============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 15 0.840 -11.567 27.673 18.635 -99.200 -91.000 PHE 21 1.000 -18.162 28.372 6.983 -99.200 -91.000 TRP 24 1.040 -14.982 24.376 2.390 -99.200 -91.000 TRP6 24 1.020 -16.383 24.015 4.255 -99.200 -91.000 HIS 34 0.900 -27.618 21.489 3.948 -99.200 -91.000 TYR 72 0.840 -5.929 21.707 12.001 -99.200 -91.000 TYR 73 0.840 0.187 15.942 14.361 -99.200 -91.000 PHE 76 1.000 -5.507 20.121 23.911 -99.200 -91.000 TYR 79 0.840 -7.769 32.545 27.870 -99.200 -91.000 PHE 87 1.000 -1.345 36.889 34.457 -99.200 -91.000 HIS 100 0.900 -9.417 21.510 45.199 -99.200 -91.000 TRP 103 1.040 -13.018 27.097 35.118 -99.200 -91.000 TRP6 103 1.020 -14.798 26.566 36.566 -99.200 -91.000 HIS 109 0.900 -9.950 21.354 27.989 -99.200 -91.000 PHE 111 1.000 -13.294 11.159 22.235 -99.200 -91.000 PHE 118 1.000 -2.817 19.473 33.504 -99.200 -91.000 HIS 125 0.900 -14.068 14.963 39.095 -99.200 -91.000 TYR 131 0.840 -19.728 25.263 33.393 -99.200 -91.000 PHE 139 1.000 -15.080 24.829 30.713 -99.200 -91.000 PHE 151 1.000 -4.869 22.994 30.406 -99.200 -91.000 PHE 171 1.000 -0.003 22.447 28.893 -99.200 -91.000 TYR 188 0.840 -17.455 10.394 0.975 -99.200 -91.000 HIS 210 0.900 -0.275 21.689 6.284 -99.200 -91.000 HIS 217 0.900 3.969 12.660 23.469 -99.200 -91.000 HIS 220 0.900 -2.695 7.258 24.295 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ho7A1 THR 90 HA -0.02 0.19 0.17 -0.75 4.39 3.98 3ho7A1 THR 90 HB -0.02 -0.13 0.24 -0.04 4.32 4.37 3ho7A1 THR 90 HG23 -0.01 -0.01 0.10 -0.04 1.22 1.26 3ho7A1 GLY 91 H -0.02 0.17 0.24 -0.55 8.43 8.27 3ho7A1 GLY 91 HA2 -0.02 -0.03 0.33 -0.51 4.01 3.78 3ho7A1 GLY 91 HA3 -0.02 0.21 0.92 -0.51 4.01 4.60 3ho7A1 ARG 92 H -0.02 0.22 0.22 -0.55 8.46 8.33 3ho7A1 ARG 92 HA -0.01 0.27 1.09 -0.75 4.34 4.93 3ho7A1 ARG 92 HB2 0.01 -0.01 -0.04 -0.04 1.90 1.81 3ho7A1 ARG 92 HB3 -0.02 -0.03 0.07 -0.04 1.80 1.78 3ho7A1 ARG 92 HG2 -0.01 -0.07 -0.30 -0.04 1.67 1.25 3ho7A1 ARG 92 HG3 0.11 0.14 0.04 -0.04 1.67 1.92 3ho7A1 ARG 92 HD2 -0.03 -0.01 -0.05 -0.04 3.22 3.09 3ho7A1 ARG 92 HD3 -0.09 -0.01 -0.05 -0.04 3.22 3.03 3ho7A1 LEU 93 H -0.01 0.80 0.37 -0.55 8.37 8.97 3ho7A1 LEU 93 HA -0.02 0.13 0.93 -0.75 4.35 4.63 3ho7A1 LEU 93 HB2 -0.10 0.06 -0.21 -0.04 1.64 1.35 3ho7A1 LEU 93 HB3 -0.18 -0.02 0.00 -0.04 1.64 1.41 3ho7A1 LEU 93 HG -0.12 -0.06 -0.37 -0.04 1.64 1.05 3ho7A1 LEU 93 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 3ho7A1 LEU 93 HD23 -0.27 0.00 -0.16 -0.04 0.89 0.42 3ho7A1 ASN 94 H -0.02 0.17 0.15 -0.55 8.53 8.29 3ho7A1 ASN 94 HA 0.03 0.31 1.11 -0.75 4.76 5.45 3ho7A1 ASN 94 HB2 -0.02 -0.16 0.29 -0.04 2.88 2.94 3ho7A1 ASN 94 HB3 -0.01 0.11 0.13 -0.04 2.79 2.98 3ho7A1 ASN 94 HD21 -0.08 -0.00 -0.06 -0.04 7.03 6.84 3ho7A1 ASN 94 HD22 -0.04 0.06 -0.03 -0.04 7.74 7.69 3ho7A1 ILE 95 H 0.02 0.64 0.23 -0.55 8.25 8.59 3ho7A1 ILE 95 HA -0.01 0.25 1.18 -0.75 4.18 4.84 3ho7A1 ILE 95 HB -0.04 -0.05 -0.18 -0.04 1.89 1.58 3ho7A1 ILE 95 HG12 0.09 0.13 -0.34 -0.04 1.49 1.33 3ho7A1 ILE 95 HG13 0.02 -0.03 -0.24 -0.04 1.21 0.92 3ho7A1 ILE 95 HG23 0.04 -0.01 -0.10 -0.04 0.93 0.82 3ho7A1 ILE 95 HD13 0.18 -0.02 -0.16 -0.04 0.88 0.85 3ho7A1 ALA 96 H 0.01 0.51 0.40 -0.55 8.40 8.77 3ho7A1 ALA 96 HA 0.04 0.37 1.01 -0.75 4.34 5.01 3ho7A1 ALA 96 HB3 0.00 -0.04 0.05 -0.04 1.41 1.38 3ho7A1 VAL 97 H 0.03 0.54 0.51 -0.55 8.24 8.77 3ho7A1 VAL 97 HA 0.03 0.17 0.92 -0.75 4.13 4.49 3ho7A1 VAL 97 HB 0.04 -0.03 -0.00 -0.04 2.12 2.09 3ho7A1 VAL 97 HG13 0.02 0.02 -0.00 -0.04 0.97 0.97 3ho7A1 VAL 97 HG23 0.13 0.02 -0.31 -0.04 0.95 0.75 3ho7A1 LEU 98 H -0.01 0.35 0.26 -0.55 8.37 8.42 3ho7A1 LEU 98 HA -0.03 0.39 0.69 -0.75 4.35 4.66 3ho7A1 LEU 98 HB2 -0.02 0.05 0.13 -0.04 1.64 1.76 3ho7A1 LEU 98 HB3 -0.02 -0.21 0.08 -0.04 1.64 1.45 3ho7A1 LEU 98 HG -0.09 -0.07 0.16 -0.04 1.64 1.60 3ho7A1 LEU 98 HD13 -0.06 0.16 0.17 -0.04 0.93 1.15 3ho7A1 LEU 98 HD23 -0.12 0.01 0.07 -0.04 0.89 0.80 3ho7A1 PRO 99 HA -0.04 0.16 0.51 -0.51 4.44 4.56 3ho7A1 PRO 99 HB2 -0.02 -0.02 -0.01 -0.04 2.28 2.19 3ho7A1 PRO 99 HB3 -0.03 0.09 0.11 -0.04 2.02 2.15 3ho7A1 PRO 99 HG2 -0.02 0.00 0.02 -0.04 2.03 2.00 3ho7A1 PRO 99 HG3 -0.02 0.10 -0.05 -0.04 2.03 2.03 3ho7A1 PRO 99 HD2 -0.02 -0.00 0.21 -0.04 3.68 3.83 3ho7A1 PRO 99 HD3 -0.02 0.42 0.14 -0.04 3.65 4.15 3ho7A1 THR 100 H 0.01 0.09 -0.23 -0.55 8.28 7.60 3ho7A1 THR 100 HA 0.18 0.18 0.68 -0.75 4.39 4.67 3ho7A1 THR 100 HB 0.08 0.12 0.16 -0.04 4.32 4.64 3ho7A1 THR 100 HG23 0.02 -0.03 0.03 -0.04 1.22 1.20 3ho7A1 ILE 101 H 0.04 0.20 -0.55 -0.55 8.25 7.40 3ho7A1 ILE 101 HA 0.24 0.23 0.85 -0.75 4.18 4.75 3ho7A1 ILE 101 HB 0.03 0.00 0.08 -0.04 1.89 1.96 3ho7A1 ILE 101 HG12 0.03 0.12 -0.15 -0.04 1.49 1.45 3ho7A1 ILE 101 HG13 0.01 -0.18 -0.32 -0.04 1.21 0.68 3ho7A1 ILE 101 HG23 0.09 0.01 -0.16 -0.04 0.93 0.83 3ho7A1 ILE 101 HD13 -0.04 0.02 -0.26 -0.04 0.88 0.55 3ho7A1 ALA 102 H -0.02 0.61 0.14 -0.55 8.40 8.57 3ho7A1 ALA 102 HA -0.07 -0.02 0.23 -0.75 4.34 3.73 3ho7A1 ALA 102 HB3 -0.07 0.03 0.02 -0.04 1.41 1.34 3ho7A1 PRO 103 HA -0.31 0.09 0.32 -0.51 4.44 4.03 3ho7A1 PRO 103 HB2 -1.28 0.06 -0.11 -0.04 2.28 0.91 3ho7A1 PRO 103 HB3 -0.41 0.03 0.04 -0.04 2.02 1.64 3ho7A1 PRO 103 HG2 -0.48 0.03 0.03 -0.04 2.03 1.57 3ho7A1 PRO 103 HG3 -0.27 -0.00 0.05 -0.04 2.03 1.76 3ho7A1 PRO 103 HD2 -0.42 0.02 -0.56 -0.04 3.68 2.68 3ho7A1 PRO 103 HD3 -0.19 0.03 0.03 -0.04 3.65 3.47 3ho7A1 TYR 104 H -0.39 0.28 -0.33 -0.55 8.29 7.30 3ho7A1 TYR 104 HA -0.08 0.19 0.49 -0.75 4.56 4.40 3ho7A1 TYR 104 HB2 -0.03 0.02 -0.04 -0.04 3.06 2.96 3ho7A1 TYR 104 HB3 -0.05 -0.00 -0.22 -0.04 2.98 2.67 3ho7A1 TYR 104 HD2 -0.04 0.08 -0.19 -0.04 7.15 6.96 3ho7A1 TYR 104 HE2 -0.04 -0.01 -0.12 -0.04 6.85 6.64 3ho7A1 LEU 105 H -0.01 0.43 -0.01 -0.55 8.37 8.23 3ho7A1 LEU 105 HA -0.08 0.21 0.58 -0.75 4.35 4.31 3ho7A1 LEU 105 HB2 0.09 -0.03 -0.03 -0.04 1.64 1.63 3ho7A1 LEU 105 HB3 -0.00 -0.06 -0.04 -0.04 1.64 1.50 3ho7A1 LEU 105 HG -0.09 -0.03 -0.34 -0.04 1.64 1.13 3ho7A1 LEU 105 HD13 -0.10 0.03 -0.04 -0.04 0.93 0.78 3ho7A1 LEU 105 HD23 0.14 -0.02 -0.12 -0.04 0.89 0.85 3ho7A1 LEU 106 H -0.22 0.39 0.03 -0.55 8.37 8.03 3ho7A1 LEU 106 HA -0.47 -0.04 0.26 -0.75 4.35 3.35 3ho7A1 LEU 106 HB2 -0.49 0.22 0.10 -0.04 1.64 1.44 3ho7A1 LEU 106 HB3 -1.24 -0.05 -0.01 -0.04 1.64 0.30 3ho7A1 LEU 106 HG -0.15 -0.03 0.10 -0.04 1.64 1.52 3ho7A1 LEU 106 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 3ho7A1 LEU 106 HD23 -0.04 -0.01 -0.09 -0.04 0.89 0.71 3ho7A1 PRO 107 HA -0.30 -0.00 0.42 -0.51 4.44 4.04 3ho7A1 PRO 107 HB2 -0.14 0.11 -0.08 -0.04 2.28 2.13 3ho7A1 PRO 107 HB3 -0.14 -0.02 0.05 -0.04 2.02 1.88 3ho7A1 PRO 107 HG2 -0.17 0.32 0.08 -0.04 2.03 2.22 3ho7A1 PRO 107 HG3 -0.22 -0.08 0.05 -0.04 2.03 1.74 3ho7A1 PRO 107 HD2 -0.22 -0.02 -0.77 -0.04 3.68 2.62 3ho7A1 PRO 107 HD3 -0.33 0.10 0.00 -0.04 3.65 3.38 3ho7A1 ARG 108 H -0.21 0.36 -0.51 -0.55 8.46 7.55 3ho7A1 ARG 108 HA -0.12 0.05 0.52 -0.75 4.34 4.04 3ho7A1 ARG 108 HB2 -0.16 0.12 0.17 -0.04 1.90 1.98 3ho7A1 ARG 108 HB3 -0.12 0.09 0.14 -0.04 1.80 1.87 3ho7A1 ARG 108 HG2 -0.09 -0.06 0.06 -0.04 1.67 1.54 3ho7A1 ARG 108 HG3 -0.11 -0.08 0.01 -0.04 1.67 1.46 3ho7A1 ARG 108 HD2 -0.11 0.05 0.17 -0.04 3.22 3.29 3ho7A1 ARG 108 HD3 -0.13 0.18 0.09 -0.04 3.22 3.31 3ho7A1 VAL 109 H -0.33 0.25 -0.02 -0.55 8.24 7.59 3ho7A1 VAL 109 HA -0.30 0.16 0.45 -0.75 4.13 3.69 3ho7A1 VAL 109 HB -0.85 -0.05 -0.05 -0.04 2.12 1.12 3ho7A1 VAL 109 HG13 -0.23 0.10 -0.09 -0.04 0.97 0.71 3ho7A1 VAL 109 HG23 -0.85 -0.02 -0.08 -0.04 0.95 -0.03 3ho7A1 PHE 110 H -0.21 0.63 -0.01 -0.55 8.34 8.20 3ho7A1 PHE 110 HA -0.30 -0.05 0.28 -0.75 4.62 3.79 3ho7A1 PHE 110 HB2 -0.14 0.18 0.09 -0.04 3.15 3.24 3ho7A1 PHE 110 HB3 -0.05 -0.04 -0.04 -0.04 3.06 2.89 3ho7A1 PHE 110 HD2 -0.38 -0.04 -0.06 -0.04 7.28 6.77 3ho7A1 PHE 110 HE2 0.00 -0.03 -0.05 -0.04 7.38 7.26 3ho7A1 PHE 110 HZ 0.07 -0.05 -0.05 -0.04 7.32 7.26 3ho7A1 PRO 111 HA 0.05 0.01 0.47 -0.51 4.44 4.46 3ho7A1 PRO 111 HB2 -0.01 0.11 -0.03 -0.04 2.28 2.30 3ho7A1 PRO 111 HB3 0.01 -0.02 0.06 -0.04 2.02 2.03 3ho7A1 PRO 111 HG2 -0.03 0.15 0.06 -0.04 2.03 2.17 3ho7A1 PRO 111 HG3 0.02 -0.04 0.05 -0.04 2.03 2.01 3ho7A1 PRO 111 HD2 -0.07 0.22 -0.50 -0.04 3.68 3.29 3ho7A1 PRO 111 HD3 0.05 0.08 0.04 -0.04 3.65 3.77 3ho7A1 ILE 112 H -0.06 0.34 -0.36 -0.55 8.25 7.61 3ho7A1 ILE 112 HA 0.04 0.03 0.43 -0.75 4.18 3.93 3ho7A1 ILE 112 HB -0.09 0.12 0.12 -0.04 1.89 1.99 3ho7A1 ILE 112 HG12 -0.01 -0.08 -0.00 -0.04 1.49 1.36 3ho7A1 ILE 112 HG13 -0.05 0.08 0.07 -0.04 1.21 1.26 3ho7A1 ILE 112 HG23 0.07 -0.01 -0.08 -0.04 0.93 0.87 3ho7A1 ILE 112 HD13 -0.04 0.00 -0.06 -0.04 0.88 0.74 3ho7A1 TRP 113 H 0.07 0.57 -0.09 -0.55 7.97 7.97 3ho7A1 TRP 113 HA 0.01 0.01 0.42 -0.75 4.62 4.31 3ho7A1 TRP 113 HB2 -0.01 0.14 0.11 -0.04 3.23 3.42 3ho7A1 TRP 113 HB3 -0.04 -0.02 -0.09 -0.04 