============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 13 0.900 97.419 73.210 10.560 -99.200 -91.000 HIS 36 0.900 123.977 83.297 25.791 -99.200 -91.000 TYR 62 0.840 109.957 76.253 27.359 -99.200 -91.000 PHE 70 1.000 97.365 81.839 22.085 -99.200 -91.000 TRP 75 1.040 94.407 89.884 17.683 -99.200 -91.000 TRP6 75 1.020 94.987 89.115 19.837 -99.200 -91.000 PHE 100 1.000 98.104 91.945 23.103 -99.200 -91.000 TYR 131 0.840 118.543 88.284 17.797 -99.200 -91.000 HIS 141 0.900 113.469 82.028 0.965 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3fpvH1 VAL 16 HA -0.00 -0.09 0.22 -0.75 4.13 3.51 3fpvH1 VAL 16 HB -0.00 0.00 -0.06 -0.04 2.12 2.02 3fpvH1 VAL 16 HG13 -0.00 -0.01 0.02 -0.04 0.97 0.94 3fpvH1 VAL 16 HG23 -0.00 -0.01 0.06 -0.04 0.95 0.96 3fpvH1 ALA 17 H 0.00 0.13 0.11 -0.55 8.40 8.09 3fpvH1 ALA 17 HA 0.00 0.14 0.13 -0.75 4.34 3.85 3fpvH1 ALA 17 HB3 0.00 0.01 -0.00 -0.04 1.41 1.38 3fpvH1 ALA 18 H 0.00 0.15 0.18 -0.55 8.40 8.18 3fpvH1 ALA 18 HA 0.00 0.17 0.67 -0.75 4.34 4.43 3fpvH1 ALA 18 HB3 0.00 0.01 0.01 -0.04 1.41 1.38 3fpvH1 ARG 19 H 0.00 0.25 0.18 -0.55 8.46 8.34 3fpvH1 ARG 19 HA 0.00 0.20 0.77 -0.75 4.34 4.56 3fpvH1 ARG 19 HB2 0.00 0.13 -0.26 -0.04 1.90 1.72 3fpvH1 ARG 19 HB3 0.00 0.03 -0.05 -0.04 1.80 1.74 3fpvH1 ARG 19 HG2 0.00 0.02 -0.12 -0.04 1.67 1.53 3fpvH1 ARG 19 HG3 0.00 -0.43 0.01 -0.04 1.67 1.21 3fpvH1 ARG 19 HD2 0.00 -0.01 0.00 -0.04 3.22 3.17 3fpvH1 ARG 19 HD3 0.00 0.06 -0.01 -0.04 3.22 3.22 3fpvH1 GLY 20 H 0.00 0.19 0.15 -0.55 8.43 8.23 3fpvH1 GLY 20 HA2 0.00 0.09 0.09 -0.51 4.01 3.67 3fpvH1 GLY 20 HA3 0.00 0.11 0.28 -0.51 4.01 3.88 3fpvH1 GLY 21 H -0.00 0.22 0.75 -0.55 8.43 8.84 3fpvH1 GLY 21 HA2 -0.00 0.08 0.18 -0.51 4.01 3.76 3fpvH1 GLY 21 HA3 -0.00 -0.00 0.39 -0.51 4.01 3.89 3fpvH1 GLU 22 H 0.00 0.11 -0.26 -0.55 8.60 7.90 3fpvH1 GLU 22 HA -0.00 0.21 0.75 -0.75 4.29 4.49 3fpvH1 GLU 22 HB2 -0.00 0.02 0.10 -0.04 2.09 2.17 3fpvH1 GLU 22 HB3 -0.00 -0.04 -0.00 -0.04 1.99 1.90 3fpvH1 GLU 22 HG2 0.00 -0.03 -0.26 -0.04 2.34 2.01 3fpvH1 GLU 22 HG3 0.00 0.01 -0.08 -0.04 2.34 2.23 3fpvH1 LEU 23 H 0.00 -0.05 -0.37 -0.55 8.37 7.40 3fpvH1 LEU 23 HA 0.00 0.12 0.73 -0.75 4.35 4.45 3fpvH1 LEU 23 HB2 0.00 0.08 -0.07 -0.04 1.64 1.61 3fpvH1 LEU 23 HB3 0.00 0.04 0.01 -0.04 1.64 1.65 3fpvH1 LEU 23 HG 0.00 -0.19 -0.32 -0.04 1.64 1.09 3fpvH1 LEU 23 HD13 0.00 0.05 -0.10 -0.04 0.93 0.84 3fpvH1 LEU 23 HD23 0.00 0.02 -0.07 -0.04 0.89 0.80 3fpvH1 THR 24 H 0.00 0.24 0.12 -0.55 8.28 8.09 3fpvH1 THR 24 HA -0.00 0.11 0.23 -0.75 4.39 3.97 3fpvH1 THR 24 HB -0.00 0.11 -0.04 -0.04 4.32 4.35 3fpvH1 THR 24 HG23 0.00 -0.01 -0.17 -0.04 1.22 1.00 3fpvH1 GLN 25 H -0.00 0.17 0.14 -0.55 8.47 8.23 3fpvH1 GLN 25 HA 0.01 0.16 0.85 -0.75 4.36 4.64 3fpvH1 GLN 25 HB2 -0.01 -0.00 0.02 -0.04 2.15 2.12 3fpvH1 GLN 25 HB3 -0.00 0.05 0.04 -0.04 2.02 2.06 3fpvH1 GLN 25 HG2 0.00 -0.09 -0.26 -0.04 2.40 2.02 3fpvH1 GLN 25 HG3 -0.00 0.01 -0.05 -0.04 2.39 2.31 3fpvH1 GLN 25 HE21 0.01 -0.01 -0.05 -0.04 6.97 6.88 3fpvH1 GLN 25 HE22 0.00 -0.02 -0.14 -0.04 7.69 7.49 3fpvH1 SER 26 H 0.03 0.22 0.21 -0.55 8.46 8.37 3fpvH1 SER 26 HA -0.08 0.16 0.42 -0.75 4.49 4.23 3fpvH1 SER 26 HB2 -0.16 0.03 0.13 -0.04 3.95 3.91 3fpvH1 SER 26 HB3 -0.01 0.07 -0.03 -0.04 3.93 3.91 3fpvH1 THR 27 H -0.28 0.24 0.15 -0.55 8.28 7.84 3fpvH1 THR 27 HA -0.14 0.16 0.88 -0.75 4.39 4.54 3fpvH1 THR 27 HB -0.13 0.04 -0.05 -0.04 4.32 4.14 3fpvH1 THR 27 HG23 -0.04 0.00 -0.03 -0.04 1.22 1.11 3fpvH1 HIS 28 H 0.00 0.25 0.18 -0.55 8.41 8.30 3fpvH1 HIS 28 HA -0.01 0.16 0.84 -0.75 4.63 4.86 3fpvH1 HIS 28 HB2 -0.01 0.00 -0.07 -0.04 3.26 3.15 3fpvH1 HIS 28 HB3 -0.01 0.02 0.11 -0.04 3.20 3.28 3fpvH1 HIS 28 HD2 -0.01 0.04 -0.16 -0.04 6.97 6.80 3fpvH1 HIS 28 HE1 -0.02 -0.01 -0.07 -0.04 7.75 7.62 3fpvH1 LEU 29 H 0.06 0.16 0.05 -0.55 8.37 8.09 3fpvH1 LEU 29 HA 0.03 0.03 0.67 -0.75 4.35 4.33 3fpvH1 LEU 29 HB2 0.04 -0.01 0.03 -0.04 1.64 1.66 3fpvH1 LEU 29 HB3 0.02 0.05 -0.02 -0.04 1.64 1.66 3fpvH1 LEU 29 HG 0.02 0.01 -0.08 -0.04 1.64 1.54 3fpvH1 LEU 29 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.74 3fpvH1 LEU 29 HD23 0.01 0.00 -0.05 -0.04 0.89 0.82 3fpvH1 THR 30 H 0.02 0.12 0.14 -0.55 8.28 8.01 3fpvH1 THR 30 HA 0.02 0.20 0.69 -0.75 4.39 4.54 3fpvH1 THR 30 HB 0.01 -0.11 0.15 -0.04 4.32 4.33 3fpvH1 THR 30 HG23 0.01 0.06 0.10 -0.04 1.22 1.35 3fpvH1 LEU 31 H 0.00 0.23 0.13 -0.55 8.37 8.18 3fpvH1 LEU 31 HA 0.00 0.13 0.54 -0.75 4.35 4.27 3fpvH1 LEU 31 HB2 -0.00 0.09 0.13 -0.04 1.64 1.82 3fpvH1 LEU 31 HB3 -0.00 -0.04 0.13 -0.04 1.64 1.69 3fpvH1 LEU 31 HG 0.00 -0.03 -0.22 -0.04 1.64 1.35 3fpvH1 LEU 31 HD13 0.00 0.00 0.03 -0.04 0.93 0.92 3fpvH1 LEU 31 HD23 0.00 0.02 0.01 -0.04 0.89 0.88 3fpvH1 GLU 32 H 