============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TYR 9 0.840 115.909 -34.866 -1.140 -99.200 -91.000 HIS 25 0.900 100.887 -49.609 -12.345 -99.200 -91.000 PHE 29 1.000 100.799 -37.005 -5.521 -99.200 -91.000 PHE 31 1.000 98.070 -32.681 0.317 -99.200 -91.000 TRP 38 1.040 94.355 -39.556 2.185 -99.200 -91.000 TRP6 38 1.020 93.680 -39.311 4.470 -99.200 -91.000 HIS 44 0.900 103.178 -38.863 -17.722 -99.200 -91.000 HIS 47 0.900 94.394 -45.117 -13.201 -99.200 -91.000 HIS 53 0.900 90.915 -37.760 5.162 -99.200 -91.000 HIS 66 0.900 87.002 -27.695 -10.925 -99.200 -91.000 PHE 77 1.000 99.748 -30.137 -7.209 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fv4A14 ASN 133 H -0.03 0.08 0.18 -0.55 8.53 8.21 2fv4A14 ASN 133 HA -0.02 0.07 0.18 -0.75 4.76 4.23 2fv4A14 ASN 133 HB2 -0.02 0.10 0.08 -0.04 2.88 3.01 2fv4A14 ASN 133 HB3 -0.02 -0.14 0.02 -0.04 2.79 2.60 2fv4A14 ASN 133 HD21 -0.01 0.05 0.05 -0.04 7.03 7.07 2fv4A14 ASN 133 HD22 -0.01 0.06 0.06 -0.04 7.74 7.81 2fv4A14 ASP 134 H -0.02 0.23 0.12 -0.55 8.40 8.19 2fv4A14 ASP 134 HA -0.05 0.10 0.41 -0.75 4.63 4.34 2fv4A14 ASP 134 HB2 -0.01 0.06 0.16 -0.04 2.71 2.88 2fv4A14 ASP 134 HB3 -0.02 -0.00 0.11 -0.04 2.70 2.74 2fv4A14 ALA 135 H -0.03 0.09 -0.21 -0.55 8.40 7.70 2fv4A14 ALA 135 HA -0.05 0.10 0.38 -0.75 4.34 4.02 2fv4A14 ALA 135 HB3 -0.03 0.03 0.03 -0.04 1.41 1.40 2fv4A14 ALA 136 H -0.06 0.10 -0.41 -0.55 8.40 7.48 2fv4A14 ALA 136 HA -0.06 0.10 0.47 -0.75 4.34 4.10 2fv4A14 ALA 136 HB3 -0.05 0.04 0.10 -0.04 1.41 1.46 2fv4A14 GLU 137 H -0.13 0.46 -0.02 -0.55 8.60 8.36 2fv4A14 GLU 137 HA -0.25 0.05 0.42 -0.75 4.29 3.77 2fv4A14 GLU 137 HB2 -0.14 0.01 0.13 -0.04 2.09 2.06 2fv4A14 GLU 137 HB3 -0.34 0.05 0.10 -0.04 1.99 1.76 2fv4A14 GLU 137 HG2 -0.41 -0.00 0.00 -0.04 2.34 1.89 2fv4A14 GLU 137 HG3 -0.07 0.00 0.04 -0.04 2.34 2.28 2fv4A14 VAL 138 H -0.29 0.67 -0.06 -0.55 8.24 8.01 2fv4A14 VAL 138 HA -0.52 0.01 0.40 -0.75 4.13 3.27 2fv4A14 VAL 138 HB -0.09 0.05 0.12 -0.04 2.12 2.16 2fv4A14 VAL 138 HG13 0.03 -0.01 0.01 -0.04 0.97 0.96 2fv4A14 VAL 138 HG23 -0.05 -0.03 0.01 -0.04 0.95 0.83 2fv4A14 ALA 139 H -0.15 0.35 -0.56 -0.55 8.40 7.49 2fv4A14 ALA 139 HA -0.03 -0.02 0.47 -0.75 4.34 4.00 2fv4A14 ALA 139 HB3 -0.04 0.06 0.17 -0.04 1.41 1.56 2fv4A14 LEU 140 H -0.14 0.48 -0.11 -0.55 8.37 8.05 2fv4A14 LEU 140 HA 0.02 -0.00 0.42 -0.75 4.35 4.04 2fv4A14 LEU 140 HB2 -0.09 0.17 0.23 -0.04 1.64 1.91 2fv4A14 LEU 140 HB3 0.09 -0.03 0.00 -0.04 1.64 1.67 2fv4A14 LEU 140 HG -0.01 -0.03 0.03 -0.04 1.64 1.59 2fv4A14 LEU 140 HD13 0.02 -0.01 0.02 -0.04 0.93 0.93 2fv4A14 LEU 140 HD23 -0.03 0.05 0.02 -0.04 0.89 0.89 2fv4A14 TYR 141 H -0.08 0.38 -0.28 -0.55 8.29 7.76 2fv4A14 TYR 141 HA 0.02 0.01 0.41 -0.75 4.56 4.25 2fv4A14 TYR 141 HB2 0.02 0.15 0.21 -0.04 3.06 3.40 2fv4A14 TYR 141 HB3 0.03 -0.03 0.04 -0.04 2.98 2.97 2fv4A14 TYR 141 HD2 0.02 -0.04 -0.06 -0.04 7.15 7.03 2fv4A14 TYR 141 HE2 0.01 -0.03 -0.04 -0.04 6.85 6.75 2fv4A14 GLU 142 H 0.11 0.54 -0.06 -0.55 8.60 8.64 2fv4A14 GLU 142 HA 0.09 0.13 0.56 -0.75 4.29 4.32 2fv4A14 GLU 142 HB2 0.04 -0.00 0.22 -0.04 2.09 2.31 2fv4A14 GLU 142 HB3 0.05 -0.03 0.02 -0.04 1.99 1.99 2fv4A14 GLU 142 HG2 0.08 -0.01 0.06 -0.04 2.34 2.44 2fv4A14 GLU 142 HG3 0.08 0.22 0.14 -0.04 2.34 2.74 2fv4A14 ARG 143 H 0.04 0.49 0.12 -0.55 8.46 8.56 2fv4A14 ARG 143 HA 0.04 -0.01 0.41 -0.75 4.34 4.03 2fv4A14 ARG 143 HB2 0.03 0.08 0.11 -0.04 1.90 2.08 2fv4A14 ARG 143 HB3 0.03 -0.03 0.04 -0.04 1.80 1.79 2fv4A14 ARG 143 HG2 0.02 -0.04 0.07 -0.04 1.67 1.68 2fv4A14 ARG 143 HG3 0.02 0.04 0.16 -0.04 1.67 1.84 2fv4A14 ARG 143 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 2fv4A14 ARG 143 HD3 0.01 -0.04 0.02 -0.04 3.22 3.17 2fv4A14 LEU 144 H 0.07 0.40 -0.34 -0.55 8.37 7.95 2fv4A14 LEU 144 HA 0.04 0.09 0.69 -0.75 4.35 4.42 2fv4A14 LEU 144 HB2 0.07 0.21 0.10 -0.04 1.64 1.98 2fv4A14 LEU 144 HB3 0.04 -0.07 0.07 -0.04 1.64 1.65 2fv4A14 LEU 144 HG 0.05 -0.03 0.05 -0.04 1.64 1.67 2fv4A14 LEU 144 HD13 0.05 -0.03 0.02 -0.04 0.93 0.93 2fv4A14 LEU 144 HD23 0.03 -0.01 -0.05 -0.04 0.89 0.82 2fv4A14 LEU 145 H 0.07 0.33 -0.19 -0.55 8.37 8.03 2fv4A14 LEU 145 HA 