============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 3 0.900 94.903 27.102 44.829 -99.200 -91.000 TRP 11 1.040 92.180 34.120 53.389 -99.200 -91.000 TRP6 11 1.020 93.708 35.706 54.248 -99.200 -91.000 HIS 15 0.900 90.954 39.839 56.174 -99.200 -91.000 TRP 35 1.040 80.488 29.633 58.114 -99.200 -91.000 TRP6 35 1.020 82.708 29.345 58.722 -99.200 -91.000 HIS 40 0.900 84.026 23.801 48.405 -99.200 -91.000 TYR 41 0.840 85.962 27.712 46.892 -99.200 -91.000 TYR 42 0.840 90.331 30.550 50.639 -99.200 -91.000 TRP 46 1.040 94.996 31.988 62.139 -99.200 -91.000 TRP6 46 1.020 95.001 34.157 62.934 -99.200 -91.000 TYR 58 0.840 81.906 42.642 70.271 -99.200 -91.000 TYR 63 0.840 74.101 41.777 60.019 -99.200 -91.000 TYR 67 0.840 70.069 40.386 55.735 -99.200 -91.000 TYR 87 0.840 92.936 21.441 70.674 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ha4B1 GLN 65 HA 0.02 0.01 0.20 -0.75 4.36 3.84 3ha4B1 GLN 65 HB2 0.00 0.00 0.01 -0.04 2.15 2.12 3ha4B1 GLN 65 HB3 0.01 0.02 0.02 -0.04 2.02 2.03 3ha4B1 GLN 65 HG2 0.01 0.02 0.04 -0.04 2.40 2.42 3ha4B1 GLN 65 HG3 0.01 -0.02 0.07 -0.04 2.39 2.41 3ha4B1 GLN 65 HE21 -0.01 0.02 0.01 -0.04 6.97 6.95 3ha4B1 GLN 65 HE22 -0.00 -0.00 0.00 -0.04 7.69 7.64 3ha4B1 ARG 66 H 0.02 0.22 0.16 -0.55 8.46 8.30 3ha4B1 ARG 66 HA 0.10 0.10 0.72 -0.75 4.34 4.51 3ha4B1 ARG 66 HB2 -0.08 0.00 0.19 -0.04 1.90 1.97 3ha4B1 ARG 66 HB3 -0.04 0.07 0.05 -0.04 1.80 1.84 3ha4B1 ARG 66 HG2 -0.39 -0.03 0.05 -0.04 1.67 1.26 3ha4B1 ARG 66 HG3 -0.14 -0.06 0.02 -0.04 1.67 1.45 3ha4B1 ARG 66 HD2 -1.00 0.06 0.07 -0.04 3.22 2.31 3ha4B1 ARG 66 HD3 -0.31 -0.07 0.06 -0.04 3.22 2.86 3ha4B1 HIS 67 H 0.14 0.19 -0.07 -0.55 8.41 8.12 3ha4B1 HIS 67 HA 0.03 0.16 0.41 -0.75 4.63 4.47 3ha4B1 HIS 67 HB2 0.01 0.02 0.10 -0.04 3.26 3.35 3ha4B1 HIS 67 HB3 0.01 0.04 0.06 -0.04 3.20 3.27 3ha4B1 HIS 67 HD2 0.01 -0.01 -0.03 -0.04 6.97 6.90 3ha4B1 HIS 67 HE1 0.05 -0.04 0.05 -0.04 7.75 7.76 3ha4B1 ASN 68 H 0.02 0.10 -0.66 -0.55 8.53 7.44 3ha4B1 ASN 68 HA -0.20 0.18 0.74 -0.75 4.76 4.72 3ha4B1 ASN 68 HB2 -0.02 0.03 -0.06 -0.04 2.88 2.78 3ha4B1 ASN 68 HB3 -0.07 -0.02 0.05 -0.04 2.79 2.71 3ha4B1 ASN 68 HD21 0.03 0.00 -0.11 -0.04 7.03 6.91 3ha4B1 ASN 68 HD22 -0.11 0.03 -0.13 -0.04 7.74 7.48 3ha4B1 ASP 69 H 0.04 0.08 -0.28 -0.55 8.40 7.70 3ha4B1 ASP 69 HA 0.03 0.05 0.47 -0.75 4.63 4.43 3ha4B1 ASP 69 HB2 0.19 0.11 0.18 -0.04 2.71 3.15 3ha4B1 ASP 69 HB3 0.10 0.03 0.10 -0.04 2.70 2.89 3ha4B1 PRO 70 HA -0.03 0.16 0.54 -0.51 4.44 4.59 3ha4B1 PRO 70 HB2 -0.01 -0.01 -0.02 -0.04 2.28 2.20 3ha4B1 PRO 70 HB3 -0.01 0.01 0.12 -0.04 2.02 2.10 3ha4B1 PRO 70 HG2 -0.00 -0.01 0.09 -0.04 2.03 2.06 3ha4B1 PRO 70 HG3 -0.01 0.10 0.11 -0.04 2.03 2.18 3ha4B1 PRO 70 HD2 0.01 0.03 0.23 -0.04 3.68 3.90 3ha4B1 PRO 70 HD3 0.00 0.20 0.27 -0.04 3.65 4.08 3ha4B1 ARG 71 H -0.01 0.04 -0.32 -0.55 8.46 7.62 3ha4B1 ARG 71 HA -0.03 0.22 0.69 -0.75 4.34 4.46 3ha4B1 ARG 71 HB2 0.04 -0.02 0.01 -0.04 1.90 1.89 3ha4B1 ARG 71 HB3 0.02 -0.00 0.11 -0.04 1.80 1.88 3ha4B1 ARG 71 HG2 0.01 -0.04 -0.10 -0.04 1.67 1.50 3ha4B1 ARG 71 HG3 0.01 -0.01 -0.02 -0.04 1.67 1.60 3ha4B1 ARG 71 HD2 -0.01 0.07 -0.31 -0.04 3.22 2.94 3ha4B1 ARG 71 HD3 -0.00 -0.03 -0.07 -0.04 3.22 3.08 3ha4B1 ARG 72 H -0.17 0.25 -0.47 -0.55 8.46 7.51 3ha4B1 ARG 72 HA -1.05 0.09 0.64 -0.75 4.34 3.27 3ha4B1 ARG 72 HB2 -0.94 0.01 0.06 -0.04 1.90 1.00 3ha4B1 ARG 72 HB3 -0.26 0.18 0.03 -0.04 1.80 1.71 3ha4B1 ARG 72 HG2 -0.16 -0.04 -0.58 -0.04 1.67 0.85 3ha4B1 ARG 72 HG3 -0.84 -0.02 -0.07 -0.04 1.67 0.70 3ha4B1 ARG 72 HD2 0.00 -0.05 -0.04 -0.04 3.22 3.10 3ha4B1 ARG 72 HD3 0.00 0.10 0.02 -0.04 3.22 3.30 3ha4B1 PRO 73 HA -0.01 0.12 0.39 -0.51 4.44 4.43 3ha4B1 PRO 73 HB2 0.06 -0.05 -0.10 -0.04 2.28 2.15 3ha4B1 PRO 73 HB3 0.01 0.01 0.00 -0.04 2.02 2.01 3ha4B1 PRO 73 HG2 0.10 -0.03 0.03 -0.04 2.03 2.09 3ha4B1 PRO 73 HG3 0.02 0.08 0.06 -0.04 2.03 2.15 3ha4B1 PRO 73 HD2 -0.13 0.06 0.12 -0.04 3.68 3.68 3ha4B1 PRO 73 HD3 -0.35 0.20 0.31 -0.04 3.65 3.77 3ha4B1 PRO 74 HA 0.20 0.11 0.37 -0.51 4.44 4.60 3ha4B1 PRO 74 HB2 0.06 -0.16 0.06 -0.04 2.28 2.19 3ha4B1 PRO 74 HB3 0.09 0.07 0.12 -0.04 2.02 2.26 3ha4B1 PRO 74 HG2 0.03 0.00 0.09 -0.04 2.03 2.11 3ha4B1 PRO 74 HG3 0.04 0.16 0.11 -0.04 2.03 2.29 3ha4B1 PRO 74 HD2 0.02 -0.01 0.16 -0.04 3.68 3.81 3ha4B1 PRO 74 HD3 0.01 0.27 0.24 -0.04 3.65 4.13 3ha4B1 TRP 75 H 0.24 0.18 0.18 -0.55 7.97 8.03 3ha4B1 TRP 75 HA -0.36 0.09 0.28 -0.75 4.62 3.88 3ha4B1 TRP 75 HB2 -1.02 0.10 0.14 -0.04 3.23 2.41 3ha4B1 TRP 75 HB3 -0.28 0.04 0.13 -0.04 3.23 3.08 3ha4B1 TRP 75 HD1 -0.92 0.10 0.03 -0.04 7.22 6.39 3ha4B1 TRP 75 HE1 -0.19 -0.10 0.01 -0.04 10.20 9.87 3ha4B1 TRP 75 HE3 -0.17 0.05 -0.15 -0.04 7.59 7.27 3ha4B1 TRP 75 HZ2 -0.36 -0.14 -0.07 -0.04 7.44 6.82 3ha4B1 TRP 75 HZ3 -0.22 0.04 -0.08 -0.04 7.13 6.83 3ha4B1 TRP 75 HH2 -0.43 0.04 -0.09 -0.04 7.19 6.67 3ha4B1 PRO 76 HA -0.45 0.07 0.43 -0.51 4.44 3.97 3ha4B1 PRO 76 HB2 -0.01 0.05 -0.03 -0.04 2.28 2.25 3ha4B1 