.11 -0.04 2.15 2.16 1b35B1 GLN 135 HB3 -0.03 0.05 0.04 -0.04 2.02 2.04 1b35B1 GLN 135 HG2 0.00 0.05 0.02 -0.04 2.40 2.43 1b35B1 GLN 135 HG3 -0.01 -0.06 0.12 -0.04 2.39 2.40 1b35B1 GLN 135 HE21 0.13 0.01 -0.06 -0.04 6.97 7.00 1b35B1 GLN 135 HE22 0.04 0.03 -0.03 -0.04 7.69 7.69 1b35B1 PRO 136 HA -0.15 0.16 0.41 -0.51 4.44 4.36 1b35B1 PRO 136 HB2 -0.79 -0.02 0.05 -0.04 2.28 1.48 1b35B1 PRO 136 HB3 -0.31 0.06 0.14 -0.04 2.02 1.87 1b35B1 PRO 136 HG2 -0.22 0.03 0.10 -0.04 2.03 1.89 1b35B1 PRO 136 HG3 -0.15 0.11 0.12 -0.04 2.03 2.07 1b35B1 PRO 136 HD2 -0.23 0.06 0.19 -0.04 3.68 3.66 1b35B1 PRO 136 HD3 -0.12 0.17 0.27 -0.04 3.65 3.94 1b35B1 PHE 137 H -0.14 0.03 -0.34 -0.55 8.34 7.33 1b35B1 PHE 137 HA -0.01 0.25 0.88 -0.75 4.62 4.99 1b35B1 PHE 137 HB2 -0.01 -0.04 0.04 -0.04 3.15 3.10 1b35B1 PHE 137 HB3 -0.01 -0.04 0.18 -0.04 3.06 3.15 1b35B1 PHE 137 HD2 -0.01 0.04 -0.03 -0.04 7.28 7.24 1b35B1 PHE 137 HE2 -0.01 0.01 -0.02 -0.04 7.38 7.33 1b35B1 PHE 137 HZ -0.00 0.01 -0.01 -0.04 7.32 7.27 1b35B1 GLN 138 H 0.01 0.47 -0.10 -0.55 8.47 8.31 1b35B1 GLN 138 HA 0.04 0.17 1.04 -0.75 4.36 4.85 1b35B1 GLN 138 HB2 -0.04 0.06 0.06 -0.04 2.15 2.18 1b35B1 GLN 138 HB3 -0.08 0.05 0.05 -0.04 2.02 2.00 1b35B1 GLN 138 HG2 -0.00 -0.04 0.00 -0.04 2.40 2.32 1b35B1 GLN 138 HG3 0.02 -0.12 -0.11 -0.04 2.39 2.15 1b35B1 GLN 138 HE21 -0.05 0.06 -0.10 -0.04 6.97 6.84 1b35B1 GLN 138 HE22 -0.04 -0.05 -0.07 -0.04 7.69 7.48 1b35B1 GLN 139 H 0.02 0.38 0.35 -0.55 8.47 8.67 1b35B1 GLN 139 HA 0.02 0.11 0.91 -0.75 4.36 4.64 1b35B1 GLN 139 HB2 0.06 -0.02 0.05 -0.04 2.15 2.20 1b35B1 GLN 139 HB3 0.04 0.06 -0.08 -0.04 2.02 2.00 1b35B1 GLN 139 HG2 0.08 0.01 0.15 -0.04 2.40 2.61 1b35B1 GLN 139 HG3 0.18 0.04 0.01 -0.04 2.39 2.57 1b35B1 GLN 139 HE21 -0.03 -0.01 -0.05 -0.04 6.97 6.84 1b35B1 GLN 139 HE22 0.02 0.03 -0.09 -0.04 7.69 7.61 1b35B1 GLY 140 H 0.06 0.13 0.23 -0.55 8.43 8.30 1b35B1 GLY 140 HA2 0.13 0.25 0.28 -0.51 4.01 4.17 1b35B1 GLY 140 HA3 0.03 0.09 0.41 -0.51 4.01 4.04 1b35B1 ARG 141 H 0.35 0.53 0.22 -0.55 8.46 9.01 1b35B1 ARG 141 HA 0.21 0.35 1.07 -0.75 4.34 5.22 1b35B1 ARG 141 HB2 0.06 -0.04 -0.12 -0.04 1.90 1.77 1b35B1 ARG 141 HB3 0.09 -0.09 0.04 -0.04 1.80 1.79 1b35B1 ARG 141 HG2 0.04 -0.02 -0.17 -0.04 1.67 1.48 1b35B1 ARG 141 HG3 0.18 0.13 -0.08 -0.04 1.67 1.85 1b35B1 ARG 141 HD2 0.06 -0.05 -0.21 -0.04 3.22 2.97 1b35B1 ARG 141 HD3 -0.04 -0.01 -0.13 -0.04 3.22 3.00 1b35B1 LEU 142 H 0.16 0.42 0.26 -0.55 8.37 8.67 1b35B1 LEU 142 HA -0.23 0.12 1.06 -0.75 4.35 4.55 1b35B1 LEU 142 HB2 -0.13 -0.02 -0.11 -0.04 1.64 1.34 1b35B1 LEU 142 HB3 -0.03 -0.02 -0.03 -0.04 1.64 1.52 1b35B1 LEU 142 HG -0.34 0.09 -0.15 -0.04 1.64 1.20 1b35B1 LEU 142 HD13 -1.25 0.01 -0.14 -0.04 0.93 -0.49 1b35B1 LEU 142 HD23 -0.29 -0.00 -0.21 -0.04 0.89 0.34 1b35B1 MET 143 H -0.19 0.64 0.39 -0.55 8.47 8.76 1b35B1 MET 143 HA -0.06 0.21 1.22 -0.75 4.52 5.15 1b35B1 MET 143 HB2 -0.30 -0.06 -0.08 -0.04 2.15 1.67 1b35B1 MET 143 HB3 -0.20 -0.00 0.07 -0.04 2.03 1.85 1b35B1 MET 143 HG2 -0.13 0.00 -0.46 -0.04 2.63 2.00 1b35B1 MET 143 HG3 -0.21 0.12 -0.06 -0.04 2.56 2.36 1b35B1 MET 143 HE3 -0.87 -0.00 -0.12 -0.04 2.10 1.07 1b35B1 LEU 144 H -0.05 0.76 0.33 -0.55 8.37 8.87 1b35B1 LEU 144 HA -0.02 0.18 0.95 -0.75 4.35 4.70 1b35B1 LEU 144 HB2 -0.02 -0.05 -0.10 -0.04 1.64 1.43 1b35B1 LEU 144 HB3 -0.01 -0.05 0.05 -0.04 1.64 1.59 1b35B1 LEU 144 HG 0.02 0.06 -0.40 -0.04 1.64 1.28 1b35B1 LEU 144 HD13 0.03 0.00 -0.12 -0.04 0.93 0.80 1b35B1 LEU 144 HD23 -0.01 -0.02 -0.25 -0.04 0.89 0.57 1b35B1 GLN 145 H 0.07 0.60 0.34 -0.55 8.47 8.93 1b35B1 GLN 145 HA 0.06 0.34 1.01 -0.75 4.36 5.02 1b35B1 GLN 145 HB2 -0.02 0.00 -0.10 -0.04 2.15 1.99 1b35B1 GLN 145 HB3 0.12 -0.06 0.06 -0.04 2.02 2.09 1b35B1 GLN 145 HG2 0.15 -0.01 -0.18 -0.04 2.40 2.32 1b35B1 GLN 145 HG3 -0.00 0.25 0.05 -0.04 2.39 2.64 1b35B1 GLN 145 HE21 -0.34 -0.05 -0.14 -0.04 6.97 6.41 1b35B1 GLN 145 HE22 -0.14 0.07 -0.09 -0.04 7.69 7.49 1b35B1 TYR 146 H 0.17 0.61 0.28 -0.55 8.29 8.81 1b35B1 TYR 146 HA 0.11 0.23 0.92 -0.75 4.56 5.07 1b35B1 TYR 146 HB2 -0.00 -0.04 -0.21 -0.04 3.06 2.76 1b35B1 TYR 146 HB3 0.02 0.06 -0.04 -0.04 2.98 2.98 1b35B1 TYR 146 HD2 -0.00 0.02 -0.27 -0.04 7.15 6.86 1b35B1 TYR 146 HE2 0.05 -0.05 -0.23 -0.04 6.85 6.58 1b35B1 ILE 147 H -0.51 0.48 0.28 -0.55 8.25 7.96 1b35B1 ILE 147 HA -0.22 0.25 0.90 -0.75 4.18 4.36 1b35B1 ILE 147 HB 0.06 -0.11 0.12 -0.04 1.89 1.93 1b35B1 ILE 147 HG12 -0.04 0.09 0.03 -0.04 1.49 1.54 1b35B1 ILE 147 HG13 0.05 -0.03 -0.49 -0.04 1.21 0.70 1b35B1 ILE 147 HG23 -0.03 -0.00 -0.13 -0.04 0.93 0.72 1b35B1 ILE 147 HD13 -0.09 -0.01 -0.07 -0.04 0.88 0.66 1b35B1 PRO 148 HA -0.08 0.11 0.74 -0.51 4.44 4.70 1b35B1 PRO 148 HB2 0.08 0.09 0.09 -0.04 2.28 2.51 1b35B1 PRO 148 HB3 0.16 0.04 0.14 -0.04 2.02 2.32 1b35B1 PRO 148 HG2 -0.00 0.01 0.13 -0.04 2.03 2.12 1b35B1 PRO 148 HG3 0.03 0.06 0.10 -0.04 2.03 2.18 1b35B1 PRO 148 HD2 -0.09 0.12 0.28 -0.04 3.68 3.95 1b35B1 PRO 148 HD3 -0.08 0.17 0.13 -0.04 3.65 3.82 