============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 -17.653 -22.938 2.146 -99.200 -91.000 PHE 8 1.000 -8.537 -8.331 0.628 -99.200 -91.000 HIS 9 0.900 -11.735 -13.714 -5.353 -99.200 -91.000 HIS 13 0.900 2.153 -5.919 -10.998 -99.200 -91.000 PHE 23 1.000 -2.460 -8.983 -0.809 -99.200 -91.000 TRP 27 1.040 4.152 -5.125 10.911 -99.200 -91.000 TRP6 27 1.020 4.757 -2.890 11.540 -99.200 -91.000 TYR 31 0.840 -1.976 6.758 -1.661 -99.200 -91.000 PHE 32 1.000 -7.454 2.044 1.381 -99.200 -91.000 PHE 34 1.000 -6.881 11.300 -7.745 -99.200 -91.000 HIS 36 0.900 0.976 9.408 -10.140 -99.200 -91.000 PHE 68 1.000 -2.116 3.993 -6.192 -99.200 -91.000 TYR 84 0.840 2.716 4.877 -10.251 -99.200 -91.000 PHE 88 1.000 7.157 6.501 -7.077 -99.200 -91.000 HIS 89 0.900 12.415 -1.668 -7.297 -99.200 -91.000 HIS 107 0.900 -20.178 -0.780 0.783 -99.200 -91.000 TYR 109 0.840 -9.205 -2.755 2.438 -99.200 -91.000 TYR 112 0.840 -16.676 10.810 4.207 -99.200 -91.000 TYR 113 0.840 -13.542 6.620 -1.824 -99.200 -91.000 TYR 124 0.840 -14.150 17.393 -7.352 -99.200 -91.000 HIS 128 0.900 -5.317 11.363 -2.070 -99.200 -91.000 TYR 133 0.840 -6.325 4.048 6.841 -99.200 -91.000 PHE 141 1.000 -7.788 -0.238 11.245 -99.200 -91.000 TYR 144 0.840 -6.182 6.083 11.934 -99.200 -91.000 TYR 145 0.840 2.190 6.597 9.642 -99.200 -91.000 HIS 161 0.900 2.608 2.539 15.810 -99.200 -91.000 PHE 165 1.000 1.895 -7.166 16.546 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rliA31 SER 97 H -0.08 0.16 0.12 -0.55 8.46 8.11 2rliA31 SER 97 HA -0.41 -0.11 0.19 -0.75 4.49 3.41 2rliA31 SER 97 HB2 -0.09 0.01 0.00 -0.04 3.95 3.84 2rliA31 SER 97 HB3 -0.16 -0.02 0.04 -0.04 3.93 3.76 2rliA31 PHE 98 H -0.60 0.05 0.08 -0.55 8.34 7.32 2rliA31 PHE 98 HA -0.01 0.08 0.40 -0.75 4.62 4.33 2rliA31 PHE 98 HB2 -0.01 -0.00 0.03 -0.04 3.15 3.13 2rliA31 PHE 98 HB3 -0.02 -0.00 0.06 -0.04 3.06 3.05 2rliA31 PHE 98 HD2 -0.01 0.02 -0.01 -0.04 7.28 7.24 2rliA31 PHE 98 HE2 -0.01 0.02 -0.01 -0.04 7.38 7.34 2rliA31 PHE 98 HZ -0.01 0.02 -0.00 -0.04 7.32 7.28 2rliA31 THR 99 H 0.15 0.25 0.22 -0.55 8.28 8.35 2rliA31 THR 99 HA 0.06 0.05 0.50 -0.75 4.39 4.24 2rliA31 THR 99 HB 0.04 0.01 -0.03 -0.04 4.32 4.30 2rliA31 THR 99 HG23 0.02 -0.01 -0.07 -0.04 1.22 1.12 2rliA31 GLY 100 H 0.03 0.19 0.09 -0.55 8.43 8.19 2rliA31 GLY 100 HA2 0.01 0.03 0.24 -0.51 4.01 3.77 2rliA31 GLY 100 HA3 0.01 0.07 0.38 -0.51 4.01 3.96 2rliA31 GLN 101 H 0.02 0.54 0.14 -0.55 8.47 8.62 2rliA31 GLN 101 HA 0.01 0.08 0.48 -0.75 4.36 4.18 2rliA31 GLN 101 HB2 0.02 -0.04 0.07 -0.04 2.15 2.16 2rliA31 GLN 101 HB3 0.01 -0.00 0.12 -0.04 2.02 2.11 2rliA31 GLN 101 HG2 0.01 0.08 -0.03 -0.04 2.40 2.42 2rliA31 GLN 101 HG3 0.01 0.00 0.13 -0.04 2.39 2.49 2rliA31 GLN 101 HE21 0.01 -0.00 0.02 -0.04 6.97 6.96 2rliA31 GLN 101 HE22 0.01 -0.01 0.01 -0.04 7.69 7.67 2rliA31 GLY 102 H -0.01 -0.06 -0.18 -0.55 8.43 7.64 2rliA31 GLY 102 HA2 -0.01 -0.06 0.30 -0.51 4.01 3.73 2rliA31 GLY 102 HA3 -0.00 0.21 0.42 -0.51 4.01 4.13 2rliA31 ASP 103 H -0.01 0.30 0.22 -0.55 8.40 8.36 2rliA31 ASP 103 HA -0.04 0.10 0.62 -0.75 4.63 4.55 2rliA31 ASP 103 HB2 -0.07 0.06 -0.40 -0.04 2.71 2.26 2rliA31 ASP 103 HB3 -0.10 0.03 -0.08 -0.04 2.70 2.52 2rliA31 PHE 104 H -0.34 0.00 0.25 -0.55 8.34 7.70 2rliA31 PHE 104 HA 0.02 0.22 0.82 -0.75 4.62 4.92 2rliA31 PHE 104 HB2 0.05 -0.05 0.08 -0.04 3.15 3.19 2rliA31 PHE 104 HB3 -0.07 0.13 -0.03 -0.04 3.06 3.05 2rliA31 PHE 104 HD2 0.03 -0.01 -0.09 -0.04 7.28 7.17 2rliA31 PHE 104 HE2 0.24 0.07 -0.22 -0.04 7.38 7.44 2rliA31 PHE 104 HZ 0.22 0.09 -0.29 -0.04 7.32 7.30 2rliA31 HIS 105 H 0.34 0.14 0.02 -0.55 8.41 8.37 2rliA31 HIS 105 HA 0.12 0.35 0.71 -0.75 4.63 5.07 2rliA31 HIS 105 HB2 0.02 0.03 -0.32 -0.04 3.26 2.95 2rliA31 HIS 105 HB3 0.05 -0.04 0.11 -0.04 3.20 3.28 2rliA31 HIS 105 HD2 -0.02 0.07 -0.06 -0.04 6.97 6.92 2rliA31 HIS 105 HE1 -0.00 -0.01 -0.02 -0.04 7.75 7.67 2rliA31 LEU 106 H 0.43 0.27 0.14 -0.55 8.37 8.66 2rliA31 LEU 106 HA 0.08 0.12 0.84 -0.75 4.35 4.64 2rliA31 LEU 106 HB2 0.16 -0.02 0.02 -0.04 1.64 1.76 2rliA31 LEU 106 HB3 0.09 0.06 0.03 -0.04 1.64 1.78 2rliA31 LEU 106 HG 0.07 -0.01 -0.20 -0.04 1.64 1.46 2rliA31 LEU 106 HD13 0.12 -0.01 -0.22 -0.04 0.93 0.78 2rliA31 LEU 106 HD23 0.02 0.01 -0.22 -0.04 0.89 0.67 2rliA31 LEU 107 H 0.07 0.64 0.35 -0.55 8.37 8.88 2rliA31 LEU 107 HA 0.04 0.25 1.04 -0.75 4.35 4.93 2rliA31 LEU 107 HB2 0.01 -0.09 -0.05 -0.04 1.64 1.47 2rliA31 LEU 107 HB3 -0.03 0.00 -0.33 -0.04 1.64 1.24 2rliA31 LEU 107 HG 0.02 0.04 0.04 -0.04 1.64 1.71 2rliA31 LEU 107 HD13 0.04 -0.02 -0.17 -0.04 0.93 0.74 2rliA31 LEU 107 HD23 0.00 -0.01 -0.08 -0.04 0.89 0.77 2rliA31 ASP 108 H 0.06 0.68 0.38 -0.55 8.40 8.97 2rliA31 ASP 108 HA 0.14 0.23 0.66 -0.75 4.63 4.91 2rliA31 ASP 108 HB2 0.07 0.08 0.22 -0.04 2.71 3.04 2rliA31 ASP 108 HB3 0.17 -0.16 -0.05 -0.04 2.70 2.62 2rliA31 HIS 109 H 0.26 0.36 0.27 -0.55 8.41 8.75 2rliA31 HIS 109 HA 0.02 -0.03 0.38 -0.75 4.63 4.24 2rliA31 HIS 109 HB2 0.01 0.02 0.18 -0.04 3.26 3.42 2rliA31 HIS 109 HB3 0.02 -0.06 0.21 -0.04 3.20 3.33 2rliA31 HIS 109 HD2 0.03 -0.17 0.03 -0.04 6.97 6.82 2rliA31 HIS 109 HE1 -0.00 0.10 -0.03 -0.04 7.75 7.78 2rliA31 ARG 110 H 0.06 -0.02 -0.74 -0.55 8.46 7.21 2rliA31 ARG 110 HA -0.12 0.19 0.77 -0.75 4.34 4.43 2rliA31 ARG 110 HB2 -0.20 0.00 -0.05 -0.04 1.90 1.61 2rliA31 ARG 110 HB3 -0.04 -0.00 -0.08 -0.04 1.80 1.63 2rliA31 ARG 110 HG2 -0.05 0.02 0.02 -0.04 1.67 1.61 2rliA31 ARG 110 HG3 -0.11 0.02 0.06 -0.04 1.67 1.60 2rliA31 ARG 110 HD2 -0.04 -0.00 -0.06 -0.04 3.22 3.08 2rliA31 ARG 110 HD3 -0.05 0.00 -0.02 -0.04 3.22 3.11 2rliA31 GLY 111 H 0.02 0.42 0.07 -0.55 8.43 8.40 2rliA31 GLY 111 HA2 0.01 -0.04 0.32 -0.51 4.01 3.79 2rliA31 GLY 111 HA3 -0.00 0.15 0.75 -0.51 4.01 4.39 2rliA31 ARG 112 H 0.01 0.11 0.21 -0.55 8.46 8.24 2rliA31 ARG 112 HA -0.02 0.09 0.50 -0.75 4.34 4.16 2rliA31 ARG 112 HB2 -0.01 0.17 -0.05 -0.04 1.90 1.97 2rliA31 ARG 112 HB3 -0.00 -0.09 -0.01 -0.04 1.80 1.65 2rliA31 ARG 112 HG2 -0.03 0.10 -0.19 -0.04 1.67 1.51 2rliA31 ARG 112 HG3 -0.02 -0.03 0.08 -0.04 1.67 1.66 2rliA31 ARG 112 HD2 -0.02 -0.03 -0.05 -0.04 3.22 3.08 2rliA31 ARG 112 HD3 -0.02 0.03 -0.02 -0.04 3.22 3.16 2rliA31 ALA 113 H -0.07 0.15 0.12 -0.55 8.40 8.06 2rliA31 ALA 113 HA -0.10 0.16 0.61 -0.75 4.34 4.26 2rliA31 ALA 113 HB3 -0.49 0.01 -0.01 -0.04 1.41 0.87 2rliA31 ARG 114 H -0.00 0.76 0.37 -0.55 8.46 9.03 2rliA31 ARG 114 HA -0.05 0.10 0.71 -0.75 4.34 4.35 2rliA31 ARG 114 HB2 0.13 0.01 -0.04 -0.04 1.90 1.96 2rliA31 ARG 114 HB3 -0.24 -0.01 0.02 -0.04 1.80 1.53 2rliA31 ARG 114 HG2 -0.25 0.02 0.01 -0.04 1.67 1.41 2rliA31 ARG 114 HG3 -0.13 0.01 -0.39 -0.04 1.67 1.12 2rliA31 ARG 114 