PRO 76 HB3 -0.00 0.06 0.04 -0.04 2.02 2.08 3ha4B1 PRO 76 HG2 0.11 0.09 0.03 -0.04 2.03 2.21 3ha4B1 PRO 76 HG3 0.28 0.07 0.03 -0.04 2.03 2.37 3ha4B1 PRO 76 HD2 0.11 0.05 -0.19 -0.04 3.68 3.61 3ha4B1 PRO 76 HD3 0.33 0.09 0.11 -0.04 3.65 4.14 3ha4B1 LEU 77 H -0.05 0.26 -0.24 -0.55 8.37 7.79 3ha4B1 LEU 77 HA -0.07 0.05 0.47 -0.75 4.35 4.04 3ha4B1 LEU 77 HB2 -0.02 0.11 0.10 -0.04 1.64 1.79 3ha4B1 LEU 77 HB3 -0.03 0.02 -0.08 -0.04 1.64 1.51 3ha4B1 LEU 77 HG -0.02 0.01 0.01 -0.04 1.64 1.59 3ha4B1 LEU 77 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.81 3ha4B1 LEU 77 HD23 -0.00 0.01 0.02 -0.04 0.89 0.87 3ha4B1 LEU 78 H -0.13 0.52 -0.21 -0.55 8.37 8.00 3ha4B1 LEU 78 HA -0.06 0.03 0.43 -0.75 4.35 4.00 3ha4B1 LEU 78 HB2 0.04 0.08 -0.08 -0.04 1.64 1.64 3ha4B1 LEU 78 HB3 -0.16 0.05 0.02 -0.04 1.64 1.50 3ha4B1 LEU 78 HG -0.02 -0.07 -0.23 -0.04 1.64 1.28 3ha4B1 LEU 78 HD13 0.07 -0.00 0.03 -0.04 0.93 0.98 3ha4B1 LEU 78 HD23 0.28 0.02 -0.12 -0.04 0.89 1.03 3ha4B1 HIS 79 H -0.51 0.73 -0.12 -0.55 8.41 7.97 3ha4B1 HIS 79 HA -0.41 -0.02 0.39 -0.75 4.63 3.84 3ha4B1 HIS 79 HB2 -1.61 -0.04 0.06 -0.04 3.26 1.63 3ha4B1 HIS 79 HB3 -0.90 0.13 0.14 -0.04 3.20 2.53 3ha4B1 HIS 79 HD2 -0.29 -0.08 -0.13 -0.04 6.97 6.42 3ha4B1 HIS 79 HE1 -0.12 0.02 -0.08 -0.04 7.75 7.53 3ha4B1 GLN 80 H -0.20 0.46 -0.33 -0.55 8.47 7.85 3ha4B1 GLN 80 HA -0.19 0.02 0.34 -0.75 4.36 3.77 3ha4B1 GLN 80 HB2 -0.08 0.11 0.13 -0.04 2.15 2.27 3ha4B1 GLN 80 HB3 -0.09 0.12 0.13 -0.04 2.02 2.14 3ha4B1 GLN 80 HG2 -0.07 -0.01 -0.16 -0.04 2.40 2.12 3ha4B1 GLN 80 HG3 -0.06 -0.03 0.01 -0.04 2.39 2.26 3ha4B1 GLN 80 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.84 3ha4B1 GLN 80 HE22 -0.05 0.04 -0.01 -0.04 7.69 7.63 3ha4B1 ARG 81 H -0.13 0.48 -0.22 -0.55 8.46 8.04 3ha4B1 ARG 81 HA -0.07 0.02 0.36 -0.75 4.34 3.90 3ha4B1 ARG 81 HB2 -0.07 0.15 0.17 -0.04 1.90 2.11 3ha4B1 ARG 81 HB3 -0.04 -0.07 -0.07 -0.04 1.80 1.58 3ha4B1 ARG 81 HG2 -0.03 0.00 -0.01 -0.04 1.67 1.59 3ha4B1 ARG 81 HG3 -0.04 -0.03 0.01 -0.04 1.67 1.57 3ha4B1 ARG 81 HD2 -0.03 -0.04 -0.04 -0.04 3.22 3.07 3ha4B1 ARG 81 HD3 -0.05 0.28 0.03 -0.04 3.22 3.44 3ha4B1 VAL 82 H -0.17 0.51 -0.28 -0.55 8.24 7.75 3ha4B1 VAL 82 HA -0.06 -0.03 0.33 -0.75 4.13 3.62 3ha4B1 VAL 82 HB -0.23 0.13 0.12 -0.04 2.12 2.11 3ha4B1 VAL 82 HG13 -0.06 -0.01 -0.13 -0.04 0.97 0.72 3ha4B1 VAL 82 HG23 -0.02 0.05 -0.02 -0.04 0.95 0.92 3ha4B1 VAL 83 H -0.28 0.48 -0.33 -0.55 8.24 7.55 3ha4B1 VAL 83 HA -0.15 0.01 0.30 -0.75 4.13 3.53 3ha4B1 VAL 83 HB -0.22 0.19 0.10 -0.04 2.12 2.15 3ha4B1 VAL 83 HG13 -0.09 -0.02 -0.03 -0.04 0.97 0.79 3ha4B1 VAL 83 HG23 -0.53 0.07 0.02 -0.04 0.95 0.48 3ha4B1 LEU 84 H -0.10 0.38 -0.68 -0.55 8.37 7.42 3ha4B1 LEU 84 HA -0.05 0.10 0.39 -0.75 4.35 4.03 3ha4B1 LEU 84 HB2 -0.06 0.33 0.12 -0.04 1.64 2.00 3ha4B1 LEU 84 HB3 -0.04 -0.14 -0.38 -0.04 1.64 1.05 3ha4B1 LEU 84 HG -0.07 0.13 -0.03 -0.04 1.64 1.63 3ha4B1 LEU 84 HD13 -0.05 -0.02 0.00 -0.04 0.93 0.83 3ha4B1 LEU 84 HD23 -0.04 0.05 -0.02 -0.04 0.89 0.83 3ha4B1 LEU 85 H -0.03 0.42 -0.23 -0.55 8.37 7.98 3ha4B1 LEU 85 HA 0.03 -0.14 0.28 -0.75 4.35 3.77 3ha4B1 LEU 85 HB2 0.00 0.43 0.18 -0.04 1.64 2.21 3ha4B1 LEU 85 HB3 0.08 0.02 -0.10 -0.04 1.64 1.59 3ha4B1 LEU 85 HG 0.10 -0.01 0.02 -0.04 1.64 1.71 3ha4B1 LEU 85 HD13 0.02 0.00 -0.08 -0.04 0.93 0.83 3ha4B1 LEU 85 HD23 0.00 0.00 0.01 -0.04 0.89 0.87 3ha4B1 ARG 86 H 0.00 0.28 -0.20 -0.55 8.46 7.99 3ha4B1 ARG 86 HA 0.05 0.10 0.58 -0.75 4.34 4.32 3ha4B1 ARG 86 HB2 0.01 0.03 0.06 -0.04 1.90 1.96 3ha4B1 ARG 86 HB3 -0.00 0.04 -0.11 -0.04 1.80 1.69 3ha4B1 ARG 86 HG2 0.06 0.03 -0.02 -0.04 1.67 1.70 3ha4B1 ARG 86 HG3 0.08 -0.03 -0.04 -0.04 1.67 1.64 3ha4B1 ARG 86 HD2 0.13 -0.02 -0.27 -0.04 3.22 3.03 3ha4B1 ARG 86 HD3 0.05 0.02 -0.05 -0.04 3.22 3.19 3ha4B1 GLU 87 H -0.02 0.31 -0.28 -0.55 8.60 8.06 3ha4B1 GLU 87 HA -0.03 0.10 0.61 -0.75 4.29 4.21 3ha4B1 GLU 87 HB2 -0.03 0.15 0.11 -0.04 2.09 2.28 3ha4B1 GLU 87 HB3 -0.04 -0.01 0.04 -0.04 1.99 1.94 3ha4B1 GLU 87 HG2 -0.03 -0.01 -0.01 -0.04 2.34 2.24 3ha4B1 GLU 87 HG3 -0.03 -0.02 0.02 -0.04 2.34 2.27 3ha4B1 GLY 88 H -0.03 0.25 -0.85 -0.55 8.43 7.25 3ha4B1 GLY 88 HA2 -0.12 0.02 0.36 -0.51 4.01 3.76 3ha4B1 GLY 88 HA3 -0.14 0.01 0.33 -0.51 4.01 3.70 3ha4B1 LYS 89 H -0.04 0.29 -0.31 -0.55 8.42 7.81 3ha4B1 LYS 89 HA -0.05 0.14 0.49 -0.75 4.32 4.15 3ha4B1 LYS 89 HB2 -0.04 -0.03 0.11 -0.04 1.87 1.86 3ha4B1 LYS 89 HB3 -0.04 0.25 -0.49 -0.04 1.79 1.46 3ha4B1 LYS 89 HG2 -0.04 0.04 -0.02 -0.04 1.46 1.40 3ha4B1 LYS 89 HG3 -0.03 -0.05 0.24 -0.04 1.46 1.58 3ha4B1 LYS 89 HD2 -0.03 -0.00 -0.01 -0.04 1.69 1.61 3ha4B1 LYS 89 HD3 -0.03 -0.05 0.03 -0.04 1.68 1.58 3ha4B1 LYS 89 HE2 -0.03 -0.05 0.02 -0.04 2.99 2.89 3ha4B1 LYS 89 HE3 -0.03 0.11 -0.02 -0.04 2.99 3.00 3ha4B1 GLY 90 H -0.03 -0.00 -0.17 -0.55 8.43 7.68 3ha4B1 GLY 90 HA2 -0.03 0.28 0.63 -0.51 4.01 4.38 3ha4B1 GLY 90 HA3 -0.03 -0.02 0.36 -0.51 4.01 3.82 3ha4B1 ALA 91 H -0.03 0.16 -0.08 -0.55 8.40 