1b35B1 TYR 149 H 0.22 0.72 0.42 -0.55 8.29 9.09 1b35B1 TYR 149 HA 0.15 0.00 0.27 -0.75 4.56 4.23 1b35B1 TYR 149 HB2 -0.01 0.08 -0.38 -0.04 3.06 2.72 1b35B1 TYR 149 HB3 0.05 -0.04 0.16 -0.04 2.98 3.10 1b35B1 TYR 149 HD2 -0.07 0.08 0.07 -0.04 7.15 7.20 1b35B1 TYR 149 HE2 -0.42 0.06 0.11 -0.04 6.85 6.57 1b35B1 ALA 150 H 0.02 0.18 -0.36 -0.55 8.40 7.70 1b35B1 ALA 150 HA 0.06 0.11 0.20 -0.75 4.34 3.95 1b35B1 ALA 150 HB3 0.03 0.02 0.03 -0.04 1.41 1.45 1b35B1 GLN 151 H -0.02 0.03 -0.35 -0.55 8.47 7.58 1b35B1 GLN 151 HA -0.08 0.05 0.31 -0.75 4.36 3.88 1b35B1 GLN 151 HB2 -0.24 0.05 -0.01 -0.04 2.15 1.91 1b35B1 GLN 151 HB3 -0.25 0.00 -0.01 -0.04 2.02 1.72 1b35B1 GLN 151 HG2 -0.14 -0.02 0.03 -0.04 2.40 2.22 1b35B1 GLN 151 HG3 -0.10 -0.02 -0.01 -0.04 2.39 2.22 1b35B1 GLN 151 HE21 0.09 0.17 0.17 -0.04 6.97 7.36 1b35B1 GLN 151 HE22 -0.06 -0.10 -0.06 -0.04 7.69 7.43 1b35B1 TYR 152 H 0.13 0.38 -0.27 -0.55 8.29 7.98 1b35B1 TYR 152 HA -0.01 0.17 0.77 -0.75 4.56 4.74 1b35B1 TYR 152 HB2 0.08 0.09 0.07 -0.04 3.06 3.26 1b35B1 TYR 152 HB3 0.09 -0.02 0.11 -0.04 2.98 3.11 1b35B1 TYR 152 HD2 -0.34 -0.02 -0.01 -0.04 7.15 6.74 1b35B1 TYR 152 HE2 -0.19 0.10 -0.18 -0.04 6.85 6.54 1b35B1 MET 153 H 0.10 0.34 -0.29 -0.55 8.47 8.08 1b35B1 MET 153 HA 0.08 0.21 0.99 -0.75 4.52 5.05 1b35B1 MET 153 HB2 0.08 0.02 0.13 -0.04 2.15 2.33 1b35B1 MET 153 HB3 0.06 -0.15 0.13 -0.04 2.03 2.03 1b35B1 MET 153 HG2 0.14 0.13 -0.31 -0.04 2.63 2.54 1b35B1 MET 153 HG3 0.21 0.10 -0.23 -0.04 2.56 2.60 1b35B1 MET 153 HE3 0.08 0.01 -0.06 -0.04 2.10 2.09 1b35B1 PRO 154 HA 0.02 0.09 0.37 -0.51 4.44 4.41 1b35B1 PRO 154 HB2 0.01 -0.01 0.01 -0.04 2.28 2.25 1b35B1 PRO 154 HB3 0.00 0.04 0.04 -0.04 2.02 2.06 1b35B1 PRO 154 HG2 0.01 0.05 0.01 -0.04 2.03 2.06 1b35B1 PRO 154 HG3 -0.00 0.11 -0.00 -0.04 2.03 2.10 1b35B1 PRO 154 HD2 0.04 0.10 0.03 -0.04 3.68 3.80 1b35B1 PRO 154 HD3 0.04 0.19 -0.59 -0.04 3.65 3.25 1b35B1 ASN 155 H 0.02 0.16 -0.18 -0.55 8.53 7.98 1b35B1 ASN 155 HA 0.00 0.13 0.55 -0.75 4.76 4.69 1b35B1 ASN 155 HB2 0.00 0.03 -0.00 -0.04 2.88 2.87 1b35B1 ASN 155 HB3 0.01 0.04 0.06 -0.04 2.79 2.85 1b35B1 ASN 155 HD21 0.02 0.04 0.01 -0.04 7.03 7.06 1b35B1 ASN 155 HD22 0.01 0.01 -0.00 -0.04 7.74 7.72 1b35B1 ARG 156 H 0.02 0.14 -0.14 -0.55 8.46 7.93 1b35B1 ARG 156 HA -0.00 0.06 0.44 -0.75 4.34 4.08 1b35B1 ARG 156 HB2 0.02 0.12 0.12 -0.04 1.90 2.12 1b35B1 ARG 156 HB3 0.00 0.03 0.01 -0.04 1.80 1.80 1b35B1 ARG 156 HG2 0.02 -0.08 0.04 -0.04 1.67 1.61 1b35B1 ARG 156 HG3 0.02 0.05 0.02 -0.04 1.67 1.73 1b35B1 ARG 156 HD2 0.00 -0.03 -0.01 -0.04 3.22 3.14 1b35B1 ARG 156 HD3 0.00 0.01 -0.00 -0.04 3.22 3.19 1b35B1 VAL 157 H 0.01 0.51 -0.16 -0.55 8.24 8.04 1b35B1 VAL 157 HA -0.04 0.05 0.38 -0.75 4.13 3.77 1b35B1 VAL 157 HB 0.01 0.08 0.06 -0.04 2.12 2.23 1b35B1 VAL 157 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.73 1b35B1 VAL 157 HG23 0.04 0.02 -0.01 -0.04 0.95 0.96 1b35B1 THR 158 H -0.02 0.35 -0.30 -0.55 8.28 7.77 1b35B1 THR 158 HA -0.05 0.05 0.41 -0.75 4.39 4.05 1b35B1 THR 158 HB -0.01 0.05 0.15 -0.04 4.32 4.47 1b35B1 THR 158 HG23 -0.02 -0.02 -0.10 -0.04 1.22 1.04 1b35B1 LEU 159 H -0.02 0.44 -0.19 -0.55 8.37 8.05 1b35B1 LEU 159 HA -0.02 0.01 0.39 -0.75 4.35 3.97 1b35B1 LEU 159 HB2 -0.02 0.15 0.16 -0.04 1.64 1.89 1b35B1 LEU 159 HB3 -0.02 -0.04 -0.03 -0.04 1.64 1.51 1b35B1 LEU 159 HG -0.01 0.14 0.07 -0.04 1.64 1.80 1b35B1 LEU 159 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 1b35B1 LEU 159 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 1b35B1 ILE 160 H -0.05 0.39 -0.24 -0.55 8.25 7.80 1b35B1 ILE 160 HA -0.05 -0.00 0.41 -0.75 4.18 3.78 1b35B1 ILE 160 HB -0.09 0.10 0.08 -0.04 1.89 1.94 1b35B1 ILE 160 HG12 -0.04 -0.04 -0.00 -0.04 1.49 1.37 1b35B1 ILE 160 HG13 -0.04 0.03 0.06 -0.04 1.21 1.23 1b35B1 ILE 160 HG23 -0.09 -0.01 -0.28 -0.04 0.93 0.51 1b35B1 ILE 160 HD13 -0.03 -0.01 -0.05 -0.04 0.88 0.74 1b35B1 ASN 161 H -0.10 0.44 -0.22 -0.55 8.53 8.11 1b35B1 ASN 161 HA -0.14 0.09 0.48 -0.75 4.76 4.44 1b35B1 ASN 161 HB2 -0.13 0.06 0.06 -0.04 2.88 2.82 1b35B1 ASN 161 HB3 -0.16 -0.05 0.08 -0.04 2.79 2.62 1b35B1 ASN 161 HD21 -0.99 -0.06 -0.10 -0.04 7.03 5.84 1b35B1 ASN 161 HD22 -0.29 -0.04 -0.09 -0.04 7.74 7.28 1b35B1 GLU 162 H -0.05 0.32 -0.58 -0.55 8.60 7.74 1b35B1 GLU 162 HA -0.04 0.04 0.48 -0.75 4.29 4.02 1b35B1 GLU 162 HB2 -0.03 0.16 0.10 -0.04 2.09 2.28 1b35B1 GLU 162 HB3 -0.02 -0.11 0.03 -0.04 1.99 1.85 1b35B1 GLU 162 HG2 -0.03 0.37 0.06 -0.04 2.34 2.70 1b35B1 GLU 162 HG3 -0.02 -0.09 0.03 -0.04 2.34 2.22 1b35B1 THR 163 H -0.04 0.34 -0.14 -0.55 8.28 7.89 1b35B1 THR 163 HA -0.02 0.24 0.94 -0.75 4.39 4.80 1b35B1 THR 163 HB -0.01 -0.09 0.10 -0.04 4.32 4.28 1b35B1 THR 163 HG23 -0.01 0.04 -0.15 -0.04 1.22 1.06 1b35B1 LEU 164 H -0.01 0.19 0.14 -0.55 8.37 8.14 1b35B1 LEU 164 HA -0.05 0.16 0.42 -0.75 4.35 4.13 1b35B1 LEU 164 HB2 0.01 0.07 0.09 -0.04 1.64 1.77 1b35B1 LEU 164 HB3 0.03 -0.02 0.08 -0.04 1.64 1.69 1b35B1 LEU 164 HG 0.03 -0.02 -0.12 -0.04 