3.23 3.04 3ho7A1 TRP 113 HD1 0.03 -0.00 -0.15 -0.04 7.22 7.05 3ho7A1 TRP 113 HE1 0.05 -0.01 -0.13 -0.04 10.20 10.06 3ho7A1 TRP 113 HE3 -0.21 0.04 -0.07 -0.04 7.59 7.30 3ho7A1 TRP 113 HZ2 0.07 -0.02 -0.13 -0.04 7.44 7.32 3ho7A1 TRP 113 HZ3 0.05 -0.02 -0.10 -0.04 7.13 7.02 3ho7A1 TRP 113 HH2 0.15 -0.04 -0.13 -0.04 7.19 7.12 3ho7A1 LYS 114 H 0.18 0.51 -0.13 -0.55 8.42 8.42 3ho7A1 LYS 114 HA 0.07 -0.01 0.26 -0.75 4.32 3.89 3ho7A1 LYS 114 HB2 0.06 0.03 0.12 -0.04 1.87 2.04 3ho7A1 LYS 114 HB3 0.06 0.16 0.12 -0.04 1.79 2.09 3ho7A1 LYS 114 HG2 0.03 -0.03 -0.01 -0.04 1.46 1.41 3ho7A1 LYS 114 HG3 0.03 0.01 -0.18 -0.04 1.46 1.28 3ho7A1 LYS 114 HD2 0.01 -0.03 0.00 -0.04 1.69 1.63 3ho7A1 LYS 114 HD3 0.02 -0.01 0.06 -0.04 1.68 1.71 3ho7A1 LYS 114 HE2 0.02 0.04 0.02 -0.04 2.99 3.03 3ho7A1 LYS 114 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 3ho7A1 LYS 115 H 0.08 0.31 -0.34 -0.55 8.42 7.92 3ho7A1 LYS 115 HA 0.04 0.06 0.51 -0.75 4.32 4.17 3ho7A1 LYS 115 HB2 0.03 -0.04 0.03 -0.04 1.87 1.86 3ho7A1 LYS 115 HB3 0.03 -0.04 0.06 -0.04 1.79 1.80 3ho7A1 LYS 115 HG2 0.05 0.20 0.17 -0.04 1.46 1.85 3ho7A1 LYS 115 HG3 0.06 0.07 0.06 -0.04 1.46 1.61 3ho7A1 LYS 115 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.67 3ho7A1 LYS 115 HD3 0.03 -0.05 -0.02 -0.04 1.68 1.60 3ho7A1 LYS 115 HE2 0.02 0.10 -0.02 -0.04 2.99 3.05 3ho7A1 LYS 115 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.90 3ho7A1 GLU 116 H 0.11 0.45 -0.03 -0.55 8.60 8.58 3ho7A1 GLU 116 HA 0.05 0.12 0.75 -0.75 4.29 4.46 3ho7A1 GLU 116 HB2 0.12 0.25 0.15 -0.04 2.09 2.57 3ho7A1 GLU 116 HB3 0.10 -0.05 -0.07 -0.04 1.99 1.93 3ho7A1 GLU 116 HG2 0.07 -0.04 -0.01 -0.04 2.34 2.32 3ho7A1 GLU 116 HG3 0.05 -0.02 0.06 -0.04 2.34 2.39 3ho7A1 LEU 117 H 0.09 0.96 0.05 -0.55 8.37 8.92 3ho7A1 LEU 117 HA -0.01 0.17 0.73 -0.75 4.35 4.48 3ho7A1 LEU 117 HB2 -0.02 0.06 0.02 -0.04 1.64 1.66 3ho7A1 LEU 117 HB3 -0.14 -0.08 0.07 -0.04 1.64 1.44 3ho7A1 LEU 117 HG 0.09 -0.01 -0.13 -0.04 1.64 1.54 3ho7A1 LEU 117 HD13 -0.70 -0.04 -0.10 -0.04 0.93 0.05 3ho7A1 LEU 117 HD23 -0.05 0.03 -0.17 -0.04 0.89 0.65 3ho7A1 ALA 118 H 0.02 0.17 -0.49 -0.55 8.40 7.55 3ho7A1 ALA 118 HA -0.00 -0.04 0.44 -0.75 4.34 3.98 3ho7A1 ALA 118 HB3 0.01 0.05 0.07 -0.04 1.41 1.50 3ho7A1 GLY 119 H -0.02 0.09 0.18 -0.55 8.43 8.14 3ho7A1 GLY 119 HA2 -0.02 -0.07 0.33 -0.51 4.01 3.75 3ho7A1 GLY 119 HA3 -0.02 0.20 0.74 -0.51 4.01 4.42 3ho7A1 LEU 120 H -0.04 0.37 0.02 -0.55 8.37 8.16 3ho7A1 LEU 120 HA -0.04 0.23 0.89 -0.75 4.35 4.68 3ho7A1 LEU 120 HB2 -0.06 0.03 -0.26 -0.04 1.64 1.31 3ho7A1 LEU 120 HB3 -0.10 0.18 0.01 -0.04 1.64 1.69 3ho7A1 LEU 120 HG -0.11 -0.02 -0.49 -0.04 1.64 0.98 3ho7A1 LEU 120 HD13 -0.06 0.03 -0.51 -0.04 0.93 0.35 3ho7A1 LEU 120 HD23 -0.19 -0.03 -0.21 -0.04 0.89 0.42 3ho7A1 GLU 121 H -0.03 0.62 0.33 -0.55 8.60 8.97 3ho7A1 GLU 121 HA -0.07 0.11 0.85 -0.75 4.29 4.43 3ho7A1 GLU 121 HB2 -0.01 0.02 0.08 -0.04 2.09 2.14 3ho7A1 GLU 121 HB3 0.03 -0.04 0.20 -0.04 1.99 2.15 3ho7A1 GLU 121 HG2 -0.06 0.03 -0.27 -0.04 2.34 1.99 3ho7A1 GLU 121 HG3 -0.04 0.01 -0.00 -0.04 2.34 2.26 3ho7A1 ILE 122 H -0.14 0.22 0.16 -0.55 8.25 7.94 3ho7A1 ILE 122 HA -0.11 0.20 0.99 -0.75 4.18 4.50 3ho7A1 ILE 122 HB -0.23 -0.01 0.11 -0.04 1.89 1.71 3ho7A1 ILE 122 HG12 -0.41 -0.02 -0.20 -0.04 1.49 0.82 3ho7A1 ILE 122 HG13 -0.26 0.09 -0.32 -0.04 1.21 0.68 3ho7A1 ILE 122 HG23 -0.46 -0.03 -0.24 -0.04 0.93 0.16 3ho7A1 ILE 122 HD13 -0.91 0.00 -0.11 -0.04 0.88 -0.18 3ho7A1 HIS 123 H 0.08 0.90 0.40 -0.55 8.41 9.25 3ho7A1 HIS 123 HA -0.02 0.14 0.96 -0.75 4.63 4.95 3ho7A1 HIS 123 HB2 -0.03 -0.01 0.19 -0.04 3.26 3.37 3ho7A1 HIS 123 HB3 -0.01 0.01 0.02 -0.04 3.20 3.18 3ho7A1 HIS 123 HD2 -0.04 0.02 -0.25 -0.04 6.97 6.65 3ho7A1 HIS 123 HE1 -0.01 -0.01 -0.04 -0.04 7.75 7.65 3ho7A1 VAL 124 H 0.03 0.20 0.13 -0.55 8.24 8.05 3ho7A1 VAL 124 HA 0.12 0.30 0.82 -0.75 4.13 4.62 3ho7A1 VAL 124 HB 0.19 -0.01 0.08 -0.04 2.12 2.34 3ho7A1 VAL 124 HG13 0.22 -0.02 -0.17 -0.04 0.97 0.96 3ho7A1 VAL 124 HG23 0.38 0.01 -0.09 -0.04 0.95 1.21 3ho7A1 SER 125 H 0.09 0.56 0.37 -0.55 8.46 8.94 3ho7A1 SER 125 HA 0.06 0.11 0.69 -0.75 4.49 4.59 3ho7A1 SER 125 HB2 0.03 0.01 -0.05 -0.04 3.95 3.90 3ho7A1 SER 125 HB3 0.05 0.10 -0.17 -0.04 3.93 3.87 3ho7A1 GLU 126 H 0.03 0.18 0.14 -0.55 8.60 8.41 3ho7A1 GLU 126 HA 0.02 0.34 1.02 -0.75 4.29 4.91 3ho7A1 GLU 126 HB2 0.00 -0.01 0.16 -0.04 2.09 2.21 3ho7A1 GLU 126 HB3 -0.01 -0.05 0.01 -0.04 1.99 1.90 3ho7A1 GLU 126 HG2 0.00 0.05 -0.07 -0.04 2.34 2.28 3ho7A1 GLU 126 HG3 0.01 0.00 -0.04 -0.04 2.34 2.27 3ho7A1 MET 127 H -0.00 0.49 0.25 -0.55 8.47 8.66 3ho7A1 MET 127 HA 0.00 0.14 0.68 -0.75 4.52 4.58 3ho7A1 MET 127 HB2 -0.01 -0.03 -0.14 -0.04 2.15 1.94 3ho7A1 MET 127 HB3 -0.00 -0.07 0.03 -0.04 2.03 1.95 3ho7A1 MET 127 HG2 0.01 0.10 -0.16 -0.04 2.63 2.54 3ho7A1 MET 127 HG3 0.01 -0.03 -0.63 -0.04 2.56 1.86 3ho7A1 MET 127 HE3 0.01 0.02 -0.18 -0.04 2.10 1.90 3ho7A1 GLN 128 H -0.00 0.14 0.14 -0.55 8.47 8.20 3ho7A1 GLN 128 HA -0.04 0.14 0.80 -0.75 4.36 4.50 3ho7A1 GLN 128 HB2 0.01 0.04 0.14 -0.04 2.15 2.29 3ho7A1 GLN 128 HB3 -0.00 -0.07 0.14 -0.04 2.02 2.04 3ho7A1 GLN 128 HG2 -0.01 -0.04 0.10 -0.04 2.40 2.41 3ho7A1 GLN 128 HG3 -0.01 0.03 0.03 -0.04 2.39 2.41 3ho7A1 GLN 128 HE21 0.04 0.07 0.04 -0.04 6.97 7.08 3ho7A1 GLN 128 HE22 0.02 -0.06 0.04 -0.04 7.69 7.65 3ho7A1 THR 129 H -0.13 0.16 0.13 -0.55 8.28 7.90 3ho7A1 THR 129 HA -0.10 0.10 0.15 -0.75 4.39 3.78 3ho7A1 THR 129 HB -0.27 -0.01 0.08 -0.04 4.32 4.08 3ho7A1 THR 129 HG23 -0.14 0.04 -0.15 -0.04 1.22 0.93 3ho7A1 SER 130 H 0.04 0.06 -0.17 -0.55 8.46 7.84 3ho7A1 SER 130 HA 0.07 0.12 0.32 -0.75 4.49 4.25 3ho7A1 SER 130 HB2 0.05 -0.05 0.04 -0.04 3.95 3.94 3ho7A1 SER 130 HB3 0.05 0.10 0.00 -0.04 3.93 4.05 3ho7A1 ARG 131 H 0.01 0.07 -0.20 -0.55 8.46 7.79 3ho7A1 ARG 131 HA 0.01 0.08 0.38 -0.75 4.34 4.06 3ho7A1 ARG 131 HB2 0.00 0.03 0.08 -0.04 1.90 1.97 3ho7A1 ARG 131 HB3 0.01 0.06 -0.03 -0.04 1.80 1.80 3ho7A1 ARG 131 HG2 0.01 0.06 0.02 -0.04 1.67 1.72 3ho7A1 ARG 131 HG3 0.02 -0.10 0.05 -0.04 1.67 1.59 3ho7A1 ARG 131 HD2 0.01 0.08 0.02 -0.04 3.22 3.28 3ho7A1 ARG 131 HD3 0.01 0.05 0.03 -0.04 3.22 3.26 3ho7A1 CYS 132 H -0.01 0.38 -0.32 -0.55 8.50 8.01 3ho7A1 CYS 132 HA -0.01 0.03 0.28 -0.75 4.58 4.12 3ho7A1 CYS 132 HB2 -0.03 0.12 0.03 -0.04 2.97 3.05 3ho7A1 CYS 132 HB3 -0.03 -0.01 -0.18 -0.04 2.97 2.72 3ho7A1 LEU 133 H 0.00 0.62 -0.09 -0.55 8.37 8.35 3ho7A1 LEU 133 HA -0.00 0.02 0.30 -0.75 4.35 3.91 3ho7A1 LEU 133 HB2 0.03 0.06 0.04 -0.04 1.64 1.73 3ho7A1 LEU 133 HB3 0.02 0.00 -0.02 -0.04 1.64 1.60 3ho7A1 LEU 133 HG 0.02 0.25 -0.04 -0.04 1.64 1.83 3ho7A1 LEU 133 HD13 0.08 0.00 -0.08 -0.04 0.93 0.89 3ho7A1 LEU 133 HD23 -0.00 -0.04 -0.13 -0.04 0.89 0.67 3ho7A1 ALA 134 H 0.01 0.52 -0.17 -0.55 8.40 8.21 3ho7A1 ALA 134 HA 0.01 0.05 0.44 -0.75 4.34 4.08 3ho7A1 ALA 134 HB3 0.01 0.00 0.07 -0.04 1.41 1.45 3ho7A1 SER 135 H 0.00 0.71 -0.12 -0.55 8.46 8.50 3ho7A1 SER 135 HA -0.00 -0.01 0.42 -0.75 4.49 4.15 3ho7A1 SER 135 HB2 -0.01 0.09 0.06 -0.04 3.95 4.05 3ho7A1 SER 135 HB3 -0.01 -0.09 -0.11 -0.04 3.93 3.68 3ho7A1 LEU 136 H -0.01 0.62 -0.17 -0.55 8.37 8.26 3ho7A1 LEU 136 HA -0.03 0.20 0.38 -0.75 4.35 4.14 3ho7A1 LEU 136 HB2 -0.02 0.08 0.05 -0.04 1.64 1.71 3ho7A1 LEU 136 HB3 -0.03 -0.04 -0.22 -0.04 1.64 1.32 3ho7A1 LEU 136 HG -0.04 0.02 -0.20 -0.04 1.64 1.38 3ho7A1 LEU 136 HD13 -0.04 -0.03 -0.32 -0.04 0.93 0.50 3ho7A1 LEU 136 HD23 -0.09 -0.02 -0.30 -0.04 0.89 0.43 3ho7A1 LEU 137 H -0.00 0.45 -0.20 -0.55 8.37 8.07 3ho7A1 LEU 137 HA 0.01 0.01 0.36 -0.75 4.35 3.98 3ho7A1 LEU 137 HB2 0.01 0.08 0.17 -0.04 1.64 1.86 3ho7A1 LEU 137 HB3 0.01 -0.03 -0.02 -0.04 1.64 1.55 3ho7A1 LEU 137 HG 0.01 0.04 -0.00 -0.04 1.64 1.64 3ho7A1 LEU 137 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.86 3ho7A1 LEU 137 HD23 0.01 0.02 0.01 -0.04 0.89 0.88 3ho7A1 SER 138 H 0.00 0.44 -0.12 -0.55 8.46 8.24 3ho7A1 SER 138 HA 0.00 0.04 0.39 -0.75 4.49 4.16 3ho7A1 SER 138 HB2 0.00 -0.04 0.07 -0.04 3.95 3.94 3ho7A1 SER 138 HB3 0.00 0.01 0.11 -0.04 3.93 4.01 3ho7A1 GLY 139 H 0.00 0.42 -0.30 -0.55 8.43 8.00 3ho7A1 GLY 139 HA2 0.01 0.11 0.28 -0.51 4.01 3.90 3ho7A1 GLY 139 HA3 0.01 0.10 0.72 -0.51 4.01 4.34 3ho7A1 GLU 140 H -0.00 0.24 0.07 -0.55 8.60 8.36 3ho7A1 GLU 140 HA -0.01 0.08 0.45 -0.75 4.29 4.05 3ho7A1 GLU 140 HB2 -0.01 -0.00 0.05 -0.04 2.09 2.09 3ho7A1 GLU 140 HB3 -0.01 -0.08 0.08 -0.04 1.99 1.94 3ho7A1 GLU 140 HG2 -0.01 -0.00 -0.17 -0.04 2.34 2.12 3ho7A1 GLU 140 HG3 -0.01 0.02 0.03 -0.04 2.34 2.33 3ho7A1 ILE 141 H -0.01 0.31 -0.27 -0.55 8.25 7.72 3ho7A1 ILE 141 HA -0.02 0.15 0.73 -0.75 4.18 4.29 3ho7A1 ILE 141 HB -0.02 0.11 -0.04 -0.04 1.89 1.90 3ho7A1 ILE 141 HG12 -0.02 -0.14 -0.42 -0.04 1.49 0.87 3ho7A1 ILE 141 HG13 -0.04 0.04 -0.47 -0.04 1.21 0.70 3ho7A1 ILE 141 HG23 -0.01 -0.03 -0.37 -0.04 0.93 0.49 3ho7A1 ILE 141 HD13 -0.02 0.02 -0.10 -0.04 0.88 0.74 3ho7A1 ASP 142 H -0.04 0.61 0.38 -0.55 8.40 8.79 3ho7A1 ASP 142 HA -0.07 0.12 0.63 -0.75 4.63 4.56 3ho7A1 ASP 142 HB2 -0.05 -0.02 0.16 -0.04 2.71 2.76 3ho7A1 ASP 142 HB3 -0.05 -0.03 0.06 -0.04 2.70 2.64 3ho7A1 MET 143 H -0.10 0.36 0.28 -0.55 8.47 8.47 3ho7A1 MET 143 HA -0.19 0.32 0.95 -0.75 4.52 4.84 3ho7A1 MET 143 HB2 -0.08 -0.08 -0.06 -0.04 2.15 1.89 3ho7A1 MET 143 HB3 -0.10 0.03 0.05 -0.04 2.03 1.97 3ho7A1 MET 143 HG2 -0.41 0.12 -0.16 -0.04 2.63 2.13 3ho7A1 MET 143 HG3 -0.25 -0.16 -0.49 -0.04 2.56 1.63 3ho7A1 MET 143 HE3 0.08 -0.00 -0.18 -0.04 2.10 1.96 3ho7A1 ALA 144 H -0.06 0.71 0.35 -0.55 8.40 8.85 3ho7A1 ALA 144 HA -0.01 0.16 0.88 -0.75 4.34 4.62 3ho7A1 ALA 144 HB3 -0.03 -0.00 -0.12 -0.04 1.41 1.21 3ho7A1 ILE 145 H 0.02 0.69 0.27 -0.55 8.25 8.67 3ho7A1 ILE 145 HA -0.01 0.31 1.05 -0.75 4.18 4.77 3ho7A1 ILE 145 HB 0.04 -0.14 0.31 -0.04 1.89 2.05 3ho7A1 ILE 145 HG12 0.08 0.04 -0.06 -0.04 1.49 1.51 3ho7A1 ILE 145 HG13 0.08 0.02 -0.00 -0.04 1.21 1.27 3ho7A1 ILE 145 HG23 0.03 0.00 -0.08 -0.04 0.93 0.84 3ho7A1 ILE 145 HD13 0.18 -0.00 -0.08 -0.04 0.88 0.94 3ho7A1 ILE 146 H -0.06 0.74 0.41 -0.55 8.25 8.79 3ho7A1 ILE 146 HA -0.08 0.08 0.96 -0.75 4.18 4.39 3ho7A1 ILE 146 HB -0.12 -0.09 0.06 -0.04 1.89 1.69 3ho7A1 ILE 146 HG12 -0.06 0.10 -0.02 -0.04 1.49 1.48 3ho7A1 ILE 146 HG13 -0.07 -0.05 -0.11 -0.04 1.21 0.93 3ho7A1 ILE 146 HG23 -0.07 -0.01 -0.35 -0.04 0.93 0.47 3ho7A1 ILE 146 HD13 -0.04 -0.03 -0.17 -0.04 0.88 0.59 3ho7A1 ALA 147 H -0.14 0.09 0.10 -0.55 8.40 7.90 3ho7A1 ALA 147 HA -0.12 0.34 0.97 -0.75 4.34 4.78 3ho7A1 ALA 147 HB3 -0.06 -0.02 0.10 -0.04 1.41 1.39 3ho7A1 SER 148 H -0.08 0.21 -0.22 -0.55 8.46 7.84 3ho7A1 SER 148 HA 0.02 0.07 0.41 -0.75 4.49 4.23 3ho7A1 SER 148 HB2 0.16 0.04 0.10 -0.04 3.95 4.20 3ho7A1 SER 148 HB3 0.09 0.24 0.01 -0.04 3.93 4.23 3ho7A1 LYS 149 H 0.05 0.16 0.07 -0.55 8.42 8.16 3ho7A1 LYS 149 HA 0.00 0.05 0.53 -0.75 4.32 4.15 3ho7A1 LYS 149 HB2 0.05 0.06 0.05 -0.04 1.87 1.98 3ho7A1 LYS 149 HB3 0.03 -0.07 -0.01 -0.04 1.79 1.70 3ho7A1 LYS 149 HG2 0.01 0.01 -0.04 -0.04 1.46 1.40 3ho7A1 LYS 149 HG3 0.02 -0.01 -0.02 -0.04 1.46 1.42 3ho7A1 LYS 149 HD2 0.05 0.03 -0.01 -0.04 1.69 1.72 3ho7A1 LYS 149 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 3ho7A1 LYS 149 HE2 0.03 0.03 -0.02 -0.04 2.99 2.99 3ho7A1 LYS 149 HE3 0.02 0.00 -0.04 -0.04 2.99 2.93 3ho7A1 ALA 150 H 0.01 0.09 0.04 -0.55 8.40 8.00 3ho7A1 ALA 150 HA 0.04 0.11 0.32 -0.75 4.34 4.06 3ho7A1 ALA 150 HB3 0.01 0.01 -0.08 -0.04 1.41 1.31 3ho7A1 GLU 151 H 0.03 0.02 -0.11 -0.55 8.60 7.99 3ho7A1 GLU 151 HA 0.03 0.01 0.22 -0.75 4.29 3.79 3ho7A1 GLU 151 HB2 0.05 0.15 -0.51 -0.04 2.09 1.74 3ho7A1 GLU 151 HB3 0.03 0.01 0.09 -0.04 1.99 2.09 3ho7A1 GLU 151 HG2 0.04 0.02 -0.03 -0.04 2.34 2.32 3ho7A1 GLU 151 HG3 0.04 -0.14 -0.19 -0.04 2.34 2.01 3ho7A1 THR 152 H 0.02 0.05 -0.36 -0.55 8.28 7.45 3ho7A1 THR 152 HA 0.02 0.17 0.90 -0.75 4.39 4.73 3ho7A1 THR 152 HB 0.02 -0.12 -0.11 -0.04 4.32 4.07 3ho7A1 THR 152 HG23 0.02 0.05 -0.15 -0.04 1.22 1.10 3ho7A1 GLU 153 H 0.02 0.16 0.09 -0.55 8.60 8.32 3ho7A1 GLU 153 HA 0.01 0.00 0.47 -0.75 4.29 4.02 3ho7A1 GLU 153 HB2 0.01 0.02 0.13 -0.04 2.09 2.21 3ho7A1 GLU 153 HB3 0.01 0.01 0.15 -0.04 1.99 2.12 3ho7A1 GLU 153 HG2 0.01 0.01 -0.00 -0.04 2.34 2.32 3ho7A1 GLU 153 HG3 0.01 0.03 -0.24 -0.04 2.34 2.11 3ho7A1 GLY 154 H 0.01 0.14 0.26 -0.55 8.43 8.30 3ho7A1 GLY 154 HA2 0.01 -0.04 0.40 -0.51 4.01 3.88 3ho7A1 GLY 154 HA3 0.01 0.19 0.70 -0.51 4.01 4.41 3ho7A1 LEU 155 H 0.01 0.52 0.04 -0.55 8.37 8.39 3ho7A1 LEU 155 HA 0.00 0.16 1.12 -0.75 4.35 4.89 3ho7A1 LEU 155 HB2 0.01 -0.05 -0.03 -0.04 1.64 1.53 3ho7A1 LEU 155 HB3 -0.00 0.01 0.11 -0.04 1.64 1.72 3ho7A1 LEU 155 HG 0.01 0.03 -0.33 -0.04 1.64 1.31 3ho7A1 LEU 155 HD13 0.00 0.01 -0.08 -0.04 0.93 0.83 3ho7A1 LEU 155 HD23 -0.00 0.06 -0.27 -0.04 0.89 0.64 3ho7A1 GLU 156 H -0.01 0.72 0.36 -0.55 8.60 9.12 3ho7A1 GLU 156 HA 0.00 0.01 0.47 -0.75 4.29 4.02 3ho7A1 GLU 156 HB2 0.01 -0.01 0.16 -0.04 2.09 2.21 3ho7A1 GLU 156 HB3 0.01 0.06 -0.15 -0.04 1.99 1.88 3ho7A1 GLU 156 HG2 0.01 0.01 -0.29 -0.04 2.34 2.03 3ho7A1 GLU 156 HG3 0.01 0.02 -0.32 -0.04 2.34 2.00 3ho7A1 ASP 157 H -0.00 0.26 0.23 -0.55 8.40 8.34 3ho7A1 ASP 157 HA -0.02 0.38 0.94 -0.75 4.63 5.17 3ho7A1 ASP 157 HB2 -0.03 0.03 -0.14 -0.04 2.71 2.52 3ho7A1 ASP 157 HB3 -0.02 0.00 -0.19 -0.04 2.70 2.45 3ho7A1 ASP 158 H -0.03 0.42 0.27 -0.55 8.40 8.52 3ho7A1 ASP 158 HA -0.02 0.13 0.91 -0.75 4.63 4.89 3ho7A1 ASP 158 HB2 -0.01 0.01 0.07 -0.04 2.71 2.73 3ho7A1 ASP 158 HB3 -0.02 0.11 0.04 -0.04 2.70 2.79 3ho7A1 LEU 159 H -0.05 0.14 0.13 -0.55 8.37 8.04 3ho7A1 LEU 159 HA -0.15 0.00 0.44 -0.75 4.35 3.89 3ho7A1 LEU 159 HB2 -0.11 -0.06 0.06 -0.04 1.64 1.49 3ho7A1 LEU 159 HB3 -0.07 0.03 0.10 -0.04 1.64 1.66 3ho7A1 LEU 159 HG -0.19 0.12 -0.40 -0.04 1.64 1.13 3ho7A1 LEU 159 HD13 -0.60 -0.02 -0.13 -0.04 0.93 0.14 3ho7A1 LEU 159 HD23 -0.12 0.01 -0.06 -0.04 0.89 0.67 3ho7A1 LEU 160 H -0.18 0.48 0.44 -0.55 8.37 8.55 3ho7A1 LEU 160 HA -0.00 0.18 0.92 -0.75 4.35 4.69 3ho7A1 LEU 160 HB2 -0.12 0.09 0.03 -0.04 1.64 1.59 3ho7A1 LEU 160 HB3 0.22 0.00 -0.09 -0.04 1.64 1.74 3ho7A1 LEU 160 HG -0.05 -0.11 -0.08 -0.04 1.64 1.37 3ho7A1 LEU 160 HD13 0.05 -0.02 -0.24 -0.04 0.93 0.68 3ho7A1 LEU 160 HD23 0.02 0.04 -0.07 -0.04 0.89 0.85 3ho7A1 TYR 161 H -0.35 0.37 0.34 -0.55 8.29 8.10 3ho7A1 TYR 161 HA -0.03 0.17 0.40 -0.75 4.56 4.34 3ho7A1 TYR 161 HB2 0.05 0.10 -0.01 -0.04 3.06 3.15 3ho7A1 TYR 161 HB3 0.13 0.22 -0.13 -0.04 2.98 3.15 3ho7A1 TYR 161 HD2 -0.01 0.16 -0.38 -0.04 7.15 6.88 3ho7A1 TYR 161 HE2 -0.03 -0.06 -0.15 -0.04 6.85 6.57 3ho7A1 TYR 162 H 0.23 0.69 0.22 -0.55 8.29 8.88 3ho7A1 TYR 162 HA -0.08 0.15 0.99 -0.75 4.56 4.87 3ho7A1 TYR 162 HB2 0.02 0.11 -0.03 -0.04 3.06 3.13 3ho7A1 TYR 162 HB3 -0.02 -0.07 -0.03 -0.04 2.98 2.82 3ho7A1 TYR 162 HD2 -0.00 0.11 -0.31 -0.04 7.15 6.90 3ho7A1 TYR 162 HE2 -0.01 0.01 -0.08 -0.04 6.85 6.73 3ho7A1 GLU 163 H 0.04 0.54 0.27 -0.55 8.60 8.91 3ho7A1 GLU 163 HA 0.05 0.12 0.82 -0.75 4.29 4.53 3ho7A1 GLU 163 HB2 0.15 0.12 -0.26 -0.04 2.09 2.06 3ho7A1 GLU 163 HB3 -0.12 -0.04 0.04 -0.04 1.99 1.82 3ho7A1 GLU 163 HG2 -0.17 0.03 -0.09 -0.04 2.34 2.07 3ho7A1 GLU 163 HG3 -0.02 -0.00 0.14 -0.04 2.34 2.41 3ho7A1 GLU 164 H -0.02 0.14 0.18 -0.55 8.60 8.35 3ho7A1 GLU 164 HA -0.07 0.21 0.87 -0.75 4.29 4.55 3ho7A1 GLU 164 HB2 0.01 -0.10 0.14 -0.04 2.09 2.10 3ho7A1 GLU 164 HB3 0.04 0.19 -0.01 -0.04 1.99 2.16 3ho7A1 GLU 164 HG2 0.00 0.09 -0.08 -0.04 2.34 2.31 3ho7A1 GLU 164 HG3 0.01 -0.08 0.00 -0.04 2.34 2.23 3ho7A1 PHE 165 H 0.03 0.51 0.29 -0.55 8.34 8.62 3ho7A1 PHE 165 HA 0.05 0.11 0.73 -0.75 4.62 4.75 3ho7A1 PHE 165 HB2 -0.28 0.02 0.12 -0.04 3.15 2.97 3ho7A1 PHE 165 HB3 -0.09 -0.00 -0.06 -0.04 3.06 2.87 3ho7A1 PHE 165 HD2 0.02 -0.00 -0.20 -0.04 7.28 7.06 3ho7A1 PHE 165 HE2 0.08 0.01 -0.10 -0.04 7.38 7.34 3ho7A1 PHE 165 HZ 0.06 0.08 0.06 -0.04 7.32 7.48 3ho7A1 LEU 166 H 0.30 0.61 0.30 -0.55 8.37 9.03 3ho7A1 LEU 166 HA 0.35 0.12 0.97 -0.75 4.35 5.05 3ho7A1 LEU 166 HB2 0.15 -0.01 -0.03 -0.04 1.64 1.71 3ho7A1 LEU 166 HB3 0.16 0.12 -0.09 -0.04 1.64 1.78 3ho7A1 LEU 166 HG 0.09 -0.04 -0.33 -0.04 1.64 1.33 3ho7A1 LEU 166 HD13 0.06 0.00 -0.09 -0.04 0.93 0.86 3ho7A1 LEU 166 HD23 0.14 0.04 0.01 -0.04 0.89 1.04 3ho7A1 GLY 167 H 0.13 0.52 0.28 -0.55 8.43 8.81 3ho7A1 GLY 167 HA2 0.34 0.04 0.68 -0.51 4.01 4.55 3ho7A1 GLY 167 HA3 0.03 0.07 0.38 -0.51 4.01 3.98 3ho7A1 TYR 168 H 0.08 0.71 0.37 -0.55 8.29 8.91 3ho7A1 TYR 168 HA 0.04 0.25 0.70 -0.75 4.56 4.80 3ho7A1 TYR 168 HB2 0.07 -0.07 -0.14 -0.04 3.06 2.88 3ho7A1 TYR 168 HB3 0.02 -0.14 0.07 -0.04 2.98 2.89 3ho7A1 TYR 168 HD2 0.06 0.01 -0.13 -0.04 7.15 7.04 3ho7A1 TYR 168 HE2 0.05 0.09 -0.06 -0.04 6.85 6.88 3ho7A1 VAL 169 H -0.07 0.85 0.13 -0.55 8.24 8.61 3ho7A1 VAL 169 HA -0.04 0.04 0.88 -0.75 4.13 4.25 3ho7A1 VAL 169 HB 0.08 0.18 0.01 -0.04 2.12 2.35 3ho7A1 VAL 169 HG13 0.07 0.03 -0.23 -0.04 0.97 0.80 3ho7A1 VAL 169 HG23 -0.05 -0.01 -0.25 -0.04 0.95 0.60 3ho7A1 SER 170 H -0.03 0.38 0.26 -0.55 8.46 8.52 3ho7A1 SER 170 HA -0.12 0.14 0.42 -0.75 4.49 4.18 3ho7A1 SER 170 HB2 -0.05 0.12 0.15 -0.04 3.95 4.13 3ho7A1 SER 170 HB3 -0.01 0.41 0.05 -0.04 3.93 4.34 3ho7A1 ARG 171 H -0.27 0.19 0.18 -0.55 8.46 8.01 3ho7A1 ARG 171 HA -1.54 0.18 0.38 -0.75 4.34 2.60 3ho7A1 ARG 171 HB2 -0.32 -0.02 0.06 -0.04 1.90 1.58 3ho7A1 ARG 171 HB3 -0.60 0.00 0.12 -0.04 1.80 1.28 3ho7A1 ARG 171 HG2 -0.77 0.08 0.02 -0.04 1.67 0.96 3ho7A1 ARG 171 HG3 -0.35 -0.01 0.10 -0.04 1.67 1.37 3ho7A1 ARG 171 HD2 -0.17 -0.01 0.02 -0.04 3.22 3.03 3ho7A1 ARG 171 HD3 -0.20 -0.03 0.02 -0.04 3.22 2.97 3ho7A1 CYS 172 H -0.15 -0.01 -0.52 -0.55 8.50 7.27 3ho7A1 CYS 172 HA -0.10 0.16 0.65 -0.75 4.58 4.54 