0.03 0.09 0.67 -0.75 4.35 4.39 2fv4A14 LEU 145 HB2 0.08 0.18 0.28 -0.04 1.64 2.13 2fv4A14 LEU 145 HB3 0.05 -0.10 0.16 -0.04 1.64 1.71 2fv4A14 LEU 145 HG 0.07 0.02 0.13 -0.04 1.64 1.81 2fv4A14 LEU 145 HD13 0.01 -0.07 0.08 -0.04 0.93 0.91 2fv4A14 LEU 145 HD23 -0.00 -0.03 -0.01 -0.04 0.89 0.81 2fv4A14 GLN 146 H 0.06 0.29 -0.29 -0.55 8.47 8.00 2fv4A14 GLN 146 HA 0.08 -0.03 0.31 -0.75 4.36 3.97 2fv4A14 GLN 146 HB2 0.06 0.18 -0.22 -0.04 2.15 2.13 2fv4A14 GLN 146 HB3 0.10 -0.09 0.14 -0.04 2.02 2.13 2fv4A14 GLN 146 HG2 0.05 0.10 -0.26 -0.04 2.40 2.25 2fv4A14 GLN 146 HG3 0.04 -0.01 -0.11 -0.04 2.39 2.27 2fv4A14 GLN 146 HE21 0.04 -0.13 0.07 -0.04 6.97 6.91 2fv4A14 GLN 146 HE22 0.04 0.26 0.09 -0.04 7.69 8.03 2fv4A14 LEU 147 H 0.10 0.11 -0.55 -0.55 8.37 7.48 2fv4A14 LEU 147 HA 0.22 0.37 0.98 -0.75 4.35 5.17 2fv4A14 LEU 147 HB2 0.16 0.13 -0.09 -0.04 1.64 1.80 2fv4A14 LEU 147 HB3 0.13 -0.07 0.06 -0.04 1.64 1.71 2fv4A14 LEU 147 HG 0.29 0.04 -0.08 -0.04 1.64 1.84 2fv4A14 LEU 147 HD13 0.28 -0.01 -0.05 -0.04 0.93 1.10 2fv4A14 LEU 147 HD23 0.22 -0.04 -0.21 -0.04 0.89 0.83 2fv4A14 ARG 148 H 0.11 0.61 0.30 -0.55 8.46 8.92 2fv4A14 ARG 148 HA 0.06 0.13 0.94 -0.75 4.34 4.72 2fv4A14 ARG 148 HB2 0.04 0.01 -0.05 -0.04 1.90 1.86 2fv4A14 ARG 148 HB3 -0.01 -0.00 -0.02 -0.04 1.80 1.74 2fv4A14 ARG 148 HG2 -0.02 0.02 -0.09 -0.04 1.67 1.54 2fv4A14 ARG 148 HG3 0.02 -0.03 0.07 -0.04 1.67 1.68 2fv4A14 ARG 148 HD2 0.00 -0.00 -0.07 -0.04 3.22 3.11 2fv4A14 ARG 148 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 2fv4A14 VAL 149 H 0.03 0.15 0.13 -0.55 8.24 8.00 2fv4A14 VAL 149 HA -0.06 0.15 0.75 -0.75 4.13 4.21 2fv4A14 VAL 149 HB 0.02 -0.02 0.18 -0.04 2.12 2.26 2fv4A14 VAL 149 HG13 -0.06 -0.02 -0.14 -0.04 0.97 0.71 2fv4A14 VAL 149 HG23 0.06 0.00 -0.08 -0.04 0.95 0.90 2fv4A14 LEU 150 H -0.15 0.56 0.22 -0.55 8.37 8.45 2fv4A14 LEU 150 HA -0.09 0.19 0.89 -0.75 4.35 4.59 2fv4A14 LEU 150 HB2 -0.16 0.11 0.15 -0.04 1.64 1.70 2fv4A14 LEU 150 HB3 -0.16 0.01 0.02 -0.04 1.64 1.47 2fv4A14 LEU 150 HG -0.18 -0.02 -0.09 -0.04 1.64 1.31 2fv4A14 