1.64 1.50 1b35B1 LEU 164 HD13 -0.10 0.00 -0.01 -0.04 0.93 0.78 1b35B1 LEU 164 HD23 0.19 0.01 -0.00 -0.04 0.89 1.05 1b35B1 GLN 165 H -0.00 0.07 -0.11 -0.55 8.47 7.88 1b35B1 GLN 165 HA 0.01 0.11 0.41 -0.75 4.36 4.13 1b35B1 GLN 165 HB2 -0.00 0.07 -0.06 -0.04 2.15 2.12 1b35B1 GLN 165 HB3 0.01 0.03 0.06 -0.04 2.02 2.08 1b35B1 GLN 165 HG2 -0.01 -0.07 0.01 -0.04 2.40 2.30 1b35B1 GLN 165 HG3 0.00 0.06 -0.01 -0.04 2.39 2.40 1b35B1 GLN 165 HE21 0.02 0.02 0.01 -0.04 6.97 6.98 1b35B1 GLN 165 HE22 0.02 0.04 0.01 -0.04 7.69 7.72 1b35B1 GLY 166 H -0.03 0.07 -0.39 -0.55 8.43 7.53 1b35B1 GLY 166 HA2 -0.03 0.03 0.40 -0.51 4.01 3.90 1b35B1 GLY 166 HA3 -0.04 0.19 0.34 -0.51 4.01 3.99 1b35B1 ARG 167 H -0.07 0.32 -0.11 -0.55 8.46 8.04 1b35B1 ARG 167 HA -0.11 0.03 0.31 -0.75 4.34 3.82 1b35B1 ARG 167 HB2 -0.13 0.03 0.02 -0.04 1.90 1.79 1b35B1 ARG 167 HB3 -0.15 -0.06 -0.05 -0.04 1.80 1.51 1b35B1 ARG 167 HG2 -0.16 -0.03 -0.08 -0.04 1.67 1.36 1b35B1 ARG 167 HG3 -0.10 0.28 0.08 -0.04 1.67 1.90 1b35B1 ARG 167 HD2 -0.11 0.11 -0.11 -0.04 3.22 3.07 1b35B1 ARG 167 HD3 -0.11 -0.07 -0.10 -0.04 3.22 2.90 1b35B1 SER 168 H -0.08 0.46 -0.24 -0.55 8.46 8.06 1b35B1 SER 168 HA -0.12 0.03 0.34 -0.75 4.49 3.99 1b35B1 SER 168 HB2 -0.04 -0.06 0.03 -0.04 3.95 3.84 1b35B1 SER 168 HB3 -0.10 -0.01 0.06 -0.04 3.93 3.84 1b35B1 GLY 169 H -0.04 0.27 -0.53 -0.55 8.43 7.59 1b35B1 GLY 169 HA2 -0.01 0.01 0.51 -0.51 4.01 4.02 1b35B1 GLY 169 HA3 -0.01 -0.05 0.29 -0.51 4.01 3.73 1b35B1 CYS 170 H -0.03 0.26 -0.35 -0.55 8.50 7.84 1b35B1 CYS 170 HA 0.00 0.02 0.59 -0.75 4.58 4.44 1b35B1 CYS 170 HB2 -0.00 0.06 0.07 -0.04 2.97 3.06 1b35B1 CYS 170 HB3 0.02 0.20 0.32 -0.04 2.97 3.47 1b35B1 PRO 171 HA 0.05 0.02 0.53 -0.51 4.44 4.53 1b35B1 PRO 171 HB2 0.24 -0.06 0.13 -0.04 2.28 2.55 1b35B1 PRO 171 HB3 0.10 -0.00 0.10 -0.04 2.02 2.18 1b35B1 PRO 171 HG2 0.22 -0.03 0.09 -0.04 2.03 2.27 1b35B1 PRO 171 HG3 0.09 0.02 0.11 -0.04 2.03 2.21 1b35B1 PRO 171 HD2 0.08 0.36 0.37 -0.04 3.68 4.46 1b35B1 PRO 171 HD3 0.05 0.07 0.24 -0.04 3.65 3.97 1b35B1 ARG 172 H 0.02 0.19 0.30 -0.55 8.46 8.41 1b35B1 ARG 172 HA 0.02 0.09 0.62 -0.75 4.34 4.32 1b35B1 ARG 172 HB2 -0.01 -0.03 0.15 -0.04 1.90 1.96 1b35B1 ARG 172 HB3 -0.01 0.25 -0.31 -0.04 1.80 1.69 1b35B1 ARG 172 HG2 -0.04 0.02 -0.28 -0.04 1.67 1.33 1b35B1 ARG 172 HG3 -0.11 -0.12 -0.11 -0.04 1.67 1.29 1b35B1 ARG 172 HD2 -0.10 -0.11 0.05 -0.04 3.22 3.02 1b35B1 ARG 172 HD3 -0.02 0.16 -0.00 -0.04 3.22 3.31 1b35B1 THR 173 H -0.01 0.61 0.41 -0.55 8.28 8.74 1b35B1 THR 173 HA 0.02 0.17 0.80 -0.75 4.39 4.62 1b35B1 THR 173 HB 0.01 -0.08 -0.05 -0.04 4.32 4.15 1b35B1 THR 173 HG23 0.02 -0.03 0.19 -0.04 1.22 1.36 1b35B1 ASP 174 H 0.04 0.33 0.29 -0.55 8.40 8.51 1b35B1 ASP 174 HA 0.03 0.15 0.74 -0.75 4.63 4.79 1b35B1 ASP 174 HB2 0.22 0.03 0.01 -0.04 2.71 2.93 1b35B1 ASP 174 HB3 0.03 0.06 -0.08 -0.04 2.70 2.67 1b35B1 LEU 175 H 0.09 0.47 0.33 -0.55 8.37 8.72 1b35B1 LEU 175 HA 0.07 0.16 0.81 -0.75 4.35 4.65 1b35B1 LEU 175 HB2 0.06 -0.02 0.11 -0.04 1.64 1.75 1b35B1 LEU 175 HB3 0.06 0.05 -0.30 -0.04 1.64 1.40 1b35B1 LEU 175 HG 0.10 0.06 -0.49 -0.04 1.64 1.28 1b35B1 LEU 175 HD13 0.07 -0.01 -0.39 -0.04 0.93 0.56 1b35B1 LEU 175 HD23 0.10 -0.05 -0.10 -0.04 0.89 0.79 1b35B1 GLU 176 H 0.06 0.18 0.19 -0.55 8.60 8.49 1b35B1 GLU 176 HA 0.09 0.21 0.86 -0.75 4.29 4.69 1b35B1 GLU 176 HB2 0.04 0.03 0.16 -0.04 2.09 2.28 1b35B1 GLU 176 HB3 0.04 -0.11 0.04 -0.04 1.99 1.92 1b35B1 GLU 176 HG2 0.04 0.04 0.02 -0.04 2.34 2.40 1b35B1 GLU 176 HG3 0.02 0.04 0.02 -0.04 2.34 2.38 1b35B1 LEU 177 H 0.10 0.67 0.35 -0.55 8.37 8.95 1b35B1 LEU 177 HA 0.09 0.15 0.42 -0.75 4.35 4.25 1b35B1 LEU 177 HB2 0.03 -0.08 0.07 -0.04 1.64 1.62 1b35B1 LEU 177 HB3 0.01 0.03 -0.11 -0.04 1.64 1.54 1b35B1 LEU 177 HG 0.22 0.08 -0.22 -0.04 1.64 1.67 1b35B1 LEU 177 HD13 -0.30 -0.01 -0.32 -0.04 0.93 0.26 1b35B1 LEU 177 HD23 0.22 -0.00 -0.19 -0.04 0.89 0.88 1b35B1 SER 178 H 0.03 0.01 -0.08 -0.55 8.46 7.88 1b35B1 SER 178 HA -0.00 0.20 0.44 -0.75 4.49 4.37 1b35B1 SER 178 HB2 -0.00 0.05 0.16 -0.04 3.95 4.12 1b35B1 SER 178 HB3 0.01 0.04 0.13 -0.04 3.93 4.08 1b35B1 VAL 179 H 0.03 0.04 -0.37 -0.55 8.24 7.39 1b35B1 VAL 179 HA 0.01 0.22 0.79 -0.75 4.13 4.39 1b35B1 VAL 179 HB 0.01 -0.01 0.12 -0.04 2.12 2.20 1b35B1 VAL 179 HG13 0.01 -0.02 -0.23 -0.04 0.97 0.69 1b35B1 VAL 179 HG23 0.02 -0.03 -0.08 -0.04 0.95 0.82 1b35B1 GLY 180 H 0.04 0.28 0.14 -0.55 8.43 8.34 1b35B1 GLY 180 HA2 0.03 0.14 0.94 -0.51 4.01 4.61 1b35B1 GLY 180 HA3 0.05 -0.03 0.35 -0.51 4.01 3.86 1b35B1 THR 181 H 0.04 0.01 0.25 -0.55 8.28 8.03 1b35B1 THR 181 HA 0.06 0.31 1.11 -0.75 4.39 5.11 1b35B1 THR 181 HB 0.03 -0.05 0.08 -0.04 4.32 4.33 1b35B1 THR 181 HG23 0.05 0.01 0.04 -0.04 1.22 1.27 1b35B1 GLU 182 H 0.04 0.07 0.27 -0.55 8.60 8.43 1b35B1 GLU 182 HA 0.07 0.38 1.05 -0.75 4.29 5.04 1b35B1 GLU 182 HB2 0.03 -0.02 -0.12 -0.04 2.09 1.93 1b35B1 GLU 182 HB3 0.05 0.00 0.03 -0.04 1.99 2.04 1b35B1 GLU 182 HG2 0.05 0.07 -0.19 -0.04 2.34 2.24 1b35B1 GLU 182 