============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 18 1.000 68.705 51.502 14.683 -99.200 -91.000 TRP 29 1.040 60.381 58.063 17.881 -99.200 -91.000 TRP6 29 1.020 62.392 58.196 16.665 -99.200 -91.000 TRP 39 1.040 63.934 34.458 25.608 -99.200 -91.000 TRP6 39 1.020 64.543 35.206 23.456 -99.200 -91.000 TYR 52 0.840 72.323 29.275 20.581 -99.200 -91.000 TRP 58 1.040 67.198 20.808 25.491 -99.200 -91.000 TRP6 58 1.020 65.285 20.347 26.810 -99.200 -91.000 PHE 60 1.000 57.549 22.405 19.905 -99.200 -91.000 PHE 62 1.000 65.533 30.008 22.350 -99.200 -91.000 TYR 65 0.840 60.034 30.811 27.811 -99.200 -91.000 PHE 91 1.000 61.565 52.865 16.523 -99.200 -91.000 PHE 92 1.000 56.207 45.464 18.201 -99.200 -91.000 TYR 97 0.840 54.880 39.243 10.926 -99.200 -91.000 TYR 101 0.840 56.746 33.066 7.879 -99.200 -91.000 PHE 103 1.000 66.775 34.173 14.587 -99.200 -91.000 TYR 108 0.840 61.043 21.440 8.544 -99.200 -91.000 TRP 118 1.040 58.157 23.557 9.665 -99.200 -91.000 TRP6 118 1.020 58.537 25.737 10.505 -99.200 -91.000 TYR 121 0.840 57.504 28.058 15.634 -99.200 -91.000 TRP 124 1.040 52.014 28.370 20.248 -99.200 -91.000 TRP6 124 1.020 53.881 29.775 19.799 -99.200 -91.000 HIS 125 0.900 54.266 32.473 14.036 -99.200 -91.000 TRP 127 1.040 44.465 29.483 18.479 -99.200 -91.000 TRP6 127 1.020 44.996 30.245 20.647 -99.200 -91.000 PHE 132 1.000 46.841 36.777 21.803 -99.200 -91.000 TYR 143 0.840 68.577 43.051 6.406 -99.200 -91.000 HIS 153 0.900 85.678 41.378 15.905 -99.200 -91.000 TYR 156 0.840 86.705 38.035 21.004 -99.200 -91.000 TYR 170 0.840 72.163 29.080 14.142 -99.200 -91.000 HIS 175 0.900 74.024 37.945 4.999 -99.200 -91.000 TYR 176 0.840 73.873 33.622 1.623 -99.200 -91.000 HIS 178 0.900 67.782 37.995 9.402 -99.200 -91.000 TRP 181 1.040 60.871 38.947 5.567 -99.200 -91.000 TRP6 181 1.020 61.281 39.602 7.797 -99.200 -91.000 HIS 184 0.900 68.400 39.094 -2.938 -99.200 -91.000 PHE 191 1.000 51.496 36.064 9.128 -99.200 -91.000 TYR 193 0.840 51.322 42.964 7.645 -99.200 -91.000 PHE 208 1.000 75.323 52.882 16.642 -99.200 -91.000 TYR 212 0.840 74.259 58.997 17.041 -99.200 -91.000 PHE 222 1.000 61.431 53.155 7.198 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hp1A1 ARG 20 HA -0.03 -0.04 0.15 -0.75 4.34 3.67 3hp1A1 ILE 21 H -0.03 0.15 0.07 -0.55 8.25 7.89 3hp1A1 ILE 21 HA -0.05 0.16 0.67 -0.75 4.18 4.21 3hp1A1 ILE 21 HB -0.04 -0.02 0.09 -0.04 1.89 1.89 3hp1A1 ILE 21 HG12 -0.01 0.01 -0.03 -0.04 1.49 1.42 3hp1A1 ILE 21 HG13 -0.01 -0.05 0.04 -0.04 1.21 1.14 3hp1A1 ILE 21 HG23 -0.08 -0.00 -0.30 -0.04 0.93 0.50 3hp1A1 ILE 21 HD13 0.00 -0.01 -0.02 -0.04 0.88 0.81 3hp1A1 LYS 22 H -0.10 0.48 0.29 -0.55 8.42 8.54 3hp1A1 LYS 22 HA -0.13 0.07 0.71 -0.75 4.32 4.22 3hp1A1 LYS 22 HB2 -0.18 0.03 0.20 -0.04 1.87 1.87 3hp1A1 LYS 22 HB3 -0.21 -0.08 -0.04 -0.04 1.79 1.42 3hp1A1 LYS 22 HG2 -0.10 0.01 0.02 -0.04 1.46 1.35 3hp1A1 LYS 22 HG3 -0.09 0.06 0.04 -0.04 1.46 1.43 3hp1A1 LYS 22 HD2 -0.17 -0.12 -0.03 -0.04 1.69 1.33 3hp1A1 LYS 22 HD3 -0.12 0.04 0.01 -0.04 1.68 1.56 3hp1A1 LYS 22 HE2 -0.07 0.18 0.01 -0.04 2.99 3.06 3hp1A1 LYS 22 HE3 -0.06 -0.06 -0.02 -0.04 2.99 2.80 3hp1A1 LYS 23 H -0.17 0.17 0.23 -0.55 8.42 8.09 3hp1A1 LYS 23 HA -0.47 0.31 1.01 -0.75 4.32 4.42 3hp1A1 LYS 23 HB2 -0.18 0.03 0.15 -0.04 1.87 1.82 3hp1A1 LYS 23 HB3 -0.69 -0.06 -0.01 -0.04 1.79 0.99 3hp1A1 LYS 23 HG2 -0.27 -0.05 -0.12 -0.04 1.46 0.98 3hp1A1 LYS 23 HG3 -0.17 0.08 -0.39 -0.04 1.46 0.94 3hp1A1 LYS 23 HD2 -0.02 0.14 -0.21 -0.04 1.69 1.56 3hp1A1 LYS 23 HD3 0.06 -0.02 -0.02 -0.04 1.68 1.66 3hp1A1 LYS 23 HE2 -0.02 -0.07 0.03 -0.04 2.99 2.89 3hp1A1 LYS 23 HE3 -0.06 0.12 0.04 -0.04 2.99 3.05 3hp1A1 ILE 24 H -0.48 0.76 0.37 -0.55 8.25 8.35 3hp1A1 ILE 24 HA -0.05 0.27 1.05 -0.75 4.18 4.70 3hp1A1 ILE 24 HB -0.25 -0.06 -0.02 -0.04 1.89 1.52 3hp1A1 ILE 24 HG12 -0.48 -0.01 -0.44 -0.04 1.49 0.52 3hp1A1 ILE 24 HG13 -0.34 0.00 -0.22 -0.04 1.21 0.61 3hp1A1 ILE 24 HG23 0.27 -0.01 -0.34 -0.04 0.93 0.80 3hp1A1 ILE 24 HD13 -0.10 0.05 -0.26 -0.04 0.88 0.53 3hp1A1 SER 25 H 0.12 0.49 0.37 -0.55 8.46 8.89 3hp1A1 SER 25 HA 0.25 0.31 1.30 -0.75 4.49 5.60 3hp1A1 SER 25 HB2 0.35 0.10 -0.10 -0.04 3.95 4.26 3hp1A1 SER 25 HB3 0.30 0.03 -0.01 -0.04 3.93 4.21 3hp1A1 ILE 26 H 0.25 0.72 0.39 -0.55 8.25 9.06 3hp1A1 ILE 26 HA 0.11 0.27 0.99 -0.75 4.18 4.80 3hp1A1 ILE 26 HB 0.20 -0.12 0.28 -0.04 1.89 2.21 3hp1A1 ILE 26 HG12 0.30 0.15 -0.06 -0.04 1.49 1.83 3hp1A1 ILE 26 HG13 0.25 -0.04 -0.08 -0.04 1.21 1.29 3hp1A1 ILE 26 HG23 0.06 -0.02 -0.06 -0.04 0.93 0.87 3hp1A1 ILE 26 HD13 0.26 0.02 -0.16 -0.04 0.88 0.95 3hp1A1 GLU 27 H 0.11 0.92 0.43 -0.55 8.60 9.51 3hp1A1 GLU 27 HA 0.30 0.04 0.90 -0.75 4.29 4.77 3hp1A1 GLU 27 HB2 0.14 0.06 -0.00 -0.04 2.09 2.24 3hp1A1 GLU 27 HB3 0.43 -0.06 0.04 -0.04 1.99 2.36 3hp1A1 GLU 27 HG2 0.19 0.05 -0.37 -0.04 2.34 2.17 3hp1A1 GLU 27 HG3 0.07 0.07 -0.14 -0.04 2.34 2.31 3hp1A1 GLY 28 H 0.24 0.25 0.23 -0.55 8.43 8.60 3hp1A1 GLY 28 HA2 0.00 0.10 0.41 -0.51 4.01 4.01 3hp1A1 GLY 28 HA3 0.02 0.09 0.49 -0.51 4.01 4.11 3hp1A1 ASN 29 H -0.09 0.18 0.13 -0.55 8.53 8.20 3hp1A1 ASN 29 HA 0.11 0.09 0.46 -0.75 4.76 4.67 3hp1A1 ASN 29 HB2 0.03 0.03 0.10 -0.04 2.88 3.00 3hp1A1 ASN 29 HB3 0.06 0.06 -0.06 -0.04 2.79 2.82 3hp1A1 ASN 29 HD21 0.10 0.28 0.18 -0.04 7.03 7.55 3hp1A1 ASN 29 HD22 0.12 -0.01 0.02 -0.04 7.74 7.84 3hp1A1 ILE 30 H 0.23 0.13 0.10 -0.55 8.25 8.17 3hp1A1 ILE 30 HA 0.21 0.00 0.46 -0.75 4.18 4.09 3hp1A1 ILE 30 HB 0.22 0.02 0.10 -0.04 1.89 2.18 3hp1A1 ILE 30 HG12 0.33 0.01 0.02 -0.04 1.49 1.81 3hp1A1 ILE 30 HG13 0.49 -0.06 0.06 -0.04 1.21 1.66 3hp1A1 ILE 30 HG23 0.15 0.02 -0.10 -0.04 0.93 0.95 3hp1A1 ILE 30 HD13 0.51 0.02 -0.01 -0.04 0.88 1.35 3hp1A1 ALA 31 H 0.10 0.07 0.19 -0.55 8.40 8.22 3hp1A1 ALA 31 HA 0.05 -0.06 0.27 -0.75 4.34 3.84 3hp1A1 ALA 31 HB3 0.05 0.09 -0.16 -0.04 1.41 1.34 3hp1A1 ALA 32 H 0.06 0.37 -0.31 -0.55 8.40 7.98 3hp1A1 ALA 32 HA 0.02 0.11 0.34 -0.75 4.34 4.05 3hp1A1 ALA 32 HB3 -0.01 -0.02 -0.06 -0.04 1.41 1.28 3hp1A1 GLY 33 H 0.03 -0.23 -0.11 -0.55 8.43 7.57 3hp1A1 GLY 33 HA2 -0.02 0.01 0.09 -0.51 4.01 3.58 3hp1A1 GLY 33 HA3 -0.01 0.32 0.72 -0.51 4.01 4.53 3hp1A1 LYS 34 H 0.04 -0.06 0.07 -0.55 8.42 7.91 3hp1A1 LYS 34 HA 0.09 0.18 0.27 -0.75 4.32 4.11 3hp1A1 LYS 34 HB2 0.09 -0.08 0.12 -0.04 1.87 1.95 3hp1A1 LYS 34 HB3 0.11 0.10 -0.01 -0.04 1.79 1.95 3hp1A1 LYS 34 HG2 0.05 0.11 -0.19 -0.04 1.46 1.39 3hp1A1 LYS 34 HG3 0.06 -0.12 -0.07 -0.04 1.46 1.29 3hp1A1 LYS 34 HD2 0.16 0.17 -0.13 -0.04 1.69 1.86 3hp1A1 LYS 34 HD3 0.14 -0.00 -0.23 -0.04 1.68 1.55 3hp1A1 LYS 34 HE2 0.14 -0.04 -0.01 -0.04 2.99 3.04 3hp1A1 LYS 34 HE3 0.22 0.05 -0.02 -0.04 2.99 3.20 3hp1A1 SER 35 H 0.03 0.06 -0.02 -0.55 8.46 7.99 3hp1A1 SER 35 HA 0.03 0.12 0.44 -0.75 4.49 4.32 3hp1A1 SER 35 HB2 -0.01 -0.03 0.05 -0.04 3.95 3.92 3hp1A1 SER 35 HB3 -0.02 0.11 0.00 -0.04 3.93 3.98 3hp1A1 THR 36 H -0.06 -0.02 -0.40 -0.55 8.28 7.25 3hp1A1 THR 36 HA -0.17 0.09 0.38 -0.75 4.39 3.93 3hp1A1 THR 36 HB -0.27 0.14 0.04 -0.04 4.32 4.18 3hp1A1 THR 36 HG23 -0.65 0.01 -0.07 -0.04 1.22 0.46 3hp1A1 PHE 37 H 0.05 0.51 -0.16 -0.55 8.34 8.19 3hp1A1 PHE 37 HA -0.00 0.05 0.44 -0.75 4.62 4.35 3hp1A1 PHE 37 HB2 0.03 -0.00 0.01 -0.04 3.15 3.15 3hp1A1 PHE 37 HB3 -0.01 0.07 0.13 -0.04 3.06 3.21 3hp1A1 PHE 37 HD2 0.13 -0.01 -0.12 -0.04 7.28 7.24 3hp1A1 PHE 37 HE2 -0.05 0.01 -0.14 -0.04 7.38 7.16 3hp1A1 PHE 37 HZ -0.05 0.04 -0.13 -0.04 7.32 7.14 3hp1A1 VAL 38 H 0.09 0.52 -0.08 -0.55 8.24 8.22 3hp1A1 VAL 38 HA -0.15 0.05 0.34 -0.75 4.13 3.61 3hp1A1 VAL 38 HB 0.06 0.06 0.18 -0.04 2.12 2.37 3hp1A1 VAL 38 HG13 0.03 -0.00 -0.17 -0.04 0.97 0.78 3hp1A1 VAL 38 HG23 0.13 -0.02 -0.07 -0.04 0.95 0.96 3hp1A1 ASN 39 H -0.05 0.51 -0.20 -0.55 8.53 8.24 3hp1A1 ASN 39 HA -0.02 0.04 0.48 -0.75 4.76 4.51 3hp1A1 ASN 39 HB2 -0.07 0.11 0.08 -0.04 2.88 2.96 3hp1A1 ASN 39 HB3 -0.04 -0.02 0.05 -0.04 2.79 2.74 3hp1A1 ASN 39 HD21 -0.02 -0.10 -0.01 -0.04 7.03 6.85 3hp1A1 ASN 39 HD22 -0.03 0.53 0.12 -0.04 7.74 8.32 3hp1A1 ILE 40 H -0.10 0.36 -0.76 -0.55 8.25 7.20 3hp1A1 ILE 40 HA 0.03 0.09 0.58 -0.75 4.18 4.13 3hp1A1 ILE 40 HB 0.08 0.13 0.09 -0.04 1.89 2.15 3hp1A1 ILE 40 HG12 0.51 -0.06 0.00 -0.04 1.49 1.91 3hp1A1 ILE 40 HG13 0.28 -0.03 0.06 -0.04 1.21 1.48 3hp1A1 ILE 40 HG23 -0.03 0.01 -0.09 -0.04 0.93 0.77 3hp1A1 ILE 40 HD13 0.03 0.02 -0.09 -0.04 0.88 0.80 3hp1A1 LEU 41 H -0.06 0.43 -0.18 -0.55 8.37 8.01 3hp1A1 LEU 41 HA 0.11 0.08 0.15 -0.75 4.35 3.94 3hp1A1 LEU 41 HB2 -0.06 0.10 0.09 -0.04 1.64 1.73 3hp1A1 LEU 41 HB3 0.14 0.02 -0.08 -0.04 1.64 1.68 3hp1A1 LEU 41 HG -0.55 0.09 -0.01 -0.04 1.64 1.13 3hp1A1 LEU 41 HD13 -1.12 -0.01 -0.09 -0.04 0.93 -0.33 3hp1A1 LEU 41 HD23 -0.45 -0.01 -0.13 -0.04 0.89 0.25 3hp1A1 LYS 42 H 0.08 0.15 -0.04 -0.55 8.42 8.05 3hp1A1 LYS 42 HA 0.16 0.23 0.41 -0.75 4.32 4.37 3hp1A1 LYS 42 HB2 0.05 -0.05 0.07 -0.04 1.87 1.90 3hp1A1 LYS 42 HB3 0.05 0.02 0.05 -0.04 1.79 1.87 3hp1A1 LYS 42 HG2 0.16 0.40 0.13 -0.04 1.46 2.11 3hp1A1 LYS 42 HG3 0.12 -0.10 0.03 -0.04 1.46 1.47 3hp1A1 LYS 42 HD2 0.08 -0.07 0.07 -0.04 1.69 1.73 3hp1A1 LYS 42 HD3 0.05 -0.04 0.04 -0.04 1.68 1.69 3hp1A1 LYS 42 HE2 0.10 0.23 0.15 -0.04 2.99 3.44 3hp1A1 LYS 42 HE3 0.07 -0.05 0.09 -0.04 2.99 3.06 3hp1A1 GLN 43 H 0.02 0.11 -0.44 -0.55 8.47 7.61 3hp1A1 GLN 43 HA -0.04 0.09 0.40 -0.75 4.36 4.06 3hp1A1 GLN 43 HB2 -0.01 -0.03 0.06 -0.04 2.15 2.13 3hp1A1 GLN 43 HB3 -0.00 -0.03 0.02 -0.04 2.02 1.96 3hp1A1 GLN 43 HG2 0.03 0.04 -0.07 -0.04 2.40 2.35 3hp1A1 GLN 43 HG3 0.04 0.07 -0.15 -0.04 2.39 2.31 3hp1A1 GLN 43 HE21 -0.01 -0.08 -0.01 -0.04 6.97 6.83 3hp1A1 GLN 43 HE22 0.16 0.06 -0.00 -0.04 7.69 7.87 3hp1A1 LEU 44 H -0.07 0.40 -0.37 -0.55 8.37 7.79 3hp1A1 LEU 44 HA -0.15 0.03 0.53 -0.75 4.35 4.01 3hp1A1 LEU 44 HB2 -0.39 0.14 0.09 -0.04 1.64 1.43 3hp1A1 LEU 44 HB3 -0.27 -0.08 0.06 -0.04 1.64 1.31 3hp1A1 LEU 44 HG 0.05 0.26 0.11 -0.04 1.64 2.02 3hp1A1 LEU 44 HD13 0.21 -0.04 -0.04 -0.04 0.93 1.03 3hp1A1 LEU 44 HD23 0.03 -0.04 -0.05 -0.04 0.89 0.79 3hp1A1 CYS 45 H -0.43 0.44 -0.15 -0.55 8.50 7.82 3hp1A1 CYS 45 HA -0.37 0.04 0.48 -0.75 4.58 3.97 3hp1A1 CYS 45 HB2 -0.82 0.18 0.03 -0.04 2.97 2.31 3hp1A1 CYS 45 HB3 -2.27 0.01 -0.09 -0.04 2.97 0.58 3hp1A1 GLU 46 H -0.18 0.13 0.14 -0.55 8.60 8.15 3hp1A1 GLU 46 HA -0.06 0.19 0.39 -0.75 4.29 4.06 3hp1A1 ASP 47 H -0.12 0.01 -0.33 -0.55 8.40 7.41 3hp1A1 ASP 47 HA 0.07 0.13 0.50 -0.75 4.63 4.58 3hp1A1 ASP 47 HB2 0.05 -0.01 -0.00 -0.04 2.71 2.71 3hp1A1 ASP 47 HB3 0.19 0.14 -0.10 -0.04 2.70 2.89 3hp1A1 TRP 48 H 0.18 0.34 -0.28 -0.55 7.97 7.66 3hp1A1 TRP 48 HA 0.06 0.24 0.87 -0.75 4.62 5.04 3hp1A1 TRP 48 HB2 0.13 0.12 0.08 -0.04 3.23 3.52 3hp1A1 TRP 48 HB3 0.38 -0.04 -0.10 -0.04 3.23 3.42 3hp1A1 TRP 48 HD1 0.04 -0.02 -0.43 -0.04 7.22 6.77 3hp1A1 TRP 48 HE1 0.05 0.06 -0.09 -0.04 10.20 10.18 3hp1A1 TRP 48 HE3 0.08 0.00 -0.08 -0.04 7.59 7.55 3hp1A1 TRP 48 HZ2 0.10 0.02 -0.09 -0.04 7.44 7.42 3hp1A1 TRP 48 HZ3 -0.03 -0.06 -0.05 -0.04 7.13 6.95 3hp1A1 TRP 48 HH2 0.08 -0.04 -0.12 -0.04 7.19 7.07 3hp1A1 GLU 49 H 0.16 0.75 0.47 -0.55 8.60 9.43 3hp1A1 GLU 49 HA 0.18 0.15 0.98 -0.75 4.29 4.84 3hp1A1 VAL 50 H 0.14 0.21 0.20 -0.55 8.24 8.24 3hp1A1 VAL 50 HA 0.24 0.26 1.11 -0.75 4.13 4.98 3hp1A1 VAL 50 HB 0.11 -0.02 0.06 -0.04 2.12 2.23 3hp1A1 VAL 50 HG13 0.13 -0.03 -0.17 -0.04 0.97 0.86 3hp1A1 VAL 50 HG23 0.19 0.03 -0.21 -0.04 0.95 0.91 3hp1A1 VAL 51 H 0.24 0.73 0.27 -0.55 8.24 8.93 3hp1A1 VAL 51 HA 0.08 0.22 0.97 -0.75 4.13 4.64 3hp1A1 VAL 51 HB 0.22 -0.11 0.26 -0.04 2.12 2.45 3hp1A1 VAL 51 HG13 -0.05 0.01 -0.19 -0.04 0.97 0.71 3hp1A1 VAL 51 HG23 0.23 0.03 -0.10 -0.04 0.95 1.07 3hp1A1 PRO 52 HA 0.04 -0.04 0.33 -0.51 4.44 4.26 3hp1A1 PRO 52 HB2 -0.05 0.02 -0.03 -0.04 2.28 2.18 3hp1A1 PRO 52 HB3 0.00 -0.01 0.04 -0.04 2.02 2.01 3hp1A1 PRO 52 HG2 -0.04 0.01 -0.01 -0.04 2.03 1.94 3hp1A1 PRO 52 HG3 -0.01 0.05 0.02 -0.04 2.03 2.06 3hp1A1 PRO 52 HD2 0.01 0.13 0.18 -0.04 3.68 3.95 3hp1A1 PRO 52 HD3 0.04 0.32 -0.01 -0.04 3.65 3.96 3hp1A1 GLU 53 H -0.03 -0.00 0.19 -0.55 8.60 8.22 3hp1A1 GLU 53 HA -0.11 0.23 0.58 -0.75 4.29 4.24 3hp1A1 GLU 53 HB2 -0.02 -0.05 0.17 -0.04 2.09 2.15 3hp1A1 GLU 53 HB3 -0.22 -0.16 0.06 -0.04 1.99 1.62 3hp1A1 GLU 53 HG2 0.06 0.01 -0.04 -0.04 2.34 2.34 3hp1A1 GLU 53 HG3 0.10 0.22 0.00 -0.04 2.34 2.63 3hp1A1 PRO 54 HA -0.36 0.11 0.33 -0.51 4.44 4.01 3hp1A1 PRO 54 HB2 -0.56 -0.06 0.14 -0.04 2.28 1.76 3hp1A1 PRO 54 HB3 -0.24 0.06 0.11 -0.04 2.02 1.91 3hp1A1 PRO 54 HG2 -0.06 0.05 -0.12 -0.04 2.03 1.87 3hp1A1 PRO 54 HG3 -0.14 0.17 0.06 -0.04 2.03 2.07 3hp1A1 PRO 54 HD2 -0.23 0.04 0.04 -0.04 3.68 3.48 3hp1A1 PRO 54 HD3 -0.13 0.25 0.25 -0.04 3.65 3.99 3hp1A1 VAL 55 H -0.57 0.69 -0.15 -0.55 8.24 7.66 3hp1A1 VAL 55 HA -0.94 0.03 0.16 -0.75 4.13 2.63 3hp1A1 VAL 55 HB -0.15 0.02 0.06 -0.04 2.12 2.01 3hp1A1 VAL 55 HG13 0.13 -0.01 -0.08 -0.04 0.97 0.97 3hp1A1 VAL 55 HG23 -0.23 0.05 -0.01 -0.04 0.95 0.72 3hp1A1 ALA 56 H -0.20 0.16 -0.12 -0.55 8.40 7.69 3hp1A1 ALA 56 HA -0.03 0.05 0.39 -0.75 4.34 4.00 3hp1A1 ALA 56 HB3 -0.06 0.03 0.04 -0.04 1.41 1.37 3hp1A1 ARG 57 H -0.19 0.14 -0.31 -0.55 8.46 7.55 3hp1A1 ARG 57 HA 0.03 0.16 0.40 -0.75 4.34 4.17 3hp1A1 TRP 58 H -0.00 0.36 -0.31 -0.55 7.97 7.47 3hp1A1 TRP 58 HA 0.22 0.06 0.36 -0.75 4.62 4.50 3hp1A1 TRP 58 HB2 0.16 0.17 0.06 -0.04 3.23 3.58 3hp1A1 TRP 58 HB3 0.34 -0.15 0.01 -0.04 3.23 3.39 3hp1A1 TRP 58 HD1 0.07 -0.00 -0.18 -0.04 7.22 7.06 3hp1A1 TRP 58 HE1 -0.25 0.04 -0.05 -0.04 10.20 9.90 3hp1A1 TRP 58 HE3 0.26 -0.01 -0.07 -0.04 7.59 7.72 3hp1A1 TRP 58 HZ2 -0.12 0.16 -0.03 -0.04 7.44 7.41 3hp1A1 TRP 58 HZ3 0.11 -0.04 -0.09 -0.04 7.13 7.08 3hp1A1 TRP 58 HH2 -0.04 -0.00 -0.09 -0.04 7.19 7.02 3hp1A1 CYS 59 H 0.18 0.43 -0.36 -0.55 8.50 8.20 3hp1A1 CYS 59 HA 0.12 -0.15 0.96 -0.75 4.58 4.75 3hp1A1 CYS 59 HB2 0.06 -0.07 0.18 -0.04 2.97 3.10 3hp1A1 CYS 59 HB3 0.12 -0.08 0.04 -0.04 2.97 3.02 3hp1A1 ASN 60 H 0.13 0.32 -0.50 -0.55 8.53 7.93 3hp1A1 ASN 60 HA 0.02 0.21 0.19 -0.75 4.76 4.43 3hp1A1 ASN 60 HB2 0.03 0.03 -0.11 -0.04 2.88 2.79 3hp1A1 ASN 60 HB3 0.04 -0.06 0.07 -0.04 2.79 2.79 3hp1A1 ASN 60 HD21 0.01 0.03 -0.01 -0.04 7.03 7.01 3hp1A1 ASN 60 HD22 0.01 -0.09 -0.02 -0.04 7.74 7.59 3hp1A1 VAL 61 H 0.00 0.36 0.08 -0.55 8.24 8.13 3hp1A1 VAL 61 HA 0.11 0.11 0.38 -0.75 4.13 3.98 3hp1A1 VAL 61 HB -0.09 -0.06 0.09 -0.04 2.12 2.02 3hp1A1 VAL 61 HG13 -0.19 -0.01 -0.00 -0.04 0.97 0.73 3hp1A1 VAL 61 HG23 -0.09 0.09 0.03 -0.04 0.95 0.94 3hp1A1 GLN 62 H 0.10 0.09 0.15 -0.55 8.47 8.27 3hp1A1 GLN 62 HA 0.02 0.14 0.50 -0.75 4.36 4.26 3hp1A1 GLN 62 HB2 0.04 0.04 -0.06 -0.04 2.15 2.12 3hp1A1 GLN 62 HB3 0.03 -0.02 0.10 -0.04 2.02 2.10 3hp1A1 GLN 62 HG2 0.02 -0.05 -0.00 -0.04 2.40 2.32 3hp1A1 GLN 62 HG3 0.01 0.03 1.06 -0.04 2.39 3.45 3hp1A1 GLN 62 HE21 0.01 0.01 -0.30 -0.04 6.97 6.64 3hp1A1 GLN 62 HE22 0.01 -0.04 -0.06 -0.04 7.69 7.56 3hp1A1 GLY 78 HA2 -0.02 -0.09 0.23 -0.51 4.01 3.62 3hp1A1 GLY 78 HA3 -0.01 0.14 0.30 -0.51 4.01 3.93 3hp1A1 GLY 79 H -0.06 0.07 0.11 -0.55 8.43 8.01 3hp1A1 GLY 79 HA2 -0.07 0.10 0.47 -0.51 4.01 4.01 3hp1A1 GLY 79 HA3 -0.11 -0.02 0.29 -0.51 4.01 3.65 3hp1A1 ASN 80 H -0.09 0.16 0.12 -0.55 8.53 8.18 3hp1A1 ASN 80 HA -0.00 0.21 0.72 -0.75 4.76 4.93 3hp1A1 ASN 80 HB2 -0.02 0.23 0.17 -0.04 2.88 3.22 3hp1A1 ASN 80 HB3 -0.05 -0.07 0.29 -0.04 2.79 2.92 3hp1A1 ASN 80 HD21 0.03 -0.10 0.08 -0.04 7.03 7.00 3hp1A1 ASN 80 HD22 0.00 0.10 0.11 -0.04 7.74 7.91 3hp1A1 VAL 81 H -0.03 0.47 0.07 -0.55 8.24 8.20 3hp1A1 VAL 81 HA -0.30 0.05 0.39 -0.75 4.13 3.51 3hp1A1 VAL 81 HB -0.19 0.04 0.00 -0.04 2.12 1.93 3hp1A1 VAL 81 HG13 0.11 0.08 -0.04 -0.04 0.97 1.09 3hp1A1 VAL 81 HG23 -0.17 -0.01 -0.02 -0.04 0.95 0.71 3hp1A1 LEU 82 H 0.08 0.39 -0.06 -0.55 8.37 8.23 3hp1A1 LEU 82 HA -0.48 0.08 0.53 -0.75 4.35 3.73 3hp1A1 LEU 82 HB2 0.31 0.05 -0.10 -0.04 1.64 1.86 3hp1A1 LEU 82 HB3 0.12 -0.02 -0.08 -0.04 1.64 1.63 3hp1A1 LEU 82 HG 0.08 0.01 -0.27 -0.04 1.64 1.42 3hp1A1 LEU 82 HD13 0.00 0.00 -0.05 -0.04 0.93 0.84 3hp1A1 LEU 82 HD23 0.22 0.00 -0.13 -0.04 0.89 0.94 3hp1A1 GLN 83 H -0.03 0.12 -0.23 -0.55 8.47 7.79 3hp1A1 GLN 83 HA 0.04 0.07 0.50 -0.75 4.36 4.22 3hp1A1 GLN 83 HB2 -0.01 -0.05 0.14 -0.04 2.15 2.18 3hp1A1 GLN 83 HB3 -0.07 0.17 0.11 -0.04 2.02 2.19 3hp1A1 GLN 83 HG2 -0.00 0.00 -0.05 -0.04 2.40 2.31 3hp1A1 GLN 83 HG3 0.01 -0.03 0.03 -0.04 2.39 2.37 3hp1A1 GLN 83 HE21 -0.00 0.04 0.01 -0.04 6.97 6.97 3hp1A1 GLN 83 HE22 0.00 -0.04 -0.01 -0.04 7.69 7.61 3hp1A1 MET 84 H -0.22 0.34 -0.17 -0.55 8.47 7.87 3hp1A1 MET 84 HA -0.13 0.04 0.32 -0.75 4.52 3.99 3hp1A1 MET 84 HB2 -0.69 0.05 0.12 -0.04 2.15 1.58 3hp1A1 MET 84 HB3 -1.66 -0.01 -0.01 -0.04 2.03 0.31 3hp1A1 MET 84 HG2 -0.51 0.00 0.00 -0.04 2.63 2.09 3hp1A1 MET 84 HG3 -0.33 0.07 0.06 -0.04 2.56 2.32 3hp1A1 MET 84 HE3 -1.73 0.00 -0.04 -0.04 2.10 0.30 3hp1A1 MET 85 H -0.26 0.48 -0.25 -0.55 8.47 7.90 3hp1A1 MET 85 HA -0.01 -0.09 0.25 -0.75 4.52 3.92 3hp1A1 MET 85 HB2 -0.44 -0.04 0.05 -0.04 2.15 1.67 3hp1A1 MET 85 HB3 -0.78 0.19 0.17 -0.04 2.03 1.57 3hp1A1 MET 85 HG2 -1.43 -0.04 -0.04 -0.04 2.63 1.08 3hp1A1 MET 85 HG3 -1.05 0.08 -0.35 -0.04 2.56 1.20 3hp1A1 MET 85 HE3 -0.15 -0.00 -0.06 -0.04 2.10 1.85 3hp1A1 TYR 86 H -0.31 0.38 -0.16 -0.55 8.29 7.66 3hp1A1 TYR 86 HA -0.11 0.03 0.50 -0.75 4.56 4.23 3hp1A1 TYR 86 HB2 -0.08 0.08 0.12 -0.04 3.06 3.13 3hp1A1 TYR 86 HB3 -0.08 -0.02 0.05 -0.04 2.98 2.88 3hp1A1 TYR 86 HD2 -0.17 0.03 -0.07 -0.04 7.15 6.90 3hp1A1 TYR 86 HE2 -0.16 -0.07 -0.10 -0.04 6.85 6.48 3hp1A1 GLU 87 H 0.04 0.58 -0.13 -0.55 8.60 8.54 3hp1A1 GLU 87 HA 0.06 0.04 0.57 -0.75 4.29 4.20 3hp1A1 GLU 87 HB2 0.04 -0.06 0.06 -0.04 2.09 2.08 3hp1A1 GLU 87 HB3 0.03 0.10 0.07 -0.04 1.99 2.15 3hp1A1 GLU 87 HG2 0.12 0.05 -0.41 -0.04 2.34 2.06 3hp1A1 GLU 87 HG3 0.07 -0.04 -0.03 -0.04 2.34 2.30 3hp1A1 LYS 88 H 0.18 0.72 -0.12 -0.55 8.42 8.65 3hp1A1 LYS 88 HA 0.07 0.18 0.64 -0.75 4.32 4.45 3hp1A1 LYS 88 HB2 0.15 0.06 -0.18 -0.04 