7.91 3ha4B1 ALA 91 HA -0.05 0.20 0.54 -0.75 4.34 4.27 3ha4B1 ALA 91 HB3 -0.03 0.04 0.10 -0.04 1.41 1.48 3ha4B1 PRO 92 HA 0.04 0.07 0.25 -0.51 4.44 4.28 3ha4B1 PRO 92 HB2 -0.14 0.09 -0.08 -0.04 2.28 2.11 3ha4B1 PRO 92 HB3 0.23 0.09 0.06 -0.04 2.02 2.36 3ha4B1 PRO 92 HG2 -0.09 0.15 -0.05 -0.04 2.03 2.00 3ha4B1 PRO 92 HG3 -0.04 0.06 -0.14 -0.04 2.03 1.87 3ha4B1 PRO 92 HD2 -0.07 0.32 -0.26 -0.04 3.68 3.64 3ha4B1 PRO 92 HD3 -0.04 -0.23 -0.22 -0.04 3.65 3.12 3ha4B1 GLU 93 H -0.20 0.11 -0.56 -0.55 8.60 7.40 3ha4B1 GLU 93 HA -0.48 0.15 0.46 -0.75 4.29 3.67 3ha4B1 GLU 93 HB2 -0.06 0.03 -0.09 -0.04 2.09 1.92 3ha4B1 GLU 93 HB3 -0.12 0.06 0.10 -0.04 1.99 1.99 3ha4B1 GLU 93 HG2 -0.16 0.07 -0.01 -0.04 2.34 2.19 3ha4B1 GLU 93 HG3 -0.34 -0.12 -0.01 -0.04 2.34 1.83 3ha4B1 ASP 94 H -0.06 0.54 -0.38 -0.55 8.40 7.96 3ha4B1 ASP 94 HA 0.02 0.19 0.86 -0.75 4.63 4.94 3ha4B1 ASP 94 HB2 -0.01 0.20 0.10 -0.04 2.71 2.97 3ha4B1 ASP 94 HB3 0.02 -0.11 0.15 -0.04 2.70 2.72 3ha4B1 ILE 95 H -0.02 0.41 -0.29 -0.55 8.25 7.80 3ha4B1 ILE 95 HA 0.03 0.01 0.33 -0.75 4.18 3.80 3ha4B1 ILE 95 HB -0.01 0.04 0.01 -0.04 1.89 1.89 3ha4B1 ILE 95 HG12 -0.04 -0.14 0.11 -0.04 1.49 1.38 3ha4B1 ILE 95 HG13 -0.07 0.42 0.22 -0.04 1.21 1.75 3ha4B1 ILE 95 HG23 -0.05 -0.01 -0.08 -0.04 0.93 0.75 3ha4B1 ILE 95 HD13 -0.40 -0.02 -0.04 -0.04 0.88 0.38 3ha4B1 ALA 96 H 0.06 0.28 -0.21 -0.55 8.40 7.99 3ha4B1 ALA 96 HA 0.18 0.03 0.34 -0.75 4.34 4.14 3ha4B1 ALA 96 HB3 0.08 0.03 0.10 -0.04 1.41 1.58 3ha4B1 LEU 97 H 0.06 0.14 -0.15 -0.55 8.37 7.89 3ha4B1 LEU 97 HA 0.05 0.04 0.49 -0.75 4.35 4.17 3ha4B1 LEU 97 HB2 0.04 -0.00 0.12 -0.04 1.64 1.75 3ha4B1 LEU 97 HB3 0.04 0.07 0.19 -0.04 1.64 1.90 3ha4B1 LEU 97 HG 0.06 0.02 -0.34 -0.04 1.64 1.33 3ha4B1 LEU 97 HD13 0.04 -0.01 0.03 -0.04 0.93 0.95 3ha4B1 LEU 97 HD23 0.03 0.00 -0.01 -0.04 0.89 0.87 3ha4B1 MET 98 H 0.09 0.73 -0.05 -0.55 8.47 8.69 3ha4B1 MET 98 HA 0.11 0.01 0.33 -0.75 4.52 4.21 3ha4B1 MET 98 HB2 0.11 0.11 0.10 -0.04 2.15 2.43 3ha4B1 MET 98 HB3 0.10 -0.03 -0.03 -0.04 2.03 2.02 3ha4B1 MET 98 HG2 0.04 -0.02 -0.02 -0.04 2.63 2.59 3ha4B1 MET 98 HG3 0.04 0.09 -0.03 -0.04 2.56 2.62 3ha4B1 MET 98 HE3 -0.01 0.01 -0.08 -0.04 2.10 1.98 3ha4B1 TRP 99 H 0.30 0.63 -0.11 -0.55 7.97 8.25 3ha4B1 TRP 99 HA 0.06 -0.00 0.44 -0.75 4.62 4.37 3ha4B1 TRP 99 HB2 0.02 -0.01 0.06 -0.04 3.23 3.26 3ha4B1 TRP 99 HB3 0.02 0.11 0.11 -0.04 3.23 3.44 3ha4B1 TRP 99 HD1 0.02 -0.01 -0.06 -0.04 7.22 7.13 3ha4B1 TRP 99 HE1 0.03 -0.02 -0.04 -0.04 10.20 10.13 3ha4B1 TRP 99 HE3 0.07 -0.02 -0.01 -0.04 7.59 7.60 3ha4B1 TRP 99 HZ2 0.05 -0.02 -0.42 -0.04 7.44 7.00 3ha4B1 TRP 99 HZ3 0.10 -0.00 -0.13 -0.04 7.13 7.06 3ha4B1 TRP 99 HH2 0.07 0.07 -0.08 -0.04 7.19 7.21 3ha4B1 GLU 100 H 0.06 0.56 -0.12 -0.55 8.60 8.55 3ha4B1 GLU 100 HA -0.37 -0.00 0.50 -0.75 4.29 3.66 3ha4B1 GLU 100 HB2 -0.02 0.13 0.25 -0.04 2.09 2.41 3ha4B1 GLU 100 HB3 -0.10 -0.05 0.00 -0.04 1.99 1.80 3ha4B1 GLU 100 HG2 -0.01 0.19 0.09 -0.04 2.34 2.58 3ha4B1 GLU 100 HG3 -0.03 -0.05 0.01 -0.04 2.34 2.23 3ha4B1 GLN 101 H 0.06 0.70 -0.10 -0.55 8.47 8.58 3ha4B1 GLN 101 HA 0.15 0.01 0.46 -0.75 4.36 4.23 3ha4B1 GLN 101 HB2 0.18 0.15 0.14 -0.04 2.15 2.57 3ha4B1 GLN 101 HB3 0.31 -0.03 0.01 -0.04 2.02 2.27 3ha4B1 GLN 101 HG2 0.23 -0.02 0.05 -0.04 2.40 2.62 3ha4B1 GLN 101 HG3 0.10 0.18 0.08 -0.04 2.39 2.71 3ha4B1 GLN 101 HE21 0.05 -0.04 -0.02 -0.04 6.97 6.92 3ha4B1 GLN 101 HE22 0.10 0.06 0.02 -0.04 7.69 7.83 3ha4B1 THR 102 H 0.12 0.47 -0.22 -0.55 8.28 8.11 3ha4B1 THR 102 HA 0.38 0.01 0.69 -0.75 4.39 4.72 3ha4B1 THR 102 HB 0.38 -0.10 0.05 -0.04 4.32 4.61 3ha4B1 THR 102 HG23 0.32 -0.02 0.04 -0.04 1.22 1.53 3ha4B1 LYS 103 H -0.47 0.48 -0.13 -0.55 8.42 7.74 3ha4B1 LYS 103 HA -0.25 0.07 0.48 -0.75 4.32 3.86 3ha4B1 LYS 103 HB2 -0.51 0.05 0.18 -0.04 1.87 1.55 3ha4B1 LYS 103 HB3 -0.31 -0.03 -0.00 -0.04 1.79 1.41 3ha4B1 LYS 103 HG2 -0.62 0.00 -0.00 -0.04 1.46 0.80 3ha4B1 LYS 103 HG3 -2.27 0.07 0.01 -0.04 1.46 -0.77 3ha4B1 LYS 103 HD2 -0.23 -0.01 -0.02 -0.04 1.69 1.40 3ha4B1 LYS 103 HD3 -0.44 -0.06 -0.06 -0.04 1.68 1.08 3ha4B1 LYS 103 HE2 -0.80 0.07 -0.02 -0.04 2.99 2.20 3ha4B1 LYS 103 HE3 -0.31 0.01 0.00 -0.04 2.99 2.65 3ha4B1 HIS 104 H -0.13 0.59 -0.08 -0.55 8.41 8.24 3ha4B1 HIS 104 HA -0.26 0.02 0.31 -0.75 4.63 3.95 3ha4B1 HIS 104 HB2 -0.31 0.01 0.12 -0.04 3.26 3.04 3ha4B1 HIS 104 HB3 -0.56 0.02 0.16 -0.04 3.20 2.78 3ha4B1 HIS 104 HD2 -2.40 0.04 -0.13 -0.04 6.97 4.43 3ha4B1 HIS 104 HE1 -0.17 -0.03 0.00 -0.04 7.75 7.51 3ha4B1 TYR 105 H -0.05 0.69 -0.02 -0.55 8.29 8.36 3ha4B1 TYR 105 HA -0.32 0.10 0.54 -0.75 4.56 4.12 3ha4B1 TYR 105 HB2 -0.42 0.16 0.12 -0.04 3.06 2.88 3ha4B1 TYR 105 HB3 -0.90 -0.07 0.05 -0.04 2.98 2.02 3ha4B1 TYR 105 HD2 -0.03 0.05 0.07 -0.04 7.15 7.20 3ha4B1 TYR 105 HE2 0.04 0.02 0.05 -0.04 6.85 6.92 3ha4B1 TYR 106 H 0.03 0.31 -0.36 -0.55 8.29 7.72 3ha4B1 TYR 106 HA 0.04 0.12 0.86 -0.75 4.56 4.83 3ha4B1 TYR 106 HB2 0.22 0.02 0.21 -0.04 3.06 3.48 3ha4B1 