HD2 -0.32 -0.04 -0.12 -0.04 3.22 2.70 2rliA31 ARG 114 HD3 -1.65 0.00 -0.10 -0.04 3.22 1.43 2rliA31 CYS 115 H -0.05 0.14 0.19 -0.55 8.50 8.23 2rliA31 CYS 115 HA -0.81 0.23 0.73 -0.75 4.58 3.97 2rliA31 CYS 115 HB2 -0.26 -0.07 0.19 -0.04 2.97 2.79 2rliA31 CYS 115 HB3 -0.03 0.16 -0.05 -0.04 2.97 3.00 2rliA31 LYS 116 H -0.76 0.14 0.21 -0.55 8.42 7.45 2rliA31 LYS 116 HA 0.05 0.11 0.36 -0.75 4.32 4.09 2rliA31 LYS 116 HB2 -0.12 -0.06 0.18 -0.04 1.87 1.83 2rliA31 LYS 116 HB3 0.01 0.13 -0.01 -0.04 1.79 1.89 2rliA31 LYS 116 HG2 0.17 0.09 0.08 -0.04 1.46 1.76 2rliA31 LYS 116 HG3 -0.20 -0.20 0.17 -0.04 1.46 1.19 2rliA31 LYS 116 HD2 -0.04 0.02 0.19 -0.04 1.69 1.82 2rliA31 LYS 116 HD3 0.03 0.06 0.07 -0.04 1.68 1.79 2rliA31 LYS 116 HE2 0.08 0.04 0.02 -0.04 2.99 3.08 2rliA31 LYS 116 HE3 0.06 -0.15 -0.02 -0.04 2.99 2.83 2rliA31 ALA 117 H -0.09 0.04 -0.16 -0.55 8.40 7.64 2rliA31 ALA 117 HA 0.03 0.15 0.28 -0.75 4.34 4.05 2rliA31 ALA 117 HB3 -0.02 0.02 0.03 -0.04 1.41 1.40 2rliA31 ASP 118 H -0.02 0.08 -0.33 -0.55 8.40 7.58 2rliA31 ASP 118 HA -0.03 0.15 0.52 -0.75 4.63 4.52 2rliA31 ASP 118 HB2 -0.08 -0.06 0.10 -0.04 2.71 2.64 2rliA31 ASP 118 HB3 -0.19 -0.07 0.16 -0.04 2.70 2.55 2rliA31 PHE 119 H 0.16 0.23 -0.05 -0.55 8.34 8.12 2rliA31 PHE 119 HA 0.08 0.07 0.24 -0.75 4.62 4.26 2rliA31 PHE 119 HB2 0.18 0.05 0.01 -0.04 3.15 3.34 2rliA31 PHE 119 HB3 0.13 0.04 -0.13 -0.04 3.06 3.06 2rliA31 PHE 119 HD2 0.23 0.07 -0.12 -0.04 7.28 7.42 2rliA31 PHE 119 HE2 0.17 -0.01 -0.16 -0.04 7.38 7.35 2rliA31 PHE 119 HZ 0.07 -0.04 -0.15 -0.04 7.32 7.17 2rliA31 ARG 120 H 0.18 0.20 -0.44 -0.55 8.46 7.86 2rliA31 ARG 120 HA 0.14 -0.08 0.12 -0.75 4.34 3.77 2rliA31 ARG 120 HB2 0.09 0.02 0.03 -0.04 1.90 2.00 2rliA31 ARG 120 HB3 0.09 0.02 0.00 -0.04 1.80 1.87 2rliA31 ARG 120 HG2 0.09 0.17 -0.22 -0.04 1.67 1.68 2rliA31 ARG 120 HG3 0.08 -0.09 -0.23 -0.04 1.67 1.40 2rliA31 ARG 120 HD2 0.05 -0.05 0.00 -0.04 3.22 3.18 2rliA31 ARG 120 HD3 0.06 0.02 0.00 -0.04 3.22 3.26 2rliA31 GLY 121 H 0.11 0.15 -0.17 -0.55 8.43 7.97 2rliA31 GLY 121 HA2 0.13 0.23 0.25 -0.51 4.01 4.10 2rliA31 GLY 121 HA3 0.10 -0.04 0.36 -0.51 4.01 3.92 2rliA31 GLN 122 H 0.17 0.33 0.26 -0.55 8.47 8.69 2rliA31 GLN 122 HA 0.17 0.04 0.30 -0.75 4.36 4.11 2rliA31 GLN 122 HB2 0.14 0.07 -0.07 -0.04 2.15 2.25 2rliA31 GLN 122 HB3 0.18 -0.02 0.06 -0.04 2.02 2.19 2rliA31 GLN 122 HG2 0.15 0.19 -0.02 -0.04 2.40 2.68 2rliA31 GLN 122 HG3 0.11 -0.06 0.15 -0.04 2.39 2.54 2rliA31 GLN 122 HE21 0.13 0.28 -0.05 -0.04 6.97 7.29 2rliA31 GLN 122 HE22 0.10 -0.13 -0.13 -0.04 7.69 7.48 2rliA31 TRP 123 H 0.22 0.15 -0.05 -0.55 7.97 7.74 2rliA31 TRP 123 HA 0.01 0.11 0.48 -0.75 4.62 4.47 2rliA31 TRP 123 HB2 0.04 0.15 -0.36 -0.04 3.23 3.02 2rliA31 TRP 123 HB3 0.03 -0.10 -0.18 -0.04 3.23 2.93 2rliA31 TRP 123 HD1 0.02 0.15 0.15 -0.04 7.22 7.50 2rliA31 TRP 123 HE1 -0.21 -0.05 0.01 -0.04 10.20 9.91 2rliA31 TRP 123 HE3 0.04 -0.03 -0.15 -0.04 7.59 7.41 2rliA31 TRP 123 HZ2 0.00 -0.01 -0.13 -0.04 7.44 7.26 2rliA31 TRP 123 HZ3 0.08 -0.08 -0.05 -0.04 7.13 7.04 2rliA31 TRP 123 HH2 0.15 -0.03 0.01 -0.04 7.19 7.27 2rliA31 VAL 124 H -0.09 0.75 0.37 -0.55 8.24 8.72 2rliA31 VAL 124 HA 0.06 0.01 0.78 -0.75 4.13 4.23 2rliA31 VAL 124 HB -0.05 0.05 0.06 -0.04 2.12 2.14 2rliA31 VAL 124 HG13 0.09 -0.01 -0.14 -0.04 0.97 0.86 2rliA31 VAL 124 HG23 -0.09 -0.02 -0.10 -0.04 0.95 0.70 2rliA31 LEU 125 H -0.03 0.70 0.32 -0.55 8.37 8.82 2rliA31 LEU 125 HA -0.11 0.26 0.99 -0.75 4.35 4.74 2rliA31 LEU 125 HB2 -0.02 -0.04 0.08 -0.04 1.64 1.63 2rliA31 LEU 125 HB3 -0.04 -0.02 -0.05 -0.04 1.64 1.49 2rliA31 LEU 125 HG -0.03 0.03 -0.12 -0.04 1.64 1.48 2rliA31 LEU 125 HD13 0.10 -0.01 -0.25 -0.04 0.93 0.73 2rliA31 LEU 125 HD23 0.08 -0.02 -0.11 -0.04 0.89 0.81 2rliA31 MET 126 H -0.13 0.67 0.38 -0.55 8.47 8.84 2rliA31 MET 126 HA -0.37 0.16 0.91 -0.75 4.52 4.47 2rliA31 MET 126 HB2 -0.25 -0.02 0.16 -0.04 2.15 2.01 2rliA31 MET 126 HB3 -0.86 0.00 -0.02 -0.04 2.03 1.12 2rliA31 MET 126 HG2 -0.42 0.01 -0.08 -0.04 2.63 2.10 2rliA31 MET 126 HG3 -0.24 0.01 -0.11 -0.04 2.56 2.19 2rliA31 MET 126 HE3 -0.24 -0.00 -0.11 -0.04 2.10 1.71 2rliA31 TYR 127 H -0.41 0.62 0.39 -0.55 8.29 8.34 2rliA31 TYR 127 HA -0.33 0.40 0.97 -0.75 4.56 4.85 2rliA31 TYR 127 HB2 -0.28 -0.01 -0.03 -0.04 3.06 2.69 2rliA31 TYR 127 HB3 -0.47 0.00 0.15 -0.04 2.98 2.62 2rliA31 TYR 127 HD2 -0.66 0.03 -0.11 -0.04 7.15 6.37 2rliA31 TYR 127 HE2 -0.39 -0.04 -0.10 -0.04 6.85 6.27 2rliA31 PHE 128 H -0.51 0.47 0.22 -0.55 8.34 7.96 2rliA31 PHE 128 HA -0.64 0.24 0.91 -0.75 4.62 4.38 2rliA31 PHE 128 HB2 -0.40 0.00 0.16 -0.04 3.15 2.87 2rliA31 PHE 128 HB3 -0.45 -0.01 -0.02 -0.04 3.06 2.54 2rliA31 PHE 128 HD2 -0.27 0.07 -0.07 -0.04 7.28 6.97 2rliA31 PHE 128 HE2 -0.69 -0.00 -0.14 -0.04 7.38 6.51 2rliA31 PHE 128 HZ -1.30 0.02 -0.10 -0.04 7.32 5.90 2rliA31 GLY 129 H -0.65 0.69 0.36 -0.55 8.43 8.28 2rliA31 GLY 129 HA2 -0.40 0.16 0.78 -0.51 4.01 4.05 2rliA31 GLY 129 HA3 -0.64 -0.01 0.16 -0.51 4.01 3.01 2rliA31 PHE 130 H 0.02 0.16 0.02 -0.55 8.34 7.99 2rliA31 PHE 130 HA 0.04 0.11 0.82 -0.75 4.62 4.84 2rliA31 PHE 130 HB2 0.05 0.09 0.17 -0.04 3.15 3.42 2rliA31 PHE 130 HB3 0.03 0.05 0.02 -0.04 3.06 3.12 2rliA31 PHE 130 HD2 0.13 0.04 0.10 -0.04 7.28 7.51 2rliA31 PHE 130 HE2 0.02 0.12 0.13 -0.04 7.38 7.60 2rliA31 PHE 130 HZ 0.02 -0.05 0.16 -0.04 7.32 7.40 2rliA31 THR 131 H 0.30 0.21 -0.53 -0.55 8.28 7.71 2rliA31 THR 131 HA -0.27 0.02 0.26 -0.75 4.39 3.64 2rliA31 THR 131 HB -0.03 0.22 0.16 -0.04 4.32 4.62 2rliA31 THR 131 HG23 -0.20 0.01 -0.11 -0.04 1.22 0.88 2rliA31 HIS 132 H -0.27 0.58 -0.35 -0.55 8.41 7.82 2rliA31 HIS 132 HA -0.25 -0.10 0.37 -0.75 4.63 3.90 2rliA31 HIS 132 HB2 -0.36 0.00 -0.38 -0.04 3.26 2.49 2rliA31 HIS 132 HB3 -0.20 0.03 -0.12 -0.04 3.20 2.87 2rliA31 HIS 132 HD2 -1.06 0.17 0.11 -0.04 6.97 6.15 2rliA31 HIS 132 HE1 0.07 -0.00 -0.04 -0.04 7.75 7.73 2rliA31 CYS 133 H -0.41 -0.01 0.16 -0.55 8.50 7.69 2rliA31 CYS 133 HA 0.01 0.21 0.78 -0.75 4.58 4.82 2rliA31 CYS 133 HB2 -0.09 -0.07 0.18 -0.04 2.97 2.94 2rliA31 CYS 133 HB3 0.04 -0.20 0.22 -0.04 2.97 2.99 2rliA31 PRO 134 HA 0.11 0.22 0.66 -0.51 4.44 4.92 2rliA31 PRO 134 HB2 0.06 0.07 0.09 -0.04 2.28 2.45 2rliA31 PRO 134 HB3 0.08 0.08 0.10 -0.04 2.02 2.23 2rliA31 PRO 134 HG2 0.06 -0.00 0.02 -0.04 2.03 2.08 2rliA31 PRO 134 HG3 0.08 0.08 0.07 -0.04 2.03 2.22 2rliA31 PRO 134 HD2 0.14 -0.02 0.30 -0.04 3.68 4.05 2rliA31 PRO 134 HD3 0.16 0.26 0.20 -0.04 3.65 4.23 2rliA31 ASP 135 H 0.05 -0.13 -0.04 -0.55 8.40 7.73 2rliA31 ASP 135 HA 0.04 0.21 0.46 -0.75 4.63 4.59 2rliA31 ASP 135 HB2 0.03 0.06 0.14 -0.04 2.71 2.90 2rliA31 ASP 135 HB3 0.04 0.06 -0.26 -0.04 