LEU 150 HD13 -0.11 0.02 -0.02 -0.04 0.93 0.78 2fv4A14 LEU 150 HD23 -0.07 0.08 -0.50 -0.04 0.89 0.35 2fv4A14 PRO 151 HA -0.11 0.07 0.61 -0.51 4.44 4.51 2fv4A14 PRO 151 HB2 -0.05 0.01 -0.13 -0.04 2.28 2.07 2fv4A14 PRO 151 HB3 -0.05 -0.01 0.07 -0.04 2.02 2.00 2fv4A14 PRO 151 HG2 -0.04 0.02 0.03 -0.04 2.03 2.00 2fv4A14 PRO 151 HG3 -0.04 0.00 0.01 -0.04 2.03 1.96 2fv4A14 PRO 151 HD2 -0.07 0.11 0.19 -0.04 3.68 3.88 2fv4A14 PRO 151 HD3 -0.07 0.25 -0.14 -0.04 3.65 3.66 2fv4A14 GLY 152 H -0.08 0.49 0.19 -0.55 8.43 8.47 2fv4A14 GLY 152 HA2 -0.08 0.07 0.33 -0.51 4.01 3.82 2fv4A14 GLY 152 HA3 -0.07 -0.06 0.34 -0.51 4.01 3.71 2fv4A14 ALA 153 H -0.06 0.29 0.16 -0.55 8.40 8.24 2fv4A14 ALA 153 HA -0.05 0.20 0.60 -0.75 4.34 4.34 2fv4A14 ALA 153 HB3 -0.05 -0.04 -0.03 -0.04 1.41 1.26 2fv4A14 SER 154 H -0.04 0.19 0.12 -0.55 8.46 8.19 2fv4A14 SER 154 HA -0.04 0.11 0.38 -0.75 4.49 4.18 2fv4A14 SER 154 HB2 -0.02 0.03 0.05 -0.04 3.95 3.98 2fv4A14 SER 154 HB3 -0.02 0.02 0.09 -0.04 3.93 3.98 2fv4A14 ASP 155 H -0.06 -0.01 -0.30 -0.55 8.40 7.48 2fv4A14 ASP 155 HA -0.07 0.07 0.36 -0.75 4.63 4.24 2fv4A14 ASP 155 HB2 -0.05 -0.03 -0.01 -0.04 2.71 2.58 2fv4A14 ASP 155 HB3 -0.05 0.03 -0.01 -0.04 2.70 2.64 2fv4A14 VAL 156 H -0.11 0.16 -0.39 -0.55 8.24 7.36 2fv4A14 VAL 156 HA -0.20 0.15 0.78 -0.75 4.13 4.11 2fv4A14 VAL 156 HB -0.05 0.02 -0.19 -0.04 2.12 1.86 2fv4A14 VAL 156 HG13 -0.06 -0.03 -0.11 -0.04 0.97 0.72 2fv4A14 VAL 156 HG23 -0.03 0.02 -0.11 -0.04 0.95 0.79 2fv4A14 HIS 157 H -0.22 0.13 0.08 -0.55 8.41 7.85 2fv4A14 HIS 157 HA -0.04 0.10 0.53 -0.75 4.63 4.46 2fv4A14 HIS 157 HB2 -0.00 -0.02 0.17 -0.04 3.26 3.36 2fv4A14 HIS 157 HB3 -0.02 -0.04 0.02 -0.04 3.20 3.11 2fv4A14 HIS 157 HD2 0.06 -0.01 0.05 -0.04 6.97 7.02 2fv4A14 HIS 157 HE1 0.01 0.02 -0.03 -0.04 7.75 7.70 2fv4A14 ASP 158 H -0.01 0.27 0.23 -0.55 8.40 8.34 2fv4A14 ASP 158 HA -0.13 0.08 0.57 -0.75 4.63 4.40 2fv4A14 ASP 158 HB2 -0.11 0.09 -0.36 -0.04 2.71 2.29 2fv4A14 ASP 158 HB3 -0.08 -0.13 0.04 -0.04 2.70 2.49 2fv4A14 VAL 159 H -0.12 0.22 -0.00 -0.55 8.24 7.79 