1.87 1.86 3hp1A1 LYS 88 HB3 0.20 -0.09 0.20 -0.04 1.79 2.05 3hp1A1 LYS 88 HG2 -0.03 -0.24 0.04 -0.04 1.46 1.19 3hp1A1 LYS 88 HG3 0.02 0.11 0.12 -0.04 1.46 1.66 3hp1A1 LYS 88 HD2 0.03 0.06 0.02 -0.04 1.69 1.76 3hp1A1 LYS 88 HD3 0.01 -0.02 0.02 -0.04 1.68 1.65 3hp1A1 LYS 88 HE2 -0.07 -0.06 -0.01 -0.04 2.99 2.81 3hp1A1 LYS 88 HE3 -0.03 0.04 0.01 -0.04 2.99 2.97 3hp1A1 PRO 89 HA 0.05 0.03 0.45 -0.51 4.44 4.46 3hp1A1 PRO 89 HB2 0.02 -0.01 0.02 -0.04 2.28 2.27 3hp1A1 PRO 89 HB3 -0.01 0.05 0.13 -0.04 2.02 2.15 3hp1A1 PRO 89 HG2 0.01 -0.00 0.10 -0.04 2.03 2.10 3hp1A1 PRO 89 HG3 0.01 0.07 0.08 -0.04 2.03 2.15 3hp1A1 PRO 89 HD2 0.03 0.10 0.11 -0.04 3.68 3.88 3hp1A1 PRO 89 HD3 0.04 0.33 -0.13 -0.04 3.65 3.85 3hp1A1 GLU 90 H -0.00 0.14 -0.16 -0.55 8.60 8.03 3hp1A1 GLU 90 HA -0.01 0.26 0.62 -0.75 4.29 4.40 3hp1A1 GLU 90 HB2 -0.03 -0.04 0.10 -0.04 2.09 2.07 3hp1A1 GLU 90 HB3 -0.05 0.01 0.05 -0.04 1.99 1.96 3hp1A1 GLU 90 HG2 -0.02 0.13 0.09 -0.04 2.34 2.49 3hp1A1 GLU 90 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.27 3hp1A1 ARG 91 H -0.10 0.24 -0.23 -0.55 8.46 7.82 3hp1A1 ARG 91 HA -0.33 0.13 0.70 -0.75 4.34 4.09 3hp1A1 ARG 91 HB2 -0.33 -0.03 0.06 -0.04 1.90 1.56 3hp1A1 ARG 91 HB3 -0.50 0.13 0.15 -0.04 1.80 1.55 3hp1A1 ARG 91 HG2 -0.80 -0.00 -0.00 -0.04 1.67 0.82 3hp1A1 ARG 91 HG3 -2.51 -0.03 -0.17 -0.04 1.67 -1.08 3hp1A1 ARG 91 HD2 -0.61 0.00 0.15 -0.04 3.22 2.73 3hp1A1 ARG 91 HD3 -0.41 0.00 0.04 -0.04 3.22 2.81 3hp1A1 TRP 92 H 0.05 0.39 0.05 -0.55 7.97 7.91 3hp1A1 TRP 92 HA 0.04 0.14 0.71 -0.75 4.62 4.75 3hp1A1 TRP 92 HB2 -0.04 0.23 -0.26 -0.04 3.23 3.11 3hp1A1 TRP 92 HB3 -0.01 -0.11 -0.08 -0.04 3.23 2.99 3hp1A1 TRP 92 HD1 -0.02 0.21 -0.01 -0.04 7.22 7.36 3hp1A1 TRP 92 HE1 -0.01 0.03 -0.03 -0.04 10.20 10.14 3hp1A1 TRP 92 HE3 0.02 -0.12 0.02 -0.04 7.59 7.46 3hp1A1 TRP 92 HZ2 -0.01 0.02 -0.03 -0.04 7.44 7.38 3hp1A1 TRP 92 HZ3 -0.00 -0.01 -0.01 -0.04 7.13 7.06 3hp1A1 TRP 92 HH2 -0.01 0.02 -0.02 -0.04 7.19 7.13 3hp1A1 SER 93 H 0.12 0.57 0.06 -0.55 8.46 8.66 3hp1A1 SER 93 HA 0.13 -0.01 0.39 -0.75 4.49 4.26 3hp1A1 SER 93 HB2 0.10 0.24 0.07 -0.04 3.95 4.31 3hp1A1 SER 93 HB3 0.10 -0.10 -0.12 -0.04 3.93 3.77 3hp1A1 PHE 94 H 0.24 0.26 -0.16 -0.55 8.34 8.12 3hp1A1 PHE 94 HA 0.08 0.04 0.33 -0.75 4.62 4.31 3hp1A1 PHE 94 HB2 0.06 -0.03 0.07 -0.04 3.15 3.21 3hp1A1 PHE 94 HB3 0.03 0.06 0.05 -0.04 3.06 3.16 3hp1A1 PHE 94 HD2 0.07 0.01 -0.15 -0.04 7.28 7.17 3hp1A1 PHE 94 HE2 -0.01 0.02 -0.05 -0.04 7.38 7.30 3hp1A1 PHE 94 HZ -0.13 0.03 -0.08 -0.04 7.32 7.11 3hp1A1 THR 95 H 0.31 0.16 -0.27 -0.55 8.28 7.92 3hp1A1 THR 95 HA 0.00 0.04 0.37 -0.75 4.39 4.05 3hp1A1 THR 95 HB 0.48 0.08 0.15 -0.04 4.32 4.98 3hp1A1 THR 95 HG23 0.11 -0.00 -0.09 -0.04 1.22 1.20 3hp1A1 PHE 96 H 0.24 0.74 -0.02 -0.55 8.34 8.75 3hp1A1 PHE 96 HA -0.12 -0.00 0.36 -0.75 4.62 4.11 3hp1A1 PHE 96 HB2 -0.11 0.05 0.06 -0.04 3.15 3.10 3hp1A1 PHE 96 HB3 -0.09 0.08 0.12 -0.04 3.06 3.12 3hp1A1 PHE 96 HD2 -0.20 0.02 -0.20 -0.04 7.28 6.85 3hp1A1 PHE 96 HE2 -0.32 -0.02 -0.09 -0.04 7.38 6.91 3hp1A1 PHE 96 HZ -0.53 -0.02 -0.08 -0.04 7.32 6.66 3hp1A1 GLN 97 H 0.03 0.89 0.00 -0.55 8.47 8.84 3hp1A1 GLN 97 HA -0.28 -0.03 0.27 -0.75 4.36 3.56 3hp1A1 GLN 97 HB2 -0.05 0.09 0.10 -0.04 2.15 2.24 3hp1A1 GLN 97 HB3 -0.04 -0.05 -0.03 -0.04 2.02 1.86 3hp1A1 GLN 97 HG2 0.15 0.12 0.06 -0.04 2.40 2.68 3hp1A1 GLN 97 HG3 0.02 -0.04 -0.06 -0.04 2.39 2.27 3hp1A1 GLN 97 HE21 0.08 -0.05 -0.01 -0.04 6.97 6.95 3hp1A1 GLN 97 HE22 0.05 0.02 0.03 -0.04 7.69 7.75 3hp1A1 THR 98 H -0.36 0.55 -0.16 -0.55 8.28 7.76 3hp1A1 THR 98 HA -0.45 0.02 0.55 -0.75 4.39 3.76 3hp1A1 THR 98 HB -1.46 -0.04 0.05 -0.04 4.32 2.84 3hp1A1 THR 98 HG23 -0.94 0.02 0.06 -0.04 1.22 0.31 3hp1A1 TYR 99 H -0.25 0.58 -0.08 -0.55 8.29 7.99 3hp1A1 TYR 99 HA -0.21 0.02 0.57 -0.75 4.56 4.18 3hp1A1 TYR 99 HB2 -0.23 0.07 0.13 -0.04 3.06 3.00 3hp1A1 TYR 99 HB3 -0.45 0.07 0.12 -0.04 2.98 2.68 3hp1A1 TYR 99 HD2 -0.20 0.00 -0.03 -0.04 7.15 6.87 3hp1A1 TYR 99 HE2 0.10 0.03 -0.04 -0.04 6.85 6.90 3hp1A1 ALA 100 H -0.75 0.75 -0.11 -0.55 8.40 7.74 3hp1A1 ALA 100 HA -1.20 0.01 0.37 -0.75 4.34 2.75 3hp1A1 ALA 100 HB3 -1.35 0.02 0.05 -0.04 1.41 0.09 3hp1A1 CYS 101 H -0.14 0.46 -0.18 -0.55 8.50 8.09 3hp1A1 CYS 101 HA 0.06 0.00 0.29 -0.75 4.58 4.18 3hp1A1 CYS 101 HB2 0.26 0.07 0.12 -0.04 2.97 3.37 3hp1A1 CYS 101 HB3 0.53 0.09 0.11 -0.04 2.97 3.66 3hp1A1 LEU 102 H 0.13 0.54 -0.10 -0.55 8.37 8.39 3hp1A1 LEU 102 HA 0.15 0.02 0.56 -0.75 4.35 4.33 3hp1A1 LEU 102 HB2 0.53 0.02 0.13 -0.04 1.64 2.29 3hp1A1 LEU 102 HB3 0.04 0.06 0.18 -0.04 1.64 1.87 3hp1A1 LEU 102 HG 0.04 -0.01 -0.27 -0.04 1.64 1.36 3hp1A1 LEU 102 HD13 0.18 -0.01 0.05 -0.04 0.93 1.10 3hp1A1 LEU 102 HD23 0.15 -0.00 -0.02 -0.04 0.89 0.98 3hp1A1 SER 103 H -0.21 0.61 -0.12 -0.55 8.46 8.20 3hp1A1 SER 103 HA -0.09 0.01 0.42 -0.75 4.49 4.08 3hp1A1 SER 103 HB2 -0.03 -0.05 0.10 -0.04 3.95 3.92 3hp1A1 SER 103 HB3 -0.46 0.05 0.13 -0.04 3.93 3.60 3hp1A1 MET 104 H 0.04 0.35 -0.38 -0.55 8.47 7.92 3hp1A1 MET 104 HA -0.02 0.08 0.62 -0.75 4.52 4.45 3hp1A1 MET 104 HB2 0.14 -0.03 0.06 -0.04 2.15 2.28 3hp1A1 MET 104 HB3 0.03 0.08 0.15 -0.04 2.03 2.25 3hp1A1 MET 104 HG2 -0.11 -0.01 -0.29 -0.04 2.63 2.18 3hp1A1 MET 104 HG3 -0.07 0.08 -0.06 -0.04 2.56 2.47 3hp1A1 MET 104 HE3 0.18 0.00 -0.07 -0.04 2.10 2.17 3hp1A1 ILE 105 H -0.08 0.61 0.06 -0.55 8.25 8.29 3hp1A1 ILE 105 HA -0.20 -0.00 0.45 -0.75 4.18 3.67 3hp1A1 ILE 105 HB -0.14 0.09 0.26 -0.04 1.89 2.06 3hp1A1 ILE 105 HG12 -0.21 0.00 0.04 -0.04 1.49 1.28 3hp1A1 ILE 105 HG13 -0.17 -0.03 0.12 -0.04 1.21 1.08 3hp1A1 ILE 105 HG23 -0.29 0.00 -0.07 -0.04 0.93 0.53 3hp1A1 ILE 105 HD13 -0.30 -0.02 -0.05 -0.04 0.88 0.47 3hp1A1 ARG 106 H -0.12 0.60 -0.07 -0.55 8.46 8.33 3hp1A1 ARG 106 HA -0.19 -0.00 0.31 -0.75 4.34 3.71 3hp1A1 ARG 106 HB2 -0.07 0.07 0.08 -0.04 1.90 1.93 3hp1A1 ARG 106 HB3 -0.08 -0.02 0.01 -0.04 1.80 1.66 3hp1A1 ARG 106 HG2 -0.11 -0.04 0.03 -0.04 1.67 1.52 3hp1A1 ARG 106 HG3 -0.08 0.20 0.10 -0.04 1.67 1.84 3hp1A1 ARG 106 HD2 -0.00 -0.05 -0.06 -0.04 3.22 3.07 3hp1A1 ARG 106 HD3 -0.04 -0.01 -0.05 -0.04 3.22 3.08 3hp1A1 ALA 107 H -0.10 0.42 -0.26 -0.55 8.40 7.91 3hp1A1 ALA 107 HA -0.07 0.00 0.44 -0.75 4.34 3.96 3hp1A1 ALA 107 HB3 -0.08 0.02 0.13 -0.04 1.41 1.44 3hp1A1 GLN 108 H -0.19 0.50 -0.21 -0.55 8.47 8.02 3hp1A1 GLN 108 HA -0.20 0.05 0.51 -0.75 4.36 3.96 3hp1A1 GLN 108 HB2 -0.36 0.08 0.21 -0.04 2.15 2.04 3hp1A1 GLN 108 HB3 -0.68 -0.01 0.01 -0.04 2.02 1.30 3hp1A1 GLN 108 HG2 -0.94 -0.02 0.02 -0.04 2.40 1.41 3hp1A1 GLN 108 HG3 -0.38 0.14 0.04 -0.04 2.39 2.15 3hp1A1 GLN 108 HE21 -0.20 -0.12 -0.02 -0.04 6.97 6.60 3hp1A1 GLN 108 HE22 -0.29 0.07 -0.03 -0.04 7.69 7.40 3hp1A1 LEU 109 H -0.17 0.71 0.12 -0.55 8.37 8.47 3hp1A1 LEU 109 HA -0.06 0.05 0.51 -0.75 4.35 4.10 3hp1A1 LEU 109 HB2 -0.19 0.08 0.11 -0.04 1.64 1.59 3hp1A1 LEU 109 HB3 -0.14 -0.05 0.02 -0.04 1.64 1.43 3hp1A1 LEU 109 HG -0.24 0.11 0.05 -0.04 1.64 1.51 3hp1A1 LEU 109 HD13 -0.70 -0.02 -0.04 -0.04 0.93 0.12 3hp1A1 LEU 109 HD23 -0.06 0.01 0.01 -0.04 0.89 0.81 3hp1A1 ALA 110 H -0.08 0.48 -0.35 -0.55 8.40 7.90 3hp1A1 ALA 110 HA -0.03 -0.01 0.41 -0.75 4.34 3.95 3hp1A1 ALA 110 HB3 -0.04 0.02 0.09 -0.04 1.41 1.45 3hp1A1 SER 111 H -0.00 0.37 -0.32 -0.55 8.46 7.96 3hp1A1 SER 111 HA 0.03 0.08 0.69 -0.75 4.49 4.55 3hp1A1 SER 111 HB2 0.09 0.17 0.16 -0.04 3.95 4.33 3hp1A1 SER 111 HB3 0.12 -0.03 -0.06 -0.04 3.93 3.92 3hp1A1 LEU 112 H 0.03 0.31 -0.29 -0.55 8.37 7.87 3hp1A1 LEU 112 HA 0.04 0.12 0.48 -0.75 4.35 4.23 3hp1A1 LEU 112 HB2 0.02 0.08 0.16 -0.04 1.64 1.86 3hp1A1 LEU 112 HB3 0.03 -0.03 -0.03 -0.04 1.64 1.57 3hp1A1 LEU 112 HG 0.10 0.15 0.01 -0.04 1.64 1.86 3hp1A1 LEU 112 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.85 3hp1A1 LEU 112 HD23 0.09 0.01 -0.03 -0.04 0.89 0.92 3hp1A1 ASN 113 H 0.00 0.42 0.02 -0.55 8.53 8.43 3hp1A1 ASN 113 HA 0.00 0.06 0.55 -0.75 4.76 4.62 3hp1A1 ASN 113 HB2 -0.01 0.07 0.07 -0.04 2.88 2.98 3hp1A1 ASN 113 HB3 -0.00 -0.06 0.03 -0.04 2.79 2.72 3hp1A1 ASN 113 HD21 -0.01 -0.03 0.00 -0.04 7.03 6.95 3hp1A1 ASN 113 HD22 -0.01 -0.03 0.01 -0.04 7.74 7.68 3hp1A1 GLY 114 H 0.01 0.13 -0.78 -0.55 8.43 7.25 3hp1A1 GLY 114 HA2 0.01 -0.00 0.15 -0.51 4.01 3.65 3hp1A1 GLY 114 HA3 0.01 0.11 0.32 -0.51 4.01 3.95 3hp1A1 LYS 115 H 0.01 0.89 0.07 -0.55 8.42 8.83 3hp1A1 LYS 115 HA 0.01 -0.01 0.33 -0.75 4.32 3.90 3hp1A1 LEU 116 H 0.02 0.15 -0.52 -0.55 8.37 7.47 3hp1A1 LEU 116 HA 0.02 0.13 0.69 -0.75 4.35 4.43 3hp1A1 LEU 116 HB2 0.03 0.07 0.04 -0.04 1.64 1.75 3hp1A1 LEU 116 HB3 0.04 -0.07 0.18 -0.04 1.64 1.74 3hp1A1 LEU 116 HG 0.03 0.16 0.03 -0.04 1.64 1.81 3hp1A1 LEU 116 HD13 0.05 -0.03 0.03 -0.04 0.93 0.93 3hp1A1 LEU 116 HD23 0.02 0.02 -0.04 -0.04 0.89 0.85 3hp1A1 LYS 117 H 0.01 0.07 -0.14 -0.55 8.42 7.81 3hp1A1 LYS 117 HA 0.01 0.14 0.77 -0.75 4.32 4.49 3hp1A1 ASP 118 H 0.01 -0.01 0.08 -0.55 8.40 7.94 3hp1A1 ASP 118 HA 0.01 0.03 0.32 -0.75 4.63 4.24 3hp1A1 ALA 119 H 0.02 -0.03 0.06 -0.55 8.40 7.90 3hp1A1 ALA 119 HA 0.01 0.09 0.57 -0.75 4.34 4.26 3hp1A1 ALA 119 HB3 0.03 0.02 0.03 -0.04 1.41 1.45 3hp1A1 GLU 120 H 0.01 0.05 0.09 -0.55 8.60 8.20 3hp1A1 GLU 120 HA 0.01 0.08 0.27 -0.75 4.29 3.90 3hp1A1 GLU 120 HB2 0.01 -0.02 0.15 -0.04 2.09 2.18 3hp1A1 GLU 120 HB3 0.02 -0.12 0.17 -0.04 1.99 2.01 3hp1A1 GLU 120 HG2 0.01 -0.02 0.00 -0.04 2.34 2.29 3hp1A1 GLU 120 HG3 0.01 0.07 -0.10 -0.04 2.34 2.28 3hp1A1 LYS 121 H 0.04 0.02 -0.06 -0.55 8.42 7.87 3hp1A1 LYS 121 HA 0.03 0.31 0.88 -0.75 4.32 4.78 3hp1A1 PRO 122 HA 0.11 0.17 0.53 -0.51 4.44 4.73 3hp1A1 PRO 122 HB2 0.01 0.03 0.01 -0.04 2.28 2.28 3hp1A1 PRO 122 HB3 0.03 0.00 0.12 -0.04 2.02 2.13 3hp1A1 PRO 122 HG2 -0.01 0.05 0.06 -0.04 2.03 2.09 3hp1A1 PRO 122 HG3 0.01 -0.03 0.03 -0.04 2.03 2.00 3hp1A1 PRO 122 HD2 0.01 0.18 0.14 -0.04 3.68 3.97 3hp1A1 PRO 122 HD3 0.02 0.30 -0.45 -0.04 3.65 3.49 3hp1A1 VAL 123 H 0.12 0.44 0.29 -0.55 8.24 8.55 3hp1A1 VAL 123 HA -0.26 0.27 0.91 -0.75 4.13 4.29 3hp1A1 VAL 123 HB -0.65 -0.10 0.04 -0.04 2.12 1.38 3hp1A1 VAL 123 HG13 -1.10 -0.02 -0.22 -0.04 0.97 -0.41 3hp1A1 VAL 123 HG23 -0.12 0.04 -0.18 -0.04 0.95 0.65 3hp1A1 LEU 124 H -0.40 0.82 0.28 -0.55 8.37 8.52 3hp1A1 LEU 124 HA -0.11 0.21 0.95 -0.75 4.35 4.64 3hp1A1 LEU 124 HB2 -0.10 0.02 -0.12 -0.04 1.64 1.40 3hp1A1 LEU 124 HB3 -0.29 0.01 0.12 -0.04 1.64 1.44 3hp1A1 LEU 124 HG 0.10 -0.05 -0.24 -0.04 1.64 1.42 3hp1A1 LEU 124 HD13 0.09 -0.00 -0.15 -0.04 0.93 0.83 3hp1A1 LEU 124 HD23 0.12 0.00 -0.16 -0.04 0.89 0.81 3hp1A1 PHE 125 H 0.07 0.71 0.34 -0.55 8.34 8.91 3hp1A1 PHE 125 HA -0.10 0.31 0.98 -0.75 4.62 5.06 3hp1A1 PHE 125 HB2 0.04 -0.05 0.16 -0.04 3.15 3.26 3hp1A1 PHE 125 HB3 0.07 -0.04 -0.02 -0.04 3.06 3.03 3hp1A1 PHE 125 HD2 -0.02 0.07 -0.13 -0.04 7.28 7.16 3hp1A1 PHE 125 HE2 -0.46 0.00 -0.16 -0.04 7.38 6.73 3hp1A1 PHE 125 HZ -1.28 0.02 -0.14 -0.04 7.32 5.88 3hp1A1 PHE 126 H 0.14 0.74 0.41 -0.55 8.34 9.07 3hp1A1 PHE 126 HA 0.10 0.13 0.88 -0.75 4.62 4.97 3hp1A1 PHE 126 HB2 0.13 -0.13 0.09 -0.04 3.15 3.20 3hp1A1 PHE 126 HB3 0.11 0.22 0.02 -0.04 3.06 3.37 3hp1A1 PHE 126 HD2 0.07 -0.04 -0.13 -0.04 7.28 7.14 3hp1A1 PHE 126 HE2 0.02 0.09 -0.06 -0.04 7.38 7.38 3hp1A1 PHE 126 HZ -0.00 0.09 -0.07 -0.04 7.32 7.29 3hp1A1 GLU 127 H 0.21 0.62 0.21 -0.55 8.60 9.09 3hp1A1 GLU 127 HA 0.20 0.03 0.89 -0.75 4.29 4.66 3hp1A1 GLU 127 HB2 0.10 0.24 0.26 -0.04 2.09 2.65 3hp1A1 GLU 127 HB3 0.10 -0.11 0.12 -0.04 1.99 2.06 3hp1A1 GLU 127 HG2 0.14 0.02 0.05 -0.04 2.34 2.51 3hp1A1 GLU 127 HG3 0.11 0.09 -0.06 -0.04 2.34 2.44 3hp1A1 ARG 128 H 0.24 0.55 0.27 -0.55 8.46 8.97 3hp1A1 ARG 128 HA 0.32 -0.01 0.31 -0.75 4.34 4.21 3hp1A1 ARG 128 HB2 0.20 0.18 0.03 -0.04 1.90 2.27 3hp1A1 ARG 128 HB3 0.28 -0.16 0.20 -0.04 1.80 2.07 3hp1A1 ARG 128 HG2 0.31 0.06 0.16 -0.04 1.67 2.17 3hp1A1 ARG 128 HG3 0.22 -0.05 -0.10 -0.04 1.67 1.69 3hp1A1 ARG 128 HD2 0.18 -0.00 -0.03 -0.04 3.22 3.33 3hp1A1 ARG 128 HD3 0.47 -0.07 0.02 -0.04 3.22 3.60 3hp1A1 SER 129 H 0.27 0.11 0.21 -0.55 8.46 8.51 3hp1A1 SER 129 HA 0.10 0.34 0.67 -0.75 4.49 4.84 3hp1A1 SER 129 HB2 0.17 0.02 0.11 -0.04 3.95 4.21 3hp1A1 SER 129 HB3 0.37 0.23 -0.22 -0.04 3.93 4.27 3hp1A1 VAL 130 H -0.16 0.34 0.12 -0.55 8.24 8.00 3hp1A1 VAL 130 HA 0.02 0.08 0.49 -0.75 4.13 3.97 3hp1A1 VAL 130 HB -0.26 0.02 0.04 -0.04 2.12 1.88 3hp1A1 VAL 130 HG13 -0.23 0.05 0.04 -0.04 0.97 0.79 3hp1A1 VAL 130 HG23 -0.80 0.03 0.01 -0.04 0.95 0.15 3hp1A1 TYR 131 H -0.28 0.13 -0.28 -0.55 8.29 7.31 3hp1A1 TYR 131 HA 0.22 0.12 0.34 -0.75 4.56 4.48 3hp1A1 TYR 131 HB2 0.08 0.00 0.01 -0.04 3.06 3.12 3hp1A1 TYR 131 HB3 -0.09 0.06 -0.02 -0.04 2.98 2.90 3hp1A1 TYR 131 HD2 0.07 -0.02 -0.04 -0.04 7.15 7.13 3hp1A1 TYR 131 HE2 -0.79 0.07 -0.03 -0.04 6.85 6.06 3hp1A1 SER 132 H 0.21 0.12 -0.10 -0.55 8.46 8.14 3hp1A1 SER 132 HA -0.19 0.10 0.48 -0.75 4.49 4.12 3hp1A1 SER 132 HB2 0.32 0.00 0.02 -0.04 3.95 4.26 3hp1A1 SER 132 HB3 0.29 0.08 0.05 -0.04 3.93 4.31 3hp1A1 ALA 133 H 0.21 0.56 -0.17 -0.55 8.40 8.45 3hp1A1 ALA 133 HA 0.30 -0.03 0.31 -0.75 4.34 4.17 3hp1A1 ALA 133 HB3 0.21 0.06 0.09 -0.04 1.41 1.73 3hp1A1 ARG 134 H 0.14 0.41 -0.38 -0.55 8.46 8.08 3hp1A1 ARG 134 HA 0.18 0.01 0.42 -0.75 4.34 4.20 3hp1A1 ARG 134 HB2 -0.56 0.01 0.05 -0.04 1.90 1.35 3hp1A1 ARG 134 HB3 -0.42 0.08 0.16 -0.04 1.80 1.58 3hp1A1 ARG 134 HG2 -1.14 0.03 -0.30 -0.04 1.67 0.21 3hp1A1 ARG 134 HG3 -0.07 -0.06 -0.10 -0.04 1.67 1.40 3hp1A1 ARG 134 HD2 -0.79 -0.00 -0.04 -0.04 3.22 2.34 3hp1A1 ARG 134 HD3 -0.91 0.00 -0.05 -0.04 3.22 2.23 3hp1A1 TYR 135 H 0.01 0.99 0.21 -0.55 8.29 8.95 3hp1A1 TYR 135 HA 0.03 0.08 0.29 -0.75 4.56 4.21 3hp1A1 TYR 135 HB2 -0.43 0.05 0.02 -0.04 3.06 2.66 3hp1A1 TYR 135 HB3 -0.27 0.02 0.03 -0.04 2.98 2.72 3hp1A1 TYR 135 HD2 0.02 0.06 0.07 -0.04 7.15 7.26 3hp1A1 TYR 135 HE2 0.33 0.03 -0.00 -0.04 6.85 7.16 3hp1A1 ILE 136 H -0.03 0.39 -0.31 -0.55 8.25 7.76 3hp1A1 ILE 136 HA -0.19 0.21 0.87 -0.75 4.18 4.31 3hp1A1 ILE 136 HB -0.22 -0.00 0.12 -0.04 1.89 1.75 3hp1A1 ILE 136 HG12 -0.36 -0.06 -0.20 -0.04 1.49 0.83 3hp1A1 ILE 136 HG13 -0.31 -0.08 -0.05 -0.04 1.21 0.73 3hp1A1 ILE 136 HG23 -0.69 -0.01 -0.13 -0.04 0.93 0.06 3hp1A1 ILE 136 HD13 -0.31 0.03 -0.29 -0.04 0.88 0.27 3hp1A1 PHE 137 H 0.18 0.45 0.06 -0.55 8.34 8.48 3hp1A1 PHE 137 HA 0.02 0.04 0.37 -0.75 4.62 4.30 3hp1A1 PHE 137 HB2 0.09 0.15 0.20 -0.04 3.15 3.54 3hp1A1 PHE 137 HB3 0.12 -0.02 0.01 -0.04 3.06 3.14 3hp1A1 PHE 137 HD2 0.17 0.03 -0.10 -0.04 7.28 7.35 3hp1A1 PHE 137 HE2 0.26 -0.02 -0.04 -0.04 7.38 7.55 3hp1A1 PHE 137 HZ 0.27 -0.01 -0.02 -0.04 7.32 7.51 3hp1A1 ALA 138 H 0.10 0.64 0.17 -0.55 8.40 8.76 3hp1A1 ALA 138 HA -0.07 -0.01 0.36 -0.75 4.34 3.87 3hp1A1 ALA 138 HB3 -0.31 0.02 0.10 -0.04 1.41 1.18 3hp1A1 SER 139 H -0.09 0.42 -0.26 -0.55 8.46 7.98 3hp1A1 SER 139 HA -0.99 -0.01 0.37 -0.75 4.49 3.10 3hp1A1 SER 139 HB2 0.03 -0.01 0.05 -0.04 3.95 3.97 3hp1A1 SER 139 HB3 -0.06 0.08 -0.22 -0.04 3.93 3.68 3hp1A1 ASN 140 H -0.14 0.50 -0.32 -0.55 8.53 8.03 3hp1A1 ASN 140 HA -0.13 0.02 0.41 -0.75 4.76 4.30 3hp1A1 ASN 140 HB2 -0.16 0.09 0.09 -0.04 2.88 2.86 3hp1A1 ASN 140 HB3 -0.09 0.12 0.12 -0.04 2.79 2.89 3hp1A1 ASN 140 HD21 -0.26 -0.03 -0.04 -0.04 7.03 6.65 3hp1A1 ASN 140 HD22 -0.19 0.02 -0.07 -0.04 7.74 7.46 3hp1A1 LEU 141 H -0.06 0.45 -0.16 -0.55 8.37 8.05 3hp1A1 LEU 141 HA 0.03 0.06 0.57 -0.75 4.35 4.26 3hp1A1 LEU 141 HB2 0.00 0.12 0.07 -0.04 1.64 1.79 3hp1A1 LEU 141 HB3 0.04 -0.07 -0.06 -0.04 1.64 1.51 3hp1A1 LEU 141 HG 0.18 0.05 0.03 -0.04 1.64 1.86 3hp1A1 LEU 141 HD13 0.15 -0.01 -0.05 -0.04 0.93 0.98 3hp1A1 LEU 141 HD23 0.17 -0.00 -0.00 -0.04 0.89 1.01 3hp1A1 TYR 142 H -0.22 0.58 -0.11 -0.55 8.29 7.99 3hp1A1 TYR 142 HA -0.21 -0.02 0.62 -0.75 4.56 4.20 3hp1A1 TYR 142 HB2 -0.78 -0.08 0.06 -0.04 3.06 2.22 3hp1A1 TYR 142 HB3 -1.10 0.20 0.17 -0.04 2.98 2.20 3hp1A1 TYR 142 HD2 -0.49 0.12 -0.06 -0.04 7.15 6.67 3hp1A1 TYR 142 HE2 -0.02 -0.06 -0.10 -0.04 6.85 6.63 3hp1A1 GLU 143 H -0.29 0.44 -0.18 -0.55 8.60 8.02 3hp1A1 GLU 143 HA -0.56 0.05 0.46 -0.75 4.29 3.49 3hp1A1 GLU 143 HB2 -0.18 0.07 0.14 -0.04 2.09 2.09 3hp1A1 GLU 143 HB3 -0.17 -0.04 0.05 -0.04 1.99 1.80 3hp1A1 GLU 143 HG2 -0.20 -0.04 0.03 -0.04 2.34 2.09 3hp1A1 GLU 143 HG3 -0.20 0.08 0.04 -0.04 2.34 2.22 3hp1A1 SER 144 H -0.14 0.30 -0.30 -0.55 8.46 7.77 3hp1A1 SER 144 HA -0.08 0.11 0.65 -0.75 4.49 4.42 3hp1A1 SER 144 HB2 -0.00 -0.04 0.14 -0.04 3.95 4.01 3hp1A1 SER 144 HB3 0.01 -0.05 0.16 -0.04 3.93 4.01 3hp1A1 GLU 145 H -0.23 0.38 -0.71 -0.55 8.60 7.50 3hp1A1 GLU 145 HA -0.13 0.15 0.29 -0.75 4.29 3.85 3hp1A1 GLU 145 HB2 -0.06 0.15 0.05 -0.04 2.09 2.18 3hp1A1 GLU 145 HB3 -0.06 -0.09 0.15 -0.04 1.99 1.95 3hp1A1 GLU 145 HG2 -0.17 0.10 -0.07 -0.04 2.34 2.16 3hp1A1 GLU 145 HG3 -0.09 0.02 -0.24 -0.04 2.34 1.99 3hp1A1 CYS 146 H -0.04 0.37 -0.32 -0.55 8.50 7.97 3hp1A1 CYS 146 HA -0.00 0.07 0.64 -0.75 4.58 4.54 3hp1A1 CYS 146 HB2 0.03 -0.03 0.01 -0.04 2.97 2.94 3hp1A1 CYS 146 HB3 0.03 0.04 -0.13 -0.04 2.97 2.87 3hp1A1 MET 147 H 0.02 0.32 -0.11 -0.55 8.47 8.14 3hp1A1 MET 147 HA 0.09 0.12 0.74 -0.75 4.52 4.72 3hp1A1 MET 147 HB2 0.11 -0.01 -0.12 -0.04 2.15 2.08 3hp1A1 MET 147 HB3 0.24 0.00 -0.10 -0.04 2.03 2.14 3hp1A1 MET 147 HG2 0.23 -0.04 0.00 -0.04 2.63 2.78 3hp1A1 MET 147 HG3 0.13 0.00 -0.28 -0.04 2.56 2.37 3hp1A1 MET 147 HE3 -0.04 0.00 -0.10 -0.04 2.10 1.92 3hp1A1 ASN 148 H 0.07 0.08 0.10 -0.55 8.53 8.24 3hp1A1 ASN 148 HA 0.12 0.29 0.69 -0.75 4.76 5.11 3hp1A1 ASN 148 HB2 0.05 -0.03 0.20 -0.04 2.88 3.05 3hp1A1 ASN 148 HB3 0.02 0.17 0.09 -0.04 2.79 3.04 3hp1A1 ASN 148 HD21 -0.05 0.03 0.04 -0.04 7.03 7.01 3hp1A1 ASN 148 HD22 -0.02 0.11 0.05 -0.04 7.74 7.85 3hp1A1 GLU 149 H 0.14 0.23 0.17 -0.55 8.60 8.59 3hp1A1 GLU 149 HA 0.24 0.13 0.31 -0.75 4.29 4.21 3hp1A1 GLU 149 HB2 0.09 -0.03 0.13 -0.04 2.09 2.24 3hp1A1 GLU 149 HB3 0.10 0.04 0.01 -0.04 1.99 2.10 3hp1A1 GLU 149 HG2 0.17 0.00 0.12 -0.04 2.34 2.59 3hp1A1 GLU 149 HG3 0.11 0.05 0.06 -0.04 2.34 2.52 3hp1A1 