2.70 2.49 2rliA31 ILE 136 H 0.03 -0.10 0.11 -0.55 8.25 7.75 2rliA31 ILE 136 HA 0.04 0.24 0.86 -0.75 4.18 4.57 2rliA31 ILE 136 HB 0.21 -0.08 0.20 -0.04 1.89 2.18 2rliA31 ILE 136 HG12 0.04 0.09 -0.07 -0.04 1.49 1.52 2rliA31 ILE 136 HG13 0.05 -0.14 0.05 -0.04 1.21 1.13 2rliA31 ILE 136 HG23 0.15 0.04 0.02 -0.04 0.93 1.10 2rliA31 ILE 136 HD13 -0.03 0.04 0.04 -0.04 0.88 0.89 2rliA31 CYS 137 H 0.04 0.01 0.16 -0.55 8.50 8.16 2rliA31 CYS 137 HA -0.10 0.09 0.34 -0.75 4.58 4.16 2rliA31 CYS 137 HB2 -0.44 -0.08 0.20 -0.04 2.97 2.61 2rliA31 CYS 137 HB3 -0.37 0.19 -0.03 -0.04 2.97 2.73 2rliA31 PRO 138 HA 0.02 0.11 0.38 -0.51 4.44 4.44 2rliA31 PRO 138 HB2 0.32 0.08 -0.08 -0.04 2.28 2.56 2rliA31 PRO 138 HB3 0.38 0.07 0.01 -0.04 2.02 2.43 2rliA31 PRO 138 HG2 0.07 0.09 -0.24 -0.04 2.03 1.91 2rliA31 PRO 138 HG3 0.17 0.15 -0.15 -0.04 2.03 2.15 2rliA31 PRO 138 HD2 -0.11 -0.12 -0.55 -0.04 3.68 2.86 2rliA31 PRO 138 HD3 -0.61 0.17 -0.02 -0.04 3.65 3.15 2rliA31 ASP 139 H -0.01 0.38 -0.46 -0.55 8.40 7.76 2rliA31 ASP 139 HA 0.06 0.09 0.43 -0.75 4.63 4.46 2rliA31 ASP 139 HB2 0.03 0.15 0.10 -0.04 2.71 2.94 2rliA31 ASP 139 HB3 0.02 0.01 0.24 -0.04 2.70 2.92 2rliA31 GLU 140 H -0.04 0.48 0.05 -0.55 8.60 8.54 2rliA31 GLU 140 HA -0.04 0.03 0.44 -0.75 4.29 3.97 2rliA31 GLU 140 HB2 -0.06 0.04 0.08 -0.04 2.09 2.11 2rliA31 GLU 140 HB3 -0.26 0.07 -0.02 -0.04 1.99 1.74 2rliA31 GLU 140 HG2 -0.07 0.03 -0.04 -0.04 2.34 2.22 2rliA31 GLU 140 HG3 -0.07 -0.04 0.01 -0.04 2.34 2.19 2rliA31 LEU 141 H -0.13 0.29 -0.39 -0.55 8.37 7.60 2rliA31 LEU 141 HA -0.12 0.04 0.57 -0.75 4.35 4.08 2rliA31 LEU 141 HB2 -0.21 0.09 0.17 -0.04 1.64 1.64 2rliA31 LEU 141 HB3 -0.30 0.05 -0.02 -0.04 1.64 1.32 2rliA31 LEU 141 HG -0.21 -0.02 -0.00 -0.04 1.64 1.36 2rliA31 LEU 141 HD13 -0.55 0.01 -0.10 -0.04 0.93 0.25 2rliA31 LEU 141 HD23 -0.23 -0.00 -0.09 -0.04 0.89 0.53 2rliA31 GLU 142 H 0.17 0.57 -0.11 -0.55 8.60 8.68 2rliA31 GLU 142 HA 0.17 0.03 0.49 -0.75 4.29 4.22 2rliA31 GLU 142 HB2 0.13 0.06 0.17 -0.04 2.09 2.40 2rliA31 GLU 142 HB3 0.09 0.15 0.26 -0.04 1.99 2.45 2rliA31 GLU 142 HG2 0.03 -0.06 -0.22 -0.04 2.34 2.04 2rliA31 GLU 142 HG3 0.01 0.01 0.02 -0.04 2.34 2.34 2rliA31 LYS 143 H 0.03 0.53 -0.21 -0.55 8.42 8.21 2rliA31 LYS 143 HA 0.00 -0.01 0.33 -0.75 4.32 3.89 2rliA31 LYS 143 HB2 -0.00 0.20 0.13 -0.04 1.87 2.16 2rliA31 LYS 143 HB3 -0.02 0.09 0.18 -0.04 1.79 1.99 2rliA31 LYS 143 HG2 -0.02 -0.02 -0.01 -0.04 1.46 1.37 2rliA31 LYS 143 HG3 -0.03 -0.04 -0.07 -0.04 1.46 1.28 2rliA31 LYS 143 HD2 -0.02 -0.12 0.04 -0.04 1.69 1.55 2rliA31 LYS 143 HD3 -0.01 -0.01 0.07 -0.04 1.68 1.69 2rliA31 LYS 143 HE2 -0.00 0.02 -0.02 -0.04 2.99 2.94 2rliA31 LYS 143 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.93 2rliA31 LEU 144 H -0.01 0.56 -0.21 -0.55 8.37 8.17 2rliA31 LEU 144 HA 0.02 -0.03 0.56 -0.75 4.35 4.14 2rliA31 LEU 144 HB2 -0.02 0.14 0.20 -0.04 1.64 1.92 2rliA31 LEU 144 HB3 0.02 -0.04 -0.02 -0.04 1.64 1.56 2rliA31 LEU 144 HG -0.04 0.14 0.03 -0.04 1.64 1.72 2rliA31 LEU 144 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.75 2rliA31 LEU 144 HD23 0.08 -0.03 -0.06 -0.04 0.89 0.84 2rliA31 VAL 145 H 0.06 0.76 0.01 -0.55 8.24 8.52 2rliA31 VAL 145 HA 0.04 -0.04 0.28 -0.75 4.13 3.66 2rliA31 VAL 145 HB 0.11 0.06 0.20 -0.04 2.12 2.45 2rliA31 VAL 145 HG13 0.03 0.00 -0.07 -0.04 0.97 0.88 2rliA31 VAL 145 HG23 0.17 0.01 0.01 -0.04 0.95 1.10 2rliA31 GLN 146 H 0.03 0.70 -0.20 -0.55 8.47 8.45 2rliA31 GLN 146 HA 0.00 0.03 0.39 -0.75 4.36 4.03 2rliA31 GLN 146 HB2 0.01 0.06 0.07 -0.04 2.15 2.25 2rliA31 GLN 146 HB3 0.00 0.08 0.08 -0.04 2.02 2.13 2rliA31 GLN 146 HG2 -0.01 -0.04 -0.08 -0.04 2.40 2.23 2rliA31 GLN 146 HG3 -0.00 0.01 0.05 -0.04 2.39 2.40 2rliA31 GLN 146 HE21 -0.00 0.03 -0.01 -0.04 6.97 6.95 2rliA31 GLN 146 HE22 -0.00 -0.04 -0.02 -0.04 7.69 7.59 2rliA31 VAL 147 H 0.01 0.42 -0.24 -0.55 8.24 7.89 2rliA31 VAL 147 HA 0.00 0.04 0.70 -0.75 4.13 4.12 2rliA31 VAL 147 HB 0.02 0.11 0.18 -0.04 2.12 2.39 2rliA31 VAL 147 HG13 0.02 -0.03 -0.08 -0.04 0.97 0.84 2rliA31 VAL 147 HG23 -0.02 0.02 0.11 -0.04 0.95 1.02 2rliA31 VAL 148 H 0.03 0.63 0.04 -0.55 8.24 8.39 2rliA31 VAL 148 HA 0.04 -0.04 0.28 -0.75 4.13 3.66 2rliA31 VAL 148 HB 0.02 0.08 0.11 -0.04 2.12 2.29 2rliA31 VAL 148 HG13 0.02 0.01 -0.09 -0.04 0.97 0.87 2rliA31 VAL 148 HG23 0.05 0.01 -0.09 -0.04 0.95 0.88 2rliA31 ARG 149 H 0.00 0.59 -0.19 -0.55 8.46 8.31 2rliA31 ARG 149 HA -0.01 0.03 0.32 -0.75 4.34 3.92 2rliA31 ARG 149 HB2 -0.01 0.10 0.02 -0.04 1.90 1.97 2rliA31 ARG 149 HB3 -0.01 -0.03 -0.05 -0.04 1.80 1.67 2rliA31 ARG 149 HG2 -0.01 0.05 0.05 -0.04 1.67 1.71 2rliA31 ARG 149 HG3 -0.01 -0.05 -0.04 -0.04 1.67 1.52 2rliA31 ARG 149 HD2 -0.03 0.01 -0.01 -0.04 3.22 3.15 2rliA31 ARG 149 HD3 -0.04 -0.02 -0.03 -0.04 3.22 3.09 2rliA31 GLN 150 H 0.00 0.29 -0.44 -0.55 8.47 7.78 2rliA31 GLN 150 HA -0.01 0.07 0.68 -0.75 4.36 4.35 2rliA31 GLN 150 HB2 0.00 0.11 0.19 -0.04 2.15 2.42 2rliA31 GLN 150 HB3 -0.00 -0.07 0.06 -0.04 2.02 1.96 2rliA31 GLN 150 HG2 -0.01 -0.03 0.04 -0.04 2.40 2.36 2rliA31 GLN 150 HG3 -0.00 0.11 0.06 -0.04 2.39 2.52 2rliA31 GLN 150 HE21 -0.00 0.44 0.11 -0.04 6.97 7.48 2rliA31 GLN 150 HE22 -0.01 -0.19 -0.04 -0.04 7.69 7.41 2rliA31 LEU 151 H 0.01 0.37 -0.02 -0.55 8.37 8.18 2rliA31 LEU 151 HA -0.00 0.04 0.42 -0.75 4.35 4.05 2rliA31 LEU 151 HB2 0.03 0.03 0.17 -0.04 1.64 1.83 2rliA31 LEU 151 HB3 0.02 0.04 0.03 -0.04 1.64 1.69 2rliA31 LEU 151 HG 0.02 0.03 0.00 -0.04 1.64 1.64 2rliA31 LEU 151 HD13 0.02 0.03 -0.04 -0.04 0.93 0.89 2rliA31 LEU 151 HD23 0.09 -0.02 -0.10 -0.04 0.89 0.82 2rliA31 GLU 152 H 0.01 0.31 0.10 -0.55 8.60 8.47 2rliA31 GLU 152 HA -0.00 0.10 0.35 -0.75 4.29 3.97 2rliA31 GLU 152 HB2 -0.00 0.10 0.06 -0.04 2.09 2.20 2rliA31 GLU 152 HB3 -0.00 -0.01 0.06 -0.04 1.99 2.00 2rliA31 GLU 152 HG2 0.01 0.01 0.03 -0.04 2.34 2.35 2rliA31 GLU 152 HG3 0.01 0.03 0.06 -0.04 2.34 2.39 2rliA31 ALA 153 H -0.01 0.14 -1.08 -0.55 8.40 6.90 2rliA31 ALA 153 HA -0.01 0.03 0.69 -0.75 4.34 4.30 2rliA31 ALA 153 HB3 -0.01 0.06 0.09 -0.04 1.41 1.51 2rliA31 GLU 154 H -0.01 0.62 0.04 -0.55 8.60 8.70 2rliA31 GLU 154 HA -0.01 0.06 0.71 -0.75 4.29 4.29 2rliA31 GLU 154 HB2 -0.02 0.06 0.15 -0.04 2.09 2.23 2rliA31 GLU 154 HB3 -0.02 0.04 0.04 -0.04 1.99 2.01 2rliA31 GLU 154 HG2 -0.01 -0.03 0.02 -0.04 2.34 2.28 2rliA31 GLU 154 HG3 -0.01 0.08 0.09 -0.04 2.34 2.46 2rliA31 PRO 155 HA -0.01 0.16 0.70 -0.51 4.44 4.78 2rliA31 PRO 155 HB2 -0.01 -0.02 0.03 -0.04 2.28 2.25 2rliA31 PRO 155 HB3 -0.01 0.06 0.07 -0.04 2.02 2.10 2rliA31 PRO 155 HG2 -0.01 -0.00 0.05 -0.04 2.03 2.02 2rliA31 PRO 155 HG3 -0.01 0.02 0.07 -0.04 2.03 2.07 2rliA31 PRO 155 HD2 -0.01 