3ho7A1 CYS 172 HB2 -0.04 0.12 0.08 -0.04 2.97 3.08 3ho7A1 CYS 172 HB3 -0.04 -0.05 0.14 -0.04 2.97 2.97 3ho7A1 GLU 173 H -0.05 0.38 -0.23 -0.55 8.60 8.16 3ho7A1 GLU 173 HA -0.01 0.14 0.60 -0.75 4.29 4.26 3ho7A1 GLU 173 HB2 0.04 0.01 0.00 -0.04 2.09 2.10 3ho7A1 GLU 173 HB3 -0.02 -0.06 0.07 -0.04 1.99 1.94 3ho7A1 GLU 173 HG2 -0.02 0.09 0.07 -0.04 2.34 2.45 3ho7A1 GLU 173 HG3 -0.03 0.00 -0.05 -0.04 2.34 2.22 3ho7A1 PRO 174 HA 0.03 0.12 0.44 -0.51 4.44 4.52 3ho7A1 PRO 174 HB2 0.00 0.02 0.03 -0.04 2.28 2.29 3ho7A1 PRO 174 HB3 0.01 0.03 0.10 -0.04 2.02 2.12 3ho7A1 PRO 174 HG2 -0.01 0.03 0.12 -0.04 2.03 2.13 3ho7A1 PRO 174 HG3 -0.00 0.07 0.12 -0.04 2.03 2.18 3ho7A1 PRO 174 HD2 -0.01 0.04 0.26 -0.04 3.68 3.93 3ho7A1 PRO 174 HD3 -0.01 0.29 0.31 -0.04 3.65 4.20 3ho7A1 LEU 175 H 0.01 0.10 -0.31 -0.55 8.37 7.62 3ho7A1 LEU 175 HA -0.00 0.04 0.35 -0.75 4.35 3.98 3ho7A1 LEU 175 HB2 -0.01 -0.03 -0.02 -0.04 1.64 1.53 3ho7A1 LEU 175 HB3 -0.03 0.08 -0.09 -0.04 1.64 1.56 3ho7A1 LEU 175 HG -0.01 0.05 -0.06 -0.04 1.64 1.57 3ho7A1 LEU 175 HD13 -0.03 -0.01 -0.20 -0.04 0.93 0.65 3ho7A1 LEU 175 HD23 -0.02 0.00 0.05 -0.04 0.89 0.88 3ho7A1 PHE 176 H 0.15 0.55 -0.63 -0.55 8.34 7.86 3ho7A1 PHE 176 HA -0.05 0.10 0.32 -0.75 4.62 4.24 3ho7A1 PHE 176 HB2 -0.05 0.08 0.03 -0.04 3.15 3.17 3ho7A1 PHE 176 HB3 -0.03 0.02 -0.02 -0.04 3.06 2.98 3ho7A1 PHE 176 HD2 -0.05 0.03 -0.23 -0.04 7.28 6.99 3ho7A1 PHE 176 HE2 -0.05 -0.04 -0.08 -0.04 7.38 7.17 3ho7A1 PHE 176 HZ -0.04 -0.07 -0.07 -0.04 7.32 7.11 3ho7A1 GLU 177 H 0.08 0.31 -0.24 -0.55 8.60 8.21 3ho7A1 GLU 177 HA -0.01 0.10 0.42 -0.75 4.29 4.04 3ho7A1 GLU 177 HB2 0.02 -0.07 0.11 -0.04 2.09 2.11 3ho7A1 GLU 177 HB3 0.07 -0.02 0.07 -0.04 1.99 2.07 3ho7A1 GLU 177 HG2 0.03 0.47 0.15 -0.04 2.34 2.94 3ho7A1 GLU 177 HG3 0.00 -0.06 -0.22 -0.04 2.34 2.03 3ho7A1 GLN 178 H -0.05 0.30 -0.59 -0.55 8.47 7.58 3ho7A1 GLN 178 HA -0.05 0.06 0.78 -0.75 4.36 4.40 3ho7A1 GLN 178 HB2 -0.05 0.20 0.07 -0.04 2.15 2.33 3ho7A1 GLN 178 HB3 -0.04 -0.15 0.11 -0.04 2.02 1.90 3ho7A1 GLN 178 HG2 -0.02 0.02 -0.07 -0.04 2.40 2.29 3ho7A1 GLN 178 HG3 -0.02 -0.07 -0.00 -0.04 2.39 2.26 3ho7A1 GLN 178 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.85 3ho7A1 GLN 178 HE22 -0.01 -0.01 -0.07 -0.04 7.69 7.56 3ho7A1 ASP 179 H -0.05 0.01 0.16 -0.55 8.40 7.97 3ho7A1 ASP 179 HA -0.10 0.25 0.53 -0.75 4.63 4.57 3ho7A1 ASP 179 HB2 -0.03 -0.07 0.04 -0.04 2.71 2.61 3ho7A1 ASP 179 HB3 -0.04 0.01 0.09 -0.04 2.70 2.71 3ho7A1 VAL 180 H -0.05 0.02 -0.02 -0.55 8.24 7.65 3ho7A1 VAL 180 HA -0.06 0.38 0.81 -0.75 4.13 4.51 3ho7A1 VAL 180 HB -0.01 -0.04 -0.08 -0.04 2.12 1.94 3ho7A1 VAL 180 HG13 -0.00 -0.00 -0.28 -0.04 0.97 0.64 3ho7A1 VAL 180 HG23 -0.01 -0.05 -0.15 -0.04 0.95 0.70 3ho7A1 ILE 181 H -0.16 0.48 0.12 -0.55 8.25 8.14 3ho7A1 ILE 181 HA -0.12 0.10 0.46 -0.75 4.18 3.86 3ho7A1 ILE 181 HB -0.76 -0.04 0.10 -0.04 1.89 1.14 3ho7A1 ILE 181 HG12 -0.24 0.17 -0.09 -0.04 1.49 1.29 3ho7A1 ILE 181 HG13 -0.45 -0.07 -0.02 -0.04 1.21 0.63 3ho7A1 ILE 181 HG23 -0.27 -0.04 -0.30 -0.04 0.93 0.28 3ho7A1 ILE 181 HD13 -0.12 0.00 -0.10 -0.04 0.88 0.62 3ho7A1 ARG 182 H -0.03 0.23 0.12 -0.55 8.46 8.23 3ho7A1 ARG 182 HA 0.03 0.14 0.77 -0.75 4.34 4.53 3ho7A1 ARG 182 HB2 0.01 -0.04 0.15 -0.04 1.90 1.97 3ho7A1 ARG 182 HB3 0.01 -0.03 0.01 -0.04 1.80 1.75 3ho7A1 ARG 182 HG2 -0.00 0.01 -0.07 -0.04 1.67 1.56 3ho7A1 ARG 182 HG3 -0.02 0.20 -0.01 -0.04 1.67 1.80 3ho7A1 ARG 182 HD2 -0.01 0.01 0.00 -0.04 3.22 3.19 3ho7A1 ARG 182 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.12 3ho7A1 THR 183 H 0.10 0.28 0.11 -0.55 8.28 8.22 3ho7A1 THR 183 HA 0.33 0.07 0.28 -0.75 4.39 4.31 3ho7A1 THR 183 HB 0.00 -0.05 0.10 -0.04 4.32 4.34 3ho7A1 THR 183 HG23 -0.30 0.01 -0.09 -0.04 1.22 0.80 3ho7A1 THR 184 H 0.02 0.05 -0.25 -0.55 8.28 7.55 3ho7A1 THR 184 HA -0.01 0.14 0.32 -0.75 4.39 4.08 3ho7A1 THR 184 HB -0.01 0.04 0.09 -0.04 4.32 4.40 3ho7A1 THR 184 HG23 -0.02 -0.01 0.01 -0.04 1.22 1.17 3ho7A1 GLU 185 H 0.03 0.53 -0.49 -0.55 8.60 8.13 3ho7A1 GLU 185 HA -0.00 0.20 0.87 -0.75 4.29 4.61 3ho7A1 GLU 185 HB2 0.00 -0.01 0.05 -0.04 2.09 2.10 3ho7A1 GLU 185 HB3 -0.00 -0.05 0.07 -0.04 1.99 1.97 3ho7A1 GLU 185 HG2 -0.00 0.04 -0.05 -0.04 2.34 2.29 3ho7A1 GLU 185 HG3 0.00 -0.09 -0.26 -0.04 2.34 1.95 3ho7A1 VAL 186 H 0.08 0.36 -0.10 -0.55 8.24 8.04 3ho7A1 VAL 186 HA -0.01 -0.05 0.48 -0.75 4.13 3.80 3ho7A1 VAL 186 HB 0.32 0.17 0.13 -0.04 2.12 2.70 3ho7A1 VAL 186 HG13 0.01 -0.03 -0.30 -0.04 0.97 0.62 3ho7A1 VAL 186 HG23 0.19 0.01 -0.12 -0.04 0.95 0.99 3ho7A1 ASN 187 H -0.07 0.10 0.15 -0.55 8.53 8.16 3ho7A1 ASN 187 HA -0.11 0.20 0.53 -0.75 4.76 4.63 3ho7A1 ASN 187 HB2 -0.06 0.10 0.12 -0.04 2.88 3.00 3ho7A1 ASN 187 HB3 -0.10 -0.07 0.15 -0.04 2.79 2.74 3ho7A1 ASN 187 HD21 0.03 0.02 -0.01 -0.04 7.03 7.03 3ho7A1 ASN 187 HD22 -0.03 0.02 0.02 -0.04 7.74 7.72 3ho7A1 PRO 188 HA -0.16 0.04 0.21 -0.51 4.44 4.02 3ho7A1 PRO 188 HB2 -0.28 0.04 -0.81 -0.04 2.28 1.19 3ho7A1 PRO 188 HB3 -0.15 0.07 -0.12 -0.04 2.02 1.78 3ho7A1 PRO 188 HG2 -0.93 -0.02 0.05 -0.04 2.03 1.08 3ho7A1 PRO 188 HG3 -0.28 0.18 0.11 -0.04 2.03 1.99 3ho7A1 PRO 188 HD2 -0.24 0.00 0.22 -0.04 3.68 3.62 3ho7A1 PRO 188 HD3 -0.14 0.34 0.25 -0.04 3.65 4.06 3ho7A1 HIS 189 H -0.40 0.04 -0.32 -0.55 8.41 7.18 3ho7A1 HIS 189 HA -0.16 0.29 0.49 -0.75 4.63 4.49 3ho7A1 HIS 189 HB2 -0.09 -0.09 0.02 -0.04 3.26 3.06 3ho7A1 HIS 189 HB3 -0.09 -0.02 0.22 -0.04 3.20 3.27 3ho7A1 HIS 189 HD2 -0.04 -0.05 0.03 -0.04 6.97 6.87 3ho7A1 HIS 189 HE1 -0.02 -0.20 0.14 -0.04 7.75 7.63 3ho7A1 ARG 190 H -0.22 0.47 -0.42 -0.55 8.46 7.74 3ho7A1 ARG 190 HA -0.45 0.20 0.85 -0.75 4.34 4.19 3ho7A1 ARG 190 HB2 -0.16 0.01 0.10 -0.04 1.90 1.82 3ho7A1 ARG 190 HB3 -0.17 -0.14 0.25 -0.04 1.80 1.69 3ho7A1 ARG 190 HG2 -0.09 0.07 -0.06 -0.04 1.67 1.55 3ho7A1 ARG 190 HG3 -0.06 -0.08 -0.35 -0.04 1.67 1.15 3ho7A1 ARG 190 HD2 -0.02 0.02 -0.01 -0.04 3.22 3.16 3ho7A1 ARG 190 HD3 -0.05 -0.02 0.02 -0.04 3.22 3.13 3ho7A1 LEU 191 H -0.49 0.39 -0.16 -0.55 8.37 7.56 3ho7A1 LEU 191 HA -0.51 0.17 0.95 -0.75 4.35 4.21 3ho7A1 LEU 191 HB2 -0.27 0.03 -0.16 -0.04 1.64 1.20 3ho7A1 LEU 191 HB3 -0.28 0.14 0.06 -0.04 1.64 1.52 3ho7A1 LEU 191 HG -0.29 -0.07 -0.43 -0.04 1.64 0.82 3ho7A1 LEU 191 HD13 -0.56 0.01 -0.16 -0.04 0.93 0.17 3ho7A1 LEU 191 HD23 -0.02 -0.01 -0.17 -0.04 0.89 0.65 3ho7A1 TRP 192 H -0.38 0.75 0.37 -0.55 7.97 8.16 3ho7A1 TRP 192 HA -0.47 0.17 0.94 -0.75 4.62 4.50 3ho7A1 TRP 192 HB2 -0.80 -0.04 0.15 -0.04 3.23 2.51 3ho7A1 TRP 192 HB3 -2.04 -0.12 -0.03 -0.04 3.23 1.01 3ho7A1 TRP 192 HD1 -0.18 0.03 -0.15 -0.04 7.22 6.88 3ho7A1 TRP 192 HE1 -0.05 0.32 -0.19 -0.04 10.20 10.24 3ho7A1 TRP 192 HE3 -0.17 -0.06 0.00 -0.04 7.59 7.33 3ho7A1 TRP 192 HZ2 0.03 -0.01 -0.14 -0.04 7.44 7.28 3ho7A1 TRP 192 HZ3 0.21 -0.02 -0.09 -0.04 7.13 7.19 3ho7A1 TRP 192 HH2 0.11 -0.02 -0.08 -0.04 7.19 7.16 3ho7A1 LEU 193 H -0.09 0.30 0.09 -0.55 8.37 8.12 3ho7A1 LEU 193 HA 0.22 0.14 0.97 -0.75 4.35 4.92 3ho7A1 LEU 193 HB2 0.07 0.05 -0.02 -0.04 1.64 1.70 3ho7A1 LEU 193 HB3 0.19 -0.05 -0.15 -0.04 1.64 1.59 3ho7A1 LEU 193 HG -0.11 0.05 -0.42 -0.04 1.64 1.12 3ho7A1 LEU 193 HD13 0.06 0.01 -0.28 -0.04 0.93 0.69 3ho7A1 LEU 193 HD23 -0.10 0.03 -0.18 -0.04 0.89 0.60 3ho7A1 LEU 194 H 0.98 0.19 0.10 -0.55 8.37 9.09 3ho7A1 LEU 194 HA 0.39 0.16 0.57 -0.75 4.35 4.71 3ho7A1 LEU 194 HB2 -0.33 -0.11 0.19 -0.04 1.64 1.35 3ho7A1 LEU 194 HB3 0.01 -0.19 0.11 -0.04 1.64 1.53 3ho7A1 LEU 194 HG 0.42 0.11 -0.05 -0.04 1.64 2.08 3ho7A1 LEU 194 HD13 -0.17 0.02 0.02 -0.04 0.93 0.76 3ho7A1 LEU 194 HD23 -0.07 0.00 -0.26 -0.04 0.89 0.52 3ho7A1 ASP 195 H 0.19 0.19 0.22 -0.55 8.40 8.45 3ho7A1 ASP 195 HA 0.16 0.20 0.37 -0.75 4.63 4.60 3ho7A1 ASP 195 HB2 0.12 -0.10 0.17 -0.04 2.71 2.86 3ho7A1 ASP 195 HB3 0.13 0.09 0.04 -0.04 2.70 2.92 3ho7A1 GLU 196 H 0.10 0.01 -0.12 -0.55 8.60 8.04 3ho7A1 GLU 196 HA 0.24 0.25 0.73 -0.75 4.29 4.75 3ho7A1 GLU 196 HB2 0.16 0.05 -0.00 -0.04 2.09 2.26 3ho7A1 GLU 196 HB3 0.06 -0.02 0.07 -0.04 1.99 2.06 3ho7A1 GLU 196 HG2 -0.06 0.04 -0.15 -0.04 2.34 2.13 3ho7A1 GLU 196 HG3 -0.06 0.08 0.10 -0.04 2.34 2.42 3ho7A1 GLY 197 H 0.02 -0.08 -0.10 -0.55 8.43 7.72 3ho7A1 GLY 197 HA2 0.01 0.10 0.47 -0.51 4.01 4.08 3ho7A1 GLY 197 HA3 -0.15 0.02 0.32 -0.51 4.01 3.68 3ho7A1 HIS 198 H 0.03 0.28 -0.13 -0.55 8.41 8.04 3ho7A1 HIS 198 HA -0.06 0.28 0.91 -0.75 4.63 5.00 3ho7A1 HIS 198 HB2 0.09 0.08 0.02 -0.04 3.26 3.41 3ho7A1 HIS 198 HB3 -0.00 0.03 0.02 -0.04 3.20 3.21 3ho7A1 HIS 198 HD2 -0.04 0.10 -0.11 -0.04 6.97 6.88 3ho7A1 HIS 198 HE1 0.25 0.09 0.10 -0.04 7.75 8.14 3ho7A1 CYS 199 H 0.17 0.21 -0.27 -0.55 8.50 8.05 3ho7A1 CYS 199 HA 0.10 0.04 0.79 -0.75 4.58 4.75 3ho7A1 CYS 199 HB2 0.14 0.14 0.16 -0.04 2.97 3.36 3ho7A1 CYS 199 HB3 0.10 -0.05 0.19 -0.04 2.97 3.17 3ho7A1 PHE 200 H 0.24 0.20 -0.34 -0.55 8.34 7.89 