THR 150 H 0.05 0.08 -0.16 -0.55 8.28 7.70 3hp1A1 THR 150 HA 0.00 0.12 0.40 -0.75 4.39 4.16 3hp1A1 THR 150 HB -0.05 -0.02 0.06 -0.04 4.32 4.27 3hp1A1 THR 150 HG23 -0.06 0.02 -0.04 -0.04 1.22 1.10 3hp1A1 GLU 151 H 0.01 0.04 -0.22 -0.55 8.60 7.88 3hp1A1 GLU 151 HA -0.26 0.06 0.37 -0.75 4.29 3.71 3hp1A1 GLU 151 HB2 0.10 0.01 0.15 -0.04 2.09 2.31 3hp1A1 GLU 151 HB3 0.23 0.01 0.02 -0.04 1.99 2.20 3hp1A1 GLU 151 HG2 -0.57 0.03 0.04 -0.04 2.34 1.81 3hp1A1 GLU 151 HG3 -0.20 -0.04 0.05 -0.04 2.34 2.11 3hp1A1 TRP 152 H 0.28 0.63 -0.18 -0.55 7.97 8.14 3hp1A1 TRP 152 HA 0.03 -0.01 0.30 -0.75 4.62 4.20 3hp1A1 TRP 152 HB2 -0.28 0.03 -0.03 -0.04 3.23 2.92 3hp1A1 TRP 152 HB3 -0.37 0.05 0.05 -0.04 3.23 2.93 3hp1A1 TRP 152 HD1 -0.91 0.01 -0.08 -0.04 7.22 6.20 3hp1A1 TRP 152 HE1 -0.24 0.03 -0.06 -0.04 10.20 9.88 3hp1A1 TRP 152 HE3 -0.14 -0.04 -0.04 -0.04 7.59 7.33 3hp1A1 TRP 152 HZ2 -0.07 0.04 -0.05 -0.04 7.44 7.32 3hp1A1 TRP 152 HZ3 -0.47 -0.05 -0.15 -0.04 7.13 6.42 3hp1A1 TRP 152 HH2 -0.18 0.09 -0.10 -0.04 7.19 6.95 3hp1A1 THR 153 H 0.05 0.67 -0.08 -0.55 8.28 8.36 3hp1A1 THR 153 HA -0.25 0.00 0.48 -0.75 4.39 3.87 3hp1A1 THR 153 HB -0.02 0.06 0.15 -0.04 4.32 4.47 3hp1A1 THR 153 HG23 -0.05 -0.02 -0.02 -0.04 1.22 1.09 3hp1A1 ILE 154 H 0.05 0.62 -0.07 -0.55 8.25 8.30 3hp1A1 ILE 154 HA 0.06 0.02 0.39 -0.75 4.18 3.90 3hp1A1 ILE 154 HB 0.08 0.06 0.15 -0.04 1.89 2.15 3hp1A1 ILE 154 HG12 -0.01 -0.02 0.02 -0.04 1.49 1.44 3hp1A1 ILE 154 HG13 -0.02 0.04 0.07 -0.04 1.21 1.26 3hp1A1 ILE 154 HG23 0.17 -0.01 -0.14 -0.04 0.93 0.91 3hp1A1 ILE 154 HD13 -0.14 -0.02 -0.07 -0.04 0.88 0.60 3hp1A1 TYR 155 H 0.39 0.70 -0.06 -0.55 8.29 8.77 3hp1A1 TYR 155 HA 0.17 -0.01 0.42 -0.75 4.56 4.38 3hp1A1 TYR 155 HB2 0.28 -0.01 0.08 -0.04 3.06 3.37 3hp1A1 TYR 155 HB3 0.19 0.12 0.14 -0.04 2.98 3.39 3hp1A1 TYR 155 HD2 -0.19 0.04 -0.19 -0.04 7.15 6.77 3hp1A1 TYR 155 HE2 -0.00 0.00 -0.23 -0.04 6.85 6.58 3hp1A1 GLN 156 H -0.13 0.62 -0.14 -0.55 8.47 8.27 3hp1A1 GLN 156 HA -0.14 -0.02 0.38 -0.75 4.36 3.83 3hp1A1 GLN 156 HB2 -0.39 0.12 0.17 -0.04 2.15 2.01 3hp1A1 GLN 156 HB3 -0.31 -0.05 -0.01 -0.04 2.02 1.62 3hp1A1 GLN 156 HG2 -0.93 -0.07 -0.00 -0.04 2.40 1.35 3hp1A1 GLN 156 HG3 -1.62 0.11 0.06 -0.04 2.39 0.90 3hp1A1 GLN 156 HE21 -0.72 -0.04 -0.11 -0.04 6.97 6.06 3hp1A1 GLN 156 HE22 -0.86 0.10 -0.19 -0.04 7.69 6.69 3hp1A1 ASP 157 H -0.02 0.61 -0.07 -0.55 8.40 8.38 3hp1A1 ASP 157 HA 0.03 0.00 0.44 -0.75 4.63 4.34 3hp1A1 ASP 157 HB2 -0.01 0.02 0.12 -0.04 2.71 2.80 3hp1A1 ASP 157 HB3 0.05 0.11 0.17 -0.04 2.70 3.00 3hp1A1 TRP 158 H 0.27 0.63 -0.15 -0.55 7.97 8.17 3hp1A1 TRP 158 HA 0.05 0.02 0.60 -0.75 4.62 4.54 3hp1A1 TRP 158 HB2 -0.02 -0.01 0.10 -0.04 3.23 3.25 3hp1A1 TRP 158 HB3 -0.10 0.15 0.19 -0.04 3.23 3.44 3hp1A1 TRP 158 HD1 -0.02 0.00 0.02 -0.04 7.22 7.18 3hp1A1 TRP 158 HE1 0.04 0.01 -0.01 -0.04 10.20 10.19 3hp1A1 TRP 158 HE3 -0.52 0.20 0.02 -0.04 7.59 7.25 3hp1A1 TRP 158 HZ2 -0.06 -0.02 0.02 -0.04 7.44 7.34 3hp1A1 TRP 158 HZ3 -0.36 -0.04 -0.01 -0.04 7.13 6.68 3hp1A1 TRP 158 HH2 -0.14 -0.13 -0.05 -0.04 7.19 6.83 3hp1A1 HIS 159 H 0.19 0.58 -0.10 -0.55 8.41 8.54 3hp1A1 HIS 159 HA -0.59 -0.01 0.35 -0.75 4.63 3.63 3hp1A1 HIS 159 HB2 -0.22 0.17 0.16 -0.04 3.26 3.33 3hp1A1 HIS 159 HB3 -0.07 0.07 0.16 -0.04 3.20 3.31 3hp1A1 HIS 159 HD2 -0.01 -0.01 -0.02 -0.04 6.97 6.89 3hp1A1 HIS 159 HE1 0.00 -0.07 -0.17 -0.04 7.75 7.47 3hp1A1 ASP 160 H 0.08 0.70 -0.02 -0.55 8.40 8.61 3hp1A1 ASP 160 HA 0.12 -0.02 0.40 -0.75 4.63 4.39 3hp1A1 ASP 160 HB2 0.07 0.13 0.11 -0.04 2.71 2.98 3hp1A1 ASP 160 HB3 0.04 -0.03 -0.03 -0.04 2.70 2.64 3hp1A1 TRP 161 H 0.13 0.39 -0.35 -0.55 7.97 7.59 3hp1A1 TRP 161 HA -0.13 0.02 0.47 -0.75 4.62 4.23 3hp1A1 TRP 161 HB2 -0.08 0.09 0.16 -0.04 3.23 3.36 3hp1A1 TRP 161 HB3 -0.18 0.07 0.20 -0.04 3.23 3.28 3hp1A1 TRP 161 HD1 -0.07 -0.01 0.02 -0.04 7.22 7.13 3hp1A1 TRP 161 HE1 -0.06 0.00 -0.00 -0.04 10.20 10.09 3hp1A1 TRP 161 HE3 -0.23 0.04 -0.14 -0.04 7.59 7.22 3hp1A1 TRP 161 HZ2 -0.06 0.00 -0.02 -0.04 7.44 7.33 3hp1A1 TRP 161 HZ3 0.02 -0.01 -0.04 -0.04 7.13 7.06 3hp1A1 TRP 161 HH2 0.00 0.01 -0.02 -0.04 7.19 7.13 3hp1A1 MET 162 H -0.22 0.71 0.04 -0.55 8.47 8.45 3hp1A1 MET 162 HA -0.35 -0.01 0.51 -0.75 4.52 3.91 3hp1A1 MET 162 HB2 -0.75 0.18 0.15 -0.04 2.15 1.70 3hp1A1 MET 162 HB3 -0.43 -0.06 -0.03 -0.04 2.03 1.47 3hp1A1 MET 162 HG2 -1.06 0.11 0.08 -0.04 2.63 1.71 3hp1A1 MET 162 HG3 -1.62 -0.07 -0.02 -0.04 2.56 0.81 3hp1A1 MET 162 HE3 0.28 -0.01 0.00 -0.04 2.10 2.34 3hp1A1 ASN 163 H -0.22 0.34 -0.52 -0.55 8.53 7.58 3hp1A1 ASN 163 HA -0.14 0.05 0.36 -0.75 4.76 4.27 3hp1A1 ASN 163 HB2 0.06 0.13 0.07 -0.04 2.88 3.10 3hp1A1 ASN 163 HB3 0.14 0.06 0.11 -0.04 2.79 3.06 3hp1A1 ASN 163 HD21 -0.27 -0.04 -0.06 -0.04 7.03 6.61 3hp1A1 ASN 163 HD22 -0.12 0.01 -0.07 -0.04 7.74 7.51 3hp1A1 ASN 164 H -0.20 0.58 0.08 -0.55 8.53 8.45 3hp1A1 ASN 164 HA -0.12 0.01 0.55 -0.75 4.76 4.45 3hp1A1 ASN 164 HB2 -0.17 -0.01 0.09 -0.04 2.88 2.75 3hp1A1 ASN 164 HB3 -0.09 -0.04 0.11 -0.04 2.79 2.74 3hp1A1 ASN 164 HD21 -0.04 -0.07 -0.06 -0.04 7.03 6.83 3hp1A1 ASN 164 HD22 -0.05 -0.06 0.02 -0.04 7.74 7.60 3hp1A1 GLN 165 H -0.74 0.43 -0.24 -0.55 8.47 7.37 3hp1A1 GLN 165 HA -0.65 0.06 0.65 -0.75 4.36 3.67 3hp1A1 GLN 165 HB2 -2.02 0.03 0.12 -0.04 2.15 0.24 3hp1A1 GLN 165 HB3 -1.51 -0.04 0.04 -0.04 2.02 0.47 3hp1A1 GLN 165 HG2 -1.81 0.52 0.13 -0.04 2.40 1.19 3hp1A1 GLN 165 HG3 -2.22 -0.08 -0.00 -0.04 2.39 0.04 3hp1A1 GLN 165 HE21 -0.46 -0.03 -0.04 -0.04 6.97 6.39 3hp1A1 GLN 165 HE22 -1.05 0.06 0.00 -0.04 7.69 6.66 3hp1A1 PHE 166 H -0.55 0.52 -0.08 -0.55 8.34 7.67 3hp1A1 PHE 166 HA -0.13 0.17 0.89 -0.75 4.62 4.80 3hp1A1 PHE 166 HB2 -0.17 0.01 0.15 -0.04 3.15 3.10 3hp1A1 PHE 166 HB3 -0.12 -0.02 0.11 -0.04 3.06 3.00 3hp1A1 PHE 166 HD2 -0.19 0.09 -0.01 -0.04 7.28 7.13 3hp1A1 PHE 166 HE2 -0.15 -0.02 -0.01 -0.04 7.38 7.16 3hp1A1 PHE 166 HZ -0.08 -0.02 -0.02 -0.04 7.32 7.16 3hp1A1 GLY 167 H -0.12 0.23 -0.19 -0.55 8.43 7.81 3hp1A1 GLY 167 HA2 -0.01 0.01 0.55 -0.51 4.01 4.04 3hp1A1 GLY 167 HA3 0.00 0.12 0.37 -0.51 4.01 3.99 3hp1A1 GLN 168 H -0.03 0.18 0.04 -0.55 8.47 8.11 3hp1A1 GLN 168 HA -0.04 0.04 0.32 -0.75 4.36 3.92 3hp1A1 GLN 168 HB2 -0.04 -0.00 0.13 -0.04 2.15 2.20 3hp1A1 GLN 168 HB3 -0.03 0.03 0.07 -0.04 2.02 2.04 3hp1A1 GLN 168 HG2 -0.05 -0.00 0.07 -0.04 2.40 2.37 3hp1A1 GLN 168 HG3 -0.04 -0.01 0.03 -0.04 2.39 2.32 3hp1A1 GLN 168 HE21 -0.03 0.04 -0.04 -0.04 6.97 6.90 3hp1A1 GLN 168 HE22 -0.04 -0.03 -0.01 -0.04 7.69 7.57 3hp1A1 SER 169 H 0.01 0.06 -0.33 -0.55 8.46 7.64 3hp1A1 SER 169 HA 0.01 0.12 0.39 -0.75 4.49 4.25 3hp1A1 SER 169 HB2 0.03 0.04 0.01 -0.04 3.95 3.99 3hp1A1 SER 169 HB3 0.02 -0.01 0.05 -0.04 3.93 3.95 3hp1A1 LEU 170 H 0.04 0.43 -0.47 -0.55 8.37 7.83 3hp1A1 LEU 170 HA 0.19 0.22 0.77 -0.75 4.35 4.76 3hp1A1 LEU 170 HB2 0.03 0.07 0.13 -0.04 1.64 1.83 3hp1A1 LEU 170 HB3 0.12 -0.16 0.14 -0.04 1.64 1.70 3hp1A1 LEU 170 HG 0.02 0.08 -0.07 -0.04 1.64 1.62 3hp1A1 LEU 170 HD13 -0.12 -0.04 0.04 -0.04 0.93 0.77 3hp1A1 LEU 170 HD23 0.01 0.01 -0.18 -0.04 0.89 0.68 3hp1A1 GLU 171 H 0.02 0.36 -0.23 -0.55 8.60 8.21 3hp1A1 GLU 171 HA 0.16 -0.14 0.34 -0.75 4.29 3.91 3hp1A1 GLU 171 HB2 -0.14 0.14 0.10 -0.04 2.09 2.15 3hp1A1 GLU 171 HB3 -0.43 -0.00 -0.01 -0.04 1.99 1.50 3hp1A1 GLU 171 HG2 -0.09 -0.10 -0.05 -0.04 2.34 2.05 3hp1A1 GLU 171 HG3 -0.08 0.10 0.03 -0.04 2.34 2.35 3hp1A1 LEU 172 H 0.40 -0.03 0.17 -0.55 8.37 8.37 3hp1A1 LEU 172 HA 0.06 0.19 0.60 -0.75 4.35 4.45 3hp1A1 LEU 172 HB2 0.27 -0.05 0.05 -0.04 1.64 1.86 3hp1A1 LEU 172 HB3 0.15 0.09 0.11 -0.04 1.64 1.95 3hp1A1 LEU 172 HG 0.53 -0.06 0.08 -0.04 1.64 2.15 3hp1A1 LEU 172 HD13 0.39 -0.05 -0.01 -0.04 0.93 1.21 3hp1A1 LEU 172 HD23 0.28 0.03 -0.14 -0.04 0.89 1.02 3hp1A1 ASP 173 H -0.03 0.64 0.46 -0.55 8.40 8.92 3hp1A1 ASP 173 HA 0.02 0.13 0.86 -0.75 4.63 4.88 3hp1A1 ASP 173 HB2 -0.10 0.01 0.13 -0.04 2.71 2.71 3hp1A1 ASP 173 HB3 -0.07 0.02 0.16 -0.04 2.70 2.77 3hp1A1 GLY 174 H 0.04 0.21 0.25 -0.55 8.43 8.38 3hp1A1 GLY 174 HA2 0.13 0.32 0.66 -0.51 4.01 4.60 3hp1A1 GLY 174 HA3 0.13 0.02 0.20 -0.51 4.01 3.85 3hp1A1 ILE 175 H 0.22 0.59 0.32 -0.55 8.25 8.83 3hp1A1 ILE 175 HA 0.08 0.12 0.99 -0.75 4.18 4.62 3hp1A1 ILE 175 HB -0.13 0.12 0.04 -0.04 1.89 1.88 3hp1A1 ILE 175 HG12 0.08 -0.08 0.00 -0.04 1.49 1.46 3hp1A1 ILE 175 HG13 0.03 0.03 -0.51 -0.04 1.21 0.71 3hp1A1 ILE 175 HG23 -0.20 -0.04 -0.21 -0.04 0.93 0.44 3hp1A1 ILE 175 HD13 -0.20 -0.01 -0.11 -0.04 0.88 0.52 3hp1A1 ILE 176 H 0.05 0.81 0.38 -0.55 8.25 8.94 3hp1A1 ILE 176 HA -0.22 0.26 1.01 -0.75 4.18 4.47 3hp1A1 ILE 176 HB 0.00 -0.06 0.15 -0.04 1.89 1.95 3hp1A1 ILE 176 HG12 -0.25 0.04 -0.05 -0.04 1.49 1.18 3hp1A1 ILE 176 HG13 0.10 -0.04 -0.38 -0.04 1.21 0.84 3hp1A1 ILE 176 HG23 -0.27 -0.01 -0.16 -0.04 0.93 0.45 3hp1A1 ILE 176 HD13 0.28 0.00 -0.14 -0.04 0.88 0.98 3hp1A1 TYR 177 H -0.07 0.88 0.27 -0.55 8.29 8.81 3hp1A1 TYR 177 HA -0.11 0.13 0.80 -0.75 4.56 4.62 3hp1A1 TYR 