0.00 0.11 -0.09 -0.55 8.60 8.08 3fpvH1 GLU 32 HA 0.00 0.11 0.36 -0.75 4.29 4.01 3fpvH1 GLU 32 HB2 -0.00 0.00 0.11 -0.04 2.09 2.16 3fpvH1 GLU 32 HB3 -0.00 0.01 0.00 -0.04 1.99 1.97 3fpvH1 GLU 32 HG2 -0.00 0.05 0.00 -0.04 2.34 2.35 3fpvH1 GLU 32 HG3 -0.00 0.04 -0.05 -0.04 2.34 2.28 3fpvH1 ALA 33 H 0.00 0.01 -0.32 -0.55 8.40 7.54 3fpvH1 ALA 33 HA -0.00 0.12 0.42 -0.75 4.34 4.13 3fpvH1 ALA 33 HB3 0.00 0.04 0.08 -0.04 1.41 1.50 3fpvH1 ALA 34 H 0.01 0.43 -0.26 -0.55 8.40 8.03 3fpvH1 ALA 34 HA 0.01 0.05 0.32 -0.75 4.34 3.97 3fpvH1 ALA 34 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 3fpvH1 THR 35 H 0.01 0.72 -0.08 -0.55 8.28 8.38 3fpvH1 THR 35 HA 0.01 0.00 0.50 -0.75 4.39 4.14 3fpvH1 THR 35 HB 0.00 0.06 0.05 -0.04 4.32 4.39 3fpvH1 THR 35 HG23 0.01 -0.01 -0.04 -0.04 1.22 1.13 3fpvH1 LYS 36 H 0.00 0.54 -0.23 -0.55 8.42 8.17 3fpvH1 LYS 36 HA 0.00 -0.01 0.38 -0.75 4.32 3.94 3fpvH1 LYS 36 HB2 -0.00 0.16 0.17 -0.04 1.87 2.16 3fpvH1 LYS 36 HB3 -0.00 0.12 0.10 -0.04 1.79 1.96 3fpvH1 LYS 36 HG2 -0.01 0.02 -0.10 -0.04 1.46 1.34 3fpvH1 LYS 36 HG3 -0.00 -0.06 0.04 -0.04 1.46 1.40 3fpvH1 LYS 36 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.60 3fpvH1 LYS 36 HD3 -0.01 -0.04 -0.03 -0.04 1.68 1.56 3fpvH1 LYS 36 HE2 -0.02 -0.03 -0.02 -0.04 2.99 2.88 3fpvH1 LYS 36 HE3 -0.03 0.14 -0.06 -0.04 2.99 3.00 3fpvH1 ALA 37 H 0.01 0.45 -0.23 -0.55 8.40 8.09 3fpvH1 ALA 37 HA 0.02 0.17 0.44 -0.75 4.34 4.22 3fpvH1 ALA 37 HB3 0.02 -0.01 -0.04 -0.04 1.41 1.34 3fpvH1 ALA 38 H 0.01 0.53 -0.14 -0.55 8.40 8.26 3fpvH1 ALA 38 HA 0.02 0.02 0.35 -0.75 4.34 3.97 3fpvH1 ALA 38 HB3 0.01 0.01 -0.01 -0.04 1.41 1.38 3fpvH1 ARG 39 H 0.01 0.59 -0.24 -0.55 8.46 8.27 3fpvH1 ARG 39 HA 0.01 -0.02 0.34 -0.75 4.34 3.92 3fpvH1 ARG 39 HB2 0.01 0.16 0.11 -0.04 1.90 2.14 3fpvH1 ARG 39 HB3 0.00 -0.05 0.00 -0.04 1.80 1.71 3fpvH1 ARG 39 HG2 0.01 -0.08 0.01 -0.04 1.67 1.57 3fpvH1 ARG 39 HG3 0.01 0.18 0.05 -0.04 1.67 1.87 3fpvH1 ARG 39 HD2 0.01 -0.04 -0.04 -0.04 3.22 3.10 3fpvH1 ARG 39 HD3 0.00 0.02 -0.08 -0.04 3.22 3.12 3fpvH1 ALA 40 H 0.01 0.43 -0.27 -0.55 8.40 8.02 3fpvH1 ALA 40 HA 0.00 0.01 0.54 -0.75 4.34 4.15 3fpvH1 ALA 40 HB3 0.02 0.06 0.12 -0.04 1.41 1.57 3fpvH1 ALA 41 H 0.02 0.41 -0.23 -0.55 8.40 8.04 3fpvH1 ALA 41 HA 0.05 0.12 0.54 -0.75 4.34 4.29 3fpvH1 ALA 41 HB3 0.04 0.01 0.04 -0.04 1.41 1.47 3fpvH1 VAL 42 H 0.00 0.51 -0.12 -0.55 8.24 8.08 3fpvH1 VAL 42 HA -0.04 0.01 0.56 -0.75 4.13 3.90 3fpvH1 VAL 42 HB -0.00 0.19 0.13 -0.04 2.12 2.39 3fpvH1 VAL 42 HG13 -0.00 -0.02 -0.08 -0.04 0.97 0.82 3fpvH1 VAL 42 HG23 0.01 0.04 -0.01 -0.04 0.95 0.95 3fpvH1 GLU 43 H -0.02 0.50 -0.18 -0.55 8.60 8.36 3fpvH1 GLU 43 HA -0.04 -0.00 0.34 -0.75 4.29 3.84 3fpvH1 GLU 43 HB2 -0.01 -0.03 0.10 -0.04 2.09 2.10 3fpvH1 GLU 43 HB3 -0.01 0.04 0.27 -0.04 1.99 2.26 3fpvH1 GLU 43 HG2 -0.01 0.09 -0.25 -0.04 2.34 2.12 3fpvH1 GLU 43 HG3 -0.02 -0.06 -0.13 -0.04 2.34 2.09 3fpvH1 ALA 44 H -0.05 0.53 -0.29 -0.55 8.40 8.04 3fpvH1 ALA 44 HA -0.05 0.05 0.45 -0.75 4.34 4.03 3fpvH1 ALA 44 HB3 0.05 0.02 0.08 -0.04 1.41 1.52 3fpvH1 ALA 45 H -0.28 0.36 -0.35 -0.55 8.40 7.59 3fpvH1 ALA 45 HA -1.27 0.01 0.55 -0.75 4.34 2.88 3fpvH1 ALA 45 HB3 -0.36 0.01 0.03 -0.04 1.41 1.05 3fpvH1 GLU 46 H -0.16 0.68 0.01 -0.55 8.60 8.59 3fpvH1 GLU 46 HA -0.15 0.08 0.43 -0.75 4.29 3.89 3fpvH1 GLU 46 HB2 -0.05 0.07 0.06 -0.04 2.09 2.12 3fpvH1 GLU 46 HB3 -0.03 -0.05 0.09 -0.04 1.99 1.96 3fpvH1 GLU 46 HG2 -0.06 0.18 0.11 -0.04 2.34 2.52 3fpvH1 GLU 46 HG3 -0.01 -0.08 -0.00 -0.04 2.34 2.21 3fpvH1 LYS 47 H -0.12 0.30 -0.51 -0.55 8.42 7.54 3fpvH1 LYS 47 HA -0.04 0.04 0.61 -0.75 4.32 4.18 3fpvH1 LYS 47 HB2 -0.07 0.18 0.11 -0.04 1.87 2.06 3fpvH1 LYS 47 HB3 -0.02 -0.06 -0.01 -0.04 1.79 1.66 3fpvH1 LYS 47 HG2 -0.02 -0.06 0.07 -0.04 1.46 1.41 3fpvH1 LYS 47 HG3 -0.03 0.22 0.06 -0.04 1.46 1.66 3fpvH1 LYS 47 HD2 -0.00 -0.00 0.01 -0.04 1.69 1.65 3fpvH1 LYS 47 HD3 -0.00 -0.04 0.01 -0.04 1.68 1.61 3fpvH1 LYS 47 HE2 0.00 -0.04 -0.01 -0.04 2.99 2.90 3fpvH1 LYS 47 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 3fpvH1 ASP 48 H -0.15 0.47 -0.32 -0.55 8.40 7.84 3fpvH1 ASP 48 HA -0.02 0.14 0.65 -0.75 4.63 4.64 3fpvH1 ASP 48 HB2 -0.09 0.11 0.17 -0.04 2.71 2.86 3fpvH1 ASP 48 HB3 0.04 -0.08 0.12 -0.04 2.70 2.74 3fpvH1 GLY 49 H -0.10 0.27 -0.51 -0.55 8.43 7.55 3fpvH1 GLY 49 HA2 -0.13 0.05 0.26 -0.51 4.01 3.68 3fpvH1 GLY 49 HA3 -0.08 0.04 0.53 -0.51 4.01 3.99 3fpvH1 ARG 50 H -0.24 0.44 -0.07 -0.55 8.46 8.03 3fpvH1 ARG 50 HA -0.26 0.17 0.68 -0.75 4.34 4.18 3fpvH1 ARG 50 HB2 -0.21 0.17 0.03 -0.04 1.90 1.85 3fpvH1 ARG 50 HB3 -0.11 -0.10 -0.20 -0.04 1.80 1.34 3fpvH1 ARG 50 HG2 0.18 -0.15 -0.02 -0.04 1.67 1.65 3fpvH1 ARG 50 HG3 0.01 0.02 0.02 -0.04 1.67 