3ho7A1 PHE 200 HA 0.03 0.04 0.71 -0.75 4.62 4.65 3ho7A1 PHE 200 HB2 0.04 0.05 0.22 -0.04 3.15 3.42 3ho7A1 PHE 200 HB3 0.04 0.08 0.12 -0.04 3.06 3.26 3ho7A1 PHE 200 HD2 0.02 0.01 -0.02 -0.04 7.28 7.25 3ho7A1 PHE 200 HE2 0.01 0.01 -0.06 -0.04 7.38 7.30 3ho7A1 PHE 200 HZ 0.01 0.05 -0.08 -0.04 7.32 7.26 3ho7A1 ARG 201 H -0.32 0.15 0.20 -0.55 8.46 7.94 3ho7A1 ARG 201 HA -0.21 0.03 0.31 -0.75 4.34 3.72 3ho7A1 ARG 201 HB2 -0.24 0.19 0.13 -0.04 1.90 1.94 3ho7A1 ARG 201 HB3 -0.22 0.02 0.16 -0.04 1.80 1.72 3ho7A1 ARG 201 HG2 -0.52 -0.02 0.03 -0.04 1.67 1.12 3ho7A1 ARG 201 HG3 -1.19 -0.06 -0.24 -0.04 1.67 0.13 3ho7A1 ARG 201 HD2 -0.18 0.02 0.01 -0.04 3.22 3.02 3ho7A1 ARG 201 HD3 -0.24 -0.00 -0.02 -0.04 3.22 2.91 3ho7A1 ASP 202 H -0.03 0.37 -0.41 -0.55 8.40 7.78 3ho7A1 ASP 202 HA 0.03 -0.04 0.16 -0.75 4.63 4.02 3ho7A1 ASP 202 HB2 -0.04 0.05 -0.43 -0.04 2.71 2.25 3ho7A1 ASP 202 HB3 -0.01 -0.03 0.05 -0.04 2.70 2.67 3ho7A1 GLN 203 H 0.05 0.00 -0.39 -0.55 8.47 7.58 3ho7A1 GLN 203 HA -0.02 0.06 0.26 -0.75 4.36 3.91 3ho7A1 GLN 203 HB2 0.11 0.12 0.02 -0.04 2.15 2.36 3ho7A1 GLN 203 HB3 0.07 0.06 0.06 -0.04 2.02 2.17 3ho7A1 GLN 203 HG2 0.07 -0.10 -0.22 -0.04 2.40 2.11 3ho7A1 GLN 203 HG3 0.08 0.21 -0.16 -0.04 2.39 2.47 3ho7A1 GLN 203 HE21 0.17 -0.15 0.20 -0.04 6.97 7.15 3ho7A1 GLN 203 HE22 0.16 0.21 0.21 -0.04 7.69 8.23 3ho7A1 LEU 204 H -0.01 0.47 -0.00 -0.55 8.37 8.28 3ho7A1 LEU 204 HA -0.04 0.17 0.71 -0.75 4.35 4.44 3ho7A1 LEU 204 HB2 -0.02 -0.00 0.13 -0.04 1.64 1.70 3ho7A1 LEU 204 HB3 0.08 -0.04 0.14 -0.04 1.64 1.78 3ho7A1 LEU 204 HG -0.47 0.05 0.02 -0.04 1.64 1.19 3ho7A1 LEU 204 HD13 -0.92 -0.01 -0.00 -0.04 0.93 -0.05 3ho7A1 LEU 204 HD23 -0.37 0.02 -0.01 -0.04 0.89 0.49 3ho7A1 VAL 205 H 0.00 0.69 -0.38 -0.55 8.24 8.00 3ho7A1 VAL 205 HA 0.02 -0.09 0.09 -0.75 4.13 3.39 3ho7A1 VAL 205 HB -0.01 0.35 0.12 -0.04 2.12 2.55 3ho7A1 VAL 205 HG13 -0.01 0.03 -0.01 -0.04 0.97 0.94 3ho7A1 VAL 205 HG23 -0.01 -0.03 -0.07 -0.04 0.95 0.80 3ho7A1 ARG 206 H -0.08 0.14 -0.36 -0.55 8.46 7.60 3ho7A1 ARG 206 HA -0.18 0.08 0.27 -0.75 4.34 3.75 3ho7A1 ARG 206 HB2 -0.37 0.02 0.07 -0.04 1.90 1.58 3ho7A1 ARG 206 HB3 -0.21 0.01 0.05 -0.04 1.80 1.61 3ho7A1 ARG 206 HG2 -0.49 -0.06 -0.15 -0.04 1.67 0.94 3ho7A1 ARG 206 HG3 -2.20 0.04 -0.33 -0.04 1.67 -0.86 3ho7A1 ARG 206 HD2 0.10 -0.00 -0.05 -0.04 3.22 3.23 3ho7A1 ARG 206 HD3 -0.24 -0.01 -0.02 -0.04 3.22 2.91 3ho7A1 PHE 207 H 0.06 0.44 -0.40 -0.55 8.34 7.88 3ho7A1 PHE 207 HA 0.01 0.23 0.90 -0.75 4.62 5.00 3ho7A1 PHE 207 HB2 0.06 0.01 -0.00 -0.04 3.15 3.18 3ho7A1 PHE 207 HB3 0.06 0.01 -0.08 -0.04 3.06 3.01 3ho7A1 PHE 207 HD2 0.00 0.03 -0.07 -0.04 7.28 7.20 3ho7A1 PHE 207 HE2 0.10 0.04 -0.05 -0.04 7.38 7.42 3ho7A1 PHE 207 HZ 0.24 -0.04 -0.09 -0.04 7.32 7.39 3ho7A1 CYS 208 H 0.14 0.39 -0.00 -0.55 8.50 8.47 3ho7A1 CYS 208 HA 0.09 0.04 0.31 -0.75 4.58 4.27 3ho7A1 CYS 208 HB2 0.06 0.02 -0.11 -0.04 2.97 2.90 3ho7A1 CYS 208 HB3 0.08 -0.01 -0.04 -0.04 2.97 2.96 3ho7A1 GLN 209 H 0.03 0.41 -0.34 -0.55 8.47 8.02 3ho7A1 GLN 209 HA 0.07 0.18 0.82 -0.75 4.36 4.67 3ho7A1 GLN 209 HB2 0.00 0.12 0.01 -0.04 2.15 2.24 3ho7A1 GLN 209 HB3 0.02 -0.04 0.12 -0.04 2.02 2.08 3ho7A1 GLN 209 HG2 0.03 -0.11 -0.24 -0.04 2.40 2.03 3ho7A1 GLN 209 HG3 0.01 -0.01 -0.05 -0.04 2.39 2.30 3ho7A1 GLN 209 HE21 0.04 -0.02 -0.04 -0.04 6.97 6.91 3ho7A1 GLN 209 HE22 0.02 -0.05 -0.08 -0.04 7.69 7.55 3ho7A1 MET 210 H 0.02 0.31 -0.46 -0.55 8.47 7.79 3ho7A1 MET 210 HA -0.03 0.03 0.51 -0.75 4.52 4.28 3ho7A1 MET 210 HB2 -0.05 0.01 0.09 -0.04 2.15 2.15 3ho7A1 MET 210 HB3 -0.08 0.30 0.14 -0.04 2.03 2.35 3ho7A1 MET 210 HG2 0.05 0.43 0.18 -0.04 2.63 3.25 3ho7A1 MET 210 HG3 -0.02 -0.15 -0.10 -0.04 2.56 2.25 3ho7A1 MET 210 HE3 0.07 -0.02 0.10 -0.04 2.10 2.20 3ho7A1 LYS 211 H -0.02 0.11 0.17 -0.55 8.42 8.13 3ho7A1 LYS 211 HA 0.02 0.00 0.41 -0.75 4.32 4.00 3ho7A1 LYS 211 HB2 -0.02 0.03 0.11 -0.04 1.87 1.95 3ho7A1 LYS 211 HB3 0.01 -0.01 0.06 -0.04 1.79 1.80 3ho7A1 LYS 211 HG2 -0.01 0.01 0.14 -0.04 1.46 1.56 3ho7A1 LYS 211 HG3 -0.01 0.01 0.06 -0.04 1.46 1.48 3ho7A1 LYS 211 HD2 0.01 -0.03 0.03 -0.04 1.69 1.67 3ho7A1 LYS 211 HD3 0.01 0.03 -0.01 -0.04 1.68 1.67 3ho7A1 LYS 211 HE2 -0.00 0.05 0.03 -0.04 2.99 3.02 3ho7A1 LYS 211 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.95 3ho7A1 GLY 212 H 0.05 0.10 0.15 -0.55 8.43 8.18 3ho7A1 GLY 212 HA2 0.13 -0.01 0.30 -0.51 4.01 3.92 3ho7A1 GLY 212 HA3 -0.08 0.17 0.55 -0.51 4.01 4.14 3ho7A1 LEU 213 H -0.01 0.35 -0.30 -0.55 8.37 7.86 3ho7A1 LEU 213 HA -0.14 0.15 0.28 -0.75 4.35 3.89 3ho7A1 LEU 213 HB2 -0.07 0.17 0.06 -0.04 1.64 1.75 3ho7A1 LEU 213 HB3 -0.07 -0.12 0.10 -0.04 1.64 1.51 3ho7A1 LEU 213 HG -0.70 -0.07 -0.21 -0.04 1.64 0.61 3ho7A1 LEU 213 HD13 -0.18 0.02 0.03 -0.04 0.93 0.77 3ho7A1 LEU 213 HD23 -0.10 0.01 0.01 -0.04 0.89 0.77 3ho7A1 HIS 214 H 0.15 0.02 -0.20 -0.55 8.41 7.84 3ho7A1 HIS 214 HA 0.04 0.17 0.26 -0.75 4.63 4.35 3ho7A1 HIS 214 HB2 0.04 -0.04 0.02 -0.04 3.26 3.24 3ho7A1 HIS 214 HB3 0.04 0.00 0.14 -0.04 3.20 3.34 3ho7A1 HIS 214 HD2 0.06 -0.02 -0.02 -0.04 6.97 6.95 3ho7A1 HIS 214 HE1 0.04 0.10 0.02 -0.04 7.75 7.87 3ho7A1 GLU 215 H 0.15 0.49 -0.88 -0.55 8.60 7.81 3ho7A1 GLU 215 HA 0.05 0.12 0.81 -0.75 4.29 4.52 3ho7A1 GLU 215 HB2 0.33 0.16 0.17 -0.04 2.09 2.71 3ho7A1 GLU 215 HB3 -0.10 -0.02 0.08 -0.04 1.99 1.90 3ho7A1 GLU 215 HG2 0.04 0.02 -0.03 -0.04 2.34 2.34 3ho7A1 GLU 215 HG3 0.11 -0.11 -0.16 -0.04 2.34 2.13 3ho7A1 ARG 216 H 0.02 0.46 0.03 -0.55 8.46 8.42 3ho7A1 ARG 216 HA -0.08 0.01 0.34 -0.75 4.34 3.85 3ho7A1 ARG 216 HB2 -0.02 -0.11 0.07 -0.04 1.90 1.80 3ho7A1 ARG 216 HB3 -0.02 0.20 0.14 -0.04 1.80 2.08 3ho7A1 ARG 216 HG2 0.01 0.01 -0.38 -0.04 1.67 1.27 3ho7A1 ARG 216 HG3 0.04 -0.09 -0.49 -0.04 1.67 1.09 3ho7A1 ARG 216 HD2 0.01 -0.15 0.04 -0.04 3.22 3.08 3ho7A1 ARG 216 HD3 -0.05 0.00 0.01 -0.04 3.22 3.15 3ho7A1 GLN 217 H -0.01 0.13 0.10 -0.55 8.47 8.15 3ho7A1 GLN 217 HA 0.02 0.06 0.47 -0.75 4.36 4.15 3ho7A1 GLN 217 HB2 0.01 0.01 0.13 -0.04 2.15 2.26 3ho7A1 GLN 217 HB3 0.03 -0.04 0.20 -0.04 2.02 2.18 3ho7A1 GLN 217 HG2 0.05 0.06 -0.46 -0.04 2.40 2.01 3ho7A1 GLN 217 HG3 0.03 -0.01 -0.05 -0.04 2.39 2.32 3ho7A1 GLN 217 HE21 0.02 0.00 -0.00 -0.04 6.97 6.95 3ho7A1 GLN 217 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.66 3ho7A1 THR 218 H 0.09 0.09 -0.03 -0.55 8.28 7.88 3ho7A1 THR 218 HA 0.09 0.11 0.66 -0.75 4.39 4.49 3ho7A1 THR 218 HB 0.25 0.01 0.09 -0.04 4.32 4.63 3ho7A1 THR 218 HG23 0.15 -0.00 -0.19 -0.04 1.22 1.13 3ho7A1 ALA 219 H 0.10 0.18 0.20 -0.55 8.40 8.33 3ho7A1 ALA 219 HA 0.19 0.19 0.79 -0.75 4.34 4.75 3ho7A1 ALA 219 HB3 0.13 0.01 0.05 -0.04 1.41 1.57 3ho7A1 TYR 220 H 0.39 0.26 0.09 -0.55 8.29 8.48 3ho7A1 TYR 220 HA 0.18 0.17 0.94 -0.75 4.56 5.10 3ho7A1 TYR 220 HB2 0.49 0.10 -0.15 -0.04 3.06 3.46 3ho7A1 TYR 220 HB3 0.52 -0.02 0.10 -0.04 2.98 3.54 3ho7A1 TYR 220 HD2 -0.00 0.02 -0.31 -0.04 7.15 6.82 3ho7A1 TYR 220 HE2 -0.10 0.01 -0.13 -0.04 6.85 6.58 3ho7A1 SER 221 H 0.20 0.31 0.15 -0.55 8.46 8.58 3ho7A1 SER 221 HA 0.29 0.14 1.01 -0.75 4.49 5.17 3ho7A1 SER 221 HB2 0.17 0.06 -0.11 -0.04 3.95 4.02 3ho7A1 SER 221 HB3 0.12 0.05 0.05 -0.04 3.93 4.11 3ho7A1 GLY 222 H 0.19 0.11 0.21 -0.55 8.43 8.40 3ho7A1 GLY 222 HA2 0.10 -0.05 0.38 -0.51 4.01 3.93 3ho7A1 GLY 222 HA3 0.10 0.16 0.56 -0.51 4.01 4.33 3ho7A1 GLY 223 H 0.25 0.01 -0.36 -0.55 8.43 7.79 3ho7A1 GLY 223 HA2 0.10 0.10 0.21 -0.51 4.01 3.91 3ho7A1 GLY 223 HA3 -0.54 0.07 0.14 -0.51 4.01 3.18 3ho7A1 SER 224 H -0.47 0.14 0.16 -0.55 8.46 7.75 3ho7A1 SER 224 HA -0.24 0.21 0.91 -0.75 4.49 4.62 3ho7A1 SER 224 HB2 -0.13 0.02 0.14 -0.04 3.95 3.94 3ho7A1 SER 224 HB3 -0.13 0.16 0.05 -0.04 3.93 3.98 3ho7A1 MET 225 H -0.13 0.21 0.13 -0.55 8.47 8.14 3ho7A1 MET 225 HA 0.00 0.10 0.38 -0.75 4.52 4.25 3ho7A1 MET 225 HB2 0.06 -0.01 0.14 -0.04 2.15 2.29 3ho7A1 MET 225 HB3 0.05 0.02 0.08 -0.04 2.03 2.14 3ho7A1 MET 225 HG2 0.21 0.07 -0.01 -0.04 2.63 2.85 3ho7A1 MET 225 HG3 0.07 -0.00 -0.13 -0.04 2.56 2.46 3ho7A1 MET 225 HE3 0.11 -0.01 0.09 -0.04 2.10 2.25 3ho7A1 GLU 226 H -0.10 0.05 -0.22 -0.55 8.60 7.79 3ho7A1 GLU 226 HA -0.03 0.14 0.33 -0.75 4.29 3.98 3ho7A1 GLU 226 HB2 -0.06 0.03 0.07 -0.04 2.09 2.09 3ho7A1 GLU 226 HB3 -0.08 -0.09 0.05 -0.04 1.99 1.82 3ho7A1 GLU 226 HG2 -0.04 0.02 -0.20 -0.04 2.34 2.08 3ho7A1 GLU 226 HG3 -0.03 0.06 -0.01 -0.04 2.34 2.32 3ho7A1 ALA 227 H -0.20 -0.01 -0.21 -0.55 8.40 7.43 3ho7A1 ALA 227 HA -0.10 0.10 0.34 -0.75 4.34 3.93 3ho7A1 ALA 227 HB3 -0.25 0.01 0.08 -0.04 1.41 1.21 3ho7A1 PHE 228 H -0.38 0.46 -0.17 -0.55 8.34 7.71 3ho7A1 PHE 228 HA -0.49 0.06 0.33 -0.75 4.62 3.76 3ho7A1 PHE 228 HB2 -0.03 0.04 0.06 -0.04 3.15 3.18 3ho7A1 PHE 228 HB3 0.01 0.04 -0.07 -0.04 3.06 3.00 3ho7A1 PHE 228 HD2 -0.33 0.01 -0.17 -0.04 7.28 6.75 3ho7A1 PHE 228 HE2 -0.52 -0.07 -0.34 -0.04 7.38 6.41 