2fv4A14 VAL 159 HA -0.20 0.11 0.87 -0.75 4.13 4.15 2fv4A14 VAL 159 HB -0.19 0.10 0.17 -0.04 2.12 2.16 2fv4A14 VAL 159 HG13 -0.99 0.01 -0.19 -0.04 0.97 -0.25 2fv4A14 VAL 159 HG23 -0.10 -0.02 -0.12 -0.04 0.95 0.67 2fv4A14 ARG 160 H -0.24 0.40 0.02 -0.55 8.46 8.09 2fv4A14 ARG 160 HA -0.11 0.21 0.96 -0.75 4.34 4.65 2fv4A14 ARG 160 HB2 -0.15 0.10 0.21 -0.04 1.90 2.02 2fv4A14 ARG 160 HB3 -0.02 0.00 -0.10 -0.04 1.80 1.64 2fv4A14 ARG 160 HG2 -0.02 -0.05 -0.21 -0.04 1.67 1.35 2fv4A14 ARG 160 HG3 -0.11 -0.05 -0.15 -0.04 1.67 1.33 2fv4A14 ARG 160 HD2 -0.15 0.08 -0.13 -0.04 3.22 2.98 2fv4A14 ARG 160 HD3 -0.07 -0.01 -0.13 -0.04 3.22 2.97 2fv4A14 PHE 161 H -0.00 0.54 0.33 -0.55 8.34 8.65 2fv4A14 PHE 161 HA 0.03 0.11 0.68 -0.75 4.62 4.69 2fv4A14 PHE 161 HB2 0.13 -0.04 0.23 -0.04 3.15 3.44 2fv4A14 PHE 161 HB3 0.24 0.02 0.02 -0.04 3.06 3.30 2fv4A14 PHE 161 HD2 0.11 0.05 0.01 -0.04 7.28 7.40 2fv4A14 PHE 161 HE2 0.04 0.04 -0.02 -0.04 7.38 7.40 2fv4A14 PHE 161 HZ 0.03 -0.05 -0.07 -0.04 7.32 7.19 2fv4A14 VAL 162 H 0.05 0.51 0.38 -0.55 8.24 8.63 2fv4A14 VAL 162 HA -0.17 0.23 1.08 -0.75 4.13 4.51 2fv4A14 VAL 162 HB -0.01 -0.14 0.12 -0.04 2.12 2.05 2fv4A14 VAL 162 HG13 0.00 0.04 -0.13 -0.04 0.97 0.85 2fv4A14 VAL 162 HG23 -0.10 0.05 -0.12 -0.04 0.95 0.73 2fv4A14 PHE 163 H -0.47 0.74 0.40 -0.55 8.34 8.46 2fv4A14 PHE 163 HA 0.11 0.28 0.92 -0.75 4.62 5.18 2fv4A14 PHE 163 HB2 0.11 -0.02 0.25 -0.04 3.15 3.45 2fv4A14 PHE 163 HB3 0.07 0.02 0.14 -0.04 3.06 3.25 2fv4A14 PHE 163 HD2 0.11 0.05 -0.12 -0.04 7.28 7.27 2fv4A14 PHE 163 HE2 0.13 -0.07 -0.14 -0.04 7.38 7.26 2fv4A14 PHE 163 HZ 0.17 -0.06 -0.07 -0.04 7.32 7.31 2fv4A14 GLY 164 H 0.19 0.68 0.27 -0.55 8.43 9.02 2fv4A14 GLY 164 HA2 0.11 0.03 0.37 -0.51 4.01 4.01 2fv4A14 GLY 164 HA3 0.10 -0.08 0.36 -0.51 4.01 3.87 2fv4A14 ASP 165 H 0.07 -0.00 0.13 -0.55 8.40 8.05 2fv4A14 ASP 165 HA 0.05 -0.09 0.39 -0.75 4.63 4.23 2fv4A14 ASP 165 HB2 0.07 -0.05 -0.36 -0.04 2.71 2.33 2fv4A14 ASP 165 HB3 0.08 0.14 0.45 -0.04 2.70 3.33 2fv4A14 ASP 166 H 0.05 -0.02 0.11 -0.55 8.40 7.99 2fv4A14 ASP 166 