0.04 0.26 -0.04 3.68 3.93 2rliA31 PRO 155 HD3 -0.01 0.28 0.24 -0.04 3.65 4.12 2rliA31 GLY 156 H -0.01 0.16 0.12 -0.55 8.43 8.15 2rliA31 GLY 156 HA2 -0.02 0.00 0.31 -0.51 4.01 3.80 2rliA31 GLY 156 HA3 -0.02 0.06 0.41 -0.51 4.01 3.94 2rliA31 LEU 157 H -0.03 0.07 -0.71 -0.55 8.37 7.15 2rliA31 LEU 157 HA -0.09 0.08 0.51 -0.75 4.35 4.10 2rliA31 LEU 157 HB2 -0.05 0.05 -0.18 -0.04 1.64 1.41 2rliA31 LEU 157 HB3 -0.10 0.09 -0.12 -0.04 1.64 1.46 2rliA31 LEU 157 HG -0.04 0.04 -0.22 -0.04 1.64 1.37 2rliA31 LEU 157 HD13 -0.05 0.00 -0.04 -0.04 0.93 0.80 2rliA31 LEU 157 HD23 -0.07 -0.02 -0.09 -0.04 0.89 0.67 2rliA31 PRO 158 HA -0.06 0.12 0.61 -0.51 4.44 4.60 2rliA31 PRO 158 HB2 -0.32 0.12 -0.03 -0.04 2.28 2.01 2rliA31 PRO 158 HB3 -0.17 0.02 0.11 -0.04 2.02 1.94 2rliA31 PRO 158 HG2 -0.69 -0.04 0.08 -0.04 2.03 1.34 2rliA31 PRO 158 HG3 -0.53 0.01 0.07 -0.04 2.03 1.54 2rliA31 PRO 158 HD2 -0.23 0.02 0.18 -0.04 3.68 3.61 2rliA31 PRO 158 HD3 -0.17 0.15 0.15 -0.04 3.65 3.74 2rliA31 PRO 159 HA 0.01 0.02 0.43 -0.51 4.44 4.40 2rliA31 PRO 159 HB2 0.04 0.05 -0.03 -0.04 2.28 2.30 2rliA31 PRO 159 HB3 0.02 0.03 0.04 -0.04 2.02 2.07 2rliA31 PRO 159 HG2 0.06 0.02 0.07 -0.04 2.03 2.13 2rliA31 PRO 159 HG3 0.03 0.00 0.07 -0.04 2.03 2.09 2rliA31 PRO 159 HD2 0.03 0.07 0.22 -0.04 3.68 3.96 2rliA31 PRO 159 HD3 -0.00 0.27 0.25 -0.04 3.65 4.12 2rliA31 VAL 160 H 0.07 0.05 0.12 -0.55 8.24 7.94 2rliA31 VAL 160 HA 0.21 0.37 0.64 -0.75 4.13 4.59 2rliA31 VAL 160 HB 0.20 -0.09 -0.07 -0.04 2.12 2.12 2rliA31 VAL 160 HG13 0.33 0.02 -0.16 -0.04 0.97 1.12 2rliA31 VAL 160 HG23 0.10 -0.03 -0.13 -0.04 0.95 0.85 2rliA31 GLN 161 H 0.11 0.23 0.22 -0.55 8.47 8.48 2rliA31 GLN 161 HA 0.05 0.15 0.61 -0.75 4.36 4.42 2rliA31 GLN 161 HB2 0.08 0.09 -0.15 -0.04 2.15 2.12 2rliA31 GLN 161 HB3 0.07 -0.06 0.03 -0.04 2.02 2.02 2rliA31 GLN 161 HG2 0.04 0.12 0.08 -0.04 2.40 2.60 2rliA31 GLN 161 HG3 0.06 0.01 0.05 -0.04 2.39 2.47 2rliA31 GLN 161 HE21 0.03 0.43 -0.11 -0.04 6.97 7.27 2rliA31 GLN 161 HE22 0.10 -0.13 -0.06 -0.04 7.69 7.56 2rliA31 PRO 162 HA -0.04 0.19 0.88 -0.51 4.44 4.96 2rliA31 PRO 162 HB2 -0.03 -0.00 -0.05 -0.04 2.28 2.16 2rliA31 PRO 162 HB3 -0.02 -0.02 0.08 -0.04 2.02 2.01 2rliA31 PRO 162 HG2 0.00 0.00 0.11 -0.04 2.03 2.11 2rliA31 PRO 162 HG3 0.01 0.02 0.04 -0.04 2.03 2.07 2rliA31 PRO 162 HD2 0.03 0.16 0.23 -0.04 3.68 4.06 2rliA31 PRO 162 HD3 0.03 0.10 0.05 -0.04 3.65 3.79 2rliA31 VAL 163 H -0.11 0.75 0.40 -0.55 8.24 8.73 2rliA31 VAL 163 HA -0.05 0.18 0.75 -0.75 4.13 4.25 2rliA31 VAL 163 HB -0.28 -0.05 0.08 -0.04 2.12 1.83 2rliA31 VAL 163 HG13 -0.20 -0.02 -0.23 -0.04 0.97 0.48 2rliA31 VAL 163 HG23 -0.17 0.02 -0.17 -0.04 0.95 0.58 2rliA31 PHE 164 H 0.07 0.47 0.27 -0.55 8.34 8.60 2rliA31 PHE 164 HA -0.09 0.16 0.89 -0.75 4.62 4.83 2rliA31 PHE 164 HB2 -0.01 0.04 0.06 -0.04 3.15 3.20 2rliA31 PHE 164 HB3 -0.03 -0.08 0.17 -0.04 3.06 3.07 2rliA31 PHE 164 HD2 0.00 -0.02 -0.28 -0.04 7.28 6.94 2rliA31 PHE 164 HE2 -0.03 -0.09 -0.18 -0.04 7.38 7.03 2rliA31 PHE 164 HZ -0.13 -0.22 -0.35 -0.04 7.32 6.57 2rliA31 ILE 165 H -0.63 0.74 0.38 -0.55 8.25 8.19 2rliA31 ILE 165 HA -0.11 0.28 1.02 -0.75 4.18 4.62 2rliA31 ILE 165 HB -0.83 0.00 0.13 -0.04 1.89 1.15 2rliA31 ILE 165 HG12 -0.38 0.02 -0.13 -0.04 1.49 0.96 2rliA31 ILE 165 HG13 -0.59 0.01 -0.27 -0.04 1.21 0.32 2rliA31 ILE 165 HG23 -0.12 0.01 -0.10 -0.04 0.93 0.68 2rliA31 ILE 165 HD13 -1.04 -0.01 -0.11 -0.04 0.88 -0.31 2rliA31 THR 166 H 0.06 0.32 0.19 -0.55 8.28 8.31 2rliA31 THR 166 HA 0.15 0.19 0.74 -0.75 4.39 4.72 2rliA31 THR 166 HB 0.08 0.02 0.15 -0.04 4.32 4.52 2rliA31 THR 166 HG23 0.09 -0.06 -0.00 -0.04 1.22 1.21 2rliA31 VAL 167 H 0.01 0.64 0.38 -0.55 8.24 8.72 2rliA31 VAL 167 HA 0.01 0.13 0.52 -0.75 4.13 4.04 2rliA31 VAL 167 HB -0.17 0.01 0.06 -0.04 2.12 1.98 2rliA31 VAL 167 HG13 -0.38 0.03 -0.13 -0.04 0.97 0.45 2rliA31 VAL 167 HG23 -0.08 0.00 -0.23 -0.04 0.95 0.60 2rliA31 ASP 168 H 0.07 0.12 -0.22 -0.55 8.40 7.81 2rliA31 ASP 168 HA 0.06 0.21 0.84 -0.75 4.63 4.98 2rliA31 ASP 168 HB2 0.09 -0.01 0.00 -0.04 2.71 2.76 2rliA31 ASP 168 HB3 0.08 0.03 0.11 -0.04 2.70 2.87 2rliA31 PRO 169 HA 0.03 0.23 0.55 -0.51 4.44 4.74 2rliA31 PRO 169 HB2 0.02 -0.11 0.13 -0.04 2.28 2.27 2rliA31 PRO 169 HB3 0.02 0.06 -0.07 -0.04 2.02 1.99 2rliA31 PRO 169 HG2 0.02 0.04 0.00 -0.04 2.03 2.06 2rliA31 PRO 169 HG3 0.02 -0.01 0.07 -0.04 2.03 2.07 2rliA31 PRO 169 HD2 0.03 0.12 0.22 -0.04 3.68 4.01 2rliA31 PRO 169 HD3 0.04 0.22 0.03 -0.04 3.65 3.89 2rliA31 GLU 170 H 0.03 0.15 -0.26 -0.55 8.60 7.98 2rliA31 GLU 170 HA 0.02 0.13 0.63 -0.75 4.29 4.31 2rliA31 GLU 170 HB2 0.02 -0.00 0.02 -0.04 2.09 2.08 2rliA31 GLU 170 HB3 0.02 0.07 -0.06 -0.04 1.99 1.98 2rliA31 GLU 170 HG2 0.01 0.04 0.06 -0.04 2.34 2.42 2rliA31 GLU 170 HG3 0.01 0.04 0.01 -0.04 2.34 2.36 2rliA31 ARG 171 H 0.02 0.18 0.04 -0.55 8.46 8.14 2rliA31 ARG 171 HA 0.01 0.06 0.34 -0.75 4.34 4.00 2rliA31 ARG 171 HB2 0.03 0.17 0.18 -0.04 1.90 2.23 2rliA31 ARG 171 HB3 0.02 0.03 0.08 -0.04 1.80 1.88 2rliA31 ARG 171 HG2 0.04 0.06 -0.03 -0.04 1.67 1.69 2rliA31 ARG 171 HG3 0.02 -0.03 -0.05 -0.04 1.67 1.57 2rliA31 ARG 171 HD2 0.04 -0.11 -0.55 -0.04 3.22 2.55 2rliA31 ARG 171 HD3 0.06 0.06 -0.11 -0.04 3.22 3.19 2rliA31 ASP 172 H 0.02 0.31 -1.06 -0.55 8.40 7.12 2rliA31 ASP 172 HA -0.00 0.18 0.75 -0.75 4.63 4.80 2rliA31 ASP 172 HB2 -0.00 0.04 -0.26 -0.04 2.71 2.44 2rliA31 ASP 172 HB3 0.02 0.11 0.01 -0.04 2.70 2.79 2rliA31 ASP 173 H 0.01 0.13 -0.14 -0.55 8.40 7.85 2rliA31 ASP 173 HA 0.02 0.15 0.65 -0.75 4.63 4.70 2rliA31 ASP 173 HB2 0.01 0.07 0.06 -0.04 2.71 2.81 2rliA31 ASP 173 HB3 0.01 0.01 -0.00 -0.04 2.70 2.68 2rliA31 VAL 174 H 0.02 0.19 0.05 -0.55 8.24 7.95 2rliA31 VAL 174 HA 0.06 0.02 0.08 -0.75 4.13 3.53 2rliA31 VAL 174 HB 0.04 0.10 -0.15 -0.04 2.12 2.07 2rliA31 VAL 174 HG13 0.04 -0.00 -0.08 -0.04 0.97 0.88 2rliA31 VAL 174 HG23 0.01 0.02 -0.14 -0.04 0.95 0.80 2rliA31 GLU 175 H 0.01 0.03 -0.38 -0.55 8.60 7.72 2rliA31 GLU 175 HA 0.00 0.15 0.40 -0.75 4.29 4.09 2rliA31 GLU 175 HB2 0.00 -0.04 -0.02 -0.04 2.09 2.00 2rliA31 GLU 175 HB3 0.00 0.06 0.02 -0.04 1.99 2.03 2rliA31 GLU 175 HG2 -0.01 0.09 -0.01 -0.04 2.34 2.37 2rliA31 GLU 175 HG3 0.00 -0.10 -0.03 -0.04 2.34 2.17 2rliA31 ALA 176 H 0.01 0.54 -0.10 -0.55 8.40 8.30 2rliA31 ALA 176 HA 0.01 0.11 0.58 -0.75 4.34 4.28 2rliA31 ALA 176 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 2rliA31 MET 177 H 0.02 0.21 -0.16 -0.55 8.47 8.00 2rliA31 MET 177 HA 0.03 0.04 0.35 -0.75 4.52 4.18 2rliA31 MET 177 HB2 0.06 0.04 0.05 -0.04 2.15 2.26 2rliA31 MET 177 HB3 0.05 -0.03 0.03 -0.04 2.03 2.04 2rliA31 MET 177 HG2 -0.05 0.02 -0.03 -0.04 2.63 2.53 2rliA31 