3ho7A1 PHE 228 HZ -0.05 0.04 -0.21 -0.04 7.32 7.06 3ho7A1 MET 229 H 0.07 0.63 -0.14 -0.55 8.47 8.48 3ho7A1 MET 229 HA 0.31 0.04 0.38 -0.75 4.52 4.49 3ho7A1 MET 229 HB2 0.03 0.06 0.09 -0.04 2.15 2.29 3ho7A1 MET 229 HB3 0.08 -0.02 -0.03 -0.04 2.03 2.03 3ho7A1 MET 229 HG2 -0.21 -0.02 -0.08 -0.04 2.63 2.28 3ho7A1 MET 229 HG3 0.03 0.18 0.04 -0.04 2.56 2.77 3ho7A1 MET 229 HE3 -0.41 0.02 -0.10 -0.04 2.10 1.57 3ho7A1 ARG 230 H 0.02 0.54 -0.16 -0.55 8.46 8.30 3ho7A1 ARG 230 HA 0.05 0.01 0.36 -0.75 4.34 4.01 3ho7A1 ARG 230 HB2 -0.03 0.10 0.12 -0.04 1.90 2.05 3ho7A1 ARG 230 HB3 -0.00 -0.04 0.01 -0.04 1.80 1.73 3ho7A1 ARG 230 HG2 -0.01 0.33 0.05 -0.04 1.67 2.01 3ho7A1 ARG 230 HG3 -0.01 -0.10 -0.06 -0.04 1.67 1.45 3ho7A1 ARG 230 HD2 0.01 -0.04 -0.03 -0.04 3.22 3.11 3ho7A1 ARG 230 HD3 0.02 0.01 -0.00 -0.04 3.22 3.20 3ho7A1 LEU 231 H -0.05 0.42 -0.31 -0.55 8.37 7.88 3ho7A1 LEU 231 HA -0.03 -0.00 0.39 -0.75 4.35 3.96 3ho7A1 LEU 231 HB2 -0.34 0.13 0.16 -0.04 1.64 1.55 3ho7A1 LEU 231 HB3 -0.13 0.09 -0.01 -0.04 1.64 1.55 3ho7A1 LEU 231 HG -0.23 0.08 -0.01 -0.04 1.64 1.44 3ho7A1 LEU 231 HD13 -1.21 -0.04 -0.11 -0.04 0.93 -0.47 3ho7A1 LEU 231 HD23 -0.09 -0.02 -0.04 -0.04 0.89 0.70 3ho7A1 VAL 232 H 0.09 0.48 -0.10 -0.55 8.24 8.17 3ho7A1 VAL 232 HA 0.09 0.15 0.18 -0.75 4.13 3.80 3ho7A1 VAL 232 HB 0.20 0.02 0.02 -0.04 2.12 2.33 3ho7A1 VAL 232 HG13 -0.18 -0.01 -0.44 -0.04 0.97 0.31 3ho7A1 VAL 232 HG23 0.22 0.06 -0.19 -0.04 0.95 0.99 3ho7A1 GLU 233 H 0.08 0.63 -0.20 -0.55 8.60 8.56 3ho7A1 GLU 233 HA -0.05 0.03 0.36 -0.75 4.29 3.87 3ho7A1 GLU 233 HB2 0.06 0.08 0.05 -0.04 2.09 2.24 3ho7A1 GLU 233 HB3 0.03 -0.07 0.04 -0.04 1.99 1.95 3ho7A1 GLU 233 HG2 0.10 -0.04 -0.02 -0.04 2.34 2.34 3ho7A1 GLU 233 HG3 0.24 0.13 0.03 -0.04 2.34 2.70 3ho7A1 SER 234 H 0.02 0.35 -0.66 -0.55 8.46 7.63 3ho7A1 SER 234 HA -0.00 0.07 0.63 -0.75 4.49 4.43 3ho7A1 SER 234 HB2 0.01 -0.10 0.16 -0.04 3.95 3.98 3ho7A1 SER 234 HB3 0.01 -0.01 0.08 -0.04 3.93 3.97 3ho7A1 GLY 235 H -0.02 0.52 -0.37 -0.55 8.43 8.01 3ho7A1 GLY 235 HA2 -0.06 -0.16 0.34 -0.51 4.01 3.62 3ho7A1 GLY 235 HA3 -0.03 0.10 0.62 -0.51 4.01 4.19 3ho7A1 GLN 236 H 0.07 0.54 -0.08 -0.55 8.47 8.44 3ho7A1 GLN 236 HA 0.10 0.13 1.03 -0.75 4.36 4.87 3ho7A1 GLN 236 HB2 0.23 -0.04 0.04 -0.04 2.15 2.33 3ho7A1 GLN 236 HB3 0.26 -0.03 -0.03 -0.04 2.02 2.18 3ho7A1 GLN 236 HG2 0.08 0.02 -0.16 -0.04 2.40 2.30 3ho7A1 GLN 236 HG3 0.07 0.07 -0.26 -0.04 2.39 2.22 3ho7A1 GLN 236 HE21 0.04 -0.06 -0.02 -0.04 6.97 6.88 3ho7A1 GLN 236 HE22 0.04 0.10 -0.04 -0.04 7.69 7.75 3ho7A1 GLY 237 H 0.05 0.12 0.09 -0.55 8.43 8.15 3ho7A1 GLY 237 HA2 -0.08 0.03 0.44 -0.51 4.01 3.90 3ho7A1 GLY 237 HA3 0.04 0.08 0.44 -0.51 4.01 4.06 3ho7A1 ILE 238 H -0.22 0.57 0.46 -0.55 8.25 8.51 3ho7A1 ILE 238 HA -0.04 0.29 1.01 -0.75 4.18 4.68 3ho7A1 ILE 238 HB -0.26 -0.00 0.08 -0.04 1.89 1.66 3ho7A1 ILE 238 HG12 -0.08 0.04 0.11 -0.04 1.49 1.51 3ho7A1 ILE 238 HG13 -0.10 -0.07 -0.35 -0.04 1.21 0.66 3ho7A1 ILE 238 HG23 -0.41 -0.01 -0.11 -0.04 0.93 0.37 3ho7A1 ILE 238 HD13 -0.10 -0.03 -0.06 -0.04 0.88 0.64 3ho7A1 THR 239 H -0.12 0.63 0.40 -0.55 8.28 8.65 3ho7A1 THR 239 HA -0.46 0.16 0.68 -0.75 4.39 4.02 3ho7A1 THR 239 HB 0.12 0.05 -0.16 -0.04 4.32 4.29 3ho7A1 THR 239 HG23 0.23 0.00 -0.30 -0.04 1.22 1.11 3ho7A1 PHE 240 H -0.09 0.15 0.20 -0.55 8.34 8.04 3ho7A1 PHE 240 HA 0.10 0.41 1.13 -0.75 4.62 5.51 3ho7A1 PHE 240 HB2 -0.41 -0.11 0.09 -0.04 3.15 2.68 3ho7A1 PHE 240 HB3 0.16 0.02 -0.04 -0.04 3.06 3.16 3ho7A1 PHE 240 HD2 -0.32 0.04 -0.17 -0.04 7.28 6.79 3ho7A1 PHE 240 HE2 -0.62 -0.00 -0.12 -0.04 7.38 6.60 3ho7A1 PHE 240 HZ -1.17 0.02 -0.14 -0.04 7.32 5.98 3ho7A1 ILE 241 H 0.29 0.71 0.27 -0.55 8.25 8.97 3ho7A1 ILE 241 HA 0.15 0.15 1.01 -0.75 4.18 4.73 3ho7A1 ILE 241 HB -0.14 0.03 0.01 -0.04 1.89 1.75 3ho7A1 ILE 241 HG12 0.08 0.09 -0.15 -0.04 1.49 1.46 3ho7A1 ILE 241 HG13 0.03 -0.04 -0.25 -0.04 1.21 0.90 3ho7A1 ILE 241 HG23 -0.24 -0.01 -0.23 -0.04 0.93 0.41 3ho7A1 ILE 241 HD13 -0.24 0.01 -0.18 -0.04 0.88 0.42 3ho7A1 PRO 242 HA -0.16 0.23 0.57 -0.51 4.44 4.57 3ho7A1 PRO 242 HB2 -0.42 -0.10 -0.01 -0.04 2.28 1.71 3ho7A1 PRO 242 HB3 -0.25 0.07 0.08 -0.04 2.02 1.89 3ho7A1 PRO 242 HG2 -1.00 0.05 0.08 -0.04 2.03 1.13 3ho7A1 PRO 242 HG3 -0.16 0.05 0.11 -0.04 2.03 1.99 3ho7A1 PRO 242 HD2 -0.42 0.08 0.17 -0.04 3.68 3.47 3ho7A1 PRO 242 HD3 -0.09 0.12 0.28 -0.04 3.65 3.93 3ho7A1 GLN 243 H -0.11 0.38 0.23 -0.55 8.47 8.42 3ho7A1 GLN 243 HA -0.03 0.10 0.35 -0.75 4.36 4.02 3ho7A1 GLN 243 HB2 -0.02 0.08 0.19 -0.04 2.15 2.36 3ho7A1 GLN 243 HB3 -0.04 -0.09 0.23 -0.04 2.02 2.07 3ho7A1 GLN 243 HG2 -0.01 0.01 0.02 -0.04 2.40 2.38 3ho7A1 GLN 243 HG3 -0.03 0.02 -0.27 -0.04 2.39 2.07 3ho7A1 GLN 243 HE21 -0.01 0.04 0.01 -0.04 6.97 6.97 3ho7A1 GLN 243 HE22 -0.02 0.01 -0.05 -0.04 7.69 7.59 3ho7A1 LEU 244 H -0.11 0.07 -0.20 -0.55 8.37 7.58 3ho7A1 LEU 244 HA -0.05 0.10 0.32 -0.75 4.35 3.96 3ho7A1 LEU 244 HB2 -0.05 -0.06 -0.04 -0.04 1.64 1.44 3ho7A1 LEU 244 HB3 0.01 0.14 -0.01 -0.04 1.64 1.74 3ho7A1 LEU 244 HG -0.00 -0.09 0.01 -0.04 1.64 1.52 3ho7A1 LEU 244 HD13 -0.06 0.02 -0.11 -0.04 0.93 0.73 3ho7A1 LEU 244 HD23 -0.14 0.03 -0.00 -0.04 0.89 0.74 3ho7A1 THR 245 H -0.22 0.46 -0.55 -0.55 8.28 7.43 3ho7A1 THR 245 HA 0.11 0.13 0.49 -0.75 4.39 4.36 3ho7A1 THR 245 HB -0.20 0.15 -0.02 -0.04 4.32 4.21 3ho7A1 THR 245 HG23 0.11 -0.01 -0.07 -0.04 1.22 1.21 3ho7A1 VAL 246 H -0.04 0.51 -0.15 -0.55 8.24 8.00 3ho7A1 VAL 246 HA 0.01 0.03 0.27 -0.75 4.13 3.68 3ho7A1 VAL 246 HB -0.00 0.03 0.11 -0.04 2.12 2.22 3ho7A1 VAL 246 HG13 0.03 0.00 -0.08 -0.04 0.97 0.88 3ho7A1 VAL 246 HG23 0.00 0.02 0.05 -0.04 0.95 0.98 3ho7A1 GLU 247 H -0.01 0.19 -0.18 -0.55 8.60 8.06 3ho7A1 GLU 247 HA 0.00 0.09 0.40 -0.75 4.29 4.03 3ho7A1 GLU 247 HB2 -0.01 0.03 -0.01 -0.04 2.09 2.06 3ho7A1 GLU 247 HB3 -0.01 -0.03 0.09 -0.04 1.99 2.00 3ho7A1 GLU 247 HG2 -0.01 0.18 0.01 -0.04 2.34 2.48 3ho7A1 GLU 247 HG3 -0.03 0.01 0.03 -0.04 2.34 2.31 3ho7A1 GLN 248 H 0.02 0.25 -0.62 -0.55 8.47 7.56 3ho7A1 GLN 248 HA 0.01 0.09 0.64 -0.75 4.36 4.34 3ho7A1 GLN 248 HB2 0.06 0.16 0.07 -0.04 2.15 2.40 3ho7A1 GLN 248 HB3 0.02 -0.10 0.07 -0.04 2.02 1.97 3ho7A1 GLN 248 HG2 -0.00 -0.01 -0.01 -0.04 2.40 2.34 3ho7A1 GLN 248 HG3 0.03 0.02 -0.01 -0.04 2.39 2.39 3ho7A1 GLN 248 HE21 -0.07 0.31 0.08 -0.04 6.97 7.25 3ho7A1 GLN 248 HE22 -0.04 -0.02 0.04 -0.04 7.69 7.63 3ho7A1 LEU 249 H 0.02 0.43 -0.28 -0.55 8.37 8.00 3ho7A1 LEU 249 HA 0.04 -0.05 0.44 -0.75 4.35 4.03 3ho7A1 LEU 249 HB2 0.05 0.18 0.08 -0.04 1.64 1.91 3ho7A1 LEU 249 HB3 0.09 -0.15 -0.02 -0.04 1.64 1.52 3ho7A1 LEU 249 HG 0.02 0.24 -0.00 -0.04 1.64 1.85 3ho7A1 LEU 249 HD13 0.08 -0.01 -0.14 -0.04 0.93 0.81 3ho7A1 LEU 249 HD23 0.00 -0.04 -0.14 -0.04 0.89 0.67 3ho7A1 SER 250 H 0.06 0.01 0.17 -0.55 8.46 8.15 3ho7A1 SER 250 HA 0.03 0.25 0.65 -0.75 4.49 4.66 3ho7A1 SER 250 HB2 0.03 0.03 0.17 -0.04 3.95 4.14 3ho7A1 SER 250 HB3 0.03 0.10 0.14 -0.04 3.93 4.16 3ho7A1 PRO 251 HA 0.03 0.14 0.43 -0.51 4.44 4.52 3ho7A1 PRO 251 HB2 0.02 -0.02 0.07 -0.04 2.28 2.32 3ho7A1 PRO 251 HB3 0.02 0.07 0.08 -0.04 2.02 2.16 3ho7A1 PRO 251 HG2 0.02 0.04 0.11 -0.04 2.03 2.15 3ho7A1 PRO 251 HG3 0.02 0.10 0.11 -0.04 2.03 2.21 3ho7A1 PRO 251 HD2 0.02 0.06 0.24 -0.04 3.68 3.96 3ho7A1 PRO 251 HD3 0.02 0.24 0.21 -0.04 3.65 4.08 3ho7A1 SER 252 H 0.03 0.09 -0.19 -0.55 8.46 7.85 3ho7A1 SER 252 HA 0.04 0.13 0.38 -0.75 4.49 4.29 3ho7A1 SER 252 HB2 0.02 -0.00 0.07 -0.04 3.95 4.01 3ho7A1 SER 252 HB3 0.03 -0.05 0.03 -0.04 3.93 3.91 3ho7A1 GLN 253 H 0.07 0.00 -0.24 -0.55 8.47 7.75 3ho7A1 GLN 253 HA 0.11 0.10 0.44 -0.75 4.36 4.26 3ho7A1 GLN 253 HB2 0.11 0.03 0.13 -0.04 2.15 2.39 3ho7A1 GLN 253 HB3 0.26 0.04 -0.03 -0.04 2.02 2.24 3ho7A1 GLN 253 HG2 0.18 0.06 0.01 -0.04 2.40 2.60 3ho7A1 GLN 253 HG3 0.09 -0.07 0.05 -0.04 2.39 2.42 3ho7A1 GLN 253 HE21 0.06 0.02 -0.03 -0.04 6.97 6.98 3ho7A1 GLN 253 HE22 0.12 0.02 -0.04 -0.04 7.69 7.75 3ho7A1 LYS 254 H 0.08 0.57 -0.21 -0.55 8.42 8.31 3ho7A1 LYS 254 HA 0.12 -0.01 0.32 -0.75 4.32 4.01 3ho7A1 LYS 254 HB2 0.05 0.10 0.08 -0.04 1.87 2.06 3ho7A1 LYS 254 HB3 0.05 -0.02 -0.01 -0.04 1.79 1.77 3ho7A1 LYS 254 HG2 0.06 -0.05 -0.01 -0.04 1.46 1.41 3ho7A1 LYS 254 HG3 0.06 0.07 -0.18 -0.04 1.46 1.37 3ho7A1 LYS 254 HD2 0.03 -0.05 -0.12 -0.04 1.69 1.50 3ho7A1 LYS 254 HD3 0.03 -0.06 -0.06 -0.04 1.68 1.55 3ho7A1 LYS 254 HE2 0.02 -0.03 -0.12 -0.04 2.99 2.83 3ho7A1 LYS 254 HE3 0.03 0.26 -0.07 -0.04 2.99 3.16 3ho7A1 GLU 255 H 0.07 0.25 -0.45 -0.55 8.60 7.92 3ho7A1 GLU 255 HA 0.03 0.04 0.39 -0.75 4.29 4.00 3ho7A1 GLU 255 HB2 0.09 0.21 0.09 -0.04 2.09 2.45 3ho7A1 GLU 255 HB3 0.16 -0.02 0.04 -0.04 1.99 2.13 3ho7A1 GLU 255 HG2 0.05 -0.04 0.04 -0.04 2.34 2.35 3ho7A1 GLU 255 HG3 0.05 0.15 0.09 -0.04 2.34 2.59 3ho7A1 LEU 256 H 0.05 0.40 -0.43 -0.55 8.37 7.84 3ho7A1 LEU 256 HA 