177 HB2 -0.20 0.02 -0.09 -0.04 3.06 2.75 3hp1A1 TYR 177 HB3 -0.18 0.03 0.11 -0.04 2.98 2.90 3hp1A1 TYR 177 HD2 -0.12 0.10 -0.23 -0.04 7.15 6.86 3hp1A1 TYR 177 HE2 -0.16 -0.06 -0.15 -0.04 6.85 6.44 3hp1A1 LEU 178 H -0.05 0.72 0.29 -0.55 8.37 8.79 3hp1A1 LEU 178 HA -0.29 0.17 0.75 -0.75 4.35 4.23 3hp1A1 LEU 178 HB2 -0.11 -0.10 0.12 -0.04 1.64 1.51 3hp1A1 LEU 178 HB3 -0.16 0.02 -0.14 -0.04 1.64 1.33 3hp1A1 LEU 178 HG -0.28 0.08 -0.09 -0.04 1.64 1.31 3hp1A1 LEU 178 HD13 -0.18 -0.03 -0.26 -0.04 0.93 0.42 3hp1A1 LEU 178 HD23 -0.78 0.02 -0.19 -0.04 0.89 -0.10 3hp1A1 GLN 179 H -0.37 0.90 0.32 -0.55 8.47 8.77 3hp1A1 GLN 179 HA -0.60 0.04 0.65 -0.75 4.36 3.70 3hp1A1 GLN 179 HB2 -0.96 0.06 -0.11 -0.04 2.15 1.10 3hp1A1 GLN 179 HB3 -0.34 -0.01 0.02 -0.04 2.02 1.65 3hp1A1 GLN 179 HG2 -0.15 -0.07 -0.26 -0.04 2.40 1.88 3hp1A1 GLN 179 HG3 -0.31 -0.00 -0.07 -0.04 2.39 1.96 3hp1A1 GLN 179 HE21 -0.02 0.05 -0.08 -0.04 6.97 6.87 3hp1A1 GLN 179 HE22 0.01 -0.03 -0.09 -0.04 7.69 7.54 3hp1A1 ALA 180 H -0.09 0.28 0.20 -0.55 8.40 8.24 3hp1A1 ALA 180 HA -0.06 0.04 0.53 -0.75 4.34 4.09 3hp1A1 ALA 180 HB3 -0.03 0.03 -0.11 -0.04 1.41 1.25 3hp1A1 THR 181 H -0.06 0.13 0.12 -0.55 8.28 7.91 3hp1A1 THR 181 HA -0.31 0.20 0.49 -0.75 4.39 4.01 3hp1A1 THR 181 HB -0.14 0.03 0.14 -0.04 4.32 4.31 3hp1A1 THR 181 HG23 -0.07 0.04 0.07 -0.04 1.22 1.22 3hp1A1 PRO 182 HA -0.03 0.11 0.50 -0.51 4.44 4.50 3hp1A1 PRO 182 HB2 -0.02 0.04 -0.08 -0.04 2.28 2.18 3hp1A1 PRO 182 HB3 -0.02 0.10 -0.18 -0.04 2.02 1.88 3hp1A1 PRO 182 HG2 -0.14 0.01 0.10 -0.04 2.03 1.96 3hp1A1 PRO 182 HG3 -0.20 0.10 0.10 -0.04 2.03 1.99 3hp1A1 PRO 182 HD2 -0.56 0.08 0.27 -0.04 3.68 3.42 3hp1A1 PRO 182 HD3 -1.04 0.21 0.20 -0.04 3.65 2.97 3hp1A1 GLU 183 H -0.07 0.11 -0.25 -0.55 8.60 7.85 3hp1A1 GLU 183 HA 0.00 0.10 0.36 -0.75 4.29 4.00 3hp1A1 GLU 183 HB2 -0.03 -0.01 0.04 -0.04 2.09 2.04 3hp1A1 GLU 183 HB3 -0.02 0.08 0.02 -0.04 1.99 2.03 3hp1A1 GLU 183 HG2 -0.02 0.08 0.01 -0.04 2.34 2.37 3hp1A1 GLU 183 HG3 -0.01 0.01 -0.01 -0.04 2.34 2.29 3hp1A1 THR 184 H -0.02 0.06 -0.25 -0.55 8.28 7.52 3hp1A1 THR 184 HA 0.05 0.08 0.43 -0.75 4.39 4.20 3hp1A1 THR 184 HB -0.00 0.07 0.08 -0.04 4.32 4.43 3hp1A1 THR 184 HG23 0.05 0.04 -0.08 -0.04 1.22 1.19 3hp1A1 CYS 185 H 0.02 0.44 -0.20 -0.55 8.50 8.20 3hp1A1 CYS 185 HA 0.05 0.13 0.31 -0.75 4.58 4.32 3hp1A1 CYS 185 HB2 0.04 0.04 0.10 -0.04 2.97 3.11 3hp1A1 CYS 185 HB3 0.07 0.19 -0.03 -0.04 2.97 3.15 3hp1A1 LEU 186 H 0.05 0.54 -0.17 -0.55 8.37 8.25 3hp1A1 LEU 186 HA 0.07 0.03 0.32 -0.75 4.35 4.02 3hp1A1 LEU 186 HB2 0.05 -0.03 0.09 -0.04 1.64 1.71 3hp1A1 LEU 186 HB3 0.05 0.11 0.12 -0.04 1.64 1.88 3hp1A1 LEU 186 HG 0.05 0.02 -0.12 -0.04 1.64 1.55 3hp1A1 LEU 186 HD13 0.05 -0.01 -0.02 -0.04 0.93 0.90 3hp1A1 LEU 186 HD23 0.02 -0.03 0.01 -0.04 0.89 0.85 3hp1A1 HIS 187 H 0.15 0.41 -0.27 -0.55 8.41 8.15 3hp1A1 HIS 187 HA 0.05 0.03 0.52 -0.75 4.63 4.48 3hp1A1 HIS 187 HB2 0.01 -0.01 0.13 -0.04 3.26 3.35 3hp1A1 HIS 187 HB3 0.03 0.17 0.18 -0.04 3.20 3.54 3hp1A1 HIS 187 HD2 0.04 0.02 -0.04 -0.04 6.97 6.95 3hp1A1 HIS 187 HE1 0.06 0.01 0.00 -0.04 7.75 7.77 3hp1A1 ARG 188 H 0.09 0.50 -0.15 -0.55 8.46 8.35 3hp1A1 ARG 188 HA -0.08 -0.01 0.51 -0.75 4.34 4.00 3hp1A1 ARG 188 HB2 0.03 0.12 0.16 -0.04 1.90 2.18 3hp1A1 ARG 188 HB3 0.01 -0.13 0.13 -0.04 1.80 1.76 3hp1A1 ARG 188 HG2 0.07 -0.13 -0.03 -0.04 1.67 1.54 3hp1A1 ARG 188 HG3 0.07 0.11 -0.08 -0.04 1.67 1.72 3hp1A1 ARG 188 HD2 0.02 -0.11 -0.01 -0.04 3.22 3.08 3hp1A1 ARG 188 HD3 0.07 -0.06 -0.03 -0.04 3.22 3.15 3hp1A1 ILE 189 H 0.05 0.50 -0.26 -0.55 8.25 7.99 3hp1A1 ILE 189 HA 0.02 -0.06 0.50 -0.75 4.18 3.88 3hp1A1 ILE 189 HB 0.05 0.22 0.10 -0.04 1.89 2.22 3hp1A1 ILE 189 HG12 0.04 -0.15 -0.10 -0.04 1.49 1.24 3hp1A1 ILE 189 HG13 0.06 0.17 -0.13 -0.04 1.21 1.27 3hp1A1 ILE 189 HG23 0.01 0.01 -0.20 -0.04 0.93 0.70 3hp1A1 ILE 189 HD13 0.06 -0.00 -0.09 -0.04 0.88 0.80 3hp1A1 TYR 190 H 0.12 0.33 -0.24 -0.55 8.29 7.95 3hp1A1 TYR 190 HA -0.04 0.05 0.48 -0.75 4.56 4.29 3hp1A1 TYR 190 HB2 -0.01 -0.00 0.12 -0.04 3.06 3.12 3hp1A1 TYR 190 HB3 -0.09 0.20 0.22 -0.04 2.98 3.28 3hp1A1 TYR 190 HD2 -0.11 0.02 -0.03 -0.04 7.15 6.99 3hp1A1 TYR 190 HE2 0.00 -0.02 -0.03 -0.04 6.85 6.75 3hp1A1 LEU 191 H -0.08 0.42 -0.03 -0.55 8.37 8.13 3hp1A1 LEU 191 HA -0.31 0.05 0.36 -0.75 4.35 3.70 3hp1A1 LEU 191 HB2 -0.12 -0.00 0.13 -0.04 1.64 1.62 3hp1A1 LEU 191 HB3 -0.11 -0.03 -0.00 -0.04 1.64 1.46 3hp1A1 LEU 191 HG -0.50 0.20 0.02 -0.04 1.64 1.32 3hp1A1 LEU 191 HD13 -0.06 -0.02 -0.03 -0.04 0.93 0.77 3hp1A1 LEU 191 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.78 3hp1A1 ARG 192 H -0.08 0.45 -0.20 -0.55 8.46 8.08 3hp1A1 ARG 192 HA -0.07 0.02 0.36 -0.75 4.34 3.90 3hp1A1 ARG 192 HB2 -0.04 -0.04 0.10 -0.04 1.90 1.88 3hp1A1 ARG 192 HB3 -0.03 0.10 0.16 -0.04 1.80 1.99 3hp1A1 ARG 192 HG2 -0.01 -0.10 -0.02 -0.04 1.67 1.50 3hp1A1 ARG 192 HG3 -0.03 -0.11 -0.26 -0.04 1.67 1.23 3hp1A1 ARG 192 HD2 -0.04 0.11 0.06 -0.04 3.22 3.30 3hp1A1 ARG 192 HD3 -0.03 -0.04 0.00 -0.04 3.22 3.11 3hp1A1 GLY 193 H -0.10 0.42 -0.32 -0.55 8.43 7.88 3hp1A1 GLY 193 HA2 -0.10 0.07 0.21 -0.51 4.01 3.68 3hp1A1 GLY 193 HA3 -0.11 0.10 0.32 -0.51 4.01 3.81 3hp1A1 ARG 194 H -0.03 0.09 -0.19 -0.55 8.46 7.78 3hp1A1 ARG 194 HA -0.01 0.10 0.56 -0.75 4.34 4.24 3hp1A1 ARG 194 HB2 0.00 0.06 0.02 -0.04 1.90 1.94 3hp1A1 ARG 194 HB3 0.01 -0.05 0.09 -0.04 1.80 1.81 3hp1A1 ARG 194 HG2 0.04 -0.17 -0.16 -0.04 1.67 1.34 3hp1A1 ARG 194 HG3 0.02 0.09 -0.01 -0.04 1.67 1.73 3hp1A1 ARG 194 HD2 0.07 -0.03 -0.06 -0.04 3.22 3.16 3hp1A1 ARG 194 HD3 0.09 0.01 -0.09 -0.04 3.22 3.18 3hp1A1 ASN 195 H -0.00 0.22 0.20 -0.55 8.53 8.40 3hp1A1 ASN 195 HA -0.01 0.13 0.19 -0.75 4.76 4.32 3hp1A1 ASN 195 HB2 0.01 -0.08 0.11 -0.04 2.88 2.87 3hp1A1 ASN 195 HB3 0.00 0.04 0.01 -0.04 2.79 2.79 3hp1A1 ASN 195 HD21 -0.01 0.04 0.05 -0.04 7.03 7.08 3hp1A1 ASN 195 HD22 -0.00 -0.01 0.04 -0.04 7.74 7.72 3hp1A1 GLU 196 H 0.03 0.08 -0.17 -0.55 8.60 8.00 3hp1A1 GLU 196 HA 0.03 0.11 0.29 -0.75 4.29 3.97 3hp1A1 GLU 196 HB2 0.11 -0.01 -0.08 -0.04 2.09 2.06 3hp1A1 GLU 196 HB3 0.18 0.05 -0.15 -0.04 1.99 2.03 3hp1A1 GLU 196 HG2 0.07 -0.14 -0.09 -0.04 2.34 2.13 3hp1A1 GLU 196 HG3 0.04 0.06 0.01 -0.04 2.34 2.41 3hp1A1 GLU 197 H -0.03 0.41 -0.42 -0.55 8.60 8.02 3hp1A1 GLU 197 HA -0.43 0.14 0.59 -0.75 4.29 3.84 3hp1A1 GLU 197 HB2 -0.03 0.14 0.02 -0.04 2.09 2.19 3hp1A1 GLU 197 HB3 -0.08 -0.01 0.06 -0.04 1.99 1.92 3hp1A1 GLU 197 HG2 -0.09 0.01 -0.06 -0.04 2.34 2.16 3hp1A1 GLU 197 HG3 0.06 -0.07 -0.18 -0.04 2.34 2.11 3hp1A1 GLN 198 H -0.05 0.42 -0.28 -0.55 8.47 8.01 3hp1A1 GLN 198 HA -0.02 0.07 0.24 -0.75 4.36 3.89 3hp1A1 GLN 198 HB2 -0.01 0.09 0.04 -0.04 2.15 2.23 3hp1A1 GLN 198 HB3 0.01 -0.02 0.00 -0.04 2.02 1.97 3hp1A1 GLN 198 HG2 -0.02 0.04 -0.22 -0.04 2.40 2.16 3hp1A1 GLN 198 HG3 -0.01 -0.01 -0.10 -0.04 2.39 2.23 3hp1A1 GLN 198 HE21 -0.02 0.47 -0.03 -0.04 6.97 7.34 3hp1A1 GLN 198 HE22 -0.02 0.21 -0.36 -0.04 7.69 7.48 3hp1A1 GLY 199 H -0.09 0.13 -0.35 -0.55 8.43 7.57 3hp1A1 GLY 199 HA2 -0.03 0.12 0.58 -0.51 4.01 4.17 3hp1A1 GLY 199 HA3 -0.05 0.02 0.23 -0.51 4.01 3.70 3hp1A1 ILE 200 H -0.15 0.41 -0.35 -0.55 8.25 7.62 3hp1A1 ILE 200 HA -0.16 0.05 0.35 -0.75 4.18 3.67 3hp1A1 ILE 200 HB -0.06 0.07 0.10 -0.04 1.89 1.96 3hp1A1 ILE 200 HG12 -0.53 -0.03 0.02 -0.04 1.49 0.91 3hp1A1 ILE 200 HG13 -0.56 -0.00 0.05 -0.04 1.21 0.65 3hp1A1 ILE 200 HG23 0.14 -0.03 -0.12 -0.04 0.93 0.87 3hp1A1 ILE 200 HD13 -0.28 -0.01 0.03 -0.04 0.88 0.57 3hp1A1 PRO 201 HA 0.03 0.19 0.67 -0.51 4.44 4.82 3hp1A1 PRO 201 HB2 0.06 -0.19 0.07 -0.04 2.28 2.17 3hp1A1 PRO 201 HB3 0.03 0.16 0.15 -0.04 2.02 2.31 3hp1A1 PRO 201 HG2 0.10 -0.21 0.10 -0.04 2.03 1.98 3hp1A1 PRO 201 HG3 0.02 0.15 0.12 -0.04 2.03 2.28 3hp1A1 PRO 201 HD2 -0.01 -0.03 0.24 -0.04 3.68 3.84 3hp1A1 PRO 201 HD3 -0.05 0.34 0.28 -0.04 3.65 4.18 3hp1A1 LEU 202 H 0.05 0.23 0.16 -0.55 8.37 8.26 3hp1A1 LEU 202 HA 0.07 0.08 0.44 -0.75 4.35 4.19 3hp1A1 LEU 202 HB2 0.03 0.10 0.14 -0.04 1.64 1.87 3hp1A1 LEU 202 HB3 0.04 -0.01 0.12 -0.04 1.64 1.75 3hp1A1 LEU 202 HG 0.04 -0.03 -0.16 -0.04 1.64 1.45 3hp1A1 LEU 202 HD13 0.03 -0.02 -0.12 -0.04 0.93 0.77 3hp1A1 LEU 202 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 3hp1A1 GLU 203 H 0.07 0.15 -0.11 -0.55 8.60 8.16 3hp1A1 GLU 203 HA 0.08 0.04 0.37 -0.75 4.29 4.02 3hp1A1 GLU 203 HB2 0.05 0.03 0.10 -0.04 2.09 2.23 3hp1A1 GLU 203 HB3 0.09 0.02 0.04 -0.04 1.99 2.10 3hp1A1 GLU 203 HG2 0.08 0.03 -0.19 -0.04 2.34 2.22 3hp1A1 GLU 203 HG3 0.05 -0.02 0.04 -0.04 2.34 2.37 3hp1A1 TYR 204 H 0.21 0.23 -0.29 -0.55 8.29 7.90 3hp1A1 TYR 204 HA 0.06 0.07 0.45 -0.75 4.56 4.38 3hp1A1 TYR 204 HB2 0.06 0.02 0.12 -0.04 3.06 3.22 3hp1A1 TYR 204 HB3 0.06 0.14 0.10 -0.04 2.98 3.24 3hp1A1 TYR 204 HD2 0.10 0.01 -0.05 -0.04 7.15 7.17 3hp1A1 TYR 204 HE2 0.22 -0.01 -0.05 -0.04 6.85 6.97 3hp1A1 LEU 205 H 0.18 0.39 -0.08 -0.55 8.37 8.32 3hp1A1 LEU 205 HA 0.04 -0.03 0.49 -0.75 4.35 4.10 3hp1A1 