HG3 0.03 -0.11 -0.21 -0.04 2.34 2.00 1b35B1 VAL 183 H 0.05 0.38 0.28 -0.55 8.24 8.40 1b35B1 VAL 183 HA 0.02 0.11 0.68 -0.75 4.13 4.19 1b35B1 VAL 183 HB 0.03 0.00 -0.25 -0.04 2.12 1.87 1b35B1 VAL 183 HG13 0.01 -0.02 -0.23 -0.04 0.97 0.69 1b35B1 VAL 183 HG23 0.03 0.02 -0.08 -0.04 0.95 0.87 1b35B1 GLU 184 H 0.01 0.25 0.17 -0.55 8.60 8.49 1b35B1 GLU 184 HA 0.00 0.34 1.08 -0.75 4.29 4.95 1b35B1 GLU 184 HB2 0.01 -0.07 -0.22 -0.04 2.09 1.77 1b35B1 GLU 184 HB3 -0.01 -0.02 -0.01 -0.04 1.99 1.92 1b35B1 GLU 184 HG2 -0.03 0.02 -0.19 -0.04 2.34 2.10 1b35B1 GLU 184 HG3 0.00 0.07 -0.11 -0.04 2.34 2.26 1b35B1 MET 185 H -0.06 0.67 0.30 -0.55 8.47 8.84 1b35B1 MET 185 HA -0.05 0.17 0.96 -0.75 4.52 4.84 1b35B1 MET 185 HB2 -0.05 -0.00 -0.19 -0.04 2.15 1.86 1b35B1 MET 185 HB3 -0.12 -0.05 -0.01 -0.04 2.03 1.80 1b35B1 MET 185 HG2 -0.17 0.04 -0.43 -0.04 2.63 2.03 1b35B1 MET 185 HG3 -0.06 0.02 -0.06 -0.04 2.56 2.42 1b35B1 MET 185 HE3 0.02 0.04 -0.34 -0.04 2.10 1.78 1b35B1 ARG 186 H -0.07 0.21 0.13 -0.55 8.46 8.18 1b35B1 ARG 186 HA -0.12 0.19 0.86 -0.75 4.34 4.51 1b35B1 ARG 186 HB2 -0.05 -0.03 0.00 -0.04 1.90 1.79 1b35B1 ARG 186 HB3 -0.04 0.00 0.13 -0.04 1.80 1.85 1b35B1 ARG 186 HG2 -0.03 -0.02 -0.13 -0.04 1.67 1.45 1b35B1 ARG 186 HG3 -0.06 0.06 -0.06 -0.04 1.67 1.58 1b35B1 ARG 186 HD2 -0.02 -0.00 -0.09 -0.04 3.22 3.07 1b35B1 ARG 186 HD3 -0.02 -0.01 -0.05 -0.04 3.22 3.10 1b35B1 ILE 187 H -0.16 0.91 0.35 -0.55 8.25 8.80 1b35B1 ILE 187 HA -0.12 0.23 1.00 -0.75 4.18 4.54 1b35B1 ILE 187 HB -0.33 -0.08 0.07 -0.04 1.89 1.51 1b35B1 ILE 187 HG12 -0.60 0.07 -0.27 -0.04 1.49 0.66 1b35B1 ILE 187 HG13 -0.35 -0.08 -0.62 -0.04 1.21 0.13 1b35B1 ILE 187 HG23 -0.30 0.03 -0.14 -0.04 0.93 0.47 1b35B1 ILE 187 HD13 -0.88 -0.02 -0.21 -0.04 0.88 -0.27 1b35B1 PRO 188 HA 0.10 0.05 0.67 -0.51 4.44 4.75 1b35B1 PRO 188 HB2 0.03 0.09 -0.04 -0.04 2.28 2.31 1b35B1 PRO 188 HB3 0.03 0.01 0.05 -0.04 2.02 2.06 1b35B1 PRO 188 HG2 0.04 0.02 -0.00 -0.04 2.03 2.05 1b35B1 PRO 188 HG3 0.02 0.05 0.04 -0.04 2.03 2.10 1b35B1 PRO 188 HD2 0.01 0.09 0.25 -0.04 3.68 4.00 1b35B1 PRO 188 HD3 -0.00 0.19 0.15 -0.04 3.65 3.95 1b35B1 TYR 189 H 0.16 0.17 0.19 -0.55 8.29 8.25 1b35B1 TYR 189 HA -0.28 0.08 0.78 -0.75 4.56 4.38 1b35B1 TYR 189 HB2 -0.26 0.20 0.25 -0.04 3.06 3.20 1b35B1 TYR 189 HB3 -0.13 -0.04 0.28 -0.04 2.98 3.04 1b35B1 TYR 189 HD2 -1.10 -0.02 -0.03 -0.04 7.15 5.96 1b35B1 TYR 189 HE2 -0.15 0.07 -0.25 -0.04 6.85 6.47 1b35B1 VAL 190 H -0.41 0.29 0.21 -0.55 8.24 7.78 1b35B1 VAL 190 HA -0.27 0.16 0.92 -0.75 4.13 4.18 1b35B1 VAL 190 HB -0.11 0.01 0.13 -0.04 2.12 2.11 1b35B1 VAL 190 HG13 -0.16 -0.01 -0.15 -0.04 0.97 0.62 1b35B1 VAL 190 HG23 -0.06 -0.00 -0.24 -0.04 0.95 0.60 1b35B1 SER 191 H -0.28 0.32 0.07 -0.55 8.46 8.02 1b35B1 SER 191 HA -0.34 0.13 0.57 -0.75 4.49 4.10 1b35B1 SER 191 HB2 0.01 0.24 0.03 -0.04 3.95 4.19 1b35B1 SER 191 HB3 -0.28 0.13 -0.16 -0.04 3.93 3.57 1b35B1 PRO 192 HA -0.15 0.08 0.41 -0.51 4.44 4.27 1b35B1 PRO 192 HB2 -0.34 0.01 0.01 -0.04 2.28 1.93 1b35B1 PRO 192 HB3 -0.20 0.04 0.10 -0.04 2.02 1.91 1b35B1 PRO 192 HG2 -0.20 0.06 0.08 -0.04 2.03 1.93 1b35B1 PRO 192 HG3 -0.24 0.05 0.07 -0.04 2.03 1.87 1b35B1 PRO 192 HD2 -0.03 0.07 0.21 -0.04 3.68 3.90 1b35B1 PRO 192 HD3 -0.51 0.17 0.18 -0.04 3.65 3.45 1b35B1 HIS 193 H 0.09 0.04 -0.46 -0.55 8.41 7.54 1b35B1 HIS 193 HA 0.07 0.07 0.58 -0.75 4.63 4.60 1b35B1 HIS 193 HB2 0.22 -0.09 0.01 -0.04 3.26 3.36 1b35B1 HIS 193 HB3 0.15 0.27 0.00 -0.04 3.20 3.58 1b35B1 HIS 193 HD2 0.14 -0.05 -0.02 -0.04 6.97 6.99 1b35B1 HIS 193 HE1 0.02 0.03 -0.03 -0.04 7.75 7.73 1b35B1 LEU 194 H 0.10 0.20 0.11 -0.55 8.37 8.23 1b35B1 LEU 194 HA 0.06 0.08 0.28 -0.75 4.35 4.01 1b35B1 LEU 194 HB2 0.21 -0.05 0.03 -0.04 1.64 1.79 1b35B1 LEU 194 HB3 0.01 -0.00 0.05 -0.04 1.64 1.65 1b35B1 LEU 194 HG 0.06 -0.00 0.11 -0.04 1.64 1.77 1b35B1 LEU 194 HD13 0.05 -0.01 0.02 -0.04 0.93 0.95 1b35B1 LEU 194 HD23 -0.01 0.01 -0.01 -0.04 0.89 0.85 1b35B1 TYR 195 H 0.31 0.07 -0.40 -0.55 8.29 7.71 1b35B1 TYR 195 HA 0.02 0.25 0.76 -0.75 4.56 4.83 1b35B1 TYR 195 HB2 0.05 -0.05 -0.07 -0.04 3.06 2.95 1b35B1 TYR 195 HB3 0.02 -0.10 -0.09 -0.04 2.98 2.76 1b35B1 TYR 195 HD2 0.03 -0.08 -0.32 -0.04 7.15 6.73 1b35B1 TYR 195 HE2 0.03 0.06 -0.12 -0.04 6.85 6.78 1b35B1 TYR 196 H -0.05 0.69 0.28 -0.55 8.29 8.66 1b35B1 TYR 196 HA 0.14 0.13 0.61 -0.75 4.56 4.68 1b35B1 TYR 196 HB2 -0.11 -0.04 0.06 -0.04 3.06 2.93 1b35B1 TYR 196 HB3 -0.10 0.03 0.20 -0.04 2.98 3.06 1b35B1 TYR 196 HD2 0.12 -0.06 -0.28 -0.04 7.15 6.90 1b35B1 TYR 196 HE2 0.16 0.07 -0.36 -0.04 6.85 6.67 1b35B1 ASN 197 H -0.40 0.52 0.29 -0.55 8.53 8.39 1b35B1 ASN 197 HA -0.17 0.31 0.81 -0.75 4.76 4.95 1b35B1 ASN 197 HB2 -0.15 0.11 0.16 -0.04 2.88 2.96 1b35B1 ASN 197 HB3 -0.31 -0.22 0.32 -0.04 2.79 2.55 1b35B1 ASN 197 HD21 -0.05 0.03 0.02 -0.04 7.03 6.98 1b35B1 ASN 197 HD22 -0.05 0.04 0.03 -0.04 7.74 7.72 1b35B1 LEU 198 H -0.13 0.61 0.29 -0.55 8.37 8.59 1b35B1 LEU 198 HA -0.03 0.01 0.27 -0.75 4.35 3.84 1b35B1 