HA 0.05 -0.01 0.32 -0.75 4.63 4.24 2fv4A14 ASP 166 HB2 0.04 -0.05 -0.04 -0.04 2.71 2.62 2fv4A14 ASP 166 HB3 0.05 0.20 -0.15 -0.04 2.70 2.76 2fv4A14 SER 167 H 0.07 0.05 0.09 -0.55 8.46 8.12 2fv4A14 SER 167 HA 0.10 -0.04 0.40 -0.75 4.49 4.19 2fv4A14 SER 167 HB2 0.10 0.03 -0.01 -0.04 3.95 4.03 2fv4A14 SER 167 HB3 0.07 -0.09 -0.11 -0.04 3.93 3.77 2fv4A14 ARG 168 H 0.14 1.12 0.30 -0.55 8.46 9.47 2fv4A14 ARG 168 HA 0.18 0.05 0.34 -0.75 4.34 4.15 2fv4A14 ARG 168 HB2 0.12 -0.15 -0.52 -0.04 1.90 1.32 2fv4A14 ARG 168 HB3 0.26 0.05 0.35 -0.04 1.80 2.42 2fv4A14 ARG 168 HG2 0.11 0.03 -0.12 -0.04 1.67 1.64 2fv4A14 ARG 168 HG3 0.06 -0.07 -0.10 -0.04 1.67 1.52 2fv4A14 ARG 168 HD2 -0.04 -0.07 -0.09 -0.04 3.22 2.98 2fv4A14 ARG 168 HD3 0.01 0.01 -0.06 -0.04 3.22 3.13 2fv4A14 CYS 169 H 0.26 0.39 0.29 -0.55 8.50 8.90 2fv4A14 CYS 169 HA 0.16 0.33 1.05 -0.75 4.58 5.36 2fv4A14 CYS 169 HB2 0.26 -0.16 0.10 -0.04 2.97 3.12 2fv4A14 CYS 169 HB3 0.12 0.24 0.26 -0.04 2.97 3.55 2fv4A14 TRP 170 H -0.55 0.48 0.32 -0.55 7.97 7.68 2fv4A14 TRP 170 HA -0.71 0.24 0.90 -0.75 4.62 4.30 2fv4A14 TRP 170 HB2 -0.19 0.01 -0.16 -0.04 3.23 2.85 2fv4A14 TRP 170 HB3 -0.21 0.01 -0.23 -0.04 3.23 2.75 2fv4A14 TRP 170 HD1 -0.07 -0.03 -0.39 -0.04 7.22 6.69 2fv4A14 TRP 170 HE1 -0.06 -0.03 -0.16 -0.04 10.20 9.91 2fv4A14 TRP 170 HE3 -0.12 -0.09 -0.51 -0.04 7.59 6.82 2fv4A14 TRP 170 HZ2 -0.43 -0.04 -0.05 -0.04 7.44 6.88 2fv4A14 TRP 170 HZ3 -0.28 0.30 -0.02 -0.04 7.13 7.09 2fv4A14 TRP 170 HH2 -1.14 -0.02 -0.01 -0.04 7.19 5.98 2fv4A14 ILE 171 H 0.03 0.57 0.32 -0.55 8.25 8.63 2fv4A14 ILE 171 HA 0.03 0.18 1.00 -0.75 4.18 4.63 2fv4A14 ILE 171 HB 0.13 0.05 0.08 -0.04 1.89 2.11 2fv4A14 ILE 171 HG12 0.40 0.04 0.13 -0.04 1.49 2.02 2fv4A14 ILE 171 HG13 0.37 -0.01 -0.13 -0.04 1.21 1.40 2fv4A14 ILE 171 HG23 0.21 -0.03 -0.20 -0.04 0.93 0.87 2fv4A14 ILE 171 HD13 0.24 -0.00 -0.07 -0.04 0.88 1.00 2fv4A14 GLU 172 H 0.10 0.56 0.31 -0.55 8.60 9.03 2fv4A14 GLU 172 HA 0.06 0.19 1.00 -0.75 4.29 4.79 2fv4A14 GLU 172 HB2 0.05 -0.00 0.11 -0.04 2.09 2.21 2fv4A14 GLU 172 HB3 