1.68 3fpvH1 ARG 50 HD2 -0.03 0.11 -0.36 -0.04 3.22 2.91 3fpvH1 ARG 50 HD3 0.15 -0.08 -0.03 -0.04 3.22 3.21 3fpvH1 HIS 51 H -0.07 0.22 0.01 -0.55 8.41 8.02 3fpvH1 HIS 51 HA -0.01 0.14 0.82 -0.75 4.63 4.82 3fpvH1 HIS 51 HB2 0.01 0.03 -0.12 -0.04 3.26 3.15 3fpvH1 HIS 51 HB3 0.01 0.01 -0.50 -0.04 3.20 2.68 3fpvH1 HIS 51 HD2 0.01 -0.02 -0.02 -0.04 6.97 6.89 3fpvH1 HIS 51 HE1 -0.01 -0.05 -0.12 -0.04 7.75 7.52 3fpvH1 VAL 52 H 0.06 0.21 0.08 -0.55 8.24 8.04 3fpvH1 VAL 52 HA 0.07 0.24 0.96 -0.75 4.13 4.65 3fpvH1 VAL 52 HB 0.07 0.09 -0.06 -0.04 2.12 2.17 3fpvH1 VAL 52 HG13 0.09 -0.05 -0.46 -0.04 0.97 0.50 3fpvH1 VAL 52 HG23 0.01 0.01 -0.20 -0.04 0.95 0.73 3fpvH1 SER 53 H 0.06 0.54 0.36 -0.55 8.46 8.88 3fpvH1 SER 53 HA 0.07 0.18 0.97 -0.75 4.49 4.96 3fpvH1 SER 53 HB2 0.06 0.03 -0.18 -0.04 3.95 3.82 3fpvH1 SER 53 HB3 0.05 0.07 0.00 -0.04 3.93 4.01 3fpvH1 VAL 54 H 0.02 0.54 0.32 -0.55 8.24 8.58 3fpvH1 VAL 54 HA 0.00 0.37 1.16 -0.75 4.13 4.91 3fpvH1 VAL 54 HB 0.01 -0.08 0.07 -0.04 2.12 2.08 3fpvH1 VAL 54 HG13 0.02 0.03 -0.07 -0.04 0.97 0.90 3fpvH1 VAL 54 HG23 0.03 -0.01 -0.25 -0.04 0.95 0.68 3fpvH1 ALA 55 H -0.03 0.62 0.32 -0.55 8.40 8.76 3fpvH1 ALA 55 HA -0.06 0.25 0.97 -0.75 4.34 4.75 3fpvH1 ALA 55 HB3 -0.10 0.01 -0.08 -0.04 1.41 1.20 3fpvH1 VAL 56 H -0.02 0.62 0.33 -0.55 8.24 8.63 3fpvH1 VAL 56 HA 0.00 0.42 1.07 -0.75 4.13 4.87 3fpvH1 VAL 56 HB 0.00 -0.17 0.20 -0.04 2.12 2.11 3fpvH1 VAL 56 HG13 0.01 0.01 -0.06 -0.04 0.97 0.89 3fpvH1 VAL 56 HG23 0.01 0.05 -0.05 -0.04 0.95 0.91 3fpvH1 VAL 57 H 0.01 0.59 0.28 -0.55 8.24 8.57 3fpvH1 VAL 57 HA 0.03 0.05 1.07 -0.75 4.13 4.52 3fpvH1 VAL 57 HB 0.05 -0.03 -0.18 -0.04 2.12 1.91 3fpvH1 VAL 57 HG13 0.13 0.09 -0.34 -0.04 0.97 0.81 3fpvH1 VAL 57 HG23 0.05 -0.01 -0.18 -0.04 0.95 0.77 3fpvH1 ASP 58 H 0.03 0.79 0.29 -0.55 8.40 8.96 3fpvH1 ASP 58 HA 0.04 0.15 0.60 -0.75 4.63 4.66 3fpvH1 ASP 58 HB2 0.02 0.05 0.16 -0.04 2.71 2.91 3fpvH1 ASP 58 HB3 0.04 -0.17 0.10 -0.04 2.70 2.62 3fpvH1 ARG 59 H 0.04 0.41 0.20 -0.55 8.46 8.56 3fpvH1 ARG 59 HA -0.09 0.12 0.46 -0.75 4.34 4.08 3fpvH1 ARG 59 HB2 -0.05 -0.00 -0.07 -0.04 1.90 1.73 3fpvH1 ARG 59 HB3 -0.02 -0.04 0.17 -0.04 1.80 1.87 3fpvH1 ARG 59 HG2 -0.07 0.03 0.06 -0.04 1.67 1.64 3fpvH1 ARG 59 HG3 -0.06 -0.07 -0.15 -0.04 1.67 1.35 3fpvH1 ARG 59 HD2 -0.14 -0.00 0.06 -0.04 3.22 3.10 3fpvH1 ARG 59 HD3 -0.09 0.08 0.02 -0.04 3.22 3.19 3fpvH1 ASN 60 H 0.05 -0.07 -0.28 -0.55 8.53 7.69 3fpvH1 ASN 60 HA -0.00 0.21 0.44 -0.75 4.76 4.66 3fpvH1 ASN 60 HB2 0.03 0.04 0.13 -0.04 2.88 3.04 3fpvH1 ASN 60 HB3 0.10 0.02 0.03 -0.04 2.79 2.90 3fpvH1 ASN 60 HD21 -0.09 -0.01 0.00 -0.04 7.03 6.89 3fpvH1 ASN 60 HD22 -0.02 0.05 0.00 -0.04 7.74 7.73 3fpvH1 GLY 61 H 0.00 0.22 -0.23 -0.55 8.43 7.88 3fpvH1 GLY 61 HA2 0.04 -0.22 -0.22 -0.51 4.01 3.09 3fpvH1 GLY 61 HA3 0.06 0.21 0.04 -0.51 4.01 3.81 3fpvH1 ASN 62 H 0.03 0.09 -0.30 -0.55 8.53 7.81 3fpvH1 ASN 62 HA 0.04 0.13 0.62 -0.75 4.76 4.80 3fpvH1 ASN 62 HB2 -0.00 -0.07 -0.05 -0.04 2.88 2.71 3fpvH1 ASN 62 HB3 0.01 0.09 0.01 -0.04 2.79 2.86 3fpvH1 ASN 62 HD21 -0.01 0.04 -0.01 -0.04 7.03 7.01 3fpvH1 ASN 62 HD22 -0.03 -0.04 -0.01 -0.04 7.74 7.62 3fpvH1 THR 63 H 0.02 0.16 0.04 -0.55 8.28 7.95 3fpvH1 THR 63 HA 0.02 0.07 0.80 -0.75 4.39 4.52 3fpvH1 THR 63 HB 0.00 -0.01 0.02 -0.04 4.32 4.30 3fpvH1 THR 63 HG23 -0.03 -0.03 -0.22 -0.04 1.22 0.91 3fpvH1 LEU 64 H 0.01 0.64 0.43 -0.55 8.37 8.90 3fpvH1 LEU 64 HA 0.00 0.14 0.78 -0.75 4.35 4.52 3fpvH1 LEU 64 HB2 0.01 -0.01 0.07 -0.04 1.64 1.66 3fpvH1 LEU 64 HB3 0.00 -0.06 0.02 -0.04 1.64 1.56 3fpvH1 LEU 64 HG 0.01 0.01 -0.00 -0.04 1.64 1.61 3fpvH1 LEU 64 HD13 0.02 -0.00 -0.09 -0.04 0.93 0.81 3fpvH1 LEU 64 HD23 -0.01 0.00 -0.14 -0.04 0.89 0.70 3fpvH1 VAL 65 H -0.00 0.38 0.30 -0.55 8.24 8.37 3fpvH1 VAL 65 HA 0.01 0.21 0.89 -0.75 4.13 4.49 3fpvH1 VAL 65 HB 0.00 -0.08 0.01 -0.04 2.12 2.01 3fpvH1 VAL 65 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 3fpvH1 VAL 65 HG23 0.01 -0.00 -0.36 -0.04 0.95 0.56 3fpvH1 THR 66 H 0.03 0.25 0.15 -0.55 8.28 8.16 3fpvH1 THR 66 HA -0.05 0.28 0.54 -0.75 4.39 4.42 3fpvH1 THR 66 HB -0.10 0.01 -0.02 -0.04 4.32 4.16 3fpvH1 THR 66 HG23 -0.22 -0.01 -0.06 -0.04 1.22 0.89 3fpvH1 LEU 67 H 0.01 0.78 0.29 -0.55 8.37 8.91 3fpvH1 LEU 67 HA 0.08 0.15 0.69 -0.75 4.35 4.52 3fpvH1 LEU 67 HB2 0.03 -0.06 0.09 -0.04 1.64 1.66 3fpvH1 LEU 67 HB3 0.04 0.03 -0.01 -0.04 1.64 1.66 3fpvH1 LEU 67 HG 0.02 -0.07 -0.33 -0.04 1.64 1.22 3fpvH1 LEU 67 HD13 0.02 0.02 -0.20 -0.04 0.93 0.73 3fpvH1 LEU 67 HD23 0.03 0.07 -0.00 -0.04 0.89 0.95 3fpvH1 ARG 68 H 0.11 0.21 0.05 -0.55 8.46 8.28 3fpvH1 ARG 68 HA 0.15 0.09 1.02 -0.75 4.34 4.84 3fpvH1 ARG 68 HB2 0.16 -0.04 0.03 -0.04 1.90 2.01 3fpvH1 ARG 68 HB3 0.04 