LEU 198 HB2 0.07 0.19 -0.03 -0.04 1.64 1.82 1b35B1 LEU 198 HB3 0.13 -0.02 0.00 -0.04 1.64 1.72 1b35B1 LEU 198 HG 0.15 0.01 -0.11 -0.04 1.64 1.66 1b35B1 LEU 198 HD13 0.15 0.03 -0.37 -0.04 0.93 0.69 1b35B1 LEU 198 HD23 0.32 -0.02 -0.10 -0.04 0.89 1.05 1b35B1 ILE 199 H -0.10 0.04 -0.37 -0.55 8.25 7.27 1b35B1 ILE 199 HA 0.05 0.22 0.82 -0.75 4.18 4.51 1b35B1 ILE 199 HB -0.03 -0.07 0.03 -0.04 1.89 1.78 1b35B1 ILE 199 HG12 0.03 0.10 -0.34 -0.04 1.49 1.25 1b35B1 ILE 199 HG13 0.02 0.02 -0.09 -0.04 1.21 1.12 1b35B1 ILE 199 HG23 0.01 0.04 -0.09 -0.04 0.93 0.84 1b35B1 ILE 199 HD13 0.02 -0.01 -0.13 -0.04 0.88 0.72 1b35B1 THR 200 H -0.20 0.05 -0.01 -0.55 8.28 7.57 1b35B1 THR 200 HA -0.27 0.25 0.83 -0.75 4.39 4.45 1b35B1 THR 200 HB -0.21 -0.08 0.14 -0.04 4.32 4.13 1b35B1 THR 200 HG23 -0.18 0.01 -0.01 -0.04 1.22 1.00 1b35B1 GLY 201 H -0.37 0.53 0.03 -0.55 8.43 8.08 1b35B1 GLY 201 HA2 0.06 0.05 0.16 -0.51 4.01 3.77 1b35B1 GLY 201 HA3 -0.69 0.06 0.45 -0.51 4.01 3.32 1b35B1 GLN 202 H -0.33 0.01 -0.08 -0.55 8.47 7.52 1b35B1 GLN 202 HA -0.04 0.14 0.70 -0.75 4.36 4.41 1b35B1 GLN 202 HB2 -0.44 -0.11 0.16 -0.04 2.15 1.72 1b35B1 GLN 202 HB3 -1.16 0.01 0.00 -0.04 2.02 0.83 1b35B1 GLN 202 HG2 -0.07 0.21 0.01 -0.04 2.40 2.51 1b35B1 GLN 202 HG3 -0.18 0.02 -0.13 -0.04 2.39 2.06 1b35B1 GLN 202 HE21 0.08 -0.03 0.01 -0.04 6.97 6.98 1b35B1 GLN 202 HE22 0.09 0.09 0.01 -0.04 7.69 7.83 1b35B1 GLY 203 H 0.26 0.16 0.16 -0.55 8.43 8.46 1b35B1 GLY 203 HA2 0.41 -0.01 0.36 -0.51 4.01 4.26 1b35B1 GLY 203 HA3 0.43 0.17 0.87 -0.51 4.01 4.97 1b35B1 SER 204 H 0.36 0.27 0.16 -0.55 8.46 8.71 1b35B1 SER 204 HA 0.19 0.03 0.44 -0.75 4.49 4.39 1b35B1 SER 204 HB2 0.06 0.15 0.27 -0.04 3.95 4.39 1b35B1 SER 204 HB3 -0.06 -0.08 -0.42 -0.04 3.93 3.33 1b35B1 PHE 205 H 0.44 0.46 0.22 -0.55 8.34 8.91 1b35B1 PHE 205 HA 0.21 0.15 0.78 -0.75 4.62 5.01 1b35B1 PHE 205 HB2 0.25 -0.07 0.19 -0.04 3.15 3.48 1b35B1 PHE 205 HB3 0.21 0.05 0.05 -0.04 3.06 3.33 1b35B1 PHE 205 HD2 0.13 0.04 -0.24 -0.04 7.28 7.17 1b35B1 PHE 205 HE2 0.06 0.05 -0.13 -0.04 7.38 7.32 1b35B1 PHE 205 HZ 0.03 -0.00 -0.19 -0.04 7.32 7.11 1b35B1 GLY 206 H 0.47 0.28 0.35 -0.55 8.43 8.98 1b35B1 GLY 206 HA2 0.09 -0.17 0.53 -0.51 4.01 3.95 1b35B1 GLY 206 HA3 -0.02 0.24 0.60 -0.51 4.01 4.32 1b35B1 SER 207 H -0.16 0.53 0.38 -0.55 8.46 8.67 1b35B1 SER 207 HA 0.08 0.32 1.30 -0.75 4.49 5.44 1b35B1 SER 207 HB2 -0.20 0.00 0.06 -0.04 3.95 3.77 1b35B1 SER 207 HB3 -0.37 0.10 0.04 -0.04 3.93 3.66 1b35B1 ILE 208 H -0.07 0.34 0.37 -0.55 8.25 8.33 1b35B1 ILE 208 HA 0.03 0.35 1.10 -0.75 4.18 4.91 1b35B1 ILE 208 HB 0.06 0.06 0.04 -0.04 1.89 2.00 1b35B1 ILE 208 HG12 0.16 -0.02 0.11 -0.04 1.49 1.69 1b35B1 ILE 208 HG13 -0.01 -0.03 -0.31 -0.04 1.21 0.82 1b35B1 ILE 208 HG23 0.11 -0.00 -0.13 -0.04 0.93 0.86 1b35B1 ILE 208 HD13 0.26 0.00 -0.16 -0.04 0.88 0.94 1b35B1 TYR 209 H 0.11 0.62 0.30 -0.55 8.29 8.77 1b35B1 TYR 209 HA -0.03 0.27 0.95 -0.75 4.56 4.99 1b35B1 TYR 209 HB2 -0.05 -0.05 -0.01 -0.04 3.06 2.92 1b35B1 TYR 209 HB3 -0.05 0.04 -0.04 -0.04 2.98 2.89 1b35B1 TYR 209 HD2 -0.04 0.02 -0.24 -0.04 7.15 6.85 1b35B1 TYR 209 HE2 -0.07 -0.02 -0.15 -0.04 6.85 6.57 1b35B1 VAL 210 H 0.06 0.61 0.25 -0.55 8.24 8.60 1b35B1 VAL 210 HA -0.09 0.31 0.94 -0.75 4.13 4.54 1b35B1 VAL 210 HB -0.04 -0.10 0.10 -0.04 2.12 2.04 1b35B1 VAL 210 HG13 -0.59 0.00 -0.16 -0.04 0.97 0.19 1b35B1 VAL 210 HG23 0.03 0.00 -0.16 -0.04 0.95 0.78 1b35B1 VAL 211 H -0.17 0.66 0.31 -0.55 8.24 8.49 1b35B1 VAL 211 HA -0.14 0.22 1.04 -0.75 4.13 4.49 1b35B1 VAL 211 HB -0.14 -0.04 -0.11 -0.04 2.12 1.80 1b35B1 VAL 211 HG13 -0.08 0.05 -0.36 -0.04 0.97 0.54 1b35B1 VAL 211 HG23 -0.05 0.01 -0.42 -0.04 0.95 0.45 1b35B1 VAL 212 H -0.15 0.56 0.14 -0.55 8.24 8.24 1b35B1 VAL 212 HA -0.35 0.06 0.57 -0.75 4.13 3.66 1b35B1 VAL 212 HB 0.01 -0.08 0.20 -0.04 2.12 2.22 1b35B1 VAL 212 HG13 0.28 0.01 -0.37 -0.04 0.97 0.85 1b35B1 VAL 212 HG23 -0.25 0.04 -0.04 -0.04 0.95 0.66 1b35B1 TYR 213 H 0.07 0.36 0.40 -0.55 8.29 8.57 1b35B1 TYR 213 HA -0.01 0.05 0.44 -0.75 4.56 4.28 1b35B1 TYR 213 HB2 -0.03 -0.02 -0.13 -0.04 3.06 2.83 1b35B1 TYR 213 HB3 0.03 -0.01 -0.12 -0.04 2.98 2.83 1b35B1 TYR 213 HD2 0.01 -0.01 -0.03 -0.04 7.15 7.07 1b35B1 TYR 213 HE2 0.01 -0.01 -0.08 -0.04 6.85 6.73 1b35B1 SER 214 H 0.22 0.47 0.14 -0.55 8.46 8.74 1b35B1 SER 214 HA 0.10 0.11 0.67 -0.75 4.49 4.61 1b35B1 SER 214 HB2 -0.03 0.06 -0.17 -0.04 3.95 3.76 1b35B1 SER 214 HB3 0.10 -0.17 0.07 -0.04 3.93 3.89 1b35B1 GLN 215 H 0.11 0.10 0.07 -0.55 8.47 8.19 1b35B1 GLN 215 HA 0.21 0.06 0.29 -0.75 4.36 4.15 1b35B1 GLN 215 HB2 0.04 -0.10 0.12 -0.04 2.15 2.17 1b35B1 GLN 215 HB3 -0.09 -0.02 -0.02 -0.04 2.02 1.84 1b35B1 GLN 215 HG2 -0.19 0.22 -0.04 -0.04 2.40 2.35 1b35B1 GLN 215 HG3 0.02 0.23 0.06 -0.04 2.39 2.65 1b35B1 GLN 215 HE21 -0.05 -0.09 -0.01 -0.04 6.97 6.78 1b35B1 GLN 215 HE22 -0.27 0.25 0.02 -0.04 7.69 7.66 1b35B1 LEU 216 H 0.05 0.18 0.17 -0.55 8.37 8.22 1b35B1 LEU 216 HA -0.23 0.30 0.84 -0.75 4.35 4.50 1b35B1 