0.03 -0.05 -0.02 -0.04 1.99 1.90 2fv4A14 GLU 172 HG2 0.12 0.23 0.14 -0.04 2.34 2.80 2fv4A14 GLU 172 HG3 0.11 -0.03 -0.04 -0.04 2.34 2.34 2fv4A14 VAL 173 H 0.06 0.61 0.36 -0.55 8.24 8.72 2fv4A14 VAL 173 HA 0.06 0.06 0.66 -0.75 4.13 4.15 2fv4A14 VAL 173 HB 0.27 -0.05 -0.04 -0.04 2.12 2.27 2fv4A14 VAL 173 HG13 0.02 -0.02 -0.01 -0.04 0.97 0.92 2fv4A14 VAL 173 HG23 0.05 -0.01 -0.19 -0.04 0.95 0.76 2fv4A14 ALA 174 H 0.04 0.17 0.13 -0.55 8.40 8.20 2fv4A14 ALA 174 HA 0.02 0.08 0.76 -0.75 4.34 4.45 2fv4A14 ALA 174 HB3 0.01 0.03 -0.02 -0.04 1.41 1.38 2fv4A14 MET 175 H 0.04 0.02 0.10 -0.55 8.47 8.09 2fv4A14 MET 175 HA -0.06 0.20 0.56 -0.75 4.52 4.47 2fv4A14 MET 175 HB2 0.05 -0.06 0.23 -0.04 2.15 2.33 2fv4A14 MET 175 HB3 -0.12 0.04 0.16 -0.04 2.03 2.06 2fv4A14 MET 175 HG2 0.07 0.00 0.03 -0.04 2.63 2.69 2fv4A14 MET 175 HG3 -0.03 0.05 0.02 -0.04 2.56 2.56 2fv4A14 MET 175 HE3 0.22 0.01 -0.05 -0.04 2.10 2.24 2fv4A14 HIS 176 H 0.08 0.06 0.13 -0.55 8.41 8.14 2fv4A14 HIS 176 HA 0.02 0.23 0.61 -0.75 4.63 4.73 2fv4A14 HIS 176 HB2 0.01 -0.05 0.05 -0.04 3.26 3.23 2fv4A14 HIS 176 HB3 0.01 0.03 0.09 -0.04 3.20 3.29 2fv4A14 HIS 176 HD2 0.01 0.04 0.00 -0.04 6.97 6.98 2fv4A14 HIS 176 HE1 0.01 0.00 -0.01 -0.04 7.75 7.72 2fv4A14 GLY 177 H 0.10 -0.16 -0.28 -0.55 8.43 7.55 2fv4A14 GLY 177 HA2 0.14 0.03 0.35 -0.51 4.01 4.02 2fv4A14 GLY 177 HA3 0.23 -0.02 0.19 -0.51 4.01 3.90 2fv4A14 ASP 178 H 0.03 0.08 0.14 -0.55 8.40 8.10 2fv4A14 ASP 178 HA 0.01 0.17 0.65 -0.75 4.63 4.70 2fv4A14 ASP 178 HB2 -0.03 0.04 0.12 -0.04 2.71 2.80 2fv4A14 ASP 178 HB3 -0.15 -0.05 0.22 -0.04 2.70 2.68 2fv4A14 HIS 179 H 0.08 0.39 0.18 -0.55 8.41 8.51 2fv4A14 HIS 179 HA 0.01 0.11 0.69 -0.75 4.63 4.69 2fv4A14 HIS 179 HB2 0.02 0.00 -0.07 -0.04 3.26 3.18 2fv4A14 HIS 179 HB3 0.02 -0.11 0.04 -0.04 3.20 3.10 2fv4A14 HIS 179 HD2 0.02 -0.05 0.03 -0.04 6.97 6.92 2fv4A14 HIS 179 HE1 0.08 -0.11 -0.05 -0.04 7.75 7.63 2fv4A14 VAL 180 H 0.08 0.15 0.09 -0.55 8.24 8.01 2fv4A14 VAL 180 HA 0.03 0.25 0.79 -0.75 4.13 4.45 2fv4A14 VAL 180 HB 0.01 0.02 0.15 -0.04 2.12 2.26 