0.01 0.15 -0.04 1.80 1.96 3fpvH1 ARG 68 HG2 0.05 0.17 -0.17 -0.04 1.67 1.68 3fpvH1 ARG 68 HG3 0.13 -0.07 -0.02 -0.04 1.67 1.68 3fpvH1 ARG 68 HD2 -0.03 -0.00 -0.03 -0.04 3.22 3.11 3fpvH1 ARG 68 HD3 -0.02 0.03 -0.06 -0.04 3.22 3.13 3fpvH1 GLY 69 H 0.07 0.40 0.27 -0.55 8.43 8.62 3fpvH1 GLY 69 HA2 0.04 -0.02 0.36 -0.51 4.01 3.89 3fpvH1 GLY 69 HA3 0.06 0.13 0.35 -0.51 4.01 4.04 3fpvH1 ASP 70 H 0.03 0.12 0.15 -0.55 8.40 8.16 3fpvH1 ASP 70 HA -0.02 0.04 0.53 -0.75 4.63 4.43 3fpvH1 ASP 70 HB2 0.01 0.01 0.16 -0.04 2.71 2.85 3fpvH1 ASP 70 HB3 -0.04 0.03 0.04 -0.04 2.70 2.69 3fpvH1 GLY 71 H -0.05 0.18 0.21 -0.55 8.43 8.23 3fpvH1 GLY 71 HA2 -0.10 0.00 0.26 -0.51 4.01 3.66 3fpvH1 GLY 71 HA3 -0.32 0.10 0.37 -0.51 4.01 3.65 3fpvH1 ALA 72 H 0.02 0.38 -0.47 -0.55 8.40 7.78 3fpvH1 ALA 72 HA 0.09 0.22 0.42 -0.75 4.34 4.31 3fpvH1 ALA 72 HB3 0.07 -0.02 -0.24 -0.04 1.41 1.18 3fpvH1 GLY 73 H 0.06 0.19 0.18 -0.55 8.43 8.31 3fpvH1 GLY 73 HA2 0.03 0.16 0.57 -0.51 4.01 4.26 3fpvH1 GLY 73 HA3 0.04 -0.01 0.35 -0.51 4.01 3.88 3fpvH1 PRO 74 HA 0.03 0.13 0.27 -0.51 4.44 4.36 3fpvH1 PRO 74 HB2 0.01 0.03 0.00 -0.04 2.28 2.28 3fpvH1 PRO 74 HB3 0.00 0.08 0.10 -0.04 2.02 2.16 3fpvH1 PRO 74 HG2 0.02 0.01 0.06 -0.04 2.03 2.07 3fpvH1 PRO 74 HG3 0.01 0.09 0.08 -0.04 2.03 2.17 3fpvH1 PRO 74 HD2 0.02 0.07 0.21 -0.04 3.68 3.95 3fpvH1 PRO 74 HD3 0.01 0.24 0.23 -0.04 3.65 4.09 3fpvH1 GLN 75 H 0.04 0.14 -0.26 -0.55 8.47 7.84 3fpvH1 GLN 75 HA 0.05 0.13 0.51 -0.75 4.36 4.30 3fpvH1 GLN 75 HB2 0.03 0.05 0.06 -0.04 2.15 2.25 3fpvH1 GLN 75 HB3 0.03 0.02 0.05 -0.04 2.02 2.08 3fpvH1 GLN 75 HG2 0.04 -0.04 -0.44 -0.04 2.40 1.92 3fpvH1 GLN 75 HG3 0.03 0.05 -0.08 -0.04 2.39 2.35 3fpvH1 GLN 75 HE21 0.04 0.04 -0.03 -0.04 6.97 6.99 3fpvH1 GLN 75 HE22 0.04 -0.02 -0.14 -0.04 7.69 7.53 3fpvH1 SER 76 H 0.07 0.50 -0.48 -0.55 8.46 8.00 3fpvH1 SER 76 HA 0.05 0.03 0.04 -0.75 4.49 3.85 3fpvH1 SER 76 HB2 0.06 0.04 -0.14 -0.04 3.95 3.86 3fpvH1 SER 76 HB3 0.06 -0.04 -0.04 -0.04 3.93 3.87 3fpvH1 TYR 77 H 0.18 0.25 -0.34 -0.55 8.29 7.83 3fpvH1 TYR 77 HA 0.02 0.07 0.35 -0.75 4.56 4.25 3fpvH1 TYR 77 HB2 0.01 0.05 0.04 -0.04 3.06 3.12 3fpvH1 TYR 77 HB3 0.01 0.01 0.07 -0.04 2.98 3.03 3fpvH1 TYR 77 HD2 0.01 -0.01 -0.15 -0.04 7.15 6.95 3fpvH1 TYR 77 HE2 0.00 -0.00 -0.14 -0.04 6.85 6.67 3fpvH1 GLU 78 H 0.19 0.21 -0.07 -0.55 8.60 8.38 3fpvH1 GLU 78 HA -0.01 0.07 0.45 -0.75 4.29 4.05 3fpvH1 GLU 78 HB2 0.08 0.05 0.08 -0.04 2.09 2.26 3fpvH1 GLU 78 HB3 0.03 0.04 -0.09 -0.04 1.99 1.93 3fpvH1 GLU 78 HG2 0.09 -0.00 0.02 -0.04 2.34 2.41 3fpvH1 GLU 78 HG3 0.13 0.01 0.02 -0.04 2.34 2.45 3fpvH1 SER 79 H 0.04 0.25 -0.45 -0.55 8.46 7.75 3fpvH1 SER 79 HA 0.01 0.06 0.27 -0.75 4.49 4.07 3fpvH1 SER 79 HB2 0.03 0.08 -0.00 -0.04 3.95 4.02 3fpvH1 SER 79 HB3 0.03 -0.03 0.04 -0.04 3.93 3.93 3fpvH1 ALA 80 H -0.01 0.65 -0.15 -0.55 8.40 8.35 3fpvH1 ALA 80 HA -0.00 -0.02 0.16 -0.75 4.34 3.72 3fpvH1 ALA 80 HB3 -0.05 0.07 -0.09 -0.04 1.41 1.30 3fpvH1 GLU 81 H -0.09 0.33 -0.52 -0.55 8.60 7.77 3fpvH1 GLU 81 HA -0.06 -0.04 0.29 -0.75 4.29 3.74 3fpvH1 GLU 81 HB2 -0.11 0.10 0.17 -0.04 2.09 2.21 3fpvH1 GLU 81 HB3 -0.06 0.03 -0.05 -0.04 1.99 1.87 3fpvH1 GLU 81 HG2 -0.09 -0.05 -0.01 -0.04 2.34 2.14 3fpvH1 GLU 81 HG3 -0.27 0.01 -0.02 -0.04 2.34 2.02 3fpvH1 ARG 82 H -0.01 0.49 -0.09 -0.55 8.46 8.30 3fpvH1 ARG 82 HA 0.04 0.16 0.40 -0.75 4.34 4.18 3fpvH1 ARG 82 HB2 0.01 0.01 0.02 -0.04 1.90 1.90 3fpvH1 ARG 82 HB3 0.02 -0.02 -0.20 -0.04 1.80 1.57 3fpvH1 ARG 82 HG2 -0.07 0.01 -0.06 -0.04 1.67 1.52 3fpvH1 ARG 82 HG3 -0.02 0.18 -0.00 -0.04 1.67 1.79 3fpvH1 ARG 82 HD2 0.01 -0.06 -0.16 -0.04 3.22 2.97 3fpvH1 ARG 82 HD3 0.00 0.08 -0.38 -0.04 3.22 2.88 3fpvH1 LYS 83 H 0.02 0.53 -0.15 -0.55 8.42 8.26 3fpvH1 LYS 83 HA 0.00 0.13 0.61 -0.75 4.32 4.31 3fpvH1 LYS 83 HB2 0.01 0.10 0.09 -0.04 1.87 2.04 3fpvH1 LYS 83 HB3 0.01 -0.17 -0.09 -0.04 1.79 1.50 3fpvH1 LYS 83 HG2 0.00 0.07 0.05 -0.04 1.46 1.55 3fpvH1 LYS 83 HG3 0.01 0.14 0.01 -0.04 1.46 1.58 3fpvH1 LYS 83 HD2 0.01 0.03 -0.16 -0.04 1.69 1.54 3fpvH1 LYS 83 HD3 0.01 -0.17 -0.22 -0.04 1.68 1.26 3fpvH1 LYS 83 HE2 0.02 -0.05 -0.16 -0.04 2.99 2.75 3fpvH1 LYS 83 HE3 0.02 -0.09 -0.17 -0.04 2.99 2.71 3fpvH1 ALA 84 H 0.03 0.59 -0.15 -0.55 8.40 8.32 3fpvH1 ALA 84 HA 0.02 -0.08 0.20 -0.75 4.34 3.72 3fpvH1 ALA 84 HB3 0.02 0.02 -0.02 -0.04 1.41 1.39 3fpvH1 PHE 85 H 0.17 0.55 -0.18 -0.55 8.34 8.33 3fpvH1 PHE 85 HA -0.03 0.04 0.44 -0.75 4.62 4.31 3fpvH1 PHE 85 HB2 -0.03 -0.02 0.08 -0.04 3.15 3.15 3fpvH1 PHE 85 HB3 -0.02 0.16 0.19 -0.04 3.06 3.35 3fpvH1 PHE 85 HD2 -0.02 0.01 -0.17 -0.04 7.28 7.06 3fpvH1 PHE 85 HE2 -0.04 0.03 -0.08 -0.04 7.38 7.25 3fpvH1 PHE 85 HZ -0.06 -0.00 -0.05 -0.04 7.32 7.16 3fpvH1 THR 86 H 