TYR 106 HB3 0.11 -0.21 0.19 -0.04 2.98 3.03 3ha4B1 TYR 106 HD2 0.15 -0.01 -0.00 -0.04 7.15 7.25 3ha4B1 TYR 106 HE2 0.14 0.06 -0.03 -0.04 6.85 6.97 3ha4B1 PRO 107 HA 0.04 0.10 0.45 -0.51 4.44 4.51 3ha4B1 PRO 107 HB2 0.00 -0.04 -0.05 -0.04 2.28 2.15 3ha4B1 PRO 107 HB3 -0.03 0.04 0.13 -0.04 2.02 2.12 3ha4B1 PRO 107 HG2 -0.06 -0.04 0.03 -0.04 2.03 1.92 3ha4B1 PRO 107 HG3 -0.11 0.28 0.04 -0.04 2.03 2.20 3ha4B1 PRO 107 HD2 -0.00 0.00 0.05 -0.04 3.68 3.68 3ha4B1 PRO 107 HD3 -0.08 0.18 -0.55 -0.04 3.65 3.16 3ha4B1 ALA 108 H 0.07 0.08 -0.32 -0.55 8.40 7.68 3ha4B1 ALA 108 HA 0.08 0.19 0.47 -0.75 4.34 4.33 3ha4B1 ALA 108 HB3 0.03 -0.03 -0.20 -0.04 1.41 1.16 3ha4B1 ASP 109 H 0.13 0.38 -0.29 -0.55 8.40 8.08 3ha4B1 ASP 109 HA -0.03 -0.16 0.53 -0.75 4.63 4.21 3ha4B1 ASP 109 HB2 0.02 0.01 0.16 -0.04 2.71 2.86 3ha4B1 ASP 109 HB3 0.22 0.24 0.10 -0.04 2.70 3.22 3ha4B1 TRP 110 H -0.27 -0.02 0.21 -0.55 7.97 7.34 3ha4B1 TRP 110 HA 0.11 0.32 0.96 -0.75 4.62 5.25 3ha4B1 TRP 110 HB2 0.05 0.00 0.05 -0.04 3.23 3.29 3ha4B1 TRP 110 HB3 0.04 0.13 -0.01 -0.04 3.23 3.35 3ha4B1 TRP 110 HD1 -0.00 0.08 -0.03 -0.04 7.22 7.22 3ha4B1 TRP 110 HE1 -0.02 0.51 -0.30 -0.04 10.20 10.34 3ha4B1 TRP 110 HE3 0.06 -0.03 -0.33 -0.04 7.59 7.24 3ha4B1 TRP 110 HZ2 0.01 0.25 -0.03 -0.04 7.44 7.63 3ha4B1 TRP 110 HZ3 0.06 0.00 -0.06 -0.04 7.13 7.09 3ha4B1 TRP 110 HH2 0.04 -0.00 -0.01 -0.04 7.19 7.17 3ha4B1 LEU 111 H -0.69 -0.06 0.12 -0.55 8.37 7.20 3ha4B1 LEU 111 HA -0.25 0.15 0.56 -0.75 4.35 4.06 3ha4B1 LEU 111 HB2 -0.75 -0.12 0.18 -0.04 1.64 0.91 3ha4B1 LEU 111 HB3 0.06 0.03 -0.03 -0.04 1.64 1.66 3ha4B1 LEU 111 HG -0.69 0.07 0.06 -0.04 1.64 1.04 3ha4B1 LEU 111 HD13 -0.06 0.01 -0.06 -0.04 0.93 0.78 3ha4B1 LEU 111 HD23 -0.12 0.01 0.03 -0.04 0.89 0.77 3ha4B1 ILE 112 H 0.18 0.07 -0.09 -0.55 8.25 7.86 3ha4B1 ILE 112 HA 0.08 0.12 0.65 -0.75 4.18 4.28 3ha4B1 ILE 112 HB 0.26 0.06 0.02 -0.04 1.89 2.19 3ha4B1 ILE 112 HG12 -0.05 0.04 -0.03 -0.04 1.49 1.40 3ha4B1 ILE 112 HG13 0.08 -0.10 -0.05 -0.04 1.21 1.11 3ha4B1 ILE 112 HG23 0.16 0.02 -0.20 -0.04 0.93 0.87 3ha4B1 ILE 112 HD13 -0.07 0.02 -0.10 -0.04 0.88 0.70 3ha4B1 PRO 113 HA -0.02 0.05 0.34 -0.51 4.44 4.31 3ha4B1 PRO 113 HB2 0.20 0.09 -0.03 -0.04 2.28 2.49 3ha4B1 PRO 113 HB3 0.17 0.09 0.04 -0.04 2.02 2.28 3ha4B1 PRO 113 HG2 0.27 0.49 -0.01 -0.04 2.03 2.74 3ha4B1 PRO 113 HG3 0.41 0.07 -0.05 -0.04 2.03 2.42 3ha4B1 PRO 113 HD2 0.17 -0.21 -0.73 -0.04 3.68 2.87 3ha4B1 PRO 113 HD3 0.28 0.08 -0.09 -0.04 3.65 3.87 3ha4B1 LEU 114 H 0.18 0.43 -0.36 -0.55 8.37 8.07 3ha4B1 LEU 114 HA 0.11 0.06 0.44 -0.75 4.35 4.20 3ha4B1 LEU 114 HB2 0.32 0.03 0.09 -0.04 1.64 2.04 3ha4B1 LEU 114 HB3 0.28 0.05 0.18 -0.04 1.64 2.11 3ha4B1 LEU 114 HG 0.16 -0.01 -0.36 -0.04 1.64 1.39 3ha4B1 LEU 114 HD13 0.13 -0.00 -0.01 -0.04 0.93 1.01 3ha4B1 LEU 114 HD23 0.36 -0.01 -0.05 -0.04 0.89 1.15 3ha4B1 GLU 115 H 0.08 0.46 -0.20 -0.55 8.60 8.40 3ha4B1 GLU 115 HA 0.05 0.02 0.40 -0.75 4.29 4.01 3ha4B1 GLU 115 HB2 0.04 0.07 0.14 -0.04 2.09 2.30 3ha4B1 GLU 115 HB3 -0.00 0.08 0.12 -0.04 1.99 2.14 3ha4B1 GLU 115 HG2 -0.12 -0.01 -0.09 -0.04 2.34 2.07 3ha4B1 GLU 115 HG3 -0.06 0.01 -0.23 -0.04 2.34 2.02 3ha4B1 LEU 116 H -0.01 0.51 -0.36 -0.55 8.37 7.96 3ha4B1 LEU 116 HA -0.06 -0.01 0.43 -0.75 4.35 3.94 3ha4B1 LEU 116 HB2 -0.16 0.12 0.13 -0.04 1.64 1.69 3ha4B1 LEU 116 HB3 -0.29 -0.00 -0.09 -0.04 1.64 1.22 3ha4B1 LEU 116 HG -0.29 -0.04 -0.04 -0.04 1.64 1.23 3ha4B1 LEU 116 HD13 -0.04 -0.02 -0.04 -0.04 0.93 0.79 3ha4B1 LEU 116 HD23 -0.10 0.00 -0.15 -0.04 0.89 0.60 3ha4B1 THR 117 H -0.04 0.46 -0.24 -0.55 8.28 7.91 3ha4B1 THR 117 HA -0.08 -0.01 0.33 -0.75 4.39 3.88 3ha4B1 THR 117 HB 0.02 0.19 0.15 -0.04 4.32 4.64 3ha4B1 THR 117 HG23 -0.03 -0.02 -0.08 -0.04 1.22 1.05 3ha4B1 GLN 118 H 0.03 0.37 -0.31 -0.55 8.47 8.01 3ha4B1 GLN 118 HA 0.07 0.04 0.39 -0.75 4.36 4.11 3ha4B1 GLN 118 HB2 0.09 0.14 0.09 -0.04 2.15 2.42 3ha4B1 GLN 118 HB3 0.23 -0.04 0.01 -0.04 2.02 2.18 3ha4B1 GLN 118 HG2 0.08 0.13 0.08 -0.04 2.40 2.65 3ha4B1 GLN 118 HG3 0.11 -0.05 0.01 -0.04 2.39 2.42 3ha4B1 GLN 118 HE21 0.07 -0.03 -0.07 -0.04 6.97 6.90 3ha4B1 GLN 118 HE22 0.08 0.18 -0.01 -0.04 7.69 7.90 3ha4B1 VAL 119 H 0.02 0.37 -0.16 -0.55 8.24 7.92 3ha4B1 VAL 119 HA 0.09 -0.00 0.42 -0.75 4.13 3.89 3ha4B1 VAL 119 HB -0.03 0.15 0.17 -0.04 2.12 2.36 3ha4B1 VAL 119 HG13 0.04 -0.02 -0.12 -0.04 0.97 0.83 3ha4B1 VAL 119 HG23 0.02 0.05 0.03 -0.04 0.95 1.00 3ha4B1 LEU 120 H -0.06 0.58 -0.09 -0.55 8.37 8.26 3ha4B1 LEU 120 HA -0.05 -0.03 0.35 -0.75 4.35 3.87 3ha4B1 LEU 120 HB2 -0.09 0.14 0.00 -0.04 1.64 1.65 3ha4B1 LEU 120 HB3 -0.08 -0.05 -0.00 -0.04 1.64 1.47 3ha4B1 LEU 120 HG -0.13 0.20 -0.04 -0.04 1.64 1.63 3ha4B1 LEU 120 HD13 -0.15 -0.02 -0.09 -0.04 0.93 0.62 3ha4B1 LEU 120 HD23 -0.13 -0.03 -0.07 -0.04 0.89 0.62 3ha4B1 LYS 121 H -0.09 0.38 -0.36 -0.55 8.42 7.80 3ha4B1 LYS 121 HA -0.20 0.03 0.45 -0.75 4.32 3.84 3ha4B1 LYS 121 HB2 -0.20 0.19 0.09 -0.04 1.87 1.91 