0.18 0.18 0.51 -0.75 4.35 4.47 3ho7A1 LEU 256 HB2 -0.59 0.01 -0.01 -0.04 1.64 1.01 3ho7A1 LEU 256 HB3 -0.39 -0.02 -0.01 -0.04 1.64 1.18 3ho7A1 LEU 256 HG -0.07 0.10 0.09 -0.04 1.64 1.72 3ho7A1 LEU 256 HD13 -0.36 -0.04 -0.14 -0.04 0.93 0.35 3ho7A1 LEU 256 HD23 0.04 0.00 -0.09 -0.04 0.89 0.81 3ho7A1 VAL 257 H 0.07 0.41 -0.34 -0.55 8.24 7.83 3ho7A1 VAL 257 HA 0.17 0.16 0.54 -0.75 4.13 4.26 3ho7A1 VAL 257 HB 0.08 0.17 0.17 -0.04 2.12 2.49 3ho7A1 VAL 257 HG13 0.09 -0.04 -0.19 -0.04 0.97 0.79 3ho7A1 VAL 257 HG23 0.22 -0.03 -0.02 -0.04 0.95 1.08 3ho7A1 ARG 258 H 0.06 0.62 0.27 -0.55 8.46 8.86 3ho7A1 ARG 258 HA -0.03 0.28 0.80 -0.75 4.34 4.64 3ho7A1 ARG 258 HB2 -0.07 -0.22 0.03 -0.04 1.90 1.60 3ho7A1 ARG 258 HB3 -0.08 -0.03 -0.17 -0.04 1.80 1.48 3ho7A1 ARG 258 HG2 -0.10 0.06 -0.53 -0.04 1.67 1.07 3ho7A1 ARG 258 HG3 -0.11 -0.08 -0.22 -0.04 1.67 1.22 3ho7A1 ARG 258 HD2 -0.13 -0.08 -0.22 -0.04 3.22 2.75 3ho7A1 ARG 258 HD3 -0.13 0.12 0.04 -0.04 3.22 3.21 3ho7A1 PRO 259 HA 0.14 -0.00 0.70 -0.51 4.44 4.76 3ho7A1 PRO 259 HB2 0.09 0.13 0.08 -0.04 2.28 2.53 3ho7A1 PRO 259 HB3 0.08 -0.02 0.13 -0.04 2.02 2.17 3ho7A1 PRO 259 HG2 0.02 0.04 0.04 -0.04 2.03 2.10 3ho7A1 PRO 259 HG3 0.03 0.01 0.07 -0.04 2.03 2.09 3ho7A1 PRO 259 HD2 -0.01 0.33 0.28 -0.04 3.68 4.23 3ho7A1 PRO 259 HD3 0.02 0.13 0.04 -0.04 3.65 3.80 3ho7A1 PHE 260 H 0.38 0.14 0.26 -0.55 8.34 8.56 3ho7A1 PHE 260 HA 0.05 -0.01 0.73 -0.75 4.62 4.63 3ho7A1 PHE 260 HB2 0.03 -0.05 0.24 -0.04 3.15 3.34 3ho7A1 PHE 260 HB3 0.03 0.28 0.14 -0.04 3.06 3.47 3ho7A1 PHE 260 HD2 0.05 0.09 0.12 -0.04 7.28 7.50 3ho7A1 PHE 260 HE2 -0.04 -0.06 -0.19 -0.04 7.38 7.05 3ho7A1 PHE 260 HZ -1.59 -0.05 -0.10 -0.04 7.32 5.54 3ho7A1 GLY 261 H 0.12 0.15 0.18 -0.55 8.43 8.33 3ho7A1 GLY 261 HA2 0.06 0.06 0.63 -0.51 4.01 4.25 3ho7A1 GLY 261 HA3 0.07 0.01 0.30 -0.51 4.01 3.88 3ho7A1 MET 262 H 0.04 0.05 0.10 -0.55 8.47 8.12 3ho7A1 MET 262 HA 0.05 0.02 0.33 -0.75 4.52 4.17 3ho7A1 MET 262 HB2 0.02 -0.04 0.12 -0.04 2.15 2.20 3ho7A1 MET 262 HB3 0.02 -0.02 0.07 -0.04 2.03 2.05 3ho7A1 MET 262 HG2 0.03 0.14 0.12 -0.04 2.63 2.89 3ho7A1 MET 262 HG3 0.03 -0.01 0.09 -0.04 2.56 2.62 3ho7A1 MET 262 HE3 0.01 0.02 0.04 -0.04 2.10 2.13 3ho7A1 PRO 263 HA 0.02 0.15 0.38 -0.51 4.44 4.48 3ho7A1 PRO 263 HB2 0.03 0.02 -0.20 -0.04 2.28 2.08 3ho7A1 PRO 263 HB3 -0.02 -0.03 -0.06 -0.04 2.02 1.87 3ho7A1 PRO 263 HG2 -0.06 0.02 0.03 -0.04 2.03 1.99 3ho7A1 PRO 263 HG3 -0.13 -0.01 0.03 -0.04 2.03 1.88 3ho7A1 PRO 263 HD2 -0.01 0.09 0.22 -0.04 3.68 3.93 3ho7A1 PRO 263 HD3 -0.03 0.05 0.22 -0.04 3.65 3.84 3ho7A1 ARG 264 H 0.03 0.66 0.41 -0.55 8.46 9.01 3ho7A1 ARG 264 HA 0.04 0.24 0.73 -0.75 4.34 4.58 3ho7A1 ARG 264 HB2 0.03 -0.08 0.14 -0.04 1.90 1.94 3ho7A1 ARG 264 HB3 0.06 0.02 0.09 -0.04 1.80 1.93 3ho7A1 ARG 264 HG2 0.13 0.19 -0.26 -0.04 1.67 1.69 3ho7A1 ARG 264 HG3 0.06 -0.02 -0.05 -0.04 1.67 1.62 3ho7A1 ARG 264 HD2 0.05 -0.06 -0.03 -0.04 3.22 3.14 3ho7A1 ARG 264 HD3 0.09 -0.06 0.04 -0.04 3.22 3.25 3ho7A1 PRO 265 HA -0.02 0.21 0.61 -0.51 4.44 4.73 3ho7A1 PRO 265 HB2 -0.06 -0.05 0.06 -0.04 2.28 2.19 3ho7A1 PRO 265 HB3 -0.30 0.02 0.15 -0.04 2.02 1.86 3ho7A1 PRO 265 HG2 -0.69 0.05 0.24 -0.04 2.03 1.59 3ho7A1 PRO 265 HG3 -1.98 0.01 0.13 -0.04 2.03 0.15 3ho7A1 PRO 265 HD2 -0.29 0.06 0.35 -0.04 3.68 3.77 3ho7A1 PRO 265 HD3 -0.45 0.27 0.32 -0.04 3.65 3.75 3ho7A1 VAL 266 H 0.03 0.43 0.48 -0.55 8.24 8.63 3ho7A1 VAL 266 HA -0.07 0.17 0.97 -0.75 4.13 4.44 3ho7A1 VAL 266 HB 0.02 -0.06 -0.15 -0.04 2.12 1.89 3ho7A1 VAL 266 HG13 -0.03 0.05 -0.26 -0.04 0.97 0.69 3ho7A1 VAL 266 HG23 -0.03 0.00 -0.37 -0.04 0.95 0.51 3ho7A1 ARG 267 H -0.25 0.71 0.37 -0.55 8.46 8.74 3ho7A1 ARG 267 HA 0.08 0.20 0.99 -0.75 4.34 4.85 3ho7A1 ARG 267 HB2 0.02 0.10 0.17 -0.04 1.90 2.14 3ho7A1 ARG 267 HB3 -0.11 -0.01 0.09 -0.04 1.80 1.74 3ho7A1 ARG 267 HG2 -0.40 0.08 0.07 -0.04 1.67 1.37 3ho7A1 ARG 267 HG3 -0.18 -0.03 -0.37 -0.04 1.67 1.04 3ho7A1 ARG 267 HD2 -0.07 -0.01 -0.01 -0.04 3.22 3.09 3ho7A1 ARG 267 HD3 -0.20 0.04 0.01 -0.04 3.22 3.03 3ho7A1 GLU 268 H -0.01 0.23 0.08 -0.55 8.60 8.36 3ho7A1 GLU 268 HA -0.23 0.24 1.02 -0.75 4.29 4.57 3ho7A1 GLU 268 HB2 -0.30 0.04 -0.11 -0.04 2.09 1.67 3ho7A1 GLU 268 HB3 -0.01 0.01 -0.08 -0.04 1.99 1.86 3ho7A1 GLU 268 HG2 0.00 0.03 0.03 -0.04 2.34 2.37 3ho7A1 GLU 268 HG3 -0.08 -0.07 -0.20 -0.04 2.34 1.96 3ho7A1 VAL 269 H -0.51 0.82 0.33 -0.55 8.24 8.33 3ho7A1 VAL 269 HA -0.27 0.23 0.99 -0.75 4.13 4.33 3ho7A1 VAL 269 HB -1.62 0.03 0.15 -0.04 2.12 0.64 3ho7A1 VAL 269 HG13 -0.22 -0.01 -0.12 -0.04 0.97 0.57 3ho7A1 VAL 269 HG23 -0.42 -0.01 -0.12 -0.04 0.95 0.36 3ho7A1 ARG 270 H -0.15 0.69 0.39 -0.55 8.46 8.83 3ho7A1 ARG 270 HA -0.13 0.19 1.04 -0.75 4.34 4.69 3ho7A1 ARG 270 HB2 -0.08 -0.01 -0.13 -0.04 1.90 1.63 3ho7A1 ARG 270 HB3 -0.07 0.02 -0.15 -0.04 1.80 1.55 3ho7A1 ARG 270 HG2 -0.16 0.01 -0.44 -0.04 1.67 1.04 3ho7A1 ARG 270 HG3 -0.15 0.04 -0.69 -0.04 1.67 0.83 3ho7A1 ARG 270 HD2 -0.07 -0.01 -0.33 -0.04 3.22 2.77 3ho7A1 ARG 270 HD3 -0.05 0.04 -0.59 -0.04 3.22 2.59 3ho7A1 LEU 271 H -0.05 0.58 0.29 -0.55 8.37 8.64 3ho7A1 LEU 271 HA -0.02 0.22 1.10 -0.75 4.35 4.89 3ho7A1 LEU 271 HB2 0.01 0.02 0.01 -0.04 1.64 1.65 3ho7A1 LEU 271 HB3 -0.01 -0.02 0.14 -0.04 1.64 1.70 3ho7A1 LEU 271 HG 0.04 -0.02 -0.10 -0.04 1.64 1.52 3ho7A1 LEU 271 HD13 0.03 0.00 -0.13 -0.04 0.93 0.78 3ho7A1 LEU 271 HD23 -0.04 0.00 -0.15 -0.04 0.89 0.66 3ho7A1 ALA 272 H -0.04 0.99 0.45 -0.55 8.40 9.25 3ho7A1 ALA 272 HA -0.04 0.25 1.14 -0.75 4.34 4.93 3ho7A1 ALA 272 HB3 -0.03 -0.03 0.03 -0.04 1.41 1.33 3ho7A1 VAL 273 H -0.05 0.68 0.44 -0.55 8.24 8.77 3ho7A1 VAL 273 HA -0.14 0.14 0.55 -0.75 4.13 3.93 3ho7A1 VAL 273 HB -0.35 0.01 0.31 -0.04 2.12 2.05 3ho7A1 VAL 273 HG13 -0.24 -0.02 -0.16 -0.04 0.97 0.51 3ho7A1 VAL 273 HG23 -0.01 0.06 -0.17 -0.04 0.95 0.78 3ho7A1 ARG 274 H -0.07 0.22 0.21 -0.55 8.46 8.27 3ho7A1 ARG 274 HA 0.01 0.23 0.94 -0.75 4.34 4.76 3ho7A1 ARG 274 HB2 0.06 -0.02 0.16 -0.04 1.90 2.05 3ho7A1 ARG 274 HB3 0.04 -0.13 0.11 -0.04 1.80 1.78 3ho7A1 ARG 274 HG2 0.01 0.04 -0.02 -0.04 1.67 1.66 3ho7A1 ARG 274 HG3 -0.00 -0.05 -0.17 -0.04 1.67 1.40 3ho7A1 ARG 274 HD2 0.01 0.21 0.21 -0.04 3.22 3.62 3ho7A1 ARG 274 HD3 0.03 -0.03 0.08 -0.04 3.22 3.27 3ho7A1 GLN 275 H 0.02 0.52 0.09 -0.55 8.47 8.56 3ho7A1 GLN 275 HA 0.03 0.07 0.27 -0.75 4.36 3.98 3ho7A1 GLN 275 HB2 0.02 -0.00 0.06 -0.04 2.15 2.19 3ho7A1 GLN 275 HB3 0.02 0.02 -0.01 -0.04 2.02 2.01 3ho7A1 GLN 275 HG2 0.02 0.04 -0.22 -0.04 2.40 2.20 3ho7A1 GLN 275 HG3 0.02 -0.04 -0.47 -0.04 2.39 1.86 3ho7A1 GLN 275 HE21 0.01 -0.01 0.00 -0.04 6.97 6.94 3ho7A1 GLN 275 HE22 0.02 0.03 -0.02 -0.04 7.69 7.67 3ho7A1 ASP 276 H 0.05 0.10 -0.22 -0.55 8.40 7.77 3ho7A1 ASP 276 HA 0.03 0.18 0.42 -0.75 4.63 4.50 3ho7A1 ASP 276 HB2 0.02 0.01 0.13 -0.04 2.71 2.83 3ho7A1 ASP 276 HB3 0.02 -0.01 0.03 -0.04 2.70 2.70 3ho7A1 TYR 277 H 0.16 0.39 -0.66 -0.55 8.29 7.64 3ho7A1 TYR 277 HA -0.01 -0.01 0.35 -0.75 4.56 4.14 3ho7A1 TYR 277 HB2 -0.01 0.03 0.17 -0.04 3.06 3.21 3ho7A1 TYR 277 HB3 -0.01 0.03 0.11 -0.04 2.98 3.08 3ho7A1 TYR 277 HD2 -0.01 0.02 -0.01 -0.04 7.15 7.11 3ho7A1 TYR 277 HE2 -0.02 0.00 0.00 -0.04 6.85 6.79 3ho7A1 SER 278 H -0.26 0.14 0.21 -0.55 8.46 8.00 3ho7A1 SER 278 HA -0.14 0.15 0.44 -0.75 4.49 4.19 3ho7A1 SER 278 HB2 -0.08 0.14 0.17 -0.04 3.95 4.13 3ho7A1 SER 278 HB3 -0.14 -0.01 0.18 -0.04 3.93 3.92 3ho7A1 ARG 279 H -0.83 0.22 -0.58 -0.55 8.46 6.72 3ho7A1 ARG 279 HA -0.20 0.23 0.86 -0.75 4.34 4.47 3ho7A1 ARG 279 HB2 -0.71 0.02 0.10 -0.04 1.90 1.27 3ho7A1 ARG 279 HB3 -0.15 -0.09 0.18 -0.04 1.80 1.70 3ho7A1 ARG 279 HG2 -0.20 0.12 -0.01 -0.04 1.67 1.55 3ho7A1 ARG 279 HG3 -0.45 -0.07 -0.28 -0.04 1.67 0.84 3ho7A1 ARG 279 HD2 -0.03 -0.03 0.00 -0.04 3.22 3.12 3ho7A1 ARG 279 HD3 -0.07 0.04 0.02 -0.04 3.22 3.17 3ho7A1 ARG 280 H -0.10 0.27 -0.12 -0.55 8.46 7.97 3ho7A1 ARG 280 HA 0.03 0.09 0.31 -0.75 4.34 4.02 3ho7A1 ARG 280 HB2 -0.03 0.01 0.09 -0.04 1.90 1.93 3ho7A1 ARG 280 HB3 -0.00 0.03 -0.04 -0.04 1.80 1.74 3ho7A1 ARG 280 HG2 0.02 0.01 0.03 -0.04 1.67 1.68 3ho7A1 ARG 280 HG3 0.01 0.09 0.04 -0.04 1.67 1.77 3ho7A1 ARG 280 HD2 -0.02 0.05 0.01 -0.04 3.22 3.21 3ho7A1 ARG 280 HD3 -0.01 -0.02 0.00 -0.04 3.22 3.15 3ho7A1 LYS 281 H -0.03 0.10 -0.25 -0.55 8.42 7.69 3ho7A1 LYS 281 HA 0.00 0.12 0.46 -0.75 4.32 4.15 3ho7A1 LYS 281 HB2 -0.02 0.01 0.04 -0.04 1.87 1.86 3ho7A1 LYS 281 HB3 -0.01 0.08 0.01 -0.04 1.79 1.83 3ho7A1 LYS 281 HG2 -0.01 0.03 -0.02 -0.04 1.46 1.42 3ho7A1 LYS 281 HG3 -0.02 -0.08 0.02 -0.04 1.46 1.34 3ho7A1 LYS 281 HD2 -0.02 0.01 -0.00 -0.04 1.69 1.64 3ho7A1 LYS 281 HD3 -0.02 0.03 0.00 -0.04 1.68 1.66 3ho7A1 LYS 281 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.95 3ho7A1 LYS 281 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.93 3ho7A1 LEU 282 H -0.01 0.10 -0.16 -0.55 8.37 