MET 177 HG3 -0.00 -0.02 -0.04 -0.04 2.56 2.46 2rliA31 MET 177 HE3 -0.63 0.01 -0.05 -0.04 2.10 1.39 2rliA31 ALA 178 H 0.10 0.49 -0.14 -0.55 8.40 8.30 2rliA31 ALA 178 HA 0.30 0.01 0.34 -0.75 4.34 4.24 2rliA31 ALA 178 HB3 -0.00 0.06 0.09 -0.04 1.41 1.52 2rliA31 ARG 179 H 0.04 0.25 -0.52 -0.55 8.46 7.68 2rliA31 ARG 179 HA 0.02 0.06 0.62 -0.75 4.34 4.29 2rliA31 ARG 179 HB2 0.02 0.13 0.20 -0.04 1.90 2.20 2rliA31 ARG 179 HB3 0.03 0.04 0.17 -0.04 1.80 1.99 2rliA31 ARG 179 HG2 0.02 -0.02 -0.00 -0.04 1.67 1.62 2rliA31 ARG 179 HG3 0.01 -0.01 0.07 -0.04 1.67 1.70 2rliA31 ARG 179 HD2 0.00 0.02 0.03 -0.04 3.22 3.23 2rliA31 ARG 179 HD3 0.00 -0.02 0.02 -0.04 3.22 3.18 2rliA31 TYR 180 H 0.11 0.46 0.04 -0.55 8.29 8.35 2rliA31 TYR 180 HA -0.03 0.03 0.45 -0.75 4.56 4.25 2rliA31 TYR 180 HB2 -0.13 -0.00 0.05 -0.04 3.06 2.95 2rliA31 TYR 180 HB3 -0.13 0.02 0.11 -0.04 2.98 2.94 2rliA31 TYR 180 HD2 -0.20 -0.02 -0.04 -0.04 7.15 6.86 2rliA31 TYR 180 HE2 -0.03 -0.01 -0.09 -0.04 6.85 6.69 2rliA31 VAL 181 H -0.01 0.75 -0.09 -0.55 8.24 8.34 2rliA31 VAL 181 HA -0.21 -0.04 0.30 -0.75 4.13 3.42 2rliA31 VAL 181 HB 0.07 0.11 0.06 -0.04 2.12 2.33 2rliA31 VAL 181 HG13 0.05 0.01 -0.09 -0.04 0.97 0.91 2rliA31 VAL 181 HG23 -0.13 -0.04 -0.18 -0.04 0.95 0.56 2rliA31 GLN 182 H -0.03 0.36 -0.50 -0.55 8.47 7.76 2rliA31 GLN 182 HA -0.07 0.02 0.42 -0.75 4.36 3.98 2rliA31 GLN 182 HB2 -0.01 0.21 0.12 -0.04 2.15 2.43 2rliA31 GLN 182 HB3 -0.03 -0.04 -0.01 -0.04 2.02 1.90 2rliA31 GLN 182 HG2 -0.04 -0.04 0.03 -0.04 2.40 2.31 2rliA31 GLN 182 HG3 -0.01 0.04 0.02 -0.04 2.39 2.40 2rliA31 GLN 182 HE21 0.01 0.46 0.18 -0.04 6.97 7.58 2rliA31 GLN 182 HE22 -0.00 -0.11 -0.01 -0.04 7.69 7.52 2rliA31 ASP 183 H -0.04 0.30 -0.26 -0.55 8.40 7.85 2rliA31 ASP 183 HA 0.00 0.05 0.37 -0.75 4.63 4.30 2rliA31 ASP 183 HB2 0.07 0.00 0.09 -0.04 2.71 2.83 2rliA31 ASP 183 HB3 0.13 0.07 0.07 -0.04 2.70 2.94 2rliA31 PHE 184 H -0.01 0.16 -0.53 -0.55 8.34 7.40 2rliA31 PHE 184 HA -0.04 0.12 0.74 -0.75 4.62 4.69 2rliA31 PHE 184 HB2 -0.37 0.02 0.04 -0.04 3.15 2.80 2rliA31 PHE 184 HB3 -0.09 0.00 0.01 -0.04 3.06 2.94 2rliA31 PHE 184 HD2 -0.02 0.01 -0.17 -0.04 7.28 7.06 2rliA31 PHE 184 HE2 0.14 -0.04 -0.14 -0.04 7.38 7.29 2rliA31 PHE 184 HZ 0.08 0.07 0.07 -0.04 7.32 7.49 2rliA31 HIS 185 H 0.07 0.28 0.13 -0.55 8.41 8.34 2rliA31 HIS 185 HA 0.00 0.17 0.44 -0.75 4.63 4.49 2rliA31 HIS 185 HB2 0.03 0.12 -0.14 -0.04 3.26 3.23 2rliA31 HIS 185 HB3 0.03 -0.14 0.02 -0.04 3.20 3.07 2rliA31 HIS 185 HD2 -0.01 0.07 0.08 -0.04 6.97 7.07 2rliA31 HIS 185 HE1 0.01 0.02 -0.13 -0.04 7.75 7.61 2rliA31 PRO 186 HA -0.06 0.06 0.24 -0.51 4.44 4.17 2rliA31 PRO 186 HB2 -0.09 0.01 0.16 -0.04 2.28 2.32 2rliA31 PRO 186 HB3 -0.10 0.01 0.06 -0.04 2.02 1.94 2rliA31 PRO 186 HG2 -0.33 0.02 0.12 -0.04 2.03 1.80 2rliA31 PRO 186 HG3 -0.18 0.03 0.09 -0.04 2.03 1.93 2rliA31 PRO 186 HD2 -1.01 0.10 0.15 -0.04 3.68 2.87 2rliA31 PRO 186 HD3 -0.26 0.22 0.16 -0.04 3.65 3.73 2rliA31 ARG 187 H 0.03 0.38 0.52 -0.55 8.46 8.84 2rliA31 ARG 187 HA 0.09 0.02 0.49 -0.75 4.34 4.18 2rliA31 ARG 187 HB2 0.21 0.12 -0.35 -0.04 1.90 1.84 2rliA31 ARG 187 HB3 0.36 -0.02 -0.18 -0.04 1.80 1.91 2rliA31 ARG 187 HG2 0.10 -0.01 -0.01 -0.04 1.67 1.71 2rliA31 ARG 187 HG3 0.10 -0.01 0.11 -0.04 1.67 1.83 2rliA31 ARG 187 HD2 0.16 0.01 -0.04 -0.04 3.22 3.32 2rliA31 ARG 187 HD3 0.10 -0.01 -0.06 -0.04 3.22 3.21 2rliA31 LEU 188 H 0.09 0.36 0.30 -0.55 8.37 8.57 2rliA31 LEU 188 HA 0.02 0.17 0.78 -0.75 4.35 4.57 2rliA31 LEU 188 HB2 -0.01 -0.00 0.17 -0.04 1.64 1.76 2rliA31 LEU 188 HB3 0.05 0.01 0.18 -0.04 1.64 1.85 2rliA31 LEU 188 HG -0.06 0.04 0.08 -0.04 1.64 1.67 2rliA31 LEU 188 HD13 -0.14 -0.03 -0.18 -0.04 0.93 0.54 2rliA31 LEU 188 HD23 -0.00 -0.00 0.09 -0.04 0.89 0.93 2rliA31 LEU 189 H -0.06 0.29 0.24 -0.55 8.37 8.30 2rliA31 LEU 189 HA -0.46 0.08 0.54 -0.75 4.35 3.76 2rliA31 LEU 189 HB2 -0.63 -0.15 0.17 -0.04 1.64 0.98 2rliA31 LEU 189 HB3 -0.29 0.16 -0.21 -0.04 1.64 1.27 2rliA31 LEU 189 HG -0.02 -0.03 -0.42 -0.04 1.64 1.14 2rliA31 LEU 189 HD13 0.12 -0.03 -0.05 -0.04 0.93 0.93 2rliA31 LEU 189 HD23 0.06 0.03 -0.01 -0.04 0.89 0.92 2rliA31 GLY 190 H -0.21 0.11 0.19 -0.55 8.43 7.98 2rliA31 GLY 190 HA2 0.07 0.27 0.94 -0.51 4.01 4.78 2rliA31 GLY 190 HA3 0.01 -0.04 0.34 -0.51 4.01 3.81 2rliA31 LEU 191 H 0.04 0.75 0.32 -0.55 8.37 8.93 2rliA31 LEU 191 HA 0.08 0.29 0.86 -0.75 4.35 4.83 2rliA31 LEU 191 HB2 0.04 0.02 -0.11 -0.04 1.64 1.54 2rliA31 LEU 191 HB3 -0.09 0.03 0.12 -0.04 1.64 1.66 2rliA31 LEU 191 HG -0.00 -0.04 -0.19 -0.04 1.64 1.38 2rliA31 LEU 191 HD13 0.29 0.02 -0.25 -0.04 0.93 0.96 2rliA31 LEU 191 HD23 -0.24 0.00 -0.13 -0.04 0.89 0.48 2rliA31 THR 192 H 0.06 0.51 0.25 -0.55 8.28 8.56 2rliA31 THR 192 HA 0.04 0.21 0.85 -0.75 4.39 4.74 2rliA31 THR 192 HB 0.04 0.03 0.18 -0.04 4.32 4.53 2rliA31 THR 192 HG23 0.05 0.01 -0.21 -0.04 1.22 1.03 2rliA31 GLY 193 H 0.04 0.33 0.20 -0.55 8.43 8.45 2rliA31 GLY 193 HA2 0.03 0.02 0.32 -0.51 4.01 3.87 2rliA31 GLY 193 HA3 0.04 0.10 0.58 -0.51 4.01 4.22 2rliA31 SER 194 H 0.03 0.14 0.17 -0.55 8.46 8.26 2rliA31 SER 194 HA 0.02 0.19 0.54 -0.75 4.49 4.48 2rliA31 SER 194 HB2 0.02 -0.07 0.06 -0.04 3.95 3.92 2rliA31 SER 194 HB3 0.02 0.05 0.16 -0.04 3.93 4.12 2rliA31 THR 195 H 0.01 0.22 0.19 -0.55 8.28 8.15 2rliA31 THR 195 HA 0.01 0.11 0.30 -0.75 4.39 4.05 2rliA31 THR 195 HB 0.01 0.03 0.17 -0.04 4.32 4.49 2rliA31 THR 195 HG23 -0.00 0.02 0.03 -0.04 1.22 1.22 2rliA31 LYS 196 H 0.00 0.09 -0.12 -0.55 8.42 7.84 2rliA31 LYS 196 HA -0.03 0.11 0.41 -0.75 4.32 4.06 2rliA31 LYS 196 HB2 -0.01 0.08 0.06 -0.04 1.87 1.96 2rliA31 LYS 196 HB3 -0.01 0.02 0.08 -0.04 1.79 1.84 2rliA31 LYS 196 HG2 0.01 -0.17 -0.00 -0.04 1.46 1.26 2rliA31 LYS 196 HG3 0.01 0.07 -0.11 -0.04 1.46 1.39 2rliA31 LYS 196 HD2 0.00 0.00 0.02 -0.04 1.69 1.67 2rliA31 LYS 196 HD3 0.01 0.00 0.00 -0.04 1.68 1.66 2rliA31 LYS 196 HE2 0.01 0.02 -0.03 -0.04 2.99 2.95 2rliA31 LYS 196 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 2rliA31 GLN 197 H 0.01 0.18 -0.47 -0.55 8.47 7.65 2rliA31 GLN 197 HA 0.04 0.10 0.58 -0.75 4.36 4.32 2rliA31 GLN 197 HB2 0.04 -0.14 0.13 -0.04 2.15 2.13 2rliA31 GLN 197 HB3 0.05 0.01 -0.07 -0.04 2.02 1.97 2rliA31 GLN 197 HG2 0.07 0.06 0.10 -0.04 2.40 2.59 2rliA31 GLN 197 HG3 0.10 -0.06 -0.08 -0.04 2.39 2.31 2rliA31 GLN 197 HE21 0.16 0.54 0.17 -0.04 6.97 7.80 2rliA31 GLN 197 HE22 0.15 -0.05 0.02 -0.04 7.69 7.77 2rliA31 VAL 198 H 0.02 0.61 -0.09 -0.55 8.24 8.23 2rliA31 VAL 198 HA 0.04 0.02 0.25 -0.75 4.13 3.69 2rliA31 VAL 198 HB 0.02 0.02 0.04 -0.04 2.12 2.16 2rliA31 VAL 198 HG13 0.06 0.02 -0.14 -0.04 0.97 0.87 2rliA31 VAL 198 HG23 0.04 0.02 -0.20 -0.04 0.95 0.77 2rliA31 ALA 199 H -0.04 0.58 -0.12 -0.55 8.40 8.28 2rliA31 ALA 199 HA -0.16 0.04 0.43 -0.75 4.34 3.90 2rliA31 ALA 199 HB3 -0.18 0.02 0.06 -0.04 1.41 1.27 2rliA31 GLN 200 H -0.08 0.33 -0.29 -0.55 8.47 7.88 2rliA31 GLN 200 HA -0.10 0.05 0.43 -0.75 4.36 3.99 2rliA31 GLN 200 HB2 -0.01 -0.01 0.12 -0.04 2.15 2.22 2rliA31 GLN 200 HB3 -0.03 0.09 0.16 -0.04 2.02 2.19 2rliA31 GLN 200 HG2 0.04 -0.04 0.08 -0.04 2.40 2.44 2rliA31 GLN 200 HG3 0.04 0.13 -0.01 -0.04 2.39 2.51 2rliA31 GLN 200 HE21 0.03 0.00 -0.12 -0.04 6.97 6.85 2rliA31 GLN 200 HE22 0.08 0.38 0.14 -0.04 7.69 8.24 2rliA31 ALA 201 H 0.00 0.43 -0.30 -0.55 8.40 7.99 2rliA31 ALA 201 HA -0.07 0.04 0.63 -0.75 4.34 4.18 2rliA31 ALA 201 HB3 0.13 0.02 0.03 -0.04 1.41 1.54 2rliA31 SER 202 H 0.05 0.64 0.05 -0.55 8.46 8.66 2rliA31 SER 202 HA 0.05 -0.02 0.26 -0.75 4.49 4.03 2rliA31 SER 202 HB2 0.07 0.05 0.12 -0.04 3.95 4.15 2rliA31 SER 202 HB3 0.13 0.05 0.00 -0.04 3.93 4.07 2rliA31 HIS 203 H 0.06 0.55 -0.17 -0.55 8.41 8.30 2rliA31 HIS 203 HA -0.05 0.05 0.50 -0.75 4.63 4.37 2rliA31 HIS 203 HB2 -0.03 0.04 0.06 -0.04 3.26 3.30 2rliA31 HIS 203 HB3 -0.04 -0.02 -0.01 -0.04 3.20 3.09 2rliA31 HIS 203 HD2 -0.06 -0.04 -0.11 -0.04 6.97 6.71 2rliA31 HIS 203 HE1 -0.03 -0.05 -0.03 -0.04 7.75 7.60 2rliA31 SER 204 H -0.03 0.24 -0.51 -0.55 8.46 7.61 2rliA31 SER 204 HA -0.08 0.07 0.61 -0.75 4.49 4.33 2rliA31 SER 204 HB2 -0.48 0.05 0.17 -0.04 3.95 3.65 2rliA31 SER 204 HB3 -0.27 -0.07 0.00 -0.04 3.93 3.55 2rliA31 TYR 205 H -0.13 0.56 0.01 -0.55 8.29 8.18 2rliA31 TYR 205 HA -0.22 0.11 0.46 -0.75 4.56 4.15 2rliA31 TYR 205 HB2 -0.36 0.02 -0.04 -0.04 3.06 2.63 2rliA31 TYR 205 HB3 -0.59 -0.07 0.02 -0.04 2.98 2.31 2rliA31 TYR 205 HD2 -0.08 0.00 -0.16 -0.04 7.15 6.87 2rliA31 TYR 205 HE2 -0.20 -0.03 -0.09 -0.04 6.85 6.49 2rliA31 ARG 206 H -0.07 0.37 -0.30 -0.55 8.46 7.90 2rliA31 ARG 206 HA -0.07 0.07 0.27 -0.75 4.34 3.85 2rliA31 ARG 206 HB2 -0.10 0.05 -0.53 -0.04 1.90 1.28 2rliA31 ARG 206 HB3 -0.08 -0.07 -0.06 -0.04 1.80 1.54 2rliA31 ARG 206 HG2 -0.05 0.19 -0.09 -0.04 1.67 1.68 2rliA31 ARG 206 HG3 -0.03 -0.03 -0.07 -0.04 1.67 1.50 2rliA31 ARG 206 HD2 -0.05 -0.00 0.06 -0.04 3.22 3.19 2rliA31 ARG 206 HD3 -0.06 -0.01 0.02 -0.04 3.22 3.13 2rliA31 VAL 207 H -0.39 0.38 -0.51 -0.55 8.24 7.17 2rliA31 VAL 207 HA -0.15 -0.01 0.40 -0.75 4.13 3.62 2rliA31 VAL 207 HB -0.78 0.07 0.05 -0.04 2.12 1.42 2rliA31 VAL 207 HG13 -0.84 -0.04 -0.14 -0.04 0.97 -0.09 2rliA31 VAL 207 HG23 -0.09 0.01 -0.03 -0.04 0.95 0.79 2rliA31 TYR 208 H 0.12 0.10 0.19 -0.55 8.29 8.15 2rliA31 TYR 208 HA -0.05 0.15 0.69 -0.75 4.56 4.59 2rliA31 TYR 208 HB2 -0.04 0.10 0.07 -0.04 3.06 3.15 2rliA31 TYR 208 HB3 0.00 -0.06 0.14 -0.04 2.98 3.02 2rliA31 TYR 208 HD2 -0.02 0.01 -0.12 -0.04 7.15 6.97 2rliA31 TYR 208 HE2 -0.03 -0.03 -0.06 -0.04 6.85 6.69 2rliA31 TYR 209 H -0.61 0.32 0.20 -0.55 8.29 7.64 2rliA31 TYR 209 HA -0.09 0.08 0.57 -0.75 4.56 4.36 2rliA31 TYR 209 HB2 -0.05 -0.06 -0.00 -0.04 3.06 2.91 2rliA31 TYR 209 HB3 -0.04 0.09 -0.25 -0.04 2.98 2.75 2rliA31 TYR 209 HD2 -0.11 0.01 -0.36 -0.04 7.15 6.65 2rliA31 TYR 209 HE2 -0.10 0.04 -0.10 -0.04 6.85 6.65 2rliA31 ASN 210 H 0.06 0.22 0.17 -0.55 8.53 8.43 2rliA31 ASN 210 HA -0.17 0.15 0.54 -0.75 4.76 4.52 2rliA31 ASN 210 HB2 -0.10 0.01 0.13 -0.04 2.88 2.87 2rliA31 ASN 210 HB3 -0.22 0.11 -0.15 -0.04 2.79 2.48 2rliA31 ASN 210 HD21 0.07 0.02 -0.18 -0.04 7.03 6.90 2rliA31 ASN 210 HD22 0.12 0.01 -0.07 -0.04 7.74 7.76 2rliA31 ALA 211 H -0.13 0.30 0.18 -0.55 8.40 8.20 2rliA31 ALA 211 HA -0.18 0.07 0.68 -0.75 4.34 4.16 2rliA31 ALA 211 HB3 -0.17 0.04 -0.14 -0.04 1.41 1.10 2rliA31 GLY 212 H -2.20 0.13 0.13 -0.55 8.43 5.94 2rliA31 GLY 212 HA2 -0.38 0.20 0.77 -0.51 4.01 4.08 2rliA31 GLY 212 HA3 -0.82 -0.04 0.34 -0.51 4.01 2.98 2rliA31 PRO 213 HA -0.12 0.15 0.27 -0.51 4.44 4.24 2rliA31 PRO 213 HB2 -0.05 0.04 -0.03 -0.04 2.28 2.20 2rliA31 PRO 213 HB3 -0.07 0.08 0.08 -0.04 2.02 2.07 2rliA31 PRO 213 HG2 -0.05 -0.04 -0.02 -0.04 2.03 1.87 2rliA31 PRO 213 HG3 -0.05 0.11 0.04 -0.04 2.03 2.09 2rliA31 PRO 213 HD2 -0.12 0.06 0.20 -0.04 3.68 3.77 2rliA31 PRO 213 HD3 -0.13 0.22 0.20 -0.04 3.65 3.91 2rliA31 LYS 214 H -0.08 0.10 -0.27 -0.55 8.42 7.62 2rliA31 LYS 214 HA 0.02 -0.13 0.29 -0.75 4.32 3.75 2rliA31 LYS 214 HB2 -0.05 0.17 -0.38 -0.04 1.87 1.56 2rliA31 LYS 214 HB3 -0.01 0.17 0.00 -0.04 1.79 1.91 2rliA31 LYS 214 HG2 0.04 -0.17 -0.02 -0.04 1.46 1.26 2rliA31 LYS 214 HG3 0.10 -0.14 -0.16 -0.04 1.46 1.22 2rliA31 LYS 214 HD2 0.02 0.00 -0.11 -0.04 1.69 1.57 2rliA31 LYS 214 HD3 0.05 0.09 -0.22 -0.04 1.68 1.55 2rliA31 LYS 214 HE2 0.06 -0.06 -0.03 -0.04 2.99 2.92 2rliA31 LYS 214 HE3 0.00 -0.04 -0.04 -0.04 2.99 2.87 2rliA31 ASP 215 H -0.02 0.57 -0.46 -0.55 8.40 7.94 2rliA31 ASP 215 HA 0.00 0.09 0.42 -0.75 4.63 4.39 2rliA31 ASP 215 HB2 -0.01 0.05 0.11 -0.04 2.71 2.82 2rliA31 ASP 215 HB3 -0.01 0.01 0.13 -0.04 2.70 2.78 2rliA31 GLU 216 H 0.01 0.36 -0.00 -0.55 8.60 8.42 2rliA31 GLU 216 HA 0.00 0.17 0.61 -0.75 4.29 4.31 2rliA31 GLU 216 HB2 0.00 0.05 -0.04 -0.04 2.09 2.05 2rliA31 GLU 216 HB3 -0.00 0.07 -0.25 -0.04 1.99 1.76 2rliA31 GLU 216 HG2 0.00 -0.18 -0.40 -0.04 2.34 1.72 2rliA31 GLU 216 HG3 0.02 -0.04 -0.07 -0.04 2.34 2.21 2rliA31 ASP 217 H 0.02 0.07 0.08 -0.55 8.40 8.02 2rliA31 ASP 217 HA 0.01 0.20 0.81 -0.75 4.63 4.90 2rliA31 ASP 217 HB2 0.02 0.05 -0.26 -0.04 2.71 2.48 2rliA31 ASP 217 HB3 0.03 -0.22 0.12 -0.04 2.70 2.59 2rliA31 GLN 218 H 0.03 -0.03 0.16 -0.55 8.47 8.09 2rliA31 GLN 218 HA 0.04 0.07 0.42 -0.75 4.36 4.13 2rliA31 GLN 218 HB2 0.02 -0.06 -0.42 -0.04 2.15 1.65 2rliA31 GLN 218 HB3 0.02 0.11 0.25 -0.04 2.02 2.36 2rliA31 GLN 218 HG2 0.02 -0.02 -0.17 -0.04 2.40 2.20 2rliA31 GLN 218 HG3 0.02 -0.01 -0.09 -0.04 2.39 2.26 2rliA31 GLN 218 HE21 0.03 0.00 -0.06 -0.04 6.97 6.90 2rliA31 GLN 218 HE22 0.02 -0.00 -0.05 -0.04 7.69 7.61 2rliA31 ASP 219 H 0.07 -0.04 0.13 -0.55 8.40 8.01 2rliA31 ASP 219 HA 0.04 0.16 0.48 -0.75 4.63 4.56 2rliA31 ASP 219 HB2 0.02 0.03 0.08 -0.04 2.71 2.80 2rliA31 ASP 219 HB3 0.02 0.22 -0.03 -0.04 2.70 2.87 2rliA31 TYR 220 H 0.10 0.01 0.16 -0.55 8.29 8.01 2rliA31 TYR 220 HA -0.04 -0.01 0.38 -0.75 4.56 4.14 2rliA31 TYR 220 HB2 -0.04 -0.14 0.15 -0.04 3.06 2.99 2rliA31 TYR 220 HB3 -0.06 0.11 0.13 -0.04 2.98 3.11 2rliA31 TYR 220 HD2 -0.08 -0.00 -0.14 -0.04 7.15 6.88 2rliA31 TYR 220 HE2 -0.05 0.05 0.05 -0.04 6.85 6.86 2rliA31 ILE 221 H -0.21 0.05 0.09 -0.55 8.25 7.63 2rliA31 ILE 221 HA -0.32 0.19 0.85 -0.75 4.18 4.15 2rliA31 ILE 221 HB 0.08 -0.03 0.15 -0.04 1.89 2.05 2rliA31 ILE 221 HG12 -0.02 0.01 0.03 -0.04 1.49 1.47 2rliA31 ILE 221 HG13 -0.16 -0.07 0.08 -0.04 1.21 