3ha4B1 LYS 121 HB3 -0.50 -0.01 0.13 -0.04 1.79 1.36 3ha4B1 LYS 121 HG2 -0.80 -0.03 -0.03 -0.04 1.46 0.57 3ha4B1 LYS 121 HG3 -0.27 0.01 0.02 -0.04 1.46 1.18 3ha4B1 LYS 121 HD2 -0.13 -0.02 -0.07 -0.04 1.69 1.43 3ha4B1 LYS 121 HD3 -0.22 -0.04 -0.07 -0.04 1.68 1.31 3ha4B1 LYS 121 HE2 -0.25 -0.00 -0.03 -0.04 2.99 2.67 3ha4B1 LYS 121 HE3 -0.11 0.01 -0.02 -0.04 2.99 2.83 3ha4B1 TYR 122 H 0.02 0.44 -0.08 -0.55 8.29 8.11 3ha4B1 TYR 122 HA 0.02 0.20 0.96 -0.75 4.56 4.98 3ha4B1 TYR 122 HB2 0.02 0.04 0.05 -0.04 3.06 3.13 3ha4B1 TYR 122 HB3 0.01 -0.08 0.09 -0.04 2.98 2.97 3ha4B1 TYR 122 HD2 0.01 0.03 0.01 -0.04 7.15 7.15 3ha4B1 TYR 122 HE2 0.01 -0.04 -0.03 -0.04 6.85 6.74 3ha4B1 SER 123 H 0.09 0.46 0.02 -0.55 8.46 8.48 3ha4B1 SER 123 HA 0.16 -0.01 0.51 -0.75 4.49 4.39 3ha4B1 SER 123 HB2 0.09 0.10 0.08 -0.04 3.95 4.18 3ha4B1 SER 123 HB3 0.30 -0.16 0.09 -0.04 3.93 4.12 3ha4B1 SER 124 H 0.18 0.02 0.19 -0.55 8.46 8.31 3ha4B1 SER 124 HA 0.06 0.24 0.65 -0.75 4.49 4.68 3ha4B1 SER 124 HB2 0.05 -0.01 0.16 -0.04 3.95 4.11 3ha4B1 SER 124 HB3 0.06 0.14 0.16 -0.04 3.93 4.24 3ha4B1 GLY 125 H 0.04 0.21 0.17 -0.55 8.43 8.30 3ha4B1 GLY 125 HA2 0.02 0.15 0.40 -0.51 4.01 4.07 3ha4B1 GLY 125 HA3 0.02 0.09 0.32 -0.51 4.01 3.93 3ha4B1 LYS 126 H 0.05 0.04 -0.20 -0.55 8.42 7.76 3ha4B1 LYS 126 HA 0.02 0.11 0.38 -0.75 4.32 4.08 3ha4B1 LYS 126 HB2 0.07 -0.11 0.10 -0.04 1.87 1.89 3ha4B1 LYS 126 HB3 0.04 0.07 -0.01 -0.04 1.79 1.84 3ha4B1 LYS 126 HG2 0.02 0.05 0.03 -0.04 1.46 1.51 3ha4B1 LYS 126 HG3 0.03 -0.07 0.07 -0.04 1.46 1.45 3ha4B1 LYS 126 HD2 0.02 0.00 0.04 -0.04 1.69 1.71 3ha4B1 LYS 126 HD3 0.02 0.03 0.01 -0.04 1.68 1.70 3ha4B1 LYS 126 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 3ha4B1 LYS 126 HE3 0.01 0.02 0.01 -0.04 2.99 2.98 3ha4B1 TYR 127 H 0.19 0.04 -0.10 -0.55 8.29 7.87 3ha4B1 TYR 127 HA 0.09 0.02 0.36 -0.75 4.56 4.28 3ha4B1 TYR 127 HB2 0.06 -0.06 0.16 -0.04 3.06 3.18 3ha4B1 TYR 127 HB3 0.05 0.14 0.13 -0.04 2.98 3.26 3ha4B1 TYR 127 HD2 0.18 -0.02 0.06 -0.04 7.15 7.32 3ha4B1 TYR 127 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 3ha4B1 LEU 128 H 0.07 0.44 -0.30 -0.55 8.37 8.03 3ha4B1 LEU 128 HA -0.18 -0.03 0.25 -0.75 4.35 3.64 3ha4B1 LEU 128 HB2 -0.01 0.12 0.08 -0.04 1.64 1.79 3ha4B1 LEU 128 HB3 -0.04 0.01 -0.05 -0.04 1.64 1.52 3ha4B1 LEU 128 HG -0.08 -0.06 -0.04 -0.04 1.64 1.42 3ha4B1 LEU 128 HD13 -0.18 -0.03 -0.13 -0.04 0.93 0.56 3ha4B1 LEU 128 HD23 -0.01 0.04 -0.10 -0.04 0.89 0.77 3ha4B1 GLN 129 H -0.01 0.49 0.02 -0.55 8.47 8.42 3ha4B1 GLN 129 HA -0.03 0.06 0.43 -0.75 4.36 4.06 3ha4B1 GLN 129 HB2 -0.02 0.03 0.15 -0.04 2.15 2.27 3ha4B1 GLN 129 HB3 -0.03 -0.06 0.08 -0.04 2.02 1.97 3ha4B1 GLN 129 HG2 -0.01 0.21 0.19 -0.04 2.40 2.75 3ha4B1 GLN 129 HG3 -0.01 -0.11 0.03 -0.04 2.39 2.26 3ha4B1 GLN 129 HE21 -0.01 -0.03 0.03 -0.04 6.97 6.91 3ha4B1 GLN 129 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 3ha4B1 THR 130 H -0.06 0.55 -0.32 -0.55 8.28 7.89 3ha4B1 THR 130 HA -0.19 -0.01 0.42 -0.75 4.39 3.85 3ha4B1 THR 130 HB -0.30 0.09 0.15 -0.04 4.32 4.22 3ha4B1 THR 130 HG23 -0.84 -0.04 -0.13 -0.04 1.22 0.17 3ha4B1 TYR 131 H -0.08 0.57 0.09 -0.55 8.29 8.33 3ha4B1 TYR 131 HA -0.01 0.18 0.84 -0.75 4.56 4.82 3ha4B1 TYR 131 HB2 -0.15 0.06 0.08 -0.04 3.06 3.01 3ha4B1 TYR 131 HB3 -0.03 -0.10 0.21 -0.04 2.98 3.02 3ha4B1 TYR 131 HD2 0.14 0.06 0.03 -0.04 7.15 7.35 3ha4B1 TYR 131 HE2 0.11 -0.01 -0.04 -0.04 6.85 6.87 3ha4B1 VAL 132 H -0.02 0.75 -0.08 -0.55 8.24 8.34 3ha4B1 VAL 132 HA 0.04 0.05 0.68 -0.75 4.13 4.14 3ha4B1 VAL 132 HB 0.01 -0.06 0.02 -0.04 2.12 2.05 3ha4B1 VAL 132 HG13 -0.07 0.02 -0.07 -0.04 0.97 0.81 3ha4B1 VAL 132 HG23 0.01 -0.06 -0.36 -0.04 0.95 0.51 3ha4B1 ALA 133 H 0.03 0.06 0.04 -0.55 8.40 7.99 3ha4B1 ALA 133 HA 0.00 0.20 0.28 -0.75 4.34 4.06 3ha4B1 ALA 133 HB3 0.02 -0.02 0.10 -0.04 1.41 1.47 3ha4B1 ASP 134 H 0.03 0.07 -0.11 -0.55 8.40 7.85 3ha4B1 ASP 134 HA 0.01 0.31 0.96 -0.75 4.63 5.15 3ha4B1 ASP 134 HB2 0.02 0.07 -0.04 -0.04 2.71 2.71 3ha4B1 ASP 134 HB3 0.03 -0.08 0.16 -0.04 2.70 2.77 3ha4B1 PRO 135 HA -0.03 0.05 0.48 -0.51 4.44 4.43 3ha4B1 PRO 135 HB2 -0.02 0.27 0.13 -0.04 2.28 2.61 3ha4B1 PRO 135 HB3 -0.03 0.02 0.03 -0.04 2.02 2.00 3ha4B1 PRO 135 HG2 -0.02 0.09 -0.00 -0.04 2.03 2.05 3ha4B1 PRO 135 HG3 -0.03 0.09 -0.24 -0.04 2.03 1.81 3ha4B1 PRO 135 HD2 -0.01 0.24 0.08 -0.04 3.68 3.95 3ha4B1 PRO 135 HD3 -0.01 0.38 -0.72 -0.04 3.65 3.26 3ha4B1 ASP 136 H -0.00 0.22 -0.11 -0.55 8.40 7.95 3ha4B1 ASP 136 HA -0.01 0.10 0.37 -0.75 4.63 4.33 3ha4B1 ASP 136 HB2 -0.00 0.04 -0.13 -0.04 2.71 2.58 3ha4B1 ASP 136 HB3 0.00 0.03 -0.07 -0.04 2.70 2.62 3ha4B1 GLU 137 H 0.02 0.08 -0.36 -0.55 8.60 7.78 3ha4B1 GLU 137 HA 0.04 0.12 0.50 -0.75 4.29 4.20 3ha4B1 GLU 137 HB2 0.03 -0.01 0.04 -0.04 2.09 2.11 3ha4B1 GLU 137 HB3 0.05 0.08 0.03 -0.04 1.99 2.11 3ha4B1 GLU 137 HG2 0.05 0.02 -0.02 -0.04 2.34 2.35 3ha4B1 GLU 137 HG3 0.08 0.01 -0.12 -0.04 2.34 2.27 3ha4B1 MET 138 H 0.03 0.37 -0.19 -0.55 8.47 8.13 3ha4B1 MET 138 HA 0.16 0.02 0.43 -0.75 4.52 4.37 3ha4B1 MET 138 HB2 0.04 0.03 0.11 -0.04 2.15 2.28 3ha4B1 MET 138 HB3 -0.07 0.14 0.13 -0.04 2.03 2.19 3ha4B1 MET 138 HG2 -0.48 -0.02 -0.18 -0.04 2.63 1.91 3ha4B1 MET 138 HG3 -0.17 -0.03 -0.01 -0.04 2.56 2.30 3ha4B1 MET 138 HE3 -0.38 -0.01 -0.09 -0.04 2.10 1.58 3ha4B1 ARG 139 H -0.05 0.50 -0.09 -0.55 8.46 8.27 3ha4B1 ARG 139 HA -0.11 0.00 0.41 -0.75 4.34 3.89 3ha4B1 ARG 139 HB2 -0.06 0.00 0.08 -0.04 1.90 1.88 3ha4B1 ARG 139 HB3 -0.03 0.07 0.13 -0.04 1.80 1.93 3ha4B1 ARG 139 HG2 -0.02 0.00 -0.29 -0.04 1.67 1.32 3ha4B1 ARG 139 HG3 -0.04 -0.05 0.03 -0.04 1.67 1.57 3ha4B1 ARG 139 HD2 -0.03 -0.05 -0.10 -0.04 3.22 3.00 3ha4B1 ARG 139 HD3 -0.02 -0.25 -0.03 -0.04 3.22 2.87 3ha4B1 LYS 140 H 0.02 0.36 -0.41 -0.55 8.42 7.83 3ha4B1 LYS 140 HA 0.03 0.05 0.38 -0.75 4.32 4.02 3ha4B1 LYS 140 HB2 0.05 0.06 0.23 -0.04 1.87 2.16 3ha4B1 LYS 140 HB3 0.05 -0.06 0.01 -0.04 1.79 1.75 3ha4B1 LYS 140 HG2 0.03 -0.03 0.03 -0.04 1.46 1.45 3ha4B1 LYS 140 HG3 0.02 0.05 0.04 -0.04 1.46 1.52 3ha4B1 LYS 140 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 3ha4B1 LYS 140 HD3 0.02 -0.02 -0.08 -0.04 1.68 1.56 3ha4B1 LYS 140 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.95 3ha4B1 LYS 140 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 3ha4B1 GLU 141 H 0.13 0.57 -0.04 -0.55 8.60 8.71 3ha4B1 GLU 141 HA 0.19 0.01 0.51 -0.75 4.29 4.25 3ha4B1 GLU 141 HB2 0.61 0.06 0.13 -0.04 2.09 2.85 3ha4B1 GLU 141 HB3 0.48 -0.04 0.03 -0.04 1.99 2.42 3ha4B1 GLU 141 HG2 0.16 -0.04 0.01 -0.04 2.34 2.43 3ha4B1 GLU 141 HG3 0.19 0.30 0.04 -0.04 2.34 2.83 3ha4B1 VAL 142 H -0.01 0.71 -0.06 -0.55 8.24 8.33 3ha4B1 VAL 142 HA 0.05 -0.01 0.43 -0.75 4.13 3.84 3ha4B1 VAL 142 HB -0.23 0.13 0.10 -0.04 2.12 2.08 3ha4B1 VAL 142 HG13 -0.15 -0.04 -0.12 -0.04 0.97 0.63 3ha4B1 VAL 142 HG23 -1.21 -0.01 -0.04 -0.04 0.95 -0.35 3ha4B1 LEU 143 H 0.02 0.61 -0.18 -0.55 8.37 8.28 3ha4B1 LEU 143 HA 0.05 -0.02 0.41 -0.75 4.35 4.03 3ha4B1 LEU 143 HB2 0.02 0.09 0.09 -0.04 1.64 1.79 3ha4B1 LEU 143 HB3 0.05 0.22 0.18 -0.04 1.64 2.04 3ha4B1 LEU 143 HG 0.05 -0.04 -0.19 -0.04 1.64 1.42 3ha4B1 LEU 143 HD13 0.05 -0.02 0.05 -0.04 0.93 0.96 3ha4B1 LEU 143 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 3ha4B1 MET 144 H 0.12 0.46 -0.23 -0.55 8.47 8.26 3ha4B1 MET 144 HA 0.09 -0.02 0.37 -0.75 4.52 4.21 3ha4B1 MET 144 HB2 0.10 0.13 0.16 -0.04 2.15 2.50 3ha4B1 MET 144 HB3 0.13 0.08 0.15 -0.04 2.03 2.36 3ha4B1 MET 144 HG2 0.08 -0.03 -0.06 -0.04 2.63 2.58 3ha4B1 MET 144 HG3 0.07 -0.03 0.03 -0.04 2.56 2.58 3ha4B1 MET 144 HE3 0.07 -0.00 -0.04 -0.04 2.10 2.09 3ha4B1 GLN 145 H 0.22 0.57 -0.03 -0.55 8.47 8.68 3ha4B1 GLN 145 HA 0.14 0.04 0.57 -0.75 4.36 4.36 3ha4B1 GLN 145 HB2 0.29 -0.02 0.13 -0.04 2.15 2.51 3ha4B1 GLN 145 HB3 0.36 0.02 0.15 -0.04 2.02 2.51 3ha4B1 GLN 145 HG2 0.26 -0.01 -0.14 -0.04 2.40 2.47 3ha4B1 GLN 145 HG3 0.17 0.08 0.09 -0.04 2.39 2.69 3ha4B1 GLN 145 HE21 0.22 0.26 0.05 -0.04 6.97 7.46 3ha4B1 GLN 145 HE22 0.22 0.20 -0.08 -0.04 7.69 8.00 3ha4B1 LEU 146 H 0.15 0.56 -0.14 -0.55 8.37 8.38 3ha4B1 LEU 146 HA 0.15 -0.00 0.45 -0.75 4.35 4.20 3ha4B1 LEU 146 HB2 0.09 0.15 0.12 -0.04 1.64 1.96 3ha4B1 LEU 146 HB3 0.07 -0.08 0.01 -0.04 1.64 1.61 3ha4B1 LEU 146 HG 0.14 0.08 0.02 -0.04 1.64 1.83 3ha4B1 LEU 146 HD13 0.06 -0.00 -0.19 -0.04 0.93 0.76 3ha4B1 LEU 146 HD23 0.20 -0.03 0.03 -0.04 0.89 1.05 3ha4B1 LEU 147 H 0.11 0.60 -0.12 -0.55 8.37 8.41 3ha4B1 LEU 147 HA 0.12 -0.02 0.52 -0.75 4.35 4.21 3ha4B1 LEU 147 HB2 0.12 0.12 0.13 -0.04 1.64 1.97 3ha4B1 LEU 147 HB3 0.23 -0.06 0.01 -0.04 1.64 1.78 3ha4B1 LEU 147 HG 0.10 0.13 0.06 -0.04 1.64 1.89 3ha4B1 LEU 147 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.90 3ha4B1 LEU 147 HD23 0.22 -0.02 -0.02 -0.04 0.89 1.03 3ha4B1 ASN 148 H 0.12 0.67 -0.11 -0.55 8.53 8.65 3ha4B1 ASN 148 HA 0.11 -0.04 0.40 -0.75 4.76 4.48 3ha4B1 ASN 148 HB2 0.10 0.23 0.22 -0.04 2.88 3.40 3ha4B1 ASN 148 HB3 0.08 -0.08 -0.13 -0.04 2.79 2.62 3ha4B1 ASN 148 HD21 0.05 -0.07 -0.06 -0.04 7.03 6.91 3ha4B1 ASN 148 HD22 0.07 0.04 -0.03 -0.04 7.74 7.78 3ha4B1 VAL 149 H 0.10 0.58 -0.24 -0.55 8.24 8.13 3ha4B1 VAL 149 HA 0.07 0.02 0.41 -0.75 4.13 3.88 3ha4B1 VAL 149 HB 0.11 0.07 0.13 -0.04 2.12 2.40 3ha4B1 VAL 149 HG13 0.13 -0.06 -0.13 -0.04 0.97 0.87 3ha4B1 VAL 149 HG23 0.18 0.07 -0.19 -0.04 0.95 0.96 3ha4B1 LYS 150 H -0.02 0.67 0.01 -0.55 8.42 8.53 3ha4B1 LYS 150 HA -0.18 -0.04 0.38 -0.75 4.32 3.73 3ha4B1 LYS 150 HB2 -0.19 -0.05 0.10 -0.04 1.87 1.69 3ha4B1 LYS 150 HB3 -0.26 0.06 0.17 -0.04 1.79 1.72 3ha4B1 LYS 150 HG2 -1.12 0.04 -0.35 -0.04 1.46 -0.01 3ha4B1 LYS 150 HG3 -0.39 -0.07 0.05 -0.04 1.46 1.01 3ha4B1 LYS 150 HD2 -0.23 -0.02 -0.04 -0.04 1.69 1.36 3ha4B1 LYS 150 HD3 -0.44 0.02 -0.04 -0.04 1.68 1.17 3ha4B1 LYS 150 HE2 -0.52 0.00 -0.05 -0.04 2.99 2.38 3ha4B1 LYS 150 HE3 -0.28 -0.03 -0.02 -0.04 2.99 2.61 3ha4B1 TYR 151 H 0.04 0.66 -0.12 -0.55 8.29 8.31 3ha4B1 