LEU 216 HB2 -1.36 -0.05 -0.00 -0.04 1.64 0.19 1b35B1 LEU 216 HB3 -0.49 0.06 0.06 -0.04 1.64 1.23 1b35B1 LEU 216 HG -0.34 -0.05 -0.48 -0.04 1.64 0.73 1b35B1 LEU 216 HD13 -0.54 0.03 -0.13 -0.04 0.93 0.25 1b35B1 LEU 216 HD23 -0.69 -0.04 -0.27 -0.04 0.89 -0.14 1b35B1 HIS 217 H -0.05 0.53 0.34 -0.55 8.41 8.68 1b35B1 HIS 217 HA -0.05 0.21 0.89 -0.75 4.63 4.92 1b35B1 HIS 217 HB2 -0.03 -0.10 0.23 -0.04 3.26 3.32 1b35B1 HIS 217 HB3 -0.02 0.16 0.04 -0.04 3.20 3.34 1b35B1 HIS 217 HD2 0.01 0.02 -0.12 -0.04 6.97 6.83 1b35B1 HIS 217 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.66 1b35B1 ASP 218 H -0.01 0.30 -0.02 -0.55 8.40 8.13 1b35B1 ASP 218 HA -0.02 0.07 0.60 -0.75 4.63 4.52 1b35B1 ASP 218 HB2 -0.06 0.11 -0.09 -0.04 2.71 2.63 1b35B1 ASP 218 HB3 -0.02 0.07 0.01 -0.04 2.70 2.71 1b35B1 GLN 219 H 0.04 0.42 0.03 -0.55 8.47 8.41 1b35B1 GLN 219 HA 0.04 0.27 0.37 -0.75 4.36 4.28 1b35B1 GLN 219 HB2 0.01 0.10 0.15 -0.04 2.15 2.36 1b35B1 GLN 219 HB3 -0.02 -0.11 0.24 -0.04 2.02 2.09 1b35B1 GLN 219 HG2 0.13 0.24 -0.06 -0.04 2.40 2.67 1b35B1 GLN 219 HG3 0.06 -0.10 -0.32 -0.04 2.39 1.99 1b35B1 GLN 219 HE21 -0.11 0.00 0.01 -0.04 6.97 6.84 1b35B1 GLN 219 HE22 -0.11 0.01 0.06 -0.04 7.69 7.61 1b35B1 VAL 220 H -0.03 0.07 0.18 -0.55 8.24 7.92 1b35B1 VAL 220 HA -0.02 0.19 0.56 -0.75 4.13 4.11 1b35B1 VAL 220 HB -0.04 0.01 0.09 -0.04 2.12 2.14 1b35B1 VAL 220 HG13 -0.04 -0.02 0.10 -0.04 0.97 0.97 1b35B1 VAL 220 HG23 -0.02 0.01 -0.10 -0.04 0.95 0.80 1b35B1 SER 221 H -0.00 -0.01 0.01 -0.55 8.46 7.91 1b35B1 SER 221 HA 0.02 0.23 0.58 -0.75 4.49 4.56 1b35B1 SER 221 HB2 0.00 0.01 0.18 -0.04 3.95 4.10 1b35B1 SER 221 HB3 -0.00 0.08 -0.19 -0.04 3.93 3.78 1b35B1 GLY 222 H 0.01 0.33 0.06 -0.55 8.43 8.28 1b35B1 GLY 222 HA2 -0.00 0.06 0.57 -0.51 4.01 4.14 1b35B1 GLY 222 HA3 -0.00 0.03 0.41 -0.51 4.01 3.94 1b35B1 THR 223 H -0.00 0.09 0.18 -0.55 8.28 8.00 1b35B1 THR 223 HA -0.01 0.27 0.89 -0.75 4.39 4.79 1b35B1 THR 223 HB 0.00 -0.02 0.19 -0.04 4.32 4.46 1b35B1 THR 223 HG23 0.00 0.04 -0.12 -0.04 1.22 1.10 1b35B1 GLY 224 H -0.02 0.00 -0.03 -0.55 8.43 7.84 1b35B1 GLY 224 HA2 -0.01 0.11 0.44 -0.51 4.01 4.04 1b35B1 GLY 224 HA3 -0.02 0.03 0.36 -0.51 4.01 3.87 1b35B1 SER 225 H -0.02 0.22 0.23 -0.55 8.46 8.34 1b35B1 SER 225 HA -0.07 0.23 0.94 -0.75 4.49 4.84 1b35B1 SER 225 HB2 0.01 -0.02 -0.03 -0.04 3.95 3.86 1b35B1 SER 225 HB3 0.04 0.05 -0.08 -0.04 3.93 3.90 1b35B1 ILE 226 H -0.01 0.52 0.31 -0.55 8.25 8.52 1b35B1 ILE 226 HA 0.00 0.18 0.92 -0.75 4.18 4.53 1b35B1 ILE 226 HB 0.02 0.29 0.19 -0.04 1.89 2.35 1b35B1 ILE 226 HG12 -0.15 0.05 0.02 -0.04 1.49 1.36 1b35B1 ILE 226 HG13 0.21 0.01 -0.37 -0.04 1.21 1.02 1b35B1 ILE 226 HG23 -0.11 -0.02 -0.16 -0.04 0.93 0.60 1b35B1 ILE 226 HD13 -0.11 -0.02 -0.20 -0.04 0.88 0.51 1b35B1 GLU 227 H 0.06 0.24 0.25 -0.55 8.60 8.60 1b35B1 GLU 227 HA 0.04 0.30 1.21 -0.75 4.29 5.08 1b35B1 GLU 227 HB2 0.02 -0.03 0.08 -0.04 2.09 2.12 1b35B1 GLU 227 HB3 -0.03 0.05 -0.02 -0.04 1.99 1.94 1b35B1 GLU 227 HG2 -0.03 0.01 -0.23 -0.04 2.34 2.05 1b35B1 GLU 227 HG3 -0.01 -0.02 -0.11 -0.04 2.34 2.15 1b35B1 TYR 228 H -0.24 0.57 0.36 -0.55 8.29 8.44 1b35B1 TYR 228 HA 0.08 0.36 0.95 -0.75 4.56 5.19 1b35B1 TYR 228 HB2 0.07 0.04 -0.09 -0.04 3.06 3.03 1b35B1 TYR 228 HB3 0.16 -0.03 -0.24 -0.04 2.98 2.82 1b35B1 TYR 228 HD2 0.07 0.01 -0.39 -0.04 7.15 6.80 1b35B1 TYR 228 HE2 -0.08 0.04 -0.31 -0.04 6.85 6.46 1b35B1 THR 229 H 0.19 0.67 0.38 -0.55 8.28 8.97 1b35B1 THR 229 HA -0.14 0.22 1.22 -0.75 4.39 4.93 1b35B1 THR 229 HB 0.10 -0.03 0.11 -0.04 4.32 4.46 1b35B1 THR 229 HG23 -0.63 -0.00 -0.18 -0.04 1.22 0.37 1b35B1 VAL 230 H -0.17 0.82 0.40 -0.55 8.24 8.75 1b35B1 VAL 230 HA 0.12 0.29 1.09 -0.75 4.13 4.88 1b35B1 VAL 230 HB -0.06 -0.10 0.19 -0.04 2.12 2.10 1b35B1 VAL 230 HG13 0.17 0.00 -0.16 -0.04 0.97 0.95 1b35B1 VAL 230 HG23 0.11 -0.00 -0.15 -0.04 0.95 0.86 1b35B1 TRP 231 H 0.33 0.83 0.45 -0.55 7.97 9.03 1b35B1 TRP 231 HA 0.04 0.27 1.07 -0.75 4.62 5.23 1b35B1 TRP 231 HB2 0.05 -0.06 0.07 -0.04 3.23 3.25 1b35B1 TRP 231 HB3 0.07 0.01 0.02 -0.04 3.23 3.29 1b35B1 TRP 231 HD1 0.03 0.05 -0.15 -0.04 7.22 7.11 1b35B1 TRP 231 HE1 0.02 -0.01 -0.10 -0.04 10.20 10.06 1b35B1 TRP 231 HE3 0.03 -0.00 -0.37 -0.04 7.59 7.21 1b35B1 TRP 231 HZ2 -0.00 -0.01 -0.08 -0.04 7.44 7.31 1b35B1 TRP 231 HZ3 -0.00 0.15 -0.23 -0.04 7.13 7.01 1b35B1 TRP 231 HH2 -0.01 0.00 -0.08 -0.04 7.19 7.07 1b35B1 ALA 232 H 0.35 0.40 0.39 -0.55 8.40 8.99 1b35B1 ALA 232 HA 0.09 0.38 0.86 -0.75 4.34 4.91 1b35B1 ALA 232 HB3 0.16 -0.01 -0.05 -0.04 1.41 1.46 1b35B1 HIS 233 H -0.12 0.49 0.36 -0.55 8.41 8.60 1b35B1 HIS 233 HA 0.25 0.17 0.38 -0.75 4.63 4.67 1b35B1 HIS 233 HB2 0.13 0.13 -0.33 -0.04 3.26 3.16 1b35B1 HIS 233 HB3 0.14 -0.06 -0.35 -0.04 3.20 2.88 1b35B1 HIS 233 HD2 0.03 0.26 -0.28 -0.04 6.97 6.93 1b35B1 HIS 233 HE1 -0.03 -0.06 -0.14 -0.04 7.75 7.48 1b35B1 LEU 234 H 0.23 0.47 0.28 -0.55 8.37 8.80 1b35B1 LEU 234 HA -0.02 0.23 1.11 -0.75 4.35 4.92 1b35B1 LEU 234 HB2 0.04 0.15 0.04 -0.04 