1.02 2rliA31 ILE 221 HG23 0.13 0.01 0.05 -0.04 0.93 1.08 2rliA31 ILE 221 HD13 -0.08 -0.00 -0.22 -0.04 0.88 0.54 2rliA31 VAL 222 H -0.71 0.13 0.20 -0.55 8.24 7.31 2rliA31 VAL 222 HA -0.01 0.17 0.84 -0.75 4.13 4.37 2rliA31 VAL 222 HB -0.01 0.07 0.07 -0.04 2.12 2.21 2rliA31 VAL 222 HG13 -0.04 0.02 -0.05 -0.04 0.97 0.86 2rliA31 VAL 222 HG23 -0.43 -0.01 0.03 -0.04 0.95 0.49 2rliA31 ASP 223 H 0.00 0.22 0.12 -0.55 8.40 8.20 2rliA31 ASP 223 HA -0.10 0.10 0.40 -0.75 4.63 4.27 2rliA31 ASP 223 HB2 -0.03 0.00 0.07 -0.04 2.71 2.71 2rliA31 ASP 223 HB3 0.03 0.02 0.21 -0.04 2.70 2.92 2rliA31 HIS 224 H -0.37 0.29 0.10 -0.55 8.41 7.89 2rliA31 HIS 224 HA 0.09 0.08 0.53 -0.75 4.63 4.57 2rliA31 HIS 224 HB2 0.04 0.09 -0.00 -0.04 3.26 3.35 2rliA31 HIS 224 HB3 0.04 -0.03 0.01 -0.04 3.20 3.17 2rliA31 HIS 224 HD2 0.28 -0.05 0.07 -0.04 6.97 7.22 2rliA31 HIS 224 HE1 0.16 -0.14 0.05 -0.04 7.75 7.77 2rliA31 SER 225 H 0.17 0.21 0.20 -0.55 8.46 8.49 2rliA31 SER 225 HA 0.13 0.11 0.49 -0.75 4.49 4.46 2rliA31 SER 225 HB2 0.10 0.06 0.12 -0.04 3.95 4.18 2rliA31 SER 225 HB3 0.12 -0.01 0.24 -0.04 3.93 4.24 2rliA31 ILE 226 H 0.10 0.11 0.09 -0.55 8.25 8.00 2rliA31 ILE 226 HA 0.06 0.14 0.85 -0.75 4.18 4.48 2rliA31 ILE 226 HB -0.02 0.06 0.02 -0.04 1.89 1.91 2rliA31 ILE 226 HG12 0.09 -0.04 0.12 -0.04 1.49 1.61 2rliA31 ILE 226 HG13 0.09 -0.01 0.18 -0.04 1.21 1.43 2rliA31 ILE 226 HG23 0.14 -0.02 -0.23 -0.04 0.93 0.78 2rliA31 ILE 226 HD13 0.01 0.01 0.00 -0.04 0.88 0.86 2rliA31 ALA 227 H 0.09 0.31 0.22 -0.55 8.40 8.47 2rliA31 ALA 227 HA 0.28 0.16 0.70 -0.75 4.34 4.73 2rliA31 ALA 227 HB3 0.02 -0.01 -0.03 -0.04 1.41 1.35 2rliA31 ILE 228 H -0.08 0.23 0.05 -0.55 8.25 7.90 2rliA31 ILE 228 HA 0.06 0.37 0.92 -0.75 4.18 4.77 2rliA31 ILE 228 HB 0.02 -0.13 0.08 -0.04 1.89 1.82 2rliA31 ILE 228 HG12 0.12 -0.07 -0.23 -0.04 1.49 1.28 2rliA31 ILE 228 HG13 0.06 -0.05 -0.10 -0.04 1.21 1.08 2rliA31 ILE 228 HG23 0.01 0.00 -0.16 -0.04 0.93 0.74 2rliA31 ILE 228 HD13 -0.09 0.03 -0.12 -0.04 0.88 0.66 2rliA31 TYR 229 H 0.07 0.65 0.34 -0.55 8.29 8.80 2rliA31 TYR 229 HA -0.11 0.16 1.01 -0.75 4.56 4.87 2rliA31 TYR 229 HB2 -0.13 -0.02 0.06 -0.04 3.06 2.94 2rliA31 TYR 229 HB3 -0.20 0.06 -0.06 -0.04 2.98 2.73 2rliA31 TYR 229 HD2 -0.19 0.06 -0.27 -0.04 7.15 6.71 2rliA31 TYR 229 HE2 -0.42 0.02 -0.14 -0.04 6.85 6.27 2rliA31 LEU 230 H -0.11 0.57 0.35 -0.55 8.37 8.63 2rliA31 LEU 230 HA -0.24 0.21 0.93 -0.75 4.35 4.50 2rliA31 LEU 230 HB2 -0.32 -0.03 0.08 -0.04 1.64 1.32 2rliA31 LEU 230 HB3 -0.38 -0.16 0.22 -0.04 1.64 1.28 2rliA31 LEU 230 HG -0.82 -0.02 -0.05 -0.04 1.64 0.71 2rliA31 LEU 230 HD13 -1.50 0.04 -0.23 -0.04 0.93 -0.81 2rliA31 LEU 230 HD23 -0.21 0.02 -0.12 -0.04 0.89 0.53 2rliA31 LEU 231 H -0.19 0.67 0.41 -0.55 8.37 8.71 2rliA31 LEU 231 HA -0.05 0.18 0.92 -0.75 4.35 4.64 2rliA31 LEU 231 HB2 -0.08 -0.06 0.04 -0.04 1.64 1.50 2rliA31 LEU 231 HB3 -0.09 -0.01 0.15 -0.04 1.64 1.64 2rliA31 LEU 231 HG 0.02 -0.06 -0.08 -0.04 1.64 1.48 2rliA31 LEU 231 HD13 0.05 0.01 -0.09 -0.04 0.93 0.86 2rliA31 LEU 231 HD23 0.12 0.03 -0.20 -0.04 0.89 0.80 2rliA31 ASN 232 H -0.15 0.66 0.32 -0.55 8.53 8.82 2rliA31 ASN 232 HA -0.64 0.12 0.35 -0.75 4.76 3.83 2rliA31 ASN 232 HB2 -0.49 0.07 0.08 -0.04 2.88 2.50 2rliA31 ASN 232 HB3 -0.33 0.02 -0.00 -0.04 2.79 2.44 2rliA31 ASN 232 HD21 -0.19 0.09 -0.06 -0.04 7.03 6.84 2rliA31 ASN 232 HD22 0.03 -0.01 -0.08 -0.04 7.74 7.65 2rliA31 PRO 233 HA 0.17 0.07 0.53 -0.51 4.44 4.70 2rliA31 PRO 233 HB2 0.22 0.00 0.09 -0.04 2.28 2.56 2rliA31 PRO 233 HB3 0.33 0.30 -0.03 -0.04 2.02 2.58 2rliA31 PRO 233 HG2 0.39 0.00 -0.05 -0.04 2.03 2.33 2rliA31 PRO 233 HG3 0.53 0.09 0.03 -0.04 2.03 2.64 2rliA31 PRO 233 HD2 -0.04 0.03 0.13 -0.04 3.68 3.76 2rliA31 PRO 233 HD3 0.25 0.15 0.15 -0.04 3.65 4.16 2rliA31 ASP 234 H 0.07 -0.11 -0.41 -0.55 8.40 7.40 2rliA31 ASP 234 HA 0.10 0.16 0.46 -0.75 4.63 4.59 2rliA31 ASP 234 HB2 0.09 -0.00 0.13 -0.04 2.71 2.89 2rliA31 ASP 234 HB3 0.13 0.12 -0.23 -0.04 2.70 2.68 2rliA31 GLY 235 H 0.06 0.16 -0.03 -0.55 8.43 8.08 2rliA31 GLY 235 HA2 0.10 0.04 0.26 -0.51 4.01 3.90 2rliA31 GLY 235 HA3 0.08 0.14 0.58 -0.51 4.01 4.29 2rliA31 LEU 236 H 0.03 -0.06 -0.04 -0.55 8.37 7.75 2rliA31 LEU 236 HA 0.05 0.21 0.77 -0.75 4.35 4.63 2rliA31 LEU 236 HB2 0.00 0.01 -0.04 -0.04 1.64 1.57 2rliA31 LEU 236 HB3 -0.07 -0.02 -0.08 -0.04 1.64 1.43 2rliA31 LEU 236 HG -0.18 -0.00 0.14 -0.04 1.64 1.56 2rliA31 LEU 236 HD13 -0.03 0.02 0.01 -0.04 0.93 0.89 2rliA31 LEU 236 HD23 -0.05 0.00 -0.02 -0.04 0.89 0.78 2rliA31 PHE 237 H -0.17 0.27 0.20 -0.55 8.34 8.10 2rliA31 PHE 237 HA -0.15 0.23 0.91 -0.75 4.62 4.86 2rliA31 PHE 237 HB2 0.01 0.05 0.08 -0.04 3.15 3.25 2rliA31 PHE 237 HB3 -0.01 -0.02 -0.09 -0.04 3.06 2.90 2rliA31 PHE 237 HD2 0.10 -0.02 -0.17 -0.04 7.28 7.14 2rliA31 PHE 237 HE2 0.08 0.01 -0.08 -0.04 7.38 7.35 2rliA31 PHE 237 HZ -0.01 0.01 -0.06 -0.04 7.32 7.22 2rliA31 THR 238 H -0.06 0.30 0.27 -0.55 8.28 8.24 2rliA31 THR 238 HA -0.18 0.18 0.76 -0.75 4.39 4.39 2rliA31 THR 238 HB -0.34 -0.03 0.10 -0.04 4.32 4.01 2rliA31 THR 238 HG23 -0.25 0.01 -0.03 -0.04 1.22 0.91 2rliA31 ASP 239 H -0.02 0.15 0.30 -0.55 8.40 8.27 2rliA31 ASP 239 HA -0.14 0.16 0.70 -0.75 4.63 4.60 2rliA31 ASP 239 HB2 -0.34 0.14 -0.25 -0.04 2.71 2.22 2rliA31 ASP 239 HB3 -0.25 -0.04 -0.05 -0.04 2.70 2.32 2rliA31 TYR 240 H -0.47 0.26 0.21 -0.55 8.29 7.74 2rliA31 TYR 240 HA -0.55 0.12 0.91 -0.75 4.56 4.29 2rliA31 TYR 240 HB2 -0.90 0.10 0.03 -0.04 3.06 2.25 2rliA31 TYR 240 HB3 -0.61 0.02 -0.07 -0.04 2.98 2.27 2rliA31 TYR 240 HD2 0.03 -0.01 -0.24 -0.04 7.15 6.88 2rliA31 TYR 240 HE2 0.13 0.02 -0.06 -0.04 6.85 6.91 2rliA31 TYR 241 H -0.26 0.65 0.32 -0.55 8.29 8.45 2rliA31 TYR 241 HA -0.04 0.14 0.78 -0.75 4.56 4.68 2rliA31 TYR 241 HB2 -0.04 0.04 0.03 -0.04 3.06 3.05 2rliA31 TYR 241 HB3 -0.02 -0.14 0.09 -0.04 2.98 2.87 2rliA31 TYR 241 HD2 -0.03 0.07 -0.19 -0.04 7.15 6.96 2rliA31 TYR 241 HE2 0.03 0.04 -0.11 -0.04 6.85 6.78 2rliA31 GLY 242 H 0.13 0.10 0.11 -0.55 8.43 8.22 2rliA31 GLY 242 HA2 0.08 0.04 0.31 -0.51 4.01 3.93 2rliA31 GLY 242 HA3 0.09 0.21 0.82 -0.51 4.01 4.61 2rliA31 ARG 243 H 0.08 -0.06 -0.00 -0.55 8.46 7.92 2rliA31 ARG 243 HA 0.05 0.20 0.70 -0.75 4.34 4.54 2rliA31 ARG 243 HB2 0.08 -0.01 -0.07 -0.04 1.90 1.86 2rliA31 ARG 243 HB3 0.05 0.05 -0.03 -0.04 1.80 1.83 2rliA31 ARG 243 HG2 0.07 0.01 -0.14 -0.04 1.67 1.58 2rliA31 ARG 243 HG3 0.07 0.01 -0.02 -0.04 1.67 1.69 2rliA31 ARG 243 HD2 0.05 0.06 0.16 -0.04 3.22 3.45 2rliA31 ARG 243 HD3 0.05 -0.02 0.05 -0.04 3.22 3.26 2rliA31 SER 244 H 0.04 -0.02 0.08 -0.55 8.46 8.01 2rliA31 SER 244 HA -0.00 0.05 0.31 -0.75 4.49 4.09 2rliA31 SER 244 HB2 0.01 0.15 -0.02 -0.04 3.95 4.04 2rliA31 SER 244 HB3 0.00 -0.01 0.09 -0.04 3.93 3.97 2rliA31 ARG 245 H -0.04 0.40 0.20 -0.55 8.46 8.46 2rliA31 ARG 245 HA -0.10 0.10 0.38 -0.75 4.34 3.97 2rliA31 ARG 245 HB2 -0.15 0.03 -0.26 -0.04 1.90 1.47 2rliA31 ARG 245 HB3 -0.31 -0.03 -0.11 -0.04 1.80 1.30 2rliA31 ARG 245 HG2 -0.82 0.01 -0.08 -0.04 1.67 0.74 2rliA31 ARG 245 HG3 -0.29 -0.17 -0.06 -0.04 1.67 1.11 2rliA31 ARG 245 HD2 -0.12 0.02 -0.00 -0.04 3.22 3.08 2rliA31 ARG 245 HD3 -0.08 0.17 0.25 -0.04 3.22 3.52 2rliA31 SER 246 H -0.15 0.27 0.17 -0.55 8.46 8.20 2rliA31 SER 246 HA -0.08 0.17 0.33 -0.75 4.49 4.15 2rliA31 SER 246 HB2 -0.05 0.21 -0.02 -0.04 3.95 4.05 2rliA31 SER 246 HB3 -0.05 -0.06 -0.02 -0.04 3.93 3.75 2rliA31 ALA 247 H -0.05 0.24 0.14 -0.55 8.40 8.18 2rliA31 ALA 247 HA -0.06 0.13 0.26 -0.75 4.34 3.92 2rliA31 ALA 247 HB3 -0.03 0.05 0.13 -0.04 1.41 1.53 2rliA31 GLU 248 H -0.04 0.12 -0.03 -0.55 8.60 8.11 2rliA31 GLU 248 HA -0.03 0.15 0.42 -0.75 4.29 4.07 2rliA31 GLU 248 HB2 -0.02 0.04 0.11 -0.04 2.09 2.17 2rliA31 GLU 248 HB3 -0.03 -0.01 0.06 -0.04 1.99 1.97 2rliA31 GLU 248 HG2 -0.02 0.04 0.00 -0.04 2.34 2.33 2rliA31 GLU 248 HG3 -0.02 -0.00 -0.04 -0.04 2.34 2.23 2rliA31 GLN 249 H -0.07 0.09 -0.20 -0.55 8.47 7.75 2rliA31 GLN 249 HA -0.06 0.11 0.61 -0.75 4.36 4.26 2rliA31 GLN 249 HB2 -0.09 -0.13 0.13 -0.04 2.15 2.02 2rliA31 GLN 249 HB3 -0.09 0.06 0.08 -0.04 2.02 2.03 2rliA31 GLN 249 HG2 -0.05 0.05 -0.00 -0.04 2.40 2.36 2rliA31 GLN 249 HG3 -0.04 0.07 0.03 -0.04 2.39 2.40 2rliA31 GLN 249 HE21 -0.03 0.07 -0.09 -0.04 6.97 6.89 2rliA31 GLN 249 HE22 -0.03 0.02 -0.08 -0.04 7.69 7.56 2rliA31 ILE 250 H -0.13 0.52 -0.15 -0.55 8.25 7.94 2rliA31 ILE 250 HA -0.21 0.05 0.67 -0.75 4.18 3.94 2rliA31 ILE 250 HB -0.11 0.15 0.10 -0.04 1.89 1.99 2rliA31 ILE 250 HG12 -1.03 -0.00 -0.06 -0.04 1.49 0.36 2rliA31 ILE 250 HG13 -0.38 -0.09 -0.09 -0.04 1.21 0.62 2rliA31 ILE 250 HG23 0.04 0.01 -0.11 -0.04 0.93 0.83 2rliA31 ILE 250 HD13 -0.18 -0.01 -0.22 -0.04 0.88 0.43 2rliA31 SER 251 H -0.04 0.51 0.03 -0.55 8.46 8.41 2rliA31 SER 251 HA 0.02 0.05 0.42 -0.75 4.49 4.23 2rliA31 SER 251 HB2 -0.01 0.03 0.16 -0.04 3.95 4.08 2rliA31 SER 251 HB3 -0.02 0.08 0.20 -0.04 3.93 4.16 2rliA31 ASP 252 H -0.03 0.55 -0.06 -0.55 8.40 8.31 2rliA31 ASP 252 HA -0.02 0.07 0.52 -0.75 4.63 4.44 2rliA31 ASP 252 HB2 -0.04 -0.01 0.18 -0.04 2.71 2.79 2rliA31 ASP 252 HB3 -0.03 -0.00 -0.01 -0.04 2.70 2.62 2rliA31 SER 253 H -0.06 0.44 -0.29 -0.55 8.46 8.00 2rliA31 SER 253 HA -0.22 0.01 0.45 -0.75 4.49 3.98 2rliA31 SER 253 HB2 -0.09 0.11 0.20 -0.04 3.95 4.13 2rliA31 SER 253 HB3 -0.00 0.01 0.20 -0.04 3.93 4.10 2rliA31 VAL 254 H 0.05 0.69 -0.14 -0.55 8.24 8.30 2rliA31 VAL 254 HA 0.37 -0.01 0.44 -0.75 4.13 4.18 2rliA31 VAL 254 HB 0.11 0.10 0.14 -0.04 2.12 2.44 2rliA31 VAL 254 HG13 0.12 0.00 -0.11 -0.04 0.97 0.95 2rliA31 VAL 254 HG23 0.33 -0.01 -0.03 -0.04 0.95 1.19 2rliA31 ARG 255 H 0.02 0.48 -0.11 -0.55 8.46 8.30 2rliA31 ARG 255 HA -0.00 0.03 0.42 -0.75 4.34 4.04 2rliA31 ARG 255 HB2 -0.00 0.08 0.20 -0.04 1.90 2.13 2rliA31 ARG 255 HB3 -0.00 -0.03 0.01 -0.04 1.80 1.74 2rliA31 ARG 255 HG2 -0.00 0.08 0.09 -0.04 1.67 1.79 2rliA31 ARG 255 HG3 -0.01 -0.05 0.02 -0.04 1.67 1.59 2rliA31 ARG 255 HD2 -0.01 -0.03 0.03 -0.04 3.22 3.16 2rliA31 ARG 255 HD3 -0.03 0.01 0.00 -0.04 3.22 3.16 2rliA31 ARG 256 H -0.02 0.60 -0.20 -0.55 8.46 8.29 2rliA31 ARG 256 HA 0.04 0.02 0.35 -0.75 4.34 3.99 2rliA31 ARG 256 HB2 -0.04 0.08 0.10 -0.04 1.90 2.00 2rliA31 ARG 256 HB3 -0.14 0.02 0.16 -0.04 1.80 1.80 2rliA31 ARG 256 HG2 0.00 -0.04 -0.03 -0.04 1.67 1.55 2rliA31 ARG 256 HG3 0.07 -0.00 -0.12 -0.04 1.67 1.58 2rliA31 ARG 256 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.17 2rliA31 ARG 256 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.15 2rliA31 HIS 257 H 0.01 0.72 -0.01 -0.55 8.41 8.59 2rliA31 HIS 257 HA 0.17 0.01 0.38 -0.75 4.63 4.44 2rliA31 HIS 257 HB2 0.41 0.10 0.18 -0.04 3.26 3.92 2rliA31 HIS 257 HB3 0.29 -0.06 0.04 -0.04 3.20 3.42 2rliA31 HIS 257 HD2 0.12 -0.05 -0.11 -0.04 6.97 6.88 2rliA31 HIS 257 HE1 0.04 -0.01 -0.02 -0.04 7.75 7.72 2rliA31 MET 258 H 0.26 0.60 -0.12 -0.55 8.47 8.67 2rliA31 MET 258 HA 0.24 -0.02 0.49 -0.75 4.52 4.48 2rliA31 MET 258 HB2 -0.22 0.02 0.11 -0.04 2.15 2.02 2rliA31 MET 258 HB3 -0.01 0.14 0.17 -0.04 2.03 2.30 2rliA31 MET 258 HG2 -0.02 -0.03 -0.21 -0.04 2.63 2.33 2rliA31 MET 258 HG3 -0.07 -0.04 0.02 -0.04 2.56 2.42 2rliA31 MET 258 HE3 -0.08 -0.00 -0.02 -0.04 2.10 1.96 2rliA31 ALA 259 H 0.10 0.57 -0.17 -0.55 8.40 8.35 2rliA31 ALA 259 HA 0.05 0.07 0.39 -0.75 4.34 4.10 2rliA31 ALA 259 HB3 0.04 -0.01 0.13 -0.04 1.41 1.53 2rliA31 ALA 260 H 0.19 0.27 -0.41 -0.55 8.40 7.89 2rliA31 ALA 260 HA 0.10 0.09 0.82 -0.75 4.34 4.59 2rliA31 ALA 260 HB3 0.17 -0.02 0.05 -0.04 1.41 1.57 2rliA31 PHE 261 H 0.32 0.44 0.13 -0.55 8.34 8.68 2rliA31 PHE 261 HA 0.08 0.05 0.58 -0.75 4.62 4.57 2rliA31 PHE 261 HB2 0.17 -0.06 0.09 -0.04 3.15 3.32 2rliA31 PHE 261 HB3 0.21 0.09 0.24 -0.04 3.06 3.56 2rliA31 PHE 261 HD2 0.16 0.01 0.01 -0.04 7.28 7.42 2rliA31 PHE 261 HE2 0.16 0.01 -0.03 -0.04 7.38 7.47 2rliA31 PHE 261 HZ 0.14 -0.02 -0.05 -0.04 7.32 7.35 2rliA31 ARG 262 H 0.05 0.28 0.19 -0.55 8.46 8.42 2rliA31 ARG 262 HA -0.25 0.10 0.60 -0.75 4.34 4.04 2rliA31 ARG 262 HB2 -1.91 -0.05 -0.45 -0.04 1.90 -0.55 2rliA31 ARG 262 HB3 -0.47 -0.00 0.04 -0.04 1.80 1.33 2rliA31 ARG 262 HG2 -0.24 -0.04 0.11 -0.04 1.67 1.46 2rliA31 ARG 262 HG3 -0.42 0.11 0.11 -0.04 1.67 1.44 2rliA31 ARG 262 HD2 -0.67 -0.02 -0.04 -0.04 3.22 2.45 2rliA31 ARG 262 HD3 -0.19 -0.02 0.02 -0.04 3.22 2.99 2rliA31 SER 263 H -0.00 0.33 0.24 -0.55 8.46 8.48 2rliA31 SER 263 HA -0.03 0.11 0.26 -0.75 4.49 4.07 2rliA31 SER 263 HB2 -0.03 0.12 0.03 -0.04 3.95 4.03 2rliA31 SER 263 HB3 -0.01 0.02 -0.06 -0.04 3.93 3.84 2rliA31 VAL 264 H -0.01 0.15 0.07 -0.55 8.24 7.89 2rliA31 VAL 264 HA -0.00 0.01 0.39 -0.75 4.13 3.77 2rliA31 VAL 264 HB 0.02 0.11 0.24 -0.04 2.12 2.45 2rliA31 VAL 264 HG13 0.01 -0.06 -0.01 -0.04 0.97 0.86 2rliA31 VAL 264 HG23 -0.00 0.00 -0.12 -0.04 0.95 0.79 2rliA31 LEU 265 H 0.02 0.58 0.44 -0.55 8.37 8.86 2rliA31 LEU 265 HA 0.02 0.14 0.37 -0.75 4.35 4.12 2rliA31 LEU 265 HB2 -0.00 0.05 -0.20 -0.04 1.64 1.44 2rliA31 LEU 265 HB3 0.00 -0.05 0.12 -0.04 1.64 1.67 2rliA31 LEU 265 HG -0.01 -0.06 -0.53 -0.04 1.64 1.00 2rliA31 LEU 265 HD13 -0.02 -0.02 -0.15 -0.04 0.93 0.70 2rliA31 LEU 265 HD23 0.01 0.07 -0.13 -0.04 0.89 0.80 2rliA31 SER 266 H 0.01 0.08 -0.44 -0.55 8.46 7.56 2rliA31 SER 266 HA 0.00 0.18 0.49 -0.75 4.49 4.41 2rliA31 SER 266 HB2 0.00 -0.05 -0.04 -0.04 3.95 3.83 2rliA31 SER 266 HB3 0.00 -0.04 0.01 -0.04 3.93 3.87