TYR 151 HA -0.00 0.12 0.81 -0.75 4.56 4.74 3ha4B1 TYR 151 HB2 0.01 0.07 0.08 -0.04 3.06 3.19 3ha4B1 TYR 151 HB3 0.00 -0.05 0.17 -0.04 2.98 3.07 3ha4B1 TYR 151 HD2 0.01 0.08 0.03 -0.04 7.15 7.23 3ha4B1 TYR 151 HE2 0.00 -0.03 -0.02 -0.04 6.85 6.77 3ha4B1 GLY 152 H 0.02 0.36 -0.61 -0.55 8.43 7.66 3ha4B1 GLY 152 HA2 0.03 0.11 0.38 -0.51 4.01 4.03 3ha4B1 GLY 152 HA3 0.03 -0.07 0.21 -0.51 4.01 3.68 3ha4B1 ARG 153 H 0.08 0.60 -0.04 -0.55 8.46 8.54 3ha4B1 ARG 153 HA 0.04 0.08 0.61 -0.75 4.34 4.31 3ha4B1 ARG 153 HB2 0.07 -0.01 0.08 -0.04 1.90 1.99 3ha4B1 ARG 153 HB3 0.04 -0.07 0.11 -0.04 1.80 1.84 3ha4B1 ARG 153 HG2 0.04 -0.04 0.01 -0.04 1.67 1.65 3ha4B1 ARG 153 HG3 0.09 0.14 -0.10 -0.04 1.67 1.76 3ha4B1 ARG 153 HD2 0.07 -0.02 -0.03 -0.04 3.22 3.19 3ha4B1 ARG 153 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 3ha4B1 VAL 154 H 0.05 0.26 -0.18 -0.55 8.24 7.82 3ha4B1 VAL 154 HA 0.02 0.13 0.57 -0.75 4.13 4.10 3ha4B1 VAL 154 HB 0.03 -0.06 -0.08 -0.04 2.12 1.97 3ha4B1 VAL 154 HG13 0.03 0.01 -0.19 -0.04 0.97 0.78 3ha4B1 VAL 154 HG23 0.07 0.03 -0.28 -0.04 0.95 0.73 3ha4B1 SER 155 H 0.01 0.16 0.08 -0.55 8.46 8.17 3ha4B1 SER 155 HA 0.02 0.21 0.90 -0.75 4.49 4.87 3ha4B1 SER 155 HB2 -0.00 -0.01 0.02 -0.04 3.95 3.92 3ha4B1 SER 155 HB3 -0.00 -0.01 -0.09 -0.04 3.93 3.79 3ha4B1 ASP 156 H 0.00 0.11 0.12 -0.55 8.40 8.09 3ha4B1 ASP 156 HA -0.02 -0.00 0.34 -0.75 4.63 4.20 3ha4B1 ASP 156 HB2 -0.03 0.07 -0.46 -0.04 2.71 2.25 3ha4B1 ASP 156 HB3 -0.06 -0.01 0.19 -0.04 2.70 2.79 3ha4B1 PRO 157 HA -0.02 0.05 -0.05 -0.51 4.44 3.91 3ha4B1 PRO 157 HB2 0.24 0.05 -0.12 -0.04 2.28 2.40 3ha4B1 PRO 157 HB3 0.31 0.10 0.05 -0.04 2.02 2.43 3ha4B1 PRO 157 HG2 0.16 0.00 -0.03 -0.04 2.03 2.12 3ha4B1 PRO 157 HG3 0.13 0.19 -0.04 -0.04 2.03 2.27 3ha4B1 PRO 157 HD2 0.04 0.02 -0.02 -0.04 3.68 3.67 3ha4B1 PRO 157 HD3 0.03 -0.00 0.11 -0.04 3.65 3.75 3ha4B1 ASN 158 H -0.32 0.10 0.08 -0.55 8.53 7.85 3ha4B1 ASN 158 HA -0.58 0.18 0.41 -0.75 4.76 4.02 3ha4B1 ASN 158 HB2 -1.66 -0.11 0.12 -0.04 2.88 1.18 3ha4B1 ASN 158 HB3 -2.25 0.02 0.09 -0.04 2.79 0.60 3ha4B1 ASN 158 HD21 0.02 0.11 0.08 -0.04 7.03 7.20 3ha4B1 ASN 158 HD22 -0.62 -0.04 0.08 -0.04 7.74 7.11 3ha4B1 GLY 159 H -0.60 -0.09 -0.14 -0.55 8.43 7.06 3ha4B1 GLY 159 HA2 -0.41 0.11 0.40 -0.51 4.01 3.60 3ha4B1 GLY 159 HA3 -0.87 -0.12 0.33 -0.51 4.01 2.84 3ha4B1 GLY 160 H -0.16 0.36 -0.84 -0.55 8.43 7.25 3ha4B1 GLY 160 HA2 -0.01 0.02 0.28 -0.51 4.01 3.79 3ha4B1 GLY 160 HA3 0.09 0.10 0.45 -0.51 4.01 4.15 3ha4B1 ARG 161 H 0.05 0.06 0.12 -0.55 8.46 8.14 3ha4B1 ARG 161 HA 0.06 0.05 0.15 -0.75 4.34 3.84 3ha4B1 ARG 161 HB2 0.01 0.02 0.11 -0.04 1.90 2.00 3ha4B1 ARG 161 HB3 0.02 -0.04 0.08 -0.04 1.80 1.82 3ha4B1 ARG 161 HG2 -0.01 -0.00 -0.50 -0.04 1.67 1.11 3ha4B1 ARG 161 HG3 -0.00 0.01 0.03 -0.04 1.67 1.67 3ha4B1 ARG 161 HD2 -0.01 0.04 -0.05 -0.04 3.22 3.17 3ha4B1 ARG 161 HD3 -0.00 0.01 -0.00 -0.04 3.22 3.18 3ha4B1 VAL 162 H -0.01 0.18 0.15 -0.55 8.24 8.01 3ha4B1 VAL 162 HA -0.21 0.05 0.81 -0.75 4.13 4.03 3ha4B1 VAL 162 HB -0.09 0.03 0.25 -0.04 2.12 2.27 3ha4B1 VAL 162 HG13 -0.25 0.02 -0.11 -0.04 0.97 0.59 3ha4B1 VAL 162 HG23 -0.13 0.02 -0.01 -0.04 0.95 0.79 3ha4B1 ASN 163 H -0.11 0.13 0.13 -0.55 8.53 8.14 3ha4B1 ASN 163 HA -0.05 0.25 0.74 -0.75 4.76 4.94 3ha4B1 ASN 163 HB2 -0.04 -0.09 0.24 -0.04 2.88 2.94 3ha4B1 ASN 163 HB3 -0.03 0.12 0.05 -0.04 2.79 2.88 3ha4B1 ASN 163 HD21 -0.02 0.05 0.03 -0.04 7.03 7.05 3ha4B1 ASN 163 HD22 -0.02 0.08 0.04 -0.04 7.74 7.80 3ha4B1 LYS 164 H -0.05 0.19 0.17 -0.55 8.42 8.18 3ha4B1 LYS 164 HA -0.08 0.17 0.50 -0.75 4.32 4.17 3ha4B1 LYS 164 HB2 -0.04 0.06 0.16 -0.04 1.87 2.01 3ha4B1 LYS 164 HB3 -0.04 -0.05 0.15 -0.04 1.79 1.80 3ha4B1 LYS 164 HG2 -0.05 -0.02 -0.13 -0.04 1.46 1.22 3ha4B1 LYS 164 HG3 -0.04 0.06 0.04 -0.04 1.46 1.48 3ha4B1 LYS 164 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.61 3ha4B1 LYS 164 HD3 -0.03 0.01 -0.05 -0.04 1.68 1.56 3ha4B1 LYS 164 HE2 -0.02 0.01 0.02 -0.04 2.99 2.95 3ha4B1 LYS 164 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 3ha4B1 ASP 165 H -0.07 0.08 -0.07 -0.55 8.40 7.80 3ha4B1 ASP 165 HA -0.07 0.13 0.44 -0.75 4.63 4.37 3ha4B1 ASP 165 HB2 -0.05 -0.04 0.08 -0.04 2.71 2.65 3ha4B1 ASP 165 HB3 -0.06 0.07 -0.07 -0.04 2.70 2.60 3ha4B1 VAL 166 H -0.17 0.02 -0.25 -0.55 8.24 7.28 3ha4B1 VAL 166 HA -0.45 0.08 0.55 -0.75 4.13 3.56 3ha4B1 VAL 166 HB -0.33 -0.11 0.23 -0.04 2.12 1.87 3ha4B1 VAL 166 HG13 -1.32 0.05 -0.12 -0.04 0.97 -0.46 3ha4B1 VAL 166 HG23 -0.25 0.06 0.06 -0.04 0.95 0.77 3ha4B1 GLU 167 H -0.21 0.54 -0.16 -0.55 8.60 8.23 3ha4B1 GLU 167 HA -0.23 0.05 0.41 -0.75 4.29 3.77 3ha4B1 GLU 167 HB2 -0.16 0.09 0.09 -0.04 2.09 2.08 3ha4B1 GLU 167 HB3 -0.13 0.06 0.11 -0.04 1.99 2.00 3ha4B1 GLU 167 HG2 -0.17 -0.08 0.00 -0.04 2.34 2.06 3ha4B1 GLU 167 HG3 -0.20 0.09 0.10 -0.04 2.34 2.28 3ha4B1 GLU 168 H -0.13 0.37 -0.32 -0.55 8.60 7.97 3ha4B1 GLU 168 HA -0.08 0.05 0.47 -0.75 4.29 3.97 3ha4B1 GLU 168 