0.13 0.49 -0.20 -0.55 8.28 8.16 3fpvH1 THR 86 HA 0.11 0.08 0.33 -0.75 4.39 4.16 3fpvH1 THR 86 HB -0.07 0.04 0.15 -0.04 4.32 4.39 3fpvH1 THR 86 HG23 -0.42 -0.02 -0.15 -0.04 1.22 0.59 3fpvH1 ALA 87 H 0.01 0.59 -0.10 -0.55 8.40 8.35 3fpvH1 ALA 87 HA 0.05 0.17 0.44 -0.75 4.34 4.24 3fpvH1 ALA 87 HB3 0.01 -0.04 -0.12 -0.04 1.41 1.22 3fpvH1 VAL 88 H -0.07 0.48 -0.22 -0.55 8.24 7.89 3fpvH1 VAL 88 HA -0.05 -0.01 0.30 -0.75 4.13 3.62 3fpvH1 VAL 88 HB -0.06 -0.05 -0.26 -0.04 2.12 1.71 3fpvH1 VAL 88 HG13 -0.20 0.11 -0.18 -0.04 0.97 0.65 3fpvH1 VAL 88 HG23 -0.07 -0.00 -0.32 -0.04 0.95 0.51 3fpvH1 SER 89 H -0.22 0.25 -0.53 -0.55 8.46 7.42 3fpvH1 SER 89 HA -0.48 0.07 0.44 -0.75 4.49 3.77 3fpvH1 SER 89 HB2 -0.44 0.08 0.12 -0.04 3.95 3.67 3fpvH1 SER 89 HB3 -1.39 -0.06 -0.03 -0.04 3.93 2.41 3fpvH1 TRP 90 H 0.09 0.21 -0.34 -0.55 7.97 7.38 3fpvH1 TRP 90 HA -0.03 0.19 0.80 -0.75 4.62 4.83 3fpvH1 TRP 90 HB2 -0.04 0.10 0.00 -0.04 3.23 3.25 3fpvH1 TRP 90 HB3 0.01 -0.06 0.03 -0.04 3.23 3.17 3fpvH1 TRP 90 HD1 0.02 -0.02 0.01 -0.04 7.22 7.20 3fpvH1 TRP 90 HE1 0.05 -0.04 -0.03 -0.04 10.20 10.14 3fpvH1 TRP 90 HE3 -0.13 0.33 0.02 -0.04 7.59 7.77 3fpvH1 TRP 90 HZ2 0.13 -0.03 -0.03 -0.04 7.44 7.47 3fpvH1 TRP 90 HZ3 -0.14 -0.07 -0.07 -0.04 7.13 6.81 3fpvH1 TRP 90 HH2 0.23 0.04 -0.05 -0.04 7.19 7.36 3fpvH1 ASN 91 H 0.04 0.16 -0.06 -0.55 8.53 8.13 3fpvH1 ASN 91 HA 0.02 -0.03 0.33 -0.75 4.76 4.32 3fpvH1 ASN 91 HB2 0.01 0.02 -0.14 -0.04 2.88 2.73 3fpvH1 ASN 91 HB3 0.05 0.11 0.11 -0.04 2.79 3.02 3fpvH1 ASN 91 HD21 0.00 0.18 0.09 -0.04 7.03 7.26 3fpvH1 ASN 91 HD22 0.01 -0.02 0.08 -0.04 7.74 7.76 3fpvH1 ALA 92 H 0.09 0.39 0.02 -0.55 8.40 8.35 3fpvH1 ALA 92 HA 0.03 0.13 0.63 -0.75 4.34 4.38 3fpvH1 ALA 92 HB3 0.05 0.01 -0.07 -0.04 1.41 1.37 3fpvH1 PRO 93 HA 0.01 0.32 0.87 -0.51 4.44 5.13 3fpvH1 PRO 93 HB2 0.00 -0.26 0.12 -0.04 2.28 2.11 3fpvH1 PRO 93 HB3 -0.00 0.01 0.21 -0.04 2.02 2.20 3fpvH1 PRO 93 HG2 0.00 0.05 0.13 -0.04 2.03 2.18 3fpvH1 PRO 93 HG3 0.00 0.10 0.16 -0.04 2.03 2.26 3fpvH1 PRO 93 HD2 0.02 0.13 0.27 -0.04 3.68 4.06 3fpvH1 PRO 93 HD3 0.01 0.22 0.13 -0.04 3.65 3.97 3fpvH1 THR 94 H 0.00 0.57 0.36 -0.55 8.28 8.66 3fpvH1 THR 94 HA -0.02 0.20 0.44 -0.75 4.39 4.26 3fpvH1 THR 94 HB -0.02 -0.08 -0.01 -0.04 4.32 4.17 3fpvH1 THR 94 HG23 -0.04 0.05 0.10 -0.04 1.22 1.29 3fpvH1 SER 95 H 0.00 0.09 -0.06 -0.55 8.46 7.94 3fpvH1 SER 95 HA 0.01 0.07 0.52 -0.75 4.49 4.34 3fpvH1 SER 95 HB2 -0.01 0.08 0.02 -0.04 3.95 4.00 3fpvH1 SER 95 HB3 -0.01 -0.09 0.12 -0.04 3.93 3.91 3fpvH1 GLU 96 H 0.00 0.08 -0.30 -0.55 8.60 7.83 3fpvH1 GLU 96 HA -0.00 0.08 0.53 -0.75 4.29 4.14 3fpvH1 GLU 96 HB2 0.00 -0.04 0.09 -0.04 2.09 2.10 3fpvH1 GLU 96 HB3 0.01 0.20 0.11 -0.04 1.99 2.26 3fpvH1 GLU 96 HG2 -0.00 0.07 -0.24 -0.04 2.34 2.13 3fpvH1 GLU 96 HG3 -0.01 -0.04 -0.01 -0.04 2.34 2.24 3fpvH1 LEU 97 H 0.01 0.32 -0.25 -0.55 8.37 7.90 3fpvH1 LEU 97 HA -0.02 0.09 0.26 -0.75 4.35 3.92 3fpvH1 LEU 97 HB2 0.01 -0.05 0.06 -0.04 1.64 1.61 3fpvH1 LEU 97 HB3 0.09 -0.01 -0.06 -0.04 1.64 1.62 3fpvH1 LEU 97 HG 0.01 0.11 -0.13 -0.04 1.64 1.59 3fpvH1 LEU 97 HD13 0.04 -0.03 -0.18 -0.04 0.93 0.72 3fpvH1 LEU 97 HD23 -0.13 0.01 -0.08 -0.04 0.89 0.65 3fpvH1 ALA 98 H 0.05 0.32 -0.49 -0.55 8.40 7.74 3fpvH1 ALA 98 HA 0.11 0.06 0.35 -0.75 4.34 4.11 3fpvH1 ALA 98 HB3 0.05 0.02 -0.02 -0.04 1.41 1.41 3fpvH1 LYS 99 H -0.01 0.36 -0.41 -0.55 8.42 7.81 3fpvH1 LYS 99 HA -0.03 0.08 0.53 -0.75 4.32 4.14 3fpvH1 LYS 99 HB2 -0.02 0.14 0.04 -0.04 1.87 1.99 3fpvH1 LYS 99 HB3 -0.03 -0.05 0.12 -0.04 1.79 1.80 3fpvH1 LYS 99 HG2 -0.01 -0.06 -0.02 -0.04 1.46 1.33 3fpvH1 LYS 99 HG3 -0.01 0.25 0.11 -0.04 1.46 1.78 3fpvH1 LYS 99 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 3fpvH1 LYS 99 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.60 3fpvH1 LYS 99 HE2 -0.01 -0.05 -0.02 -0.04 2.99 2.87 3fpvH1 LYS 99 HE3 -0.01 0.05 -0.04 -0.04 2.99 2.96 3fpvH1 ARG 100 H -0.07 0.38 -0.47 -0.55 8.46 7.74 3fpvH1 ARG 100 HA -0.08 0.06 0.57 -0.75 4.34 4.13 3fpvH1 ARG 100 HB2 -0.16 0.35 0.13 -0.04 1.90 2.18 3fpvH1 ARG 100 HB3 -0.18 -0.04 0.05 -0.04 1.80 1.59 3fpvH1 ARG 100 HG2 -0.07 -0.04 0.02 -0.04 1.67 1.53 3fpvH1 ARG 100 HG3 -0.08 0.04 -0.00 -0.04 1.67 1.59 3fpvH1 ARG 100 HD2 -0.20 0.02 0.01 -0.04 3.22 3.01 3fpvH1 ARG 100 HD3 -0.09 -0.04 0.02 -0.04 3.22 3.07 3fpvH1 LEU 101 H -0.13 0.33 -0.52 -0.55 8.37 7.50 3fpvH1 LEU 101 HA -0.22 0.25 0.18 -0.75 4.35 3.81 3fpvH1 LEU 101 HB2 -0.13 0.15 0.06 -0.04 1.64 1.68 3fpvH1 LEU 101 HB3 -0.16 -0.04 0.07 -0.04 1.64 1.47 3fpvH1 LEU 101 HG -0.39 0.03 0.01 -0.04 1.64 1.26 3fpvH1 LEU 101 HD13 -0.14 0.02 0.09 -0.04 0.93 0.86 3fpvH1 LEU 101 HD23 -0.65 0.03 -0.03 -0.04 0.89 0.21 3fpvH1 ALA 102 H -0.08 0.25 -0.54 -0.55 8.40 7.49 3fpvH1 ALA 102 HA -0.05 0.06 0.30 -0.75 4.34 3.89 3fpvH1 ALA 102 HB3 -0.04 0.01 0.05 -0.04 1.41 1.39 3fpvH1 GLN 103 H -0.07 0.12 -0.23 -0.55 8.47 7.74 3fpvH1 GLN 103 HA -0.04 0.21 0.89 -0.75 4.36 4.66 3fpvH1 GLN 103 HB2 -0.03 -0.00 0.10 -0.04 2.15 2.18 3fpvH1 GLN 103 HB3 -0.03 -0.03 -0.10 -0.04 2.02 1.81 3fpvH1 GLN 103 HG2 -0.04 0.06 -0.33 -0.04 2.40 2.05 3fpvH1 GLN 103 HG3 -0.03 -0.02 -0.04 -0.04 2.39 2.26 3fpvH1 GLN 103 HE21 -0.04 0.00 0.01 -0.04 6.97 6.90 3fpvH1 GLN 103 HE22 -0.03 -0.02 -0.02 -0.04 7.69 7.58 3fpvH1 ALA 104 H -0.09 0.22 -0.11 -0.55 8.40 7.88 3fpvH1 ALA 104 HA -0.06 0.17 0.38 -0.75 4.34 4.07 3fpvH1 ALA 104 HB3 -0.08 0.03 0.13 -0.04 1.41 1.44 3fpvH1 PRO 105 HA -0.13 0.19 0.35 -0.51 4.44 4.34 3fpvH1 PRO 105 HB2 -0.06 -0.03 0.02 -0.04 2.28 2.17 3fpvH1 PRO 105 HB3 -0.06 0.15 0.08 -0.04 2.02 2.15 3fpvH1 PRO 105 HG2 -0.04 -0.02 -0.03 -0.04 2.03 1.90 3fpvH1 PRO 105 HG3 -0.04 0.07 -0.01 -0.04 2.03 2.01 3fpvH1 PRO 105 HD2 -0.05 0.08 0.00 -0.04 3.68 3.67 3fpvH1 PRO 105 HD3 -0.05 0.19 -0.29 -0.04 3.65 3.46 3fpvH1 THR 106 H -0.08 0.14 -0.39 -0.55 8.28 7.40 3fpvH1 THR 106 HA -0.05 0.19 0.61 -0.75 4.39 4.38 3fpvH1 THR 106 HB -0.01 0.01 0.11 -0.04 4.32 4.39 3fpvH1 THR 106 HG23 -0.02 0.01 -0.07 -0.04 1.22 1.10 3fpvH1 LEU 107 H -0.19 0.37 -0.29 -0.55 8.37 7.71 3fpvH1 LEU 107 HA -0.04 0.10 0.56 -0.75 4.35 4.21 3fpvH1 LEU 107 HB2 -0.56 0.08 0.03 -0.04 1.64 1.15 3fpvH1 LEU 107 HB3 -0.62 0.01 -0.04 -0.04 1.64 0.94 3fpvH1 LEU 107 HG -0.15 -0.06 0.01 -0.04 1.64 1.40 3fpvH1 LEU 107 HD13 -0.30 0.04 -0.04 -0.04 0.93 0.58 3fpvH1 LEU 107 HD23 -0.06 -0.00 0.01 -0.04 0.89 0.79 3fpvH1 LYS 108 H -0.24 0.23 -0.29 -0.55 8.42 7.56 3fpvH1 LYS 108 HA 0.20 0.13 0.44 -0.75 4.32 4.33 3fpvH1 LYS 108 HB2 0.08 -0.01 0.10 -0.04 1.87 1.99 3fpvH1 LYS 108 HB3 -0.20 -0.03 0.04 -0.04 1.79 1.56 3fpvH1 LYS 108 HG2 -0.14 0.13 0.09 -0.04 1.46 1.50 3fpvH1 LYS 108 HG3 -0.06 -0.01 -0.09 -0.04 1.46 1.26 3fpvH1 LYS 108 HD2 0.02 -0.02 -0.06 -0.04 1.69 1.59 3fpvH1 LYS 108 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.60 3fpvH1 LYS 108 HE2 -0.01 -0.05 -0.01 -0.04 2.99 2.88 3fpvH1 LYS 108 HE3 -0.04 0.14 0.03 -0.04 2.99 3.08 3fpvH1 ASP 109 H 0.02 0.24 -0.68 -0.55 8.40 7.44 3fpvH1 ASP 109 HA 0.06 0.12 0.67 -0.75 4.63 4.72 3fpvH1 ASP 109 HB2 0.03 0.22 0.06 -0.04 2.71 2.97 3fpvH1 ASP 109 HB3 0.04 -0.04 0.07 -0.04 2.70 2.72 3fpvH1 ILE 110 H 0.16 0.22 -0.31 -0.55 8.25 7.77 3fpvH1 ILE 110 HA 0.14 0.06 0.57 -0.75 4.18 4.20 3fpvH1 ILE 110 HB 0.44 0.06 0.09 -0.04 1.89 2.44 3fpvH1 ILE 110 HG12 0.20 -0.03 0.04 -0.04 1.49 1.66 3fpvH1 ILE 110 HG13 0.19 -0.04 0.09 -0.04 1.21 1.41 3fpvH1 ILE 110 HG23 0.27 0.02 -0.13 -0.04 0.93 1.05 3fpvH1 ILE 110 HD13 0.48 0.00 0.05 -0.04 0.88 1.37 3fpvH1 PRO 111 HA 0.06 -0.01 0.34 -0.51 4.44 4.32 3fpvH1 PRO 111 HB2 0.03 0.01 0.04 -0.04 2.28 2.32 3fpvH1 PRO 111 HB3 0.02 -0.01 0.07 -0.04 2.02 2.06 3fpvH1 PRO 111 HG2 0.04 -0.00 0.09 -0.04 2.03 2.12 3fpvH1 PRO 111 HG3 0.04 0.06 0.12 -0.04 2.03 2.21 3fpvH1 PRO 111 HD2 0.10 0.06 0.19 -0.04 3.68 3.99 3fpvH1 PRO 111 HD3 0.09 0.23 0.34 -0.04 3.65 4.27 3fpvH1 GLY 112 H 0.00 0.13 0.15 -0.55 8.43 8.16 3fpvH1 GLY 112 HA2 -0.21 -0.05 0.27 -0.51 4.01 3.51 3fpvH1 GLY 112 HA3 -0.36 0.16 0.44 -0.51 4.01 3.74 3fpvH1 THR 113 H 0.13 0.27 -0.10 -0.55 8.28 8.02 3fpvH1 THR 113 HA 0.22 0.14 0.43 -0.75 4.39 4.43 3fpvH1 THR 113 HB 0.02 -0.10 -0.11 -0.04 4.32 4.09 3fpvH1 THR 113 HG23 0.52 0.04 -0.26 -0.04 1.22 1.48 3fpvH1 LEU 114 H -0.01 0.29 -0.01 -0.55 8.37 8.09 3fpvH1 LEU 114 HA 0.10 0.16 0.56 -0.75 4.35 4.42 3fpvH1 LEU 114 HB2 0.04 0.07 -0.11 -0.04 1.64 1.60 3fpvH1 LEU 114 HB3 0.02 -0.07 -0.09 -0.04 1.64 1.46 3fpvH1 LEU 114 HG 0.03 -0.05 -0.27 -0.04 1.64 1.31 3fpvH1 LEU 114 HD13 0.06 0.00 -0.06 -0.04 0.93 0.88 3fpvH1 LEU 114 HD23 0.03 0.01 -0.04 -0.04 0.89 0.84 3fpvH1 PHE 115 H 0.29 0.22 -0.06 -0.55 8.34 8.24 3fpvH1 PHE 115 HA -0.00 0.10 0.49 -0.75 4.62 4.47 3fpvH1 PHE 115 HB2 -0.03 0.01 0.13 -0.04 3.15 3.22 3fpvH1 PHE 115 HB3 -0.06 -0.00 0.04 -0.04 3.06 3.00 3fpvH1 PHE 115 HD2 -0.09 -0.02 -0.29 -0.04 7.28 6.85 3fpvH1 PHE 115 HE2 -0.34 0.12 -0.14 -0.04 7.38 6.97 3fpvH1 PHE 115 HZ -0.87 0.06 -0.12 -0.04 7.32 6.35 3fpvH1 LEU 116 H 0.01 0.40 0.06 -0.55 8.37 8.29 3fpvH1 LEU 116 HA 0.05 0.09 0.76 -0.75 4.35 4.49 3fpvH1 LEU 116 HB2 0.05 0.09 -0.36 -0.04 1.64 1.38 3fpvH1 LEU 116 HB3 0.03 0.01 -0.19 -0.04 1.64 1.45 3fpvH1 LEU 116 HG 0.02 0.12 -0.23 -0.04 1.64 1.50 3fpvH1 LEU 116 HD13 0.02 -0.03 0.05 -0.04 0.93 0.93 3fpvH1 LEU 116 HD23 0.03 -0.00 -0.08 -0.04 0.89 0.80 3fpvH1 ALA 117 H 0.02 0.13 0.07 -0.55 8.40 8.07 3fpvH1 ALA 117 HA 0.00 -0.18 0.20 -0.75 4.34 3.61 3fpvH1 ALA 117 HB3 -0.01 -0.01 -0.07 -0.04 1.41 1.28 3fpvH1 GLY 118 H -0.00 -0.03 0.31 -0.55 8.43 8.16 3fpvH1 GLY 118 HA2 -0.01 -0.10 0.20 -0.51 4.01 3.59 3fpvH1 GLY 118 HA3 0.01 0.36 0.94 -0.51 4.01 4.81 3fpvH1 GLY 119 H -0.00 0.03 0.28 -0.55 8.43 8.19 3fpvH1 GLY 119 HA2 0.01 0.44 1.06 -0.51 4.01 5.01 3fpvH1 GLY 119 HA3 0.00 0.11 0.25 -0.51 4.01 3.86 3fpvH1 THR 120 H 0.01 0.62 0.30 -0.55 8.28 8.66 3fpvH1 THR 120 HA 0.01 0.11 0.82 -0.75 4.39 4.58 3fpvH1 THR 120 HB 0.00 -0.10 -0.15 -0.04 4.32 4.03 3fpvH1 THR 120 HG23 0.01 0.03 -0.20 -0.04 1.22 1.02 3fpvH1 PRO 121 HA -0.00 0.13 0.51 -0.51 4.44 4.57 3fpvH1 PRO 121 HB2 0.00 0.06 -0.15 -0.04 2.28 2.15 3fpvH1 PRO 121 HB3 0.01 0.10 -0.16 -0.04 2.02 1.93 3fpvH1 PRO 121 HG2 0.01 0.05 -0.13 -0.04 2.03 1.93 3fpvH1 PRO 121 HG3 0.02 0.03 -0.46 -0.04 2.03 1.58 3fpvH1 PRO 121 HD2 0.01 0.08 0.07 -0.04 3.68 3.80 3fpvH1 PRO 121 HD3 0.01 0.13 -0.40 -0.04 3.65 3.35 3fpvH1 VAL 122 H -0.00 0.76 0.37 -0.55 8.24 8.81 3fpvH1 VAL 122 HA 0.01 0.22 0.88 -0.75 4.13 4.48 3fpvH1 VAL 122 HB 0.00 -0.13 0.04 -0.04 2.12 1.99 3fpvH1 VAL 122 HG13 0.01 0.03 -0.03 -0.04 0.97 0.95 3fpvH1 VAL 122 HG23 0.01 0.02 -0.20 -0.04 0.95 0.74 3fpvH1 THR 123 H 0.00 0.23 0.12 -0.55 8.28 8.08 3fpvH1 THR 123 HA -0.02 0.22 0.75 -0.75 4.39 4.59 3fpvH1 THR 123 HB -0.01 -0.15 -0.35 -0.04 4.32 3.77 3fpvH1 THR 123 HG23 -0.01 0.02 -0.48 -0.04 1.22 0.72 3fpvH1 ALA 124 H -0.02 0.88 0.08 -0.55 8.40 8.79 3fpvH1 ALA 124 HA -0.01 0.09 0.65 -0.75 4.34 4.32 3fpvH1 ALA 124 HB3 -0.03 0.02 -0.07 -0.04 1.41 1.30 3fpvH1 LYS 125 H -0.01 0.15 0.05 -0.55 8.42 8.06 3fpvH1 LYS 125 HA -0.01 0.04 0.25 -0.75 4.32 3.85 3fpvH1 LYS 125 HB2 -0.01 0.06 0.37 -0.04 1.87 2.25 3fpvH1 LYS 125 HB3 -0.01 0.01 0.15 -0.04 1.79 1.90 3fpvH1 LYS 125 HG2 -0.01 -0.07 -0.03 -0.04 1.46 1.31 3fpvH1 LYS 125 HG3 -0.02 0.08 -0.16 -0.04 1.46 1.33 3fpvH1 LYS 125 HD2 -0.01 0.02 0.04 -0.04 1.69 1.69 3fpvH1 LYS 125 HD3 -0.01 -0.00 0.01 -0.04 1.68 1.64 3fpvH1 LYS 125 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 3fpvH1 LYS 125 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 3fpvH1 GLY 126 H -0.01 0.06 -0.36 -0.55 8.43 7.58 3fpvH1 GLY 126 HA2 -0.00 0.00 0.19 -0.51 4.01 3.69 3fpvH1 GLY 126 HA3 -0.01 0.11 -0.04 -0.51 4.01 3.56 3fpvH1 ALA 127 H -0.02 0.41 -0.66 -0.55 8.40 7.58 3fpvH1 ALA 127 HA -0.02 0.20 0.76 -0.75 4.34 4.52 3fpvH1 ALA 127 HB3 -0.04 0.03 0.07 -0.04 1.41 1.44 3fpvH1 PRO 128 HA -0.03 0.06 0.43 -0.51 4.44 4.39 3fpvH1 PRO 128 HB2 -0.05 0.07 0.05 -0.04 2.28 2.30 3fpvH1 PRO 128 HB3 -0.03 -0.03 0.10 -0.04 2.02 2.02 3fpvH1 PRO 128 HG2 -0.07 0.05 0.15 -0.04 2.03 2.13 3fpvH1 PRO 128 HG3 -0.04 0.08 0.06 -0.04 2.03 2.08 3fpvH1 PRO 128 HD2 -0.04 0.07 0.23 -0.04 3.68 3.90 3fpvH1 PRO 128 HD3 -0.02 0.21 0.25 -0.04 3.65 4.05 3fpvH1 VAL 129 H -0.03 0.64 0.52 -0.55 8.24 8.82 3fpvH1 VAL 129 HA -0.06 0.24 1.05 -0.75 4.13 4.60 3fpvH1 VAL 129 HB -0.04 -0.15 0.01 -0.04 2.12 1.90 3fpvH1 VAL 129 HG13 -0.09 0.05 -0.23 -0.04 0.97 0.67 3fpvH1 VAL 129 HG23 -0.02 -0.00 -0.26 -0.04 0.95 0.63 3fpvH1 ALA 130 H -0.02 0.38 0.38 -0.55 8.40 8.59 3fpvH1 ALA 130 HA 0.00 0.25 0.77 -0.75 4.34 4.60 3fpvH1 ALA 130 HB3 0.01 -0.02 -0.07 -0.04 1.41 1.29 3fpvH1 GLY 131 H -0.00 0.75 0.35 -0.55 8.43 8.98 3fpvH1 GLY 131 HA2 -0.00 0.14 0.71 -0.51 4.01 4.34 3fpvH1 GLY 131 HA3 -0.01 0.22 0.46 -0.51 4.01 4.18 3fpvH1 ILE 132 H 0.01 0.66 0.26 -0.55 8.25 8.63 3fpvH1 ILE 132 HA 0.01 0.31 1.15 -0.75 4.18 4.89 3fpvH1 ILE 132 HB 0.02 0.05 0.22 -0.04 1.89 2.13 3fpvH1 ILE 132 HG12 0.01 -0.01 -0.03 -0.04 1.49 1.43 3fpvH1 ILE 132 HG13 0.01 -0.10 -0.34 -0.04 1.21 0.74 3fpvH1 ILE 132 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.81 3fpvH1 ILE 132 HD13 0.02 0.00 -0.17 -0.04 0.88 0.68 3fpvH1 GLY 133 H 0.00 0.58 0.33 -0.55 8.43 8.79 3fpvH1 GLY 133 HA2 0.01 0.21 1.05 -0.51 4.01 4.77 3fpvH1 GLY 133 HA3 0.00 0.16 0.46 -0.51 4.01 4.12 3fpvH1 VAL 134 H 0.02 0.71 0.34 -0.55 8.24 8.76 3fpvH1 VAL 134 HA 0.03 0.33 1.08 -0.75 4.13 4.82 3fpvH1 VAL 134 HB 0.07 0.04 0.14 -0.04 2.12 2.33 3fpvH1 VAL 134 HG13 0.14 -0.03 -0.11 -0.04 0.97 0.92 3fpvH1 VAL 134 HG23 0.07 -0.01 -0.21 -0.04 0.95 0.76 3fpvH1 ALA 135 H 0.04 0.64 0.35 -0.55 8.40 8.89 3fpvH1 ALA 135 HA 0.04 0.09 0.72 -0.75 4.34 4.44 3fpvH1 ALA 135 HB3 0.03 0.07 0.01 -0.04 1.41 1.48 3fpvH1 GLY 136 H 0.06 0.14 0.15 -0.55 8.43 8.23 3fpvH1 GLY 136 HA2 0.05 0.01 0.21 -0.51 4.01 3.77 3fpvH1 GLY 136 HA3 0.07 0.15 0.59 -0.51 4.01 4.31 3fpvH1 ALA 137 H 0.09 -0.08 -0.03 -0.55 8.40 7.82 3fpvH1 ALA 137 HA 0.08 0.20 0.61 -0.75 4.34 4.48 3fpvH1 ALA 137 HB3 0.17 0.01 -0.00 -0.04 1.41 1.54 3fpvH1 PRO 138 HA 0.03 0.11 0.34 -0.51 4.44 4.41 3fpvH1 PRO 138 HB2 0.02 -0.04 0.02 -0.04 2.28 2.24 3fpvH1 PRO 138 HB3 0.02 0.06 0.10 -0.04 