LEU 205 HB2 0.09 0.13 0.16 -0.04 1.64 1.97 3hp1A1 LEU 205 HB3 0.08 -0.09 0.07 -0.04 1.64 1.65 3hp1A1 LEU 205 HG 0.19 0.05 -0.04 -0.04 1.64 1.81 3hp1A1 LEU 205 HD13 0.08 0.01 -0.13 -0.04 0.93 0.86 3hp1A1 LEU 205 HD23 0.15 -0.01 0.00 -0.04 0.89 0.99 3hp1A1 GLU 206 H 0.09 0.64 -0.11 -0.55 8.60 8.67 3hp1A1 GLU 206 HA 0.13 -0.03 0.54 -0.75 4.29 4.18 3hp1A1 GLU 206 HB2 0.12 0.12 0.16 -0.04 2.09 2.44 3hp1A1 GLU 206 HB3 0.26 -0.01 0.03 -0.04 1.99 2.23 3hp1A1 GLU 206 HG2 0.07 -0.10 0.03 -0.04 2.34 2.30 3hp1A1 GLU 206 HG3 0.08 0.07 -0.12 -0.04 2.34 2.33 3hp1A1 LYS 207 H 0.06 0.58 -0.03 -0.55 8.42 8.48 3hp1A1 LYS 207 HA 0.12 0.01 0.41 -0.75 4.32 4.11 3hp1A1 LYS 207 HB2 -0.10 0.12 0.17 -0.04 1.87 2.03 3hp1A1 LYS 207 HB3 -0.04 -0.02 0.05 -0.04 1.79 1.73 3hp1A1 LYS 207 HG2 0.01 -0.05 0.05 -0.04 1.46 1.43 3hp1A1 LYS 207 HG3 0.03 0.22 0.12 -0.04 1.46 1.80 3hp1A1 LYS 207 HD2 -0.01 0.01 0.01 -0.04 1.69 1.66 3hp1A1 LYS 207 HD3 -0.02 0.00 0.00 -0.04 1.68 1.62 3hp1A1 LYS 207 HE2 0.00 0.04 -0.02 -0.04 2.99 2.97 3hp1A1 LYS 207 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 3hp1A1 LEU 208 H -0.10 0.44 -0.14 -0.55 8.37 8.03 3hp1A1 LEU 208 HA -0.15 0.04 0.42 -0.75 4.35 3.90 3hp1A1 LEU 208 HB2 -0.01 0.11 0.16 -0.04 1.64 1.86 3hp1A1 LEU 208 HB3 0.00 -0.10 0.01 -0.04 1.64 1.51 3hp1A1 LEU 208 HG -0.50 0.24 0.06 -0.04 1.64 1.40 3hp1A1 LEU 208 HD13 0.06 -0.03 -0.01 -0.04 0.93 0.91 3hp1A1 LEU 208 HD23 -0.60 -0.01 -0.07 -0.04 0.89 0.18 3hp1A1 HIS 209 H 0.17 0.57 -0.20 -0.55 8.41 8.40 3hp1A1 HIS 209 HA 0.10 -0.04 0.51 -0.75 4.63 4.45 3hp1A1 HIS 209 HB2 -0.02 0.01 0.20 -0.04 3.26 3.41 3hp1A1 HIS 209 HB3 -0.08 0.22 0.30 -0.04 3.20 3.59 3hp1A1 HIS 209 HD2 -0.97 0.04 -0.06 -0.04 6.97 5.93 3hp1A1 HIS 209 HE1 -0.08 -0.03 -0.09 -0.04 7.75 7.51 3hp1A1 TYR 210 H 0.24 0.55 -0.03 -0.55 8.29 8.50 3hp1A1 TYR 210 HA -0.05 -0.01 0.40 -0.75 4.56 4.15 3hp1A1 TYR 210 HB2 0.04 0.11 0.14 -0.04 3.06 3.31 3hp1A1 TYR 210 HB3 0.04 -0.01 0.04 -0.04 2.98 3.01 3hp1A1 TYR 210 HD2 0.10 0.13 0.00 -0.04 7.15 7.34 3hp1A1 TYR 210 HE2 0.10 -0.02 -0.00 -0.04 6.85 6.89 3hp1A1 LYS 211 H 0.06 0.44 -0.20 -0.55 8.42 8.18 3hp1A1 LYS 211 HA 0.04 0.06 0.55 -0.75 4.32 4.22 3hp1A1 LYS 211 HB2 -0.13 0.04 0.14 -0.04 1.87 1.88 3hp1A1 LYS 211 HB3 -0.11 0.00 0.04 -0.04 1.79 1.68 3hp1A1 LYS 211 HG2 -0.01 -0.01 0.03 -0.04 1.46 1.42 3hp1A1 LYS 211 HG3 -0.00 0.06 0.05 -0.04 1.46 1.53 3hp1A1 LYS 211 HD2 -0.08 -0.04 -0.01 -0.04 1.69 1.52 3hp1A1 LYS 211 HD3 -0.14 -0.02 0.03 -0.04 1.68 1.52 3hp1A1 LYS 211 HE2 -0.09 -0.10 0.02 -0.04 2.99 2.78 3hp1A1 LYS 211 HE3 -0.10 0.07 0.24 -0.04 2.99 3.16 3hp1A1 HIS 212 H 0.05 0.58 -0.12 -0.55 8.41 8.36 3hp1A1 HIS 212 HA 0.10 0.01 0.50 -0.75 4.63 4.49 3hp1A1 HIS 212 HB2 -0.00 0.16 0.21 -0.04 3.26 3.59 3hp1A1 HIS 212 HB3 -0.16 -0.05 -0.04 -0.04 3.20 2.91 3hp1A1 HIS 212 HD2 0.15 0.01 -0.07 -0.04 6.97 7.01 3hp1A1 HIS 212 HE1 -0.03 -0.04 -0.13 -0.04 7.75 7.52 3hp1A1 GLU 213 H -0.09 0.59 -0.13 -0.55 8.60 8.42 3hp1A1 GLU 213 HA -0.14 -0.01 0.27 -0.75 4.29 3.65 3hp1A1 GLU 213 HB2 -0.10 0.09 0.13 -0.04 2.09 2.17 3hp1A1 GLU 213 HB3 -0.21 -0.03 0.03 -0.04 1.99 1.74 3hp1A1 GLU 213 HG2 -0.49 0.09 0.07 -0.04 2.34 1.97 3hp1A1 GLU 213 HG3 -0.82 -0.03 -0.06 -0.04 2.34 1.39 3hp1A1 SER 214 H 0.08 0.72 -0.08 -0.55 8.46 8.63 3hp1A1 SER 214 HA 0.24 -0.01 0.51 -0.75 4.49 4.47 3hp1A1 SER 214 HB2 0.15 0.03 0.11 -0.04 3.95 4.19 3hp1A1 SER 214 HB3 0.10 0.10 0.15 -0.04 3.93 4.24 3hp1A1 TRP 215 H 0.17 0.43 -0.35 -0.55 7.97 7.67 3hp1A1 TRP 215 HA -0.07 0.00 0.52 -0.75 4.62 4.31 3hp1A1 TRP 215 HB2 -0.09 0.00 0.03 -0.04 3.23 3.13 3hp1A1 TRP 215 HB3 -0.16 0.05 0.13 -0.04 3.23 3.21 3hp1A1 TRP 215 HD1 -0.11 0.09 -0.02 -0.04 7.22 7.14 3hp1A1 TRP 215 HE1 -0.17 0.02 -0.11 -0.04 10.20 9.91 3hp1A1 TRP 215 HE3 -0.12 0.02 -0.08 -0.04 7.59 7.36 3hp1A1 TRP 215 HZ2 -0.03 0.02 -0.10 -0.04 7.44 7.28 3hp1A1 TRP 215 HZ3 0.12 -0.10 -0.08 -0.04 7.13 7.03 3hp1A1 TRP 215 HH2 0.18 -0.10 -0.10 -0.04 7.19 7.13 3hp1A1 LEU 216 H -0.19 0.59 0.07 -0.55 8.37 8.29 3hp1A1 LEU 216 HA -0.58 0.26 0.63 -0.75 4.35 3.91 3hp1A1 LEU 216 HB2 -1.01 0.01 -0.04 -0.04 1.64 0.55 3hp1A1 LEU 216 HB3 -0.66 -0.01 -0.05 -0.04 1.64 0.88 3hp1A1 LEU 216 HG -0.60 -0.03 -0.09 -0.04 1.64 0.88 3hp1A1 LEU 216 HD13 -0.62 -0.04 -0.13 -0.04 0.93 0.10 3hp1A1 LEU 216 HD23 -1.86 0.04 -0.21 -0.04 0.89 -1.18 3hp1A1 LEU 217 H -0.21 0.27 0.06 -0.55 8.37 7.94 3hp1A1 LEU 217 HA -0.12 0.23 0.91 -0.75 4.35 4.61 3hp1A1 LEU 217 HB2 -0.10 -0.12 0.03 -0.04 1.64 1.41 3hp1A1 LEU 217 HB3 -0.52 0.06 0.19 -0.04 1.64 1.32 3hp1A1 LEU 217 HG -0.19 0.06 -0.13 -0.04 1.64 1.34 3hp1A1 LEU 217 HD13 -0.02 0.00 -0.02 -0.04 0.93 0.84 3hp1A1 LEU 217 HD23 -0.27 -0.03 -0.05 -0.04 0.89 0.50 3hp1A1 HIS 218 H -0.25 0.55 0.22 -0.55 8.41 8.38 3hp1A1 HIS 218 HA 0.00 0.13 0.57 -0.75 4.63 4.57 3hp1A1 HIS 218 HB2 0.02 -0.05 0.10 -0.04 3.26 3.30 3hp1A1 HIS 218 HB3 0.02 0.02 0.09 -0.04 3.20 3.29 3hp1A1 HIS 218 HD2 0.05 -0.05 -0.20 -0.04 6.97 6.72 3hp1A1 HIS 218 HE1 0.04 -0.01 -0.06 -0.04 7.75 7.67 3hp1A1 ARG 219 H -0.02 -0.07 -0.60 -0.55 8.46 7.22 3hp1A1 ARG 219 HA 0.00 0.21 0.18 -0.75 4.34 3.98 3hp1A1 ARG 219 HB2 0.00 0.06 -0.01 -0.04 1.90 1.91 3hp1A1 ARG 219 HB3 -0.02 0.02 0.12 -0.04 1.80 1.87 3hp1A1 ARG 219 HG2 -0.13 -0.01 -0.31 -0.04 1.67 1.18 3hp1A1 ARG 219 HG3 -0.05 0.06 -0.48 -0.04 1.67 1.16 3hp1A1 ARG 219 HD2 -0.09 -0.01 -0.07 -0.04 3.22 3.00 3hp1A1 ARG 219 HD3 -0.04 -0.03 -0.06 -0.04 3.22 3.05 3hp1A1 THR 220 H 0.11 0.32 -0.15 -0.55 8.28 8.02 3hp1A1 THR 220 HA 0.05 0.23 0.75 -0.75 4.39 4.67 3hp1A1 THR 220 HB 0.05 -0.07 0.06 -0.04 4.32 4.31 3hp1A1 THR 220 HG23 0.05 0.05 -0.09 -0.04 1.22 1.19 3hp1A1 LEU 221 H 0.13 0.24 -0.18 -0.55 8.37 8.00 3hp1A1 LEU 221 HA 0.05 0.02 0.42 -0.75 4.35 4.08 3hp1A1 LEU 221 HB2 0.11 -0.08 -0.23 -0.04 1.64 1.39 3hp1A1 LEU 221 HB3 0.15 -0.00 -0.06 -0.04 1.64 1.69 3hp1A1 LEU 221 HG 0.01 0.00 -0.04 -0.04 1.64 1.57 3hp1A1 LEU 221 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.81 3hp1A1 LEU 221 HD23 -0.25 -0.01 -0.43 -0.04 0.89 0.16 3hp1A1 LYS 222 H 0.01 0.10 0.16 -0.55 8.42 8.14 3hp1A1 LYS 222 HA -0.03 0.11 0.61 -0.75 4.32 4.26 3hp1A1 THR 223 H -0.12 0.22 0.12 -0.55 8.28 7.95 3hp1A1 THR 223 HA -0.57 0.19 0.80 -0.75 4.39 4.06 3hp1A1 ASN 224 H -0.08 0.14 0.09 -0.55 8.53 8.14 3hp1A1 ASN 224 HA -0.15 0.20 0.62 -0.75 4.76 4.67 3hp1A1 ASN 224 HB2 -0.11 -0.03 0.08 -0.04 2.88 2.77 3hp1A1 ASN 224 HB3 -0.74 0.01 0.03 -0.04 2.79 2.05 3hp1A1 ASN 224 HD21 -0.08 0.02 -0.00 -0.04 7.03 6.92 3hp1A1 ASN 224 HD22 -0.12 -0.02 -0.00 -0.04 7.74 7.56 3hp1A1 PHE 225 H -0.03 0.08 -0.44 -0.55 8.34 7.38 3hp1A1 PHE 225 HA 0.08 0.19 0.78 -0.75 4.62 4.92 3hp1A1 PHE 225 HB2 -0.22 -0.01 0.10 -0.04 3.15 2.98 3hp1A1 PHE 225 HB3 0.03 0.03 -0.00 -0.04 3.06 3.07 3hp1A1 PHE 225 HD2 0.19 -0.00 -0.04 -0.04 7.28 7.39 3hp1A1 PHE 225 HE2 0.40 0.03 -0.08 -0.04 7.38 7.69 3hp1A1 PHE 225 HZ 0.30 0.04 -0.10 -0.04 7.32 7.51 3hp1A1 ASP 226 H 0.09 0.26 0.06 -0.55 8.40 8.26 3hp1A1 ASP 226 HA 0.02 0.11 0.31 -0.75 4.63 4.32 3hp1A1 ASP 226 HB2 0.10 -0.04 0.14 -0.04 2.71 2.87 3hp1A1 ASP 226 HB3 0.07 0.07 -0.04 -0.04 2.70 2.75 3hp1A1 TYR 227 H 0.32 0.08 -0.17 -0.55 8.29 7.96 3hp1A1 TYR 227 HA 0.02 0.10 0.19 -0.75 4.56 4.11 3hp1A1 TYR 227 HB2 0.02 0.10 0.06 -0.04 3.06 3.20 3hp1A1 TYR 227 HB3 0.05 -0.04 0.07 -0.04 2.98 3.02 3hp1A1 TYR 227 HD2 0.06 -0.01 -0.10 -0.04 7.15 7.06 3hp1A1 TYR 227 HE2 0.03 0.10 -0.01 -0.04 6.85 6.93 3hp1A1 LEU 228 H -0.48 0.22 -0.47 -0.55 8.37 7.09 3hp1A1 LEU 228 HA -0.56 0.06 0.30 -0.75 4.35 3.39 3hp1A1 LEU 228 HB2 -0.24 0.16 0.07 -0.04 1.64 1.59 3hp1A1 LEU 228 HB3 -0.10 0.04 -0.02 -0.04 1.64 1.52 3hp1A1 LEU 228 HG -0.99 -0.07 0.00 -0.04 1.64 0.54 3hp1A1 LEU 228 HD13 -0.65 -0.04 -0.02 -0.04 0.93 0.18 3hp1A1 LEU 228 HD23 -0.81 0.01 -0.03 -0.04 0.89 0.02 3hp1A1 GLN 229 H -0.08 0.45 -0.24 -0.55 8.47 8.05 3hp1A1 GLN 229 HA -0.04 0.12 0.40 -0.75 4.36 4.09 3hp1A1 GLN 229 HB2 -0.02 -0.06 0.11 -0.04 2.15 2.14 3hp1A1 GLN 229 HB3 -0.01 0.00 0.01 -0.04 2.02 1.98 3hp1A1 GLN 229 HG2 0.00 -0.07 0.03 -0.04 2.40 2.32 3hp1A1 GLN 229 HG3 -0.01 0.05 0.15 -0.04 2.39 2.54 3hp1A1 GLN 229 HE21 0.02 0.03 -0.14 -0.04 6.97 6.84 3hp1A1 GLN 229 HE22 0.01 -0.08 -0.01 -0.04 7.69 7.57 3hp1A1 GLU 230 H -0.02 0.34 -0.31 -0.55 8.60 8.06 3hp1A1 GLU 230 HA -0.00 0.17 0.85 -0.75 4.29 4.56 3hp1A1 VAL 231 H -0.03 0.12 -0.13 -0.55 8.24 7.65 3hp1A1 VAL 231 HA 0.05 0.09 0.35 -0.75 4.13 3.86 3hp1A1 VAL 231 HB 0.00 -0.06 0.03 -0.04 2.12 2.05 3hp1A1 VAL 231 HG13 -0.10 0.11 -0.04 -0.04 0.97 0.89 3hp1A1 VAL 231 HG23 0.08 0.02 -0.30 -0.04 0.95 0.71 3hp1A1 PRO 232 HA 0.07 0.06 0.58 -0.51 4.44 4.64 3hp1A1 PRO 232 HB2 0.16 -0.05 0.06 -0.04 2.28 2.41 3hp1A1 PRO 232 HB3 0.14 -0.01 0.10 -0.04 2.02 2.21 3hp1A1 PRO 232 HG2 -0.04 0.06 0.13 -0.04 2.03 2.14 3hp1A1 PRO 232 HG3 0.01 0.04 0.13 -0.04 2.03 2.17 3hp1A1 PRO 232 HD2 0.03 0.34 0.29 -0.04 3.68 4.30 3hp1A1 PRO 232 HD3 0.03 0.12 0.26 -0.04 3.65 4.02 