HB2 -0.07 0.11 0.17 -0.04 2.09 2.26 3ha4B1 GLU 168 HB3 -0.05 -0.03 0.02 -0.04 1.99 1.89 3ha4B1 GLU 168 HG2 -0.05 -0.02 0.03 -0.04 2.34 2.25 3ha4B1 GLU 168 HG3 -0.07 0.29 0.08 -0.04 2.34 2.60 3ha4B1 ILE 169 H -0.15 0.42 -0.11 -0.55 8.25 7.86 3ha4B1 ILE 169 HA -0.04 0.03 0.46 -0.75 4.18 3.88 3ha4B1 ILE 169 HB -0.09 0.08 0.15 -0.04 1.89 2.00 3ha4B1 ILE 169 HG12 0.03 -0.03 0.08 -0.04 1.49 1.53 3ha4B1 ILE 169 HG13 0.01 -0.01 0.04 -0.04 1.21 1.21 3ha4B1 ILE 169 HG23 -0.17 0.02 -0.04 -0.04 0.93 0.70 3ha4B1 ILE 169 HD13 0.09 -0.00 -0.02 -0.04 0.88 0.91 3ha4B1 ILE 170 H -0.20 0.66 -0.09 -0.55 8.25 8.07 3ha4B1 ILE 170 HA -0.01 0.01 0.60 -0.75 4.18 4.03 3ha4B1 ILE 170 HB -0.17 0.12 0.16 -0.04 1.89 1.96 3ha4B1 ILE 170 HG12 0.03 -0.04 0.04 -0.04 1.49 1.49 3ha4B1 ILE 170 HG13 -0.32 -0.01 0.03 -0.04 1.21 0.86 3ha4B1 ILE 170 HG23 -0.04 -0.00 -0.10 -0.04 0.93 0.75 3ha4B1 ILE 170 HD13 -0.35 -0.02 -0.12 -0.04 0.88 0.35 3ha4B1 SER 171 H -0.09 0.54 -0.17 -0.55 8.46 8.20 3ha4B1 SER 171 HA -0.03 0.00 0.37 -0.75 4.49 4.08 3ha4B1 SER 171 HB2 -0.05 0.14 0.20 -0.04 3.95 4.20 3ha4B1 SER 171 HB3 -0.03 -0.07 0.04 -0.04 3.93 3.84 3ha4B1 MET 172 H -0.02 0.43 -0.24 -0.55 8.47 8.09 3ha4B1 MET 172 HA -0.00 0.02 0.44 -0.75 4.52 4.23 3ha4B1 MET 172 HB2 -0.00 0.00 0.10 -0.04 2.15 2.20 3ha4B1 MET 172 HB3 0.00 0.09 0.14 -0.04 2.03 2.23 3ha4B1 MET 172 HG2 0.02 0.01 -0.23 -0.04 2.63 2.38 3ha4B1 MET 172 HG3 0.01 -0.03 0.03 -0.04 2.56 2.53 3ha4B1 MET 172 HE3 0.01 -0.00 -0.01 -0.04 2.10 2.05 3ha4B1 ALA 173 H 0.01 0.46 -0.14 -0.55 8.40 8.18 3ha4B1 ALA 173 HA 0.02 0.01 0.41 -0.75 4.34 4.03 3ha4B1 ALA 173 HB3 0.05 0.02 0.12 -0.04 1.41 1.55 3ha4B1 VAL 174 H 0.01 0.68 -0.18 -0.55 8.24 8.20 3ha4B1 VAL 174 HA 0.02 -0.00 0.40 -0.75 4.13 3.79 3ha4B1 VAL 174 HB 0.01 0.14 0.19 -0.04 2.12 2.42 3ha4B1 VAL 174 HG13 0.04 -0.02 -0.12 -0.04 0.97 0.84 3ha4B1 VAL 174 HG23 0.03 0.03 -0.04 -0.04 0.95 0.94 3ha4B1 ASP 175 H 0.01 0.65 -0.02 -0.55 8.40 8.49 3ha4B1 ASP 175 HA 0.01 -0.02 0.39 -0.75 4.63 4.25 3ha4B1 ASP 175 HB2 0.00 0.12 0.16 -0.04 2.71 2.95 3ha4B1 ASP 175 HB3 0.00 -0.05 -0.00 -0.04 2.70 2.61 3ha4B1 ASP 176 H -0.00 0.60 -0.19 -0.55 8.40 8.25 3ha4B1 ASP 176 HA -0.02 -0.01 0.33 -0.75 4.63 4.17 3ha4B1 ASP 176 HB2 -0.02 0.11 0.15 -0.04 2.71 2.91 3ha4B1 ASP 176 HB3 -0.05 -0.03 -0.01 -0.04 2.70 2.57 3ha4B1 LEU 177 H -0.01 0.57 -0.20 -0.55 8.37 8.18 3ha4B1 LEU 177 HA -0.04 0.02 0.48 -0.75 4.35 4.06 3ha4B1 LEU 177 HB2 -0.00 0.14 0.15 -0.04 1.64 1.88 3ha4B1 LEU 177 HB3 -0.02 -0.05 0.00 -0.04 1.64 1.53 3ha4B1 LEU 177 HG -0.02 0.10 -0.00 -0.04 1.64 1.67 3ha4B1 LEU 177 HD13 -0.01 -0.03 -0.15 -0.04 0.93 0.70 3ha4B1 LEU 177 HD23 -0.07 -0.02 -0.00 -0.04 0.89 0.76 3ha4B1 GLU 178 H -0.00 0.44 -0.16 -0.55 8.60 8.34 3ha4B1 GLU 178 HA 0.00 0.03 0.51 -0.75 4.29 4.08 3ha4B1 GLU 178 HB2 0.01 0.07 0.08 -0.04 2.09 2.21 3ha4B1 GLU 178 HB3 0.01 0.04 0.13 -0.04 1.99 2.13 3ha4B1 GLU 178 HG2 0.02 -0.06 -0.02 -0.04 2.34 2.24 3ha4B1 GLU 178 HG3 0.01 -0.01 0.04 -0.04 2.34 2.33 3ha4B1 ASN 179 H -0.01 0.52 -0.16 -0.55 8.53 8.33 3ha4B1 ASN 179 HA -0.01 0.05 0.63 -0.75 4.76 4.67 3ha4B1 ASN 179 HB2 -0.02 0.13 0.09 -0.04 2.88 3.04 3ha4B1 ASN 179 HB3 -0.01 -0.08 0.13 -0.04 2.79 2.79 3ha4B1 ASN 179 HD21 -0.00 -0.10 -0.03 -0.04 7.03 6.86 3ha4B1 ASN 179 HD22 -0.01 0.06 -0.11 -0.04 7.74 7.64 3ha4B1 MET 180 H -0.02 0.25 -0.80 -0.55 8.47 7.36 3ha4B1 MET 180 HA -0.03 0.08 0.68 -0.75 4.52 4.50 3ha4B1 MET 180 HB2 -0.04 0.18 0.18 -0.04 2.15 2.43 3ha4B1 MET 180 HB3 -0.04 -0.08 -0.05 -0.04 2.03 1.83 3ha4B1 MET 180 HG2 -0.05 -0.05 -0.10 -0.04 2.63 2.40 3ha4B1 MET 180 HG3 -0.07 0.04 -0.05 -0.04 2.56 2.45 3ha4B1 MET 180 HE3 -0.09 0.03 -0.18 -0.04 2.10 1.82 3ha4B1 ASP 181 H -0.02 0.26 0.15 -0.55 8.40 8.24 3ha4B1 ASP 181 HA -0.01 0.12 0.84 -0.75 4.63 4.82 3ha4B1 ASP 181 HB2 -0.01 0.09 -0.06 -0.04 2.71 2.68 3ha4B1 ASP 181 HB3 -0.01 0.04 0.17 -0.04 2.70 2.85 3ha4B1 LEU 182 H -0.02 0.14 0.01 -0.55 8.37 7.96 3ha4B1 LEU 182 HA -0.02 0.28 0.72 -0.75 4.35 4.58 3ha4B1 LEU 182 HB2 -0.03 -0.03 -0.11 -0.04 1.64 1.43 3ha4B1 LEU 182 HB3 -0.03 -0.14 -0.06 -0.04 1.64 1.38 3ha4B1 LEU 182 HG -0.04 -0.00 -0.04 -0.04 1.64 1.52 3ha4B1 LEU 182 HD13 -0.04 0.07 -0.21 -0.04 0.93 0.72 3ha4B1 LEU 182 HD23 -0.06 0.02 -0.08 -0.04 0.89 0.73 3ha4B1 ASN 183 H -0.01 0.07 -0.31 -0.55 8.53 7.73 3ha4B1 ASN 183 HA -0.01 0.12 0.78 -0.75 4.76 4.90 3ha4B1 ASN 183 HB2 -0.00 -0.01 0.05 -0.04 2.88 2.88 3ha4B1 ASN 183 HB3 -0.00 0.01 -0.06 -0.04 2.79 2.70 3ha4B1 ASN 183 HD21 0.00 -0.01 -0.01 -0.04 7.03 6.97 3ha4B1 ASN 183 HD22 -0.00 0.05 -0.00 -0.04 7.74 7.74 3ha4B1 PRO 184 HA -0.00 0.20 0.45 -0.51 4.44 4.57 3ha4B1 PRO 184 HB2 -0.00 0.00 0.10 -0.04 2.28 2.34 3ha4B1 PRO 184 HB3 -0.00 0.04 0.07 -0.04 2.02 2.09 3ha4B1 PRO 184 HG2 -0.01 0.05 0.08 -0.04 2.03 2.11 3ha4B1 PRO 184 HG3 -0.01 0.08 -0.01 -0.04 2.03 2.05 3ha4B1 PRO 184 HD2 -0.00 0.07 0.22 -0.04 3.68 3.92 3ha4B1 PRO 184 HD3 -0.01 0.26 0.15 -0.04 3.65 4.01