2.02 2.17 3fpvH1 PRO 138 HG2 0.04 0.07 0.08 -0.04 2.03 2.18 3fpvH1 PRO 138 HG3 0.03 0.11 0.11 -0.04 2.03 2.24 3fpvH1 PRO 138 HD2 0.08 0.04 0.17 -0.04 3.68 3.93 3fpvH1 PRO 138 HD3 0.06 0.17 0.22 -0.04 3.65 4.06 3fpvH1 SER 139 H 0.01 0.10 -0.23 -0.55 8.46 7.81 3fpvH1 SER 139 HA 0.01 0.26 0.64 -0.75 4.49 4.64 3fpvH1 SER 139 HB2 -0.01 -0.02 0.16 -0.04 3.95 4.03 3fpvH1 SER 139 HB3 -0.00 0.18 -0.11 -0.04 3.93 3.96 3fpvH1 GLY 140 H -0.00 0.25 0.15 -0.55 8.43 8.29 3fpvH1 GLY 140 HA2 -0.00 0.14 0.50 -0.51 4.01 4.14 3fpvH1 GLY 140 HA3 -0.00 0.15 0.36 -0.51 4.01 4.01 3fpvH1 ASP 141 H -0.03 0.12 -0.16 -0.55 8.40 7.79 3fpvH1 ASP 141 HA -0.05 0.06 0.49 -0.75 4.63 4.39 3fpvH1 ASP 141 HB2 -0.04 -0.02 0.06 -0.04 2.71 2.67 3fpvH1 ASP 141 HB3 -0.05 0.10 -0.09 -0.04 2.70 2.61 3fpvH1 LEU 142 H -0.08 0.11 -0.30 -0.55 8.37 7.55 3fpvH1 LEU 142 HA -0.33 0.13 0.52 -0.75 4.35 3.92 3fpvH1 LEU 142 HB2 -0.07 0.04 0.08 -0.04 1.64 1.65 3fpvH1 LEU 142 HB3 -0.25 0.07 -0.01 -0.04 1.64 1.41 3fpvH1 LEU 142 HG -0.06 -0.08 -0.01 -0.04 1.64 1.45 3fpvH1 LEU 142 HD13 0.02 0.01 0.02 -0.04 0.93 0.94 3fpvH1 LEU 142 HD23 -0.11 0.03 -0.03 -0.04 0.89 0.74 3fpvH1 ASP 143 H -0.07 0.32 -0.19 -0.55 8.40 7.91 3fpvH1 ASP 143 HA 0.06 0.02 0.42 -0.75 4.63 4.38 3fpvH1 ASP 143 HB2 -0.01 0.21 0.22 -0.04 2.71 3.09 3fpvH1 ASP 143 HB3 0.02 0.21 0.08 -0.04 2.70 2.98 3fpvH1 GLU 144 H -0.07 0.48 -0.25 -0.55 8.60 8.20 3fpvH1 GLU 144 HA -0.02 0.10 0.33 -0.75 4.29 3.95 3fpvH1 GLU 144 HB2 -0.03 0.03 0.12 -0.04 2.09 2.16 3fpvH1 GLU 144 HB3 -0.05 0.12 0.00 -0.04 1.99 2.03 3fpvH1 GLU 144 HG2 -0.01 0.10 -0.01 -0.04 2.34 2.37 3fpvH1 GLU 144 HG3 -0.01 -0.03 -0.15 -0.04 2.34 2.12 3fpvH1 GLN 145 H -0.19 0.32 -0.34 -0.55 8.47 7.72 3fpvH1 GLN 145 HA -0.08 0.06 0.60 -0.75 4.36 4.18 3fpvH1 GLN 145 HB2 -0.20 0.06 0.15 -0.04 2.15 2.12 3fpvH1 GLN 145 HB3 -0.52 0.14 0.13 -0.04 2.02 1.73 3fpvH1 GLN 145 HG2 -0.06 -0.01 -0.11 -0.04 2.40 2.18 3fpvH1 GLN 145 HG3 -0.07 -0.02 0.04 -0.04 2.39 2.30 3fpvH1 GLN 145 HE21 -0.06 -0.00 -0.02 -0.04 6.97 6.85 3fpvH1 GLN 145 HE22 -0.08 -0.02 -0.02 -0.04 7.69 7.53 3fpvH1 TYR 146 H -0.36 0.49 -0.13 -0.55 8.29 7.74 3fpvH1 TYR 146 HA 0.00 0.06 0.53 -0.75 4.56 4.39 3fpvH1 TYR 146 HB2 0.00 0.06 0.07 -0.04 3.06 3.15 3fpvH1 TYR 146 HB3 0.00 0.12 0.07 -0.04 2.98 3.14 3fpvH1 TYR 146 HD2 -0.00 -0.07 -0.14 -0.04 7.15 6.90 3fpvH1 TYR 146 HE2 -0.01 -0.05 -0.09 -0.04 6.85 6.66 3fpvH1 ALA 147 H 0.05 0.48 -0.12 -0.55 8.40 8.26 3fpvH1 ALA 147 HA 0.06 0.02 0.50 -0.75 4.34 4.16 3fpvH1 ALA 147 HB3 0.02 0.04 0.07 -0.04 1.41 1.51 3fpvH1 ARG 148 H 0.01 0.47 -0.28 -0.55 8.46 8.11 3fpvH1 ARG 148 HA 0.02 0.04 0.51 -0.75 4.34 4.16 3fpvH1 ARG 148 HB2 -0.00 0.12 0.24 -0.04 1.90 2.22 3fpvH1 ARG 148 HB3 0.01 -0.01 -0.03 -0.04 1.80 1.73 3fpvH1 ARG 148 HG2 0.00 -0.00 0.05 -0.04 1.67 1.68 3fpvH1 ARG 148 HG3 -0.00 -0.01 0.04 -0.04 1.67 1.66 3fpvH1 ARG 148 HD2 -0.00 0.01 0.00 -0.04 3.22 3.18 3fpvH1 ARG 148 HD3 -0.01 -0.04 0.01 -0.04 3.22 3.15 3fpvH1 ALA 149 H 0.06 0.38 -0.24 -0.55 8.40 8.06 3fpvH1 ALA 149 HA 0.05 0.04 0.45 -0.75 4.34 4.12 3fpvH1 ALA 149 HB3 0.09 0.03 0.09 -0.04 1.41 1.58 3fpvH1 GLY 150 H 0.06 0.39 -0.36 -0.55 8.43 7.98 3fpvH1 GLY 150 HA2 0.03 0.03 0.58 -0.51 4.01 4.15 3fpvH1 GLY 150 HA3 0.04 0.07 0.28 -0.51 4.01 3.88 3fpvH1 ALA 151 H 0.03 0.43 -0.16 -0.55 8.40 8.16 3fpvH1 ALA 151 HA 0.03 -0.02 0.40 -0.75 4.34 3.99 3fpvH1 ALA 151 HB3 0.02 0.02 0.08 -0.04 1.41 1.49 3fpvH1 ALA 152 H 0.04 0.18 -0.69 -0.55 8.40 7.39 3fpvH1 ALA 152 HA 0.06 0.07 0.30 -0.75 4.34 4.02 3fpvH1 ALA 152 HB3 0.04 0.03 0.06 -0.04 1.41 1.50 3fpvH1 VAL 153 H 0.06 0.28 -0.32 -0.55 8.24 7.71 3fpvH1 VAL 153 HA 0.12 0.06 0.44 -0.75 4.13 3.99 3fpvH1 VAL 153 HB 0.01 -0.08 0.08 -0.04 2.12 2.09 3fpvH1 VAL 153 HG13 0.04 0.03 0.03 -0.04 0.97 1.03 3fpvH1 VAL 153 HG23 0.01 0.10 -0.17 -0.04 0.95 0.85 3fpvH1 LEU 154 H 0.06 0.26 -0.50 -0.55 8.37 7.64 3fpvH1 LEU 154 HA -0.03 0.05 0.84 -0.75 4.35 4.45 3fpvH1 LEU 154 HB2 0.04 0.19 0.10 -0.04 1.64 1.93 3fpvH1 LEU 154 HB3 0.02 -0.08 0.01 -0.04 1.64 1.55 3fpvH1 LEU 154 HG 0.01 -0.01 -0.09 -0.04 1.64 1.51 3fpvH1 LEU 154 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.90 3fpvH1 LEU 154 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.82 3fpvH1 GLY 155 H 0.02 0.06 -0.06 -0.55 8.43 7.91 3fpvH1 GLY 155 HA2 -0.39 0.27 -0.07 -0.51 4.01 3.30 3fpvH1 GLY 155 HA3 -0.12 -0.01 0.39 -0.51 4.01 3.77 3fpvH1 HIS 156 H -0.50 0.11 -0.03 -0.55 8.41 7.44 3fpvH1 HIS 156 HA 0.00 -0.07 -0.02 -0.75 4.63 3.79 3fpvH1 HIS 156 HB2 0.00 0.00 0.06 -0.04 3.26 3.29 3fpvH1 HIS 156 HB3 0.00 0.06 0.07 -0.04 3.20 3.29 3fpvH1 HIS 156 HD2 0.00 -0.04 0.00 -0.04 6.97 6.89 3fpvH1 HIS 156 HE1 0.01 0.25 0.03 -0.04 7.75 8.00