1.64 1.82 1b35B1 LEU 234 HB3 0.06 -0.04 0.01 -0.04 1.64 1.62 1b35B1 LEU 234 HG 0.18 -0.02 -0.14 -0.04 1.64 1.62 1b35B1 LEU 234 HD13 0.07 -0.02 -0.11 -0.04 0.93 0.83 1b35B1 LEU 234 HD23 -0.02 -0.00 -0.20 -0.04 0.89 0.62 1b35B1 GLU 235 H 0.03 0.65 0.35 -0.55 8.60 9.10 1b35B1 GLU 235 HA 0.08 0.15 0.82 -0.75 4.29 4.58 1b35B1 GLU 235 HB2 0.03 0.01 -0.02 -0.04 2.09 2.07 1b35B1 GLU 235 HB3 0.05 -0.05 0.06 -0.04 1.99 2.00 1b35B1 GLU 235 HG2 0.19 0.12 -0.07 -0.04 2.34 2.54 1b35B1 GLU 235 HG3 0.08 0.01 -0.43 -0.04 2.34 1.96 1b35B1 ASP 236 H 0.04 0.16 0.14 -0.55 8.40 8.20 1b35B1 ASP 236 HA 0.03 0.04 0.33 -0.75 4.63 4.28 1b35B1 ASP 236 HB2 0.03 0.04 -0.10 -0.04 2.71 2.64 1b35B1 ASP 236 HB3 0.03 0.04 0.21 -0.04 2.70 2.94 1b35B1 VAL 237 H 0.03 -0.01 -0.29 -0.55 8.24 7.42 1b35B1 VAL 237 HA 0.02 0.11 0.36 -0.75 4.13 3.87 1b35B1 VAL 237 HB 0.00 -0.09 0.01 -0.04 2.12 2.00 1b35B1 VAL 237 HG13 -0.04 -0.01 -0.17 -0.04 0.97 0.71 1b35B1 VAL 237 HG23 0.01 0.01 -0.24 -0.04 0.95 0.70 1b35B1 ASP 238 H 0.02 0.34 0.20 -0.55 8.40 8.41 1b35B1 ASP 238 HA 0.04 0.06 0.76 -0.75 4.63 4.73 1b35B1 ASP 238 HB2 0.06 0.08 -0.15 -0.04 2.71 2.66 1b35B1 ASP 238 HB3 0.07 0.08 0.21 -0.04 2.70 3.02 1b35B1 VAL 239 H -0.07 0.13 0.09 -0.55 8.24 7.84 1b35B1 VAL 239 HA -0.02 0.27 1.03 -0.75 4.13 4.66 1b35B1 VAL 239 HB -0.67 0.11 0.04 -0.04 2.12 1.56 1b35B1 VAL 239 HG13 -0.21 -0.02 -0.09 -0.04 0.97 0.61 1b35B1 VAL 239 HG23 -0.72 -0.01 -0.06 -0.04 0.95 0.12 1b35B1 GLN 240 H 0.03 0.68 0.37 -0.55 8.47 9.01 1b35B1 GLN 240 HA 0.16 0.18 1.10 -0.75 4.36 5.05 1b35B1 GLN 240 HB2 -0.40 -0.03 -0.00 -0.04 2.15 1.67 1b35B1 GLN 240 HB3 -0.09 -0.01 -0.03 -0.04 2.02 1.84 1b35B1 GLN 240 HG2 0.04 -0.01 -0.70 -0.04 2.40 1.69 1b35B1 GLN 240 HG3 -0.29 -0.00 -0.16 -0.04 2.39 1.89 1b35B1 GLN 240 HE21 0.07 -0.05 0.00 -0.04 6.97 6.96 1b35B1 GLN 240 HE22 0.09 -0.02 -0.14 -0.04 7.69 7.59 1b35B1 TYR 241 H 0.18 0.11 0.16 -0.55 8.29 8.19 1b35B1 TYR 241 HA 0.00 0.07 0.49 -0.75 4.56 4.36 1b35B1 TYR 241 HB2 -0.06 -0.09 -0.19 -0.04 3.06 2.68 1b35B1 TYR 241 HB3 -0.03 0.02 0.05 -0.04 2.98 2.98 1b35B1 TYR 241 HD2 -0.03 0.02 -0.01 -0.04 7.15 7.09 1b35B1 TYR 241 HE2 -0.03 -0.01 0.03 -0.04 6.85 6.80 1b35B1 PRO 242 HA -0.27 0.54 0.69 -0.51 4.44 4.89 1b35B1 PRO 242 HB2 -0.28 -0.02 0.01 -0.04 2.28 1.96 1b35B1 PRO 242 HB3 -0.27 0.06 0.13 -0.04 2.02 1.90 1b35B1 PRO 242 HG2 -0.37 0.02 0.09 -0.04 2.03 1.73 1b35B1 PRO 242 HG3 -0.32 0.03 0.07 -0.04 2.03 1.78 1b35B1 PRO 242 HD2 -1.42 0.11 0.22 -0.04 3.68 2.55 1b35B1 PRO 242 HD3 -0.63 -0.00 0.27 -0.04 3.65 3.25 1b35B1 THR 243 H -0.13 0.50 0.19 -0.55 8.28 8.30 1b35B1 THR 243 HA -0.02 0.03 0.45 -0.75 4.39 4.10 1b35B1 THR 243 HB 0.06 0.15 -0.11 -0.04 4.32 4.38 1b35B1 THR 243 HG23 0.02 0.03 -0.39 -0.04 1.22 0.83 1b35B1 GLY 244 H -0.02 0.13 0.14 -0.55 8.43 8.13 1b35B1 GLY 244 HA2 -0.03 0.19 0.71 -0.51 4.01 4.36 1b35B1 GLY 244 HA3 -0.02 -0.01 0.33 -0.51 4.01 3.81 1b35B1 ALA 245 H -0.00 -0.06 -0.18 -0.55 8.40 7.60 1b35B1 ALA 245 HA 0.00 0.04 0.43 -0.75 4.34 4.07 1b35B1 ALA 245 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 1b35B1 ASN 246 H 0.01 0.08 0.15 -0.55 8.53 8.22 1b35B1 ASN 246 HA 0.02 0.12 0.71 -0.75 4.76 4.85 1b35B1 ASN 246 HB2 0.01 -0.02 0.09 -0.04 2.88 2.92 1b35B1 ASN 246 HB3 0.01 0.06 0.05 -0.04 2.79 2.86 1b35B1 ASN 246 HD21 0.00 0.00 0.01 -0.04 7.03 7.01 1b35B1 ASN 246 HD22 0.00 -0.02 0.04 -0.04 7.74 7.73 1b35B1 ILE 247 H 0.04 0.07 0.12 -0.55 8.25 7.93 1b35B1 ILE 247 HA 0.07 0.13 0.37 -0.75 4.18 4.00 1b35B1 ILE 247 HB 0.08 -0.03 0.05 -0.04 1.89 1.95 1b35B1 ILE 247 HG12 0.11 0.10 -0.12 -0.04 1.49 1.54 1b35B1 ILE 247 HG13 0.13 0.09 0.07 -0.04 1.21 1.45 1b35B1 ILE 247 HG23 0.04 -0.02 -0.11 -0.04 0.93 0.81 1b35B1 ILE 247 HD13 0.14 -0.02 -0.11 -0.04 0.88 0.86 1b35B1 PHE 248 H 0.16 0.66 0.34 -0.55 8.34 8.94 1b35B1 PHE 248 HA -0.13 0.08 0.64 -0.75 4.62 4.45 1b35B1 PHE 248 HB2 -0.11 0.25 -0.18 -0.04 3.15 3.08 1b35B1 PHE 248 HB3 -0.14 -0.05 -0.07 -0.04 3.06 2.76 1b35B1 PHE 248 HD2 -0.39 0.06 -0.15 -0.04 7.28 6.76 1b35B1 PHE 248 HE2 -0.13 -0.01 -0.11 -0.04 7.38 7.09 1b35B1 PHE 248 HZ -0.06 -0.04 -0.27 -0.04 7.32 6.90 1b35B1 THR 249 H -0.77 0.22 0.11 -0.55 8.28 7.29 1b35B1 THR 249 HA -0.51 0.19 0.79 -0.75 4.39 4.11 1b35B1 THR 249 HB -0.15 -0.06 0.11 -0.04 4.32 4.18 1b35B1 THR 249 HG23 -0.06 0.02 -0.31 -0.04 1.22 0.83 1b35B1 GLY 250 H -2.56 0.05 -0.09 -0.55 8.43 5.29 1b35B1 GLY 250 HA2 -0.40 0.00 0.24 -0.51 4.01 3.34 1b35B1 GLY 250 HA3 -0.16 0.18 0.69 -0.51 4.01 4.21 1b35B1 ASN 251 H -0.01 0.04 0.17 -0.55 8.53 8.19 1b35B1 ASN 251 HA -0.08 0.23 0.65 -0.75 4.76 4.81 1b35B1 ASN 251 HB2 0.05 -0.02 0.11 -0.04 2.88 2.98 1b35B1 ASN 251 HB3 0.01 0.02 0.10 -0.04 2.79 2.88 1b35B1 ASN 251 HD21 0.22 0.05 0.04 -0.04 7.03 7.30 1b35B1 ASN 251 HD22 0.15 -0.02 0.01 -0.04 7.74 7.84 1b35B1 GLU 252 HA 0.06 -0.08 0.12 -0.75 4.29 3.64 1b35B1 GLU 252 HB2 -0.20 0.05 -0.08 -0.04 2.09 1.82 1b35B1 GLU 252 HB3 -0.13 -0.01 -0.04 -0.04 1.99 1.77 1b35B1 GLU 252 HG2 -0.02 -0.03 0.03 -0.04 2.34 2.28 1b35B1 GLU 252 HG3 -0.02 -0.04 -0.24 -0.04 2.34 1.99 1b35B1 ALA 253 H -0.03 0.47 -0.01 -0.55 8.40 8.28 1b35B1 ALA 253 HA -0.23 0.08 0.51 -0.75 4.34 3.95 1b35B1 ALA 253 HB3 -1.36 0.03 -0.07 -0.04 1.41 -0.03 1b35B1 TYR 254 H 0.15 0.22 -0.06 -0.55 8.29 8.05 1b35B1 TYR 254 HA 0.04 0.15 0.72 -0.75 4.56 4.71 1b35B1 TYR 254 HB2 0.30 0.10 -0.07 -0.04 3.06 3.35 1b35B1 TYR 254 HB3 0.43 -0.06 0.02 -0.04 2.98 3.34 1b35B1 TYR 254 HD2 0.19 -0.06 -0.22 -0.04 7.15 7.01 1b35B1 TYR 254 HE2 0.04 0.12 -0.31 -0.04 6.85 6.66 1b35B1 ILE 255 H -0.17 0.27 -0.13 -0.55 8.25 7.67 1b35B1 ILE 255 HA -0.04 0.07 0.90 -0.75 4.18 4.36 1b35B1 ILE 255 HB -0.13 -0.01 0.10 -0.04 1.89 1.81 1b35B1 ILE 255 HG12 -0.05 0.01 -0.11 -0.04 1.49 1.31 1b35B1 ILE 255 HG13 -0.11 -0.07 -0.30 -0.04 1.21 0.69 1b35B1 ILE 255 HG23 -0.07 0.00 -0.11 -0.04 0.93 0.71 1b35B1 ILE 255 HD13 -0.08 0.03 0.02 -0.04 0.88 0.81 1b35B1 LYS 256 H -0.06 0.00 0.15 -0.55 8.42 7.95 1b35B1 LYS 256 HA -0.11 0.04 0.31 -0.75 4.32 3.81 1b35B1 LYS 256 HB2 -0.30 0.25 -0.02 -0.04 1.87 1.76 1b35B1 LYS 256 HB3 -0.23 0.00 0.13 -0.04 1.79 1.65 1b35B1 LYS 256 HG2 -0.15 -0.00 0.11 -0.04 1.46 1.38 1b35B1 LYS 256 HG3 -0.16 0.01 0.12 -0.04 1.46 1.39 1b35B1 LYS 256 HD2 -0.25 0.04 0.20 -0.04 1.69 1.64 1b35B1 LYS 256 HD3 -0.25 -0.01 0.09 -0.04 1.68 1.47 1b35B1 LYS 256 HE2 -0.21 0.10 0.08 -0.04 2.99 2.92 1b35B1 LYS 256 HE3 -0.28 -0.53 0.29 -0.04 2.99 2.42 1b35B1 GLY 257 H -0.02 0.05 0.20 -0.55 8.43 8.11 1b35B1 GLY 257 HA2 0.13 0.06 0.40 -0.51 4.01 4.09 1b35B1 GLY 257 HA3 0.01 -0.00 0.41 -0.51 4.01 3.92 1b35B1 THR 258 H -0.06 -0.07 -0.52 -0.55 8.28 7.07 1b35B1 THR 258 HA -0.13 -0.02 0.35 -0.75 4.39 3.84 1b35B1 THR 258 HB -0.11 0.49 -0.03 -0.04 4.32 4.62 1b35B1 THR 258 HG23 -0.52 -0.19 -0.02 -0.04 1.22 0.45 1b35B1 SER 259 H -0.26 0.15 0.12 -0.55 8.46 7.93 1b35B1 SER 259 HA -0.06 0.15 0.38 -0.75 4.49 4.21 1b35B1 SER 259 HB2 0.11 -0.05 0.11 -0.04 3.95 4.08 1b35B1 SER 259 HB3 0.08 0.07 0.19 -0.04 3.93 4.23 1b35B1 ARG 260 H -0.25 0.22 -1.00 -0.55 8.46 6.87 1b35B1 ARG 260 HA -0.17 0.07 0.26 -0.75 4.34 3.74 1b35B1 ARG 260 HB2 -0.09 0.12 -0.16 -0.04 1.90 1.74 1b35B1 ARG 260 HB3 -0.05 0.14 -0.03 -0.04 1.80 1.82 1b35B1 ARG 260 HG2 -0.06 -0.09 0.14 -0.04 1.67 1.62 1b35B1 ARG 260 HG3 -0.10 0.04 0.06 -0.04 1.67 1.63 1b35B1 ARG 260 HD2 -0.05 0.07 -0.02 -0.04 3.22 3.18 1b35B1 ARG 260 HD3 -0.03 -0.03 -0.01 -0.04 3.22 3.10 1b35B1 TYR 261 H -0.35 -0.02 -0.81 -0.55 8.29 6.56 1b35B1 TYR 261 HA -0.02 0.15 0.32 -0.75 4.56 4.25 1b35B1 TYR 261 HB2 -0.01 0.05 0.05 -0.04 3.06 3.11 1b35B1 TYR 261 HB3 -0.01 0.05 0.02 -0.04 2.98 3.00 1b35B1 TYR 261 HD2 -0.01 0.07 -0.31 -0.04 7.15 6.85 1b35B1 TYR 261 HE2 -0.01 0.03 -0.01 -0.04 6.85 6.82 1b35B1 ASP 262 H -0.19 -0.02 -0.53 -0.55 8.40 7.11 1b35B1 ASP 262 HA 0.15 0.16 0.46 -0.75 4.63 4.64 1b35B1 ASP 262 HB2 -0.10 -0.01 -0.04 -0.04 2.71 2.52 1b35B1 ASP 262 HB3 0.00 0.06 -0.08 -0.04 2.70 2.64 1b35B1 ALA 263 H -0.06 0.15 -0.34 -0.55 8.40 7.61 1b35B1 ALA 263 HA -0.03 0.05 0.35 -0.75 4.34 3.95 1b35B1 ALA 263 HB3 -0.07 0.05 0.15 -0.04 1.41 1.50 1b35B1 ALA 264 H 0.04 0.32 -1.85 -0.55 8.40 6.35 1b35B1 ALA 264 HA 0.01 0.03 0.74 -0.75 4.34 4.37 1b35B1 ALA 264 HB3 0.04 0.08 0.01 -0.04 1.41 1.50 1b35B1 GLN 265 H 0.01 0.15 -0.06 -0.55 8.47 8.03 1b35B1 GLN 265 HA 0.03 0.19 0.57 -0.75 4.36 4.39 1b35B1 GLN 265 HB2 0.02 -0.11 0.03 -0.04 2.15 2.05 1b35B1 GLN 265 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 1b35B1 GLN 265 HG2 0.02 0.13 0.01 -0.04 2.40 2.52 1b35B1 GLN 265 HG3 0.01 -0.02 0.01 -0.04 2.39 2.34 1b35B1 GLN 265 HE21 0.02 -0.01 -0.00 -0.04 6.97 6.93 1b35B1 GLN 265 HE22 0.02 0.05 -0.01 -0.04 7.69 7.70 1b35B1 LYS 266 H 0.02 0.04 -0.15 -0.55 8.42 7.78 1b35B1 LYS 266 HA 0.04 -0.05 0.23 -0.75 4.32 3.78 1b35B1 LYS 266 HB2 0.02 0.20 -0.30 -0.04 1.87 1.75 1b35B1 LYS 266 HB3 0.03 -0.05 0.09 -0.04 1.79 1.81 1b35B1 LYS 266 HG2 0.02 -0.05 -0.03 -0.04 1.46 1.36 1b35B1 LYS 266 HG3 0.02 -0.08 -0.23 -0.04 1.46 1.13 1b35B1 LYS 266 HD2 0.02 -0.00 -0.05 -0.04 1.69 1.61 1b35B1 LYS 266 HD3 0.02 0.15 -0.15 -0.04 1.68 1.66 1b35B1 LYS 266 HE2 0.02 0.01 -0.05 -0.04 2.99 2.92 1b35B1 LYS 266 HE3 0.01 -0.06 -0.03 -0.04 2.99 2.87 1b35B1 ALA 267 H 0.04 -0.02 -0.72 -0.55 8.40 7.16 1b35B1 ALA 267 HA 0.03 0.18 0.57 -0.75 4.34 4.37 1b35B1 ALA 267 HB3 0.03 0.01 0.09 -0.04 1.41 1.50 1b35B1 HIS 268 H 0.10 0.35 -0.80 -0.55 8.41 7.52 1b35B1 HIS 268 HA 0.00 0.13 0.63 -0.75 4.63 4.65 1b35B1 HIS 268 HB2 0.00 0.07 -0.23 -0.04 3.26 3.07 1b35B1 HIS 268 HB3 0.00 -0.19 -0.03 -0.04 3.20 2.94 1b35B1 HIS 268 HD2 0.00 0.02 -0.01 -0.04 6.97 6.93 1b35B1 HIS 268 HE1 0.00 -0.03 -0.07 -0.04 7.75 7.61 1b35B1 ALA 269 H 0.26 -0.03 0.01 -0.55 8.40 8.08 1b35B1 ALA 269 HA 0.11 0.13 0.41 -0.75 4.34 4.24 1b35B1 ALA 269 HB3 0.11 -0.04 0.14 -0.04 1.41 1.58 1b35B1 ALA 270 H 0.04 0.00 0.05 -0.55 8.40 7.95 1b35B1 ALA 270 HA 0.02 0.01 0.20 -0.75 4.34 3.82 1b35B1 ALA 270 HB3 0.02 0.08 -0.05 -0.04 1.41 1.42