7.75 3ho7A1 LEU 282 HA 0.01 0.12 0.48 -0.75 4.35 4.21 3ho7A1 LEU 282 HB2 -0.01 0.04 0.07 -0.04 1.64 1.70 3ho7A1 LEU 282 HB3 0.04 0.06 0.11 -0.04 1.64 1.81 3ho7A1 LEU 282 HG 0.03 -0.05 -0.26 -0.04 1.64 1.33 3ho7A1 LEU 282 HD13 -0.04 0.01 -0.06 -0.04 0.93 0.81 3ho7A1 LEU 282 HD23 0.03 0.01 -0.08 -0.04 0.89 0.80 3ho7A1 ARG 283 H 0.11 0.65 -0.04 -0.55 8.46 8.63 3ho7A1 ARG 283 HA 0.10 -0.00 0.34 -0.75 4.34 4.02 3ho7A1 ARG 283 HB2 0.32 0.02 0.01 -0.04 1.90 2.20 3ho7A1 ARG 283 HB3 0.11 0.08 0.08 -0.04 1.80 2.03 3ho7A1 ARG 283 HG2 0.06 0.00 -0.25 -0.04 1.67 1.44 3ho7A1 ARG 283 HG3 0.05 -0.03 -0.06 -0.04 1.67 1.59 3ho7A1 ARG 283 HD2 0.21 0.01 -0.08 -0.04 3.22 3.32 3ho7A1 ARG 283 HD3 0.11 0.01 -0.06 -0.04 3.22 3.23 3ho7A1 GLU 284 H 0.04 0.51 -0.31 -0.55 8.60 8.30 3ho7A1 GLU 284 HA 0.03 -0.01 0.38 -0.75 4.29 3.94 3ho7A1 GLU 284 HB2 0.02 0.04 0.13 -0.04 2.09 2.24 3ho7A1 GLU 284 HB3 0.02 0.12 0.16 -0.04 1.99 2.25 3ho7A1 GLU 284 HG2 0.02 0.02 -0.19 -0.04 2.34 2.15 3ho7A1 GLU 284 HG3 0.01 -0.04 0.04 -0.04 2.34 2.30 3ho7A1 GLN 285 H 0.03 0.44 -0.23 -0.55 8.47 8.16 3ho7A1 GLN 285 HA 0.04 0.01 0.44 -0.75 4.36 4.09 3ho7A1 GLN 285 HB2 0.02 0.06 0.14 -0.04 2.15 2.32 3ho7A1 GLN 285 HB3 0.02 0.05 0.16 -0.04 2.02 2.22 3ho7A1 GLN 285 HG2 0.05 -0.05 -0.18 -0.04 2.40 2.18 3ho7A1 GLN 285 HG3 0.04 -0.03 0.02 -0.04 2.39 2.37 3ho7A1 GLN 285 HE21 0.01 0.23 -0.01 -0.04 6.97 7.16 3ho7A1 GLN 285 HE22 0.04 -0.08 -0.09 -0.04 7.69 7.52 3ho7A1 LEU 286 H 0.04 0.81 -0.04 -0.55 8.37 8.63 3ho7A1 LEU 286 HA 0.13 -0.01 0.34 -0.75 4.35 4.05 3ho7A1 LEU 286 HB2 0.04 0.12 0.11 -0.04 1.64 1.87 3ho7A1 LEU 286 HB3 0.08 -0.05 -0.11 -0.04 1.64 1.52 3ho7A1 LEU 286 HG -0.03 -0.05 -0.12 -0.04 1.64 1.40 3ho7A1 LEU 286 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.80 3ho7A1 LEU 286 HD23 -0.07 0.02 -0.12 -0.04 0.89 0.69 3ho7A1 ILE 287 H 0.05 0.65 -0.12 -0.55 8.25 8.28 3ho7A1 ILE 287 HA 0.05 -0.05 0.33 -0.75 4.18 3.76 3ho7A1 ILE 287 HB 0.02 0.12 0.13 -0.04 1.89 2.12 3ho7A1 ILE 287 HG12 0.02 -0.09 0.00 -0.04 1.49 1.38 3ho7A1 ILE 287 HG13 0.03 0.26 0.06 -0.04 1.21 1.52 3ho7A1 ILE 287 HG23 -0.01 -0.01 -0.11 -0.04 0.93 0.77 3ho7A1 ILE 287 HD13 0.01 -0.03 -0.07 -0.04 0.88 0.76 3ho7A1 GLY 288 H 0.04 0.50 -0.21 -0.55 8.43 8.21 3ho7A1 GLY 288 HA2 0.00 -0.01 0.41 -0.51 4.01 3.90 3ho7A1 GLY 288 HA3 0.03 0.06 0.31 -0.51 4.01 3.90 3ho7A1 LEU 289 H 0.10 0.60 -0.10 -0.55 8.37 8.42 3ho7A1 LEU 289 HA 0.08 0.03 0.32 -0.75 4.35 4.03 3ho7A1 LEU 289 HB2 0.25 0.06 0.10 -0.04 1.64 2.00 3ho7A1 LEU 289 HB3 0.25 -0.06 -0.11 -0.04 1.64 1.68 3ho7A1 LEU 289 HG 0.11 0.09 -0.02 -0.04 1.64 1.78 3ho7A1 LEU 289 HD13 0.24 -0.02 -0.18 -0.04 0.93 0.93 3ho7A1 LEU 289 HD23 0.11 -0.01 -0.06 -0.04 0.89 0.89 3ho7A1 LEU 290 H 0.13 0.66 -0.09 -0.55 8.37 8.52 3ho7A1 LEU 290 HA 0.05 0.01 0.40 -0.75 4.35 4.06 3ho7A1 LEU 290 HB2 0.11 0.12 0.08 -0.04 1.64 1.91 3ho7A1 LEU 290 HB3 0.13 -0.08 -0.07 -0.04 1.64 1.58 3ho7A1 LEU 290 HG 0.28 0.08 -0.03 -0.04 1.64 1.93 3ho7A1 LEU 290 HD13 0.17 -0.03 -0.15 -0.04 0.93 0.87 3ho7A1 LEU 290 HD23 0.17 -0.02 -0.10 -0.04 0.89 0.90 3ho7A1 ARG 291 H 0.05 0.59 -0.08 -0.55 8.46 8.46 3ho7A1 ARG 291 HA 0.11 0.03 0.41 -0.75 4.34 4.14 3ho7A1 ARG 291 HB2 -0.09 0.06 0.15 -0.04 1.90 1.99 3ho7A1 ARG 291 HB3 -0.45 -0.05 0.09 -0.04 1.80 1.34 3ho7A1 ARG 291 HG2 -0.03 0.05 0.20 -0.04 1.67 1.85 3ho7A1 ARG 291 HG3 -0.01 0.23 0.19 -0.04 1.67 2.03 3ho7A1 ARG 291 HD2 -0.08 0.04 0.08 -0.04 3.22 3.22 3ho7A1 ARG 291 HD3 -0.12 -0.07 -0.03 -0.04 3.22 2.96 3ho7A1 SER 292 H 0.05 0.49 -0.28 -0.55 8.46 8.17 3ho7A1 SER 292 HA 0.10 0.03 0.48 -0.75 4.49 4.34 3ho7A1 SER 292 HB2 0.04 -0.11 0.12 -0.04 3.95 3.95 3ho7A1 SER 292 HB3 0.04 0.09 0.11 -0.04 3.93 4.13 3ho7A1 ALA 293 H 0.01 0.35 -0.77 -0.55 8.40 7.44 3ho7A1 ALA 293 HA -0.06 0.07 0.52 -0.75 4.34 4.11 3ho7A1 ALA 293 HB3 -0.10 0.02 0.03 -0.04 1.41 1.32 3ho7A1 VAL 294 H -0.03 0.43 -0.30 -0.55 8.24 7.79 3ho7A1 VAL 294 HA -0.15 0.17 0.90 -0.75 4.13 4.30 3ho7A1 VAL 294 HB -0.30 -0.06 0.07 -0.04 2.12 1.79 3ho7A1 VAL 294 HG13 -0.55 -0.02 -0.21 -0.04 0.97 0.16 3ho7A1 VAL 294 HG23 -0.22 0.03 -0.10 -0.04 0.95 0.62 3ho7A1 PRO 295 HA -0.12 0.05 0.47 -0.51 4.44 4.34 3ho7A1 PRO 295 HB2 -0.11 -0.09 0.07 -0.04 2.28 2.11 3ho7A1 PRO 295 HB3 -0.08 0.01 0.12 -0.04 2.02 2.03 3ho7A1 PRO 295 HG2 -0.08 0.02 0.09 -0.04 2.03 2.02 3ho7A1 PRO 295 HG3 -0.08 0.09 0.10 -0.04 2.03 2.10 3ho7A1 PRO 295 HD2 -0.15 0.06 0.20 -0.04 3.68 3.75 3ho7A1 PRO 295 HD3 -0.12 0.24 0.21 -0.04 3.65 3.94 3ho7A1 SER 296 H -0.16 0.14 0.22 -0.55 8.46 8.11 3ho7A1 SER 296 HA -1.13 0.21 0.35 -0.75 4.49 3.17 3ho7A1 SER 296 HB2 -0.02 0.01 0.07 -0.04 3.95 3.97 3ho7A1 SER 296 HB3 -0.06 0.09 0.15 -0.04 3.93 4.07 3ho7A1 ASP 297 H -0.12 0.06 -0.19 -0.55 8.40 7.61 3ho7A1 ASP 297 HA -0.03 0.05 0.39 -0.75 4.63 4.29 3ho7A1 ASP 297 HB2 -0.05 -0.02 0.02 -0.04 2.71 2.62 3ho7A1 ASP 297 HB3 -0.02 0.04 -0.03 -0.04 2.70 2.65 3ho7A1 MET 298 H -0.14 0.40 -0.42 -0.55 8.47 7.77 3ho7A1 MET 298 HA 0.07 0.05 0.43 -0.75 4.52 4.32 3ho7A1 MET 298 HB2 -0.05 0.19 0.02 -0.04 2.15 2.27 3ho7A1 MET 298 HB3 0.13 0.09 0.16 -0.04 2.03 2.37 3ho7A1 MET 298 HG2 -0.00 -0.07 0.00 -0.04 2.63 2.52 3ho7A1 MET 298 HG3 -0.08 -0.03 0.03 -0.04 2.56 2.44 3ho7A1 MET 298 HE3 0.05 -0.03 0.08 -0.04 2.10 2.16 3ho7A1 HIS 299 H -0.09 0.60 -0.29 -0.55 8.41 8.08 3ho7A1 HIS 299 HA 0.10 0.07 0.43 -0.75 4.63 4.48 3ho7A1 HIS 299 HB2 0.05 0.09 0.11 -0.04 3.26 3.48 3ho7A1 HIS 299 HB3 0.06 -0.09 0.08 -0.04 3.20 3.21 3ho7A1 HIS 299 HD2 0.07 0.01 0.01 -0.04 6.97 7.02 3ho7A1 HIS 299 HE1 0.01 -0.05 -0.05 -0.04 7.75 7.60 3ho7A1 LYS 300 H 0.16 0.39 -0.39 -0.55 8.42 8.02 3ho7A1 LYS 300 HA 0.26 0.10 0.85 -0.75 4.32 4.78 3ho7A1 LYS 300 HB2 0.08 0.02 -0.06 -0.04 1.87 1.87 3ho7A1 LYS 300 HB3 0.07 0.00 -0.04 -0.04 1.79 1.78 3ho7A1 LYS 300 HG2 0.12 0.04 -0.10 -0.04 1.46 1.48 3ho7A1 LYS 300 HG3 0.14 -0.03 -0.40 -0.04 1.46 1.13 3ho7A1 LYS 300 HD2 0.06 -0.01 -0.07 -0.04 1.69 1.63 3ho7A1 LYS 300 HD3 0.05 -0.02 -0.04 -0.04 1.68 1.63 3ho7A1 LYS 300 HE2 0.06 -0.00 -0.04 -0.04 2.99 2.96 3ho7A1 LYS 300 HE3 0.08 0.02 -0.07 -0.04 2.99 2.97 3ho7A1 LEU 301 H -0.05 0.09 0.07 -0.55 8.37 7.93 3ho7A1 LEU 301 HA -0.27 0.02 0.43 -0.75 4.35 3.77 3ho7A1 LEU 301 HB2 -0.73 -0.03 0.06 -0.04 1.64 0.89 3ho7A1 LEU 301 HB3 -0.20 -0.02 0.10 -0.04 1.64 1.48 3ho7A1 LEU 301 HG -0.15 0.09 -0.28 -0.04 1.64 1.26 3ho7A1 LEU 301 HD13 -0.35 -0.03 -0.25 -0.04 0.93 0.26 3ho7A1 LEU 301 HD23 -0.18 0.01 -0.03 -0.04 0.89 0.65 3ho7A1 GLN 302 H -0.06 0.11 0.17 -0.55 8.47 8.14 3ho7A1 GLN 302 HA -0.02 0.09 0.65 -0.75 4.36 4.33 3ho7A1 GLN 302 HB2 -0.01 -0.04 0.06 -0.04 2.15 2.11 3ho7A1 GLN 302 HB3 -0.01 0.02 0.03 -0.04 2.02 2.03 3ho7A1 GLN 302 HG2 0.01 0.22 0.07 -0.04 2.40 2.66 3ho7A1 GLN 302 HG3 0.00 -0.07 0.00 -0.04 2.39 2.29 3ho7A1 GLN 302 HE21 0.01 -0.12 0.01 -0.04 6.97 6.83 3ho7A1 GLN 302 HE22 0.02 0.66 0.20 -0.04 7.69 8.53 3ho7A1 THR 303 H -0.01 0.12 0.15 -0.55 8.28 7.99 3ho7A1 THR 303 HA -0.01 0.00 0.40 -0.75 4.39 4.03 3ho7A1 THR 303 HB -0.00 0.01 0.11 -0.04 4.32 4.40 3ho7A1 THR 303 HG23 -0.00 0.01 -0.03 -0.04 1.22 1.15 3ho7A1 GLY 304 H -0.00 0.13 0.21 -0.55 8.43 8.22 3ho7A1 GLY 304 HA2 0.01 -0.04 0.36 -0.51 4.01 3.83 3ho7A1 GLY 304 HA3 0.01 0.19 0.80 -0.51 4.01 4.50 3ho7A1 GLN 305 H -0.01 0.36 0.08 -0.55 8.47 8.36 3ho7A1 GLN 305 HA 0.01 0.14 0.97 -0.75 4.36 4.73 3ho7A1 GLN 305 HB2 -0.06 0.12 0.08 -0.04 2.15 2.25 3ho7A1 GLN 305 HB3 -0.06 -0.05 -0.08 -0.04 2.02 1.79 3ho7A1 GLN 305 HG2 -0.00 0.03 -0.09 -0.04 2.40 2.30 3ho7A1 GLN 305 HG3 -0.01 0.05 -0.24 -0.04 2.39 2.15 3ho7A1 GLN 305 HE21 0.01 -0.01 -0.05 -0.04 6.97 6.88 3ho7A1 GLN 305 HE22 0.01 0.03 -0.05 -0.04 7.69 7.63 3ho7A1 HIS 306 H 0.05 0.92 0.24 -0.55 8.41 9.07 3ho7A1 HIS 306 HA -0.06 0.10 0.81 -0.75 4.63 4.72 3ho7A1 HIS 306 HB2 -0.03 -0.01 -0.21 -0.04 3.26 2.97 3ho7A1 HIS 306 HB3 -0.03 0.03 -0.16 -0.04 3.20 3.00 3ho7A1 HIS 306 HD2 -0.01 -0.07 -0.28 -0.04 6.97 6.57 3ho7A1 HIS 306 HE1 -0.03 -0.04 0.01 -0.04 7.75 7.65 3ho7A1 LEU 307 H -0.48 0.13 0.08 -0.55 8.37 7.55 3ho7A1 LEU 307 HA -0.07 0.14 0.58 -0.75 4.35 4.24 3ho7A1 LEU 307 HB2 -0.12 -0.04 0.07 -0.04 1.64 1.51 3ho7A1 LEU 307 HB3 -0.21 -0.02 0.11 -0.04 1.64 1.48 3ho7A1 LEU 307 HG 0.03 0.13 -0.19 -0.04 1.64 1.58 3ho7A1 LEU 307 HD13 0.14 0.07 -0.06 -0.04 0.93 1.04 3ho7A1 LEU 307 HD23 0.10 -0.03 -0.05 -0.04 0.89 0.88 3ho7A1 ALA 308 H 0.05 0.53 0.44 -0.55 8.40 8.87 3ho7A1 ALA 308 HA 0.09 0.01 0.46 -0.75 4.34 4.15 3ho7A1 ALA 308 HB3 0.09 -0.01 0.06 -0.04 1.41 1.52 3ho7A1 HIS 309 H 0.16 0.18 0.20 -0.55 8.41 8.42 3ho7A1 HIS 309 HA 0.04 0.20 0.75 -0.75 4.63 4.87 3ho7A1 HIS 309 HB2 0.01 0.04 -0.12 -0.04 3.26 3.15 3ho7A1 HIS 309 HB3 0.06 -0.01 0.10 -0.04 3.20 3.31 3ho7A1 HIS 309 HD2 0.02 -0.01 0.06 -0.04 6.97 7.00 3ho7A1 HIS 309 HE1 0.01 -0.04 0.01 -0.04 7.75 7.70