3hp1A1 ILE 233 H 0.06 0.23 0.19 -0.55 8.25 8.19 3hp1A1 ILE 233 HA -0.08 0.22 0.97 -0.75 4.18 4.54 3hp1A1 ILE 233 HB -0.11 0.03 0.12 -0.04 1.89 1.89 3hp1A1 ILE 233 HG12 -0.27 -0.15 -0.10 -0.04 1.49 0.94 3hp1A1 ILE 233 HG13 -0.13 0.18 -0.50 -0.04 1.21 0.72 3hp1A1 ILE 233 HG23 -0.17 -0.03 -0.26 -0.04 0.93 0.43 3hp1A1 ILE 233 HD13 -0.33 0.00 -0.02 -0.04 0.88 0.49 3hp1A1 LEU 234 H -0.59 0.67 0.36 -0.55 8.37 8.26 3hp1A1 LEU 234 HA -0.31 0.15 0.94 -0.75 4.35 4.38 3hp1A1 LEU 234 HB2 -1.68 0.06 0.06 -0.04 1.64 0.04 3hp1A1 LEU 234 HB3 -0.88 -0.04 0.20 -0.04 1.64 0.87 3hp1A1 LEU 234 HG -0.26 -0.06 -0.35 -0.04 1.64 0.92 3hp1A1 LEU 234 HD13 -0.13 0.00 0.01 -0.04 0.93 0.77 3hp1A1 LEU 234 HD23 -0.18 -0.01 -0.17 -0.04 0.89 0.49 3hp1A1 THR 235 H -0.14 0.24 0.10 -0.55 8.28 7.93 3hp1A1 THR 235 HA -0.11 0.19 0.99 -0.75 4.39 4.70 3hp1A1 THR 235 HB -0.07 -0.01 0.15 -0.04 4.32 4.34 3hp1A1 THR 235 HG23 -0.13 -0.03 -0.15 -0.04 1.22 0.88 3hp1A1 LEU 236 H -0.23 0.71 0.29 -0.55 8.37 8.59 3hp1A1 LEU 236 HA -0.12 0.17 0.94 -0.75 4.35 4.59 3hp1A1 LEU 236 HB2 -0.22 -0.06 0.02 -0.04 1.64 1.35 3hp1A1 LEU 236 HB3 -0.10 0.02 -0.06 -0.04 1.64 1.45 3hp1A1 LEU 236 HG -0.19 0.00 -0.33 -0.04 1.64 1.08 3hp1A1 LEU 236 HD13 -0.16 -0.01 -0.13 -0.04 0.93 0.60 3hp1A1 LEU 236 HD23 -0.06 0.04 -0.10 -0.04 0.89 0.72 3hp1A1 ASP 237 H -0.09 0.20 0.13 -0.55 8.40 8.09 3hp1A1 ASP 237 HA -0.14 0.15 0.66 -0.75 4.63 4.55 3hp1A1 ASP 237 HB2 -0.08 0.06 0.07 -0.04 2.71 2.72 3hp1A1 ASP 237 HB3 -0.05 0.02 0.19 -0.04 2.70 2.81 3hp1A1 VAL 238 H -0.09 0.85 0.32 -0.55 8.24 8.77 3hp1A1 VAL 238 HA 0.01 0.21 0.91 -0.75 4.13 4.50 3hp1A1 VAL 238 HB 0.08 0.03 0.08 -0.04 2.12 2.27 3hp1A1 VAL 238 HG13 -0.04 0.02 -0.31 -0.04 0.97 0.59 3hp1A1 VAL 238 HG23 -0.05 0.01 -0.24 -0.04 0.95 0.62 3hp1A1 ASN 239 H -0.02 0.06 -0.11 -0.55 8.53 7.91 3hp1A1 ASN 239 HA 0.01 0.09 0.61 -0.75 4.76 4.72 3hp1A1 ASN 239 HB2 -0.02 0.02 0.06 -0.04 2.88 2.91 3hp1A1 ASN 239 HB3 -0.01 0.01 0.06 -0.04 2.79 2.81 3hp1A1 ASN 239 HD21 -0.05 -0.05 -0.02 -0.04 7.03 6.87 3hp1A1 ASN 239 HD22 -0.04 0.08 0.02 -0.04 7.74 7.76 3hp1A1 GLU 240 H 0.01 0.05 -0.22 -0.55 8.60 7.89 3hp1A1 GLU 240 HA 0.02 0.11 0.53 -0.75 4.29 4.20 3hp1A1 GLU 240 HB2 0.01 0.05 -0.05 -0.04 2.09 2.06 3hp1A1 GLU 240 HB3 0.01 -0.05 0.07 -0.04 1.99 1.98 3hp1A1 GLU 240 HG2 0.00 0.02 -0.06 -0.04 2.34 2.26 3hp1A1 GLU 240 HG3 -0.00 -0.07 -0.05 -0.04 2.34 2.18 3hp1A1 ASP 241 H 0.04 0.09 0.10 -0.55 8.40 8.08 3hp1A1 ASP 241 HA 0.10 0.14 0.47 -0.75 4.63 4.58 3hp1A1 ASP 241 HB2 0.05 0.06 0.17 -0.04 2.71 2.94 3hp1A1 ASP 241 HB3 0.05 -0.16 0.05 -0.04 2.70 2.60 3hp1A1 PHE 242 H 0.24 0.21 0.17 -0.55 8.34 8.40 3hp1A1 PHE 242 HA 0.07 0.11 0.38 -0.75 4.62 4.42 3hp1A1 PHE 242 HB2 0.05 0.07 0.12 -0.04 3.15 3.34 3hp1A1 PHE 242 HB3 0.03 0.00 0.01 -0.04 3.06 3.06 3hp1A1 PHE 242 HD2 0.05 0.02 -0.09 -0.04 7.28 7.22 3hp1A1 PHE 242 HE2 0.16 0.03 -0.06 -0.04 7.38 7.47 3hp1A1 PHE 242 HZ 0.17 0.07 -0.02 -0.04 7.32 7.50 3hp1A1 LYS 243 H 0.13 0.04 -0.29 -0.55 8.42 7.74 3hp1A1 LYS 243 HA 0.03 0.12 0.44 -0.75 4.32 4.16 3hp1A1 LYS 243 HB2 0.06 -0.01 0.08 -0.04 1.87 1.96 3hp1A1 LYS 243 HB3 0.04 -0.02 0.03 -0.04 1.79 1.79 3hp1A1 LYS 243 HG2 0.02 0.03 -0.07 -0.04 1.46 1.39 3hp1A1 LYS 243 HG3 0.02 0.03 0.04 -0.04 1.46 1.51 3hp1A1 LYS 243 HD2 0.02 0.02 0.00 -0.04 1.69 1.69 3hp1A1 LYS 243 HD3 0.03 -0.02 -0.01 -0.04 1.68 1.64 3hp1A1 LYS 243 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 3hp1A1 LYS 243 HE3 0.01 0.02 -0.01 -0.04 2.99 2.96 3hp1A1 ASP 244 H 0.02 0.16 -0.17 -0.55 8.40 7.85 3hp1A1 ASP 244 HA 0.01 0.27 1.00 -0.75 4.63 5.15 3hp1A1 ASP 244 HB2 0.01 -0.02 0.01 -0.04 2.71 2.67 3hp1A1 ASP 244 HB3 0.00 0.00 0.07 -0.04 2.70 2.73 3hp1A1 LYS 245 H -0.08 0.21 -0.34 -0.55 8.42 7.66 3hp1A1 LYS 245 HA -0.05 0.19 0.91 -0.75 4.32 4.62 3hp1A1 LYS 245 HB2 -0.09 0.07 -0.08 -0.04 1.87 1.73 3hp1A1 LYS 245 HB3 -0.06 -0.02 0.04 -0.04 1.79 1.71 3hp1A1 LYS 245 HG2 -0.01 0.12 -0.27 -0.04 1.46 1.25 3hp1A1 LYS 245 HG3 -0.01 -0.03 -0.15 -0.04 1.46 1.23 3hp1A1 LYS 245 HD2 -0.02 0.19 -0.05 -0.04 1.69 1.76 3hp1A1 LYS 245 HD3 -0.01 -0.05 -0.15 -0.04 1.68 1.43 3hp1A1 LYS 245 HE2 -0.02 -0.03 -0.02 -0.04 2.99 2.89 3hp1A1 LYS 245 HE3 -0.03 -0.01 0.03 -0.04 2.99 2.94 3hp1A1 TYR 246 H -0.14 0.26 -0.04 -0.55 8.29 7.82 3hp1A1 TYR 246 HA -0.51 0.05 0.40 -0.75 4.56 3.74 3hp1A1 TYR 246 HB2 -0.43 0.19 0.18 -0.04 3.06 2.96 3hp1A1 TYR 246 HB3 -0.17 -0.01 0.15 -0.04 2.98 2.91 3hp1A1 TYR 246 HD2 -0.14 -0.03 0.01 -0.04 7.15 6.95 3hp1A1 TYR 246 HE2 0.01 0.03 -0.03 -0.04 6.85 6.82 3hp1A1 GLU 247 H -0.04 0.15 -0.17 -0.55 8.60 7.99 3hp1A1 GLU 247 HA -0.46 0.07 0.22 -0.75 4.29 3.38 3hp1A1 SER 248 H -0.10 0.11 -0.30 -0.55 8.46 7.63 3hp1A1 SER 248 HA -0.06 0.05 0.57 -0.75 4.49 4.30 3hp1A1 SER 248 HB2 -0.04 -0.01 0.07 -0.04 3.95 3.93 3hp1A1 SER 248 HB3 -0.04 -0.02 0.08 -0.04 3.93 3.91 3hp1A1 LEU 249 H -0.11 0.67 0.00 -0.55 8.37 8.38 3hp1A1 LEU 249 HA 0.00 -0.02 0.39 -0.75 4.35 3.98 3hp1A1 LEU 249 HB2 -0.03 0.11 0.11 -0.04 1.64 1.79 3hp1A1 LEU 249 HB3 0.18 -0.05 -0.02 -0.04 1.64 1.71 3hp1A1 LEU 249 HG -0.07 0.20 -0.06 -0.04 1.64 1.67 3hp1A1 LEU 249 HD13 0.05 -0.02 -0.13 -0.04 0.93 0.79 3hp1A1 LEU 249 HD23 -0.01 -0.00 -0.06 -0.04 0.89 0.78 3hp1A1 VAL 250 H -0.21 0.58 -0.13 -0.55 8.24 7.94 3hp1A1 VAL 250 HA 0.01 0.01 0.37 -0.75 4.13 3.76 3hp1A1 VAL 250 HB -0.27 0.14 0.10 -0.04 2.12 2.04 3hp1A1 VAL 250 HG13 -0.06 -0.00 -0.10 -0.04 0.97 0.77 3hp1A1 VAL 250 HG23 -0.53 0.05 -0.02 -0.04 0.95 0.40 3hp1A1 GLU 251 H -0.06 0.40 -0.12 -0.55 8.60 8.28 3hp1A1 GLU 251 HA 0.02 0.03 0.44 -0.75 4.29 4.02 3hp1A1 GLU 251 HB2 0.01 -0.03 0.07 -0.04 2.09 2.10 3hp1A1 GLU 251 HB3 -0.02 0.01 0.13 -0.04 1.99 2.07 3hp1A1 GLU 251 HG2 -0.04 0.02 0.21 -0.04 2.34 2.50 3hp1A1 GLU 251 HG3 -0.01 0.07 0.14 -0.04 2.34 2.50 3hp1A1 LYS 252 H 0.01 0.52 -0.13 -0.55 8.42 8.27 3hp1A1 LYS 252 HA 0.05 -0.01 0.42 -0.75 4.32 4.03 3hp1A1 LYS 252 HB2 0.02 0.16 0.20 -0.04 1.87 2.21 3hp1A1 LYS 252 HB3 0.01 -0.04 -0.02 -0.04 1.79 1.69 3hp1A1 LYS 252 HG2 -0.01 -0.02 0.04 -0.04 1.46 1.44 3hp1A1 LYS 252 HG3 0.01 -0.04 0.04 -0.04 1.46 1.43 3hp1A1 LYS 252 HD2 -0.02 0.07 -0.09 -0.04 1.69 1.61 3hp1A1 LYS 252 HD3 -0.02 -0.04 -0.04 -0.04 1.68 1.54 3hp1A1 LYS 252 HE2 -0.02 0.00 0.01 -0.04 2.99 2.95 3hp1A1 LYS 252 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 3hp1A1 VAL 253 H 0.11 0.52 -0.16 -0.55 8.24 8.16 3hp1A1 VAL 253 HA 0.21 -0.00 0.41 -0.75 4.13 3.99 3hp1A1 VAL 253 HB 0.20 0.10 0.12 -0.04 2.12 2.49 3hp1A1 VAL 253 HG13 0.15 -0.01 -0.17 -0.04 0.97 0.89 3hp1A1 VAL 253 HG23 0.27 0.06 -0.06 -0.04 0.95 1.17 3hp1A1 LYS 254 H 0.17 0.68 0.02 -0.55 8.42 8.73 3hp1A1 LYS 254 HA 0.29 0.01 0.38 -0.75 4.32 4.25 3hp1A1 LYS 254 HB2 0.10 0.06 0.19 -0.04 1.87 2.17 3hp1A1 LYS 254 HB3 0.12 -0.04 0.01 -0.04 1.79 1.85 3hp1A1 LYS 254 HG2 0.24 -0.01 0.02 -0.04 1.46 1.67 3hp1A1 LYS 254 HG3 0.19 0.05 0.04 -0.04 1.46 1.71 3hp1A1 LYS 254 HD2 0.04 -0.03 -0.01 -0.04 1.69 1.65 3hp1A1 LYS 254 HD3 0.03 -0.00 0.00 -0.04 1.68 1.67 3hp1A1 LYS 254 HE2 0.02 -0.01 -0.05 -0.04 2.99 2.91 3hp1A1 LYS 254 HE3 -0.02 -0.06 -0.05 -0.04 2.99 2.82 3hp1A1 GLU 255 H 0.11 0.76 -0.13 -0.55 8.60 8.80 3hp1A1 GLU 255 HA 0.07 -0.01 0.38 -0.75 4.29 3.98 3hp1A1 GLU 255 HB2 0.06 0.09 0.11 -0.04 2.09 2.31 3hp1A1 GLU 255 HB3 0.10 0.04 0.12 -0.04 1.99 2.20 3hp1A1 GLU 255 HG2 0.04 -0.03 0.03 -0.04 2.34 2.34 3hp1A1 GLU 255 HG3 0.05 -0.05 -0.01 -0.04 2.34 2.29 3hp1A1 PHE 256 H 0.24 0.58 -0.09 -0.55 8.34 8.52 3hp1A1 PHE 256 HA 0.02 -0.04 0.37 -0.75 4.62 4.22 3hp1A1 PHE 256 HB2 0.02 -0.02 0.13 -0.04 3.15 3.24 3hp1A1 PHE 256 HB3 0.04 0.11 0.18 -0.04 3.06 3.35 3hp1A1 PHE 256 HD2 0.02 0.01 -0.09 -0.04 7.28 7.18 3hp1A1 PHE 256 HE2 -0.00 -0.05 -0.27 -0.04 7.38 7.02 3hp1A1 PHE 256 HZ -0.02 0.01 -0.17 -0.04 7.32 7.10 3hp1A1 LEU 257 H 0.12 0.54 -0.22 -0.55 8.37 8.26 3hp1A1 LEU 257 HA -0.29 0.01 0.32 -0.75 4.35 3.64 3hp1A1 LEU 257 HB2 0.12 0.10 0.05 -0.04 1.64 1.86 3hp1A1 LEU 257 HB3 -0.01 -0.02 -0.04 -0.04 1.64 1.54 3hp1A1 LEU 257 HG 0.13 0.10 -0.01 -0.04 1.64 1.81 3hp1A1 LEU 257 HD13 0.03 -0.03 -0.15 -0.04 0.93 0.73 3hp1A1 LEU 257 HD23 -0.15 -0.02 -0.12 -0.04 0.89 0.56 3hp1A1 SER 258 H 0.02 0.41 -0.21 -0.55 8.46 8.13 3hp1A1 SER 258 HA -0.00 0.02 0.43 -0.75 4.49 4.18 3hp1A1 SER 258 HB2 0.02 0.21 0.20 -0.04 3.95 4.33 3hp1A1 SER 258 HB3 0.01 -0.08 0.02 -0.04 3.93 3.83 3hp1A1 THR 259 H -0.08 0.32 -0.21 -0.55 8.28 7.76 3hp1A1 THR 259 HA -0.04 -0.01 0.28 -0.75 4.39 3.86 3hp1A1 THR 259 HB -0.04 -0.08 0.11 -0.04 4.32 4.27 3hp1A1 THR 259 HG23 0.00 0.02 0.04 -0.04 1.22 1.24 3hp1A1 LEU 260 H -0.18 0.38 -0.67 -0.55 8.37 7.35 3hp1A1 LEU 260 HA -0.14 0.10 0.26 -0.75 4.35 3.81 3hp1A1 LEU 260 HB2 -0.20 0.12 0.07 -0.04 1.64 1.58 3hp1A1 LEU 260 HB3 -0.18 -0.03 0.04 -0.04 1.64 1.43 3hp1A1 LEU 260 HG -0.59 0.19 -0.01 -0.04 1.64 1.19 3hp1A1 LEU 260 HD13 -0.40 -0.04 -0.16 -0.04 0.93 0.29 3hp1A1 LEU 260 HD23 -0.47 0.01 -0.08 -0.04 0.89 0.30