2fv4A14 VAL 180 HG13 0.00 0.01 -0.22 -0.04 0.97 0.72 2fv4A14 VAL 180 HG23 0.02 -0.01 -0.03 -0.04 0.95 0.88 2fv4A14 ILE 181 H 0.09 0.05 -0.08 -0.55 8.25 7.77 2fv4A14 ILE 181 HA 0.04 0.06 0.49 -0.75 4.18 4.01 2fv4A14 ILE 181 HB 0.05 0.02 0.13 -0.04 1.89 2.05 2fv4A14 ILE 181 HG12 0.13 -0.11 0.08 -0.04 1.49 1.55 2fv4A14 ILE 181 HG13 0.07 0.05 0.01 -0.04 1.21 1.29 2fv4A14 ILE 181 HG23 0.04 0.02 -0.13 -0.04 0.93 0.81 2fv4A14 ILE 181 HD13 0.06 -0.00 -0.06 -0.04 0.88 0.83 2fv4A14 GLY 182 H 0.02 0.19 0.22 -0.55 8.43 8.32 2fv4A14 GLY 182 HA2 0.01 0.10 0.52 -0.51 4.01 4.13 2fv4A14 GLY 182 HA3 0.01 0.00 0.38 -0.51 4.01 3.89 2fv4A14 ASN 183 H 0.03 0.40 0.20 -0.55 8.53 8.61 2fv4A14 ASN 183 HA 0.02 0.15 0.90 -0.75 4.76 5.08 2fv4A14 ASN 183 HB2 0.09 0.00 -0.01 -0.04 2.88 2.92 2fv4A14 ASN 183 HB3 0.06 0.02 -0.08 -0.04 2.79 2.74 2fv4A14 ASN 183 HD21 0.05 -0.01 -0.08 -0.04 7.03 6.95 2fv4A14 ASN 183 HD22 0.04 -0.01 -0.03 -0.04 7.74 7.70 2fv4A14 SER 184 H -0.03 0.23 0.14 -0.55 8.46 8.26 2fv4A14 SER 184 HA -0.08 0.17 1.04 -0.75 4.49 4.87 2fv4A14 SER 184 HB2 -0.03 -0.03 0.09 -0.04 3.95 3.94 2fv4A14 SER 184 HB3 -0.02 -0.01 -0.08 -0.04 3.93 3.78 2fv4A14 HIS 185 H -0.32 0.39 0.18 -0.55 8.41 8.11 2fv4A14 HIS 185 HA -0.45 0.13 0.76 -0.75 4.63 4.32 2fv4A14 HIS 185 HB2 -1.31 -0.03 -0.16 -0.04 3.26 1.73 2fv4A14 HIS 185 HB3 -2.82 -0.12 0.31 -0.04 3.20 0.52 2fv4A14 HIS 185 HD2 -0.10 -0.04 -0.00 -0.04 6.97 6.78 2fv4A14 HIS 185 HE1 0.05 0.08 0.01 -0.04 7.75 7.85 2fv4A14 PRO 186 HA 0.01 0.14 0.56 -0.51 4.44 4.63 2fv4A14 PRO 186 HB2 -0.03 -0.07 0.13 -0.04 2.28 2.26 2fv4A14 PRO 186 HB3 0.01 0.03 0.05 -0.04 2.02 2.07 2fv4A14 PRO 186 HG2 -0.10 0.01 -0.10 -0.04 2.03 1.80 2fv4A14 PRO 186 HG3 -0.06 -0.08 -0.01 -0.04 2.03 1.84 2fv4A14 PRO 186 HD2 -0.29 0.20 -0.08 -0.04 3.68 3.47 2fv4A14 PRO 186 HD3 -0.19 0.02 -0.37 -0.04 3.65 3.07 2fv4A14 ALA 187 H -0.09 0.01 -0.09 -0.55 8.40 7.69 2fv4A14 ALA 187 HA -0.11 0.07 0.28 -0.75 4.34 3.83 2fv4A14 ALA 187 HB3 -0.00 0.02 -0.07 -0.04 1.41 1.33 2fv4A14 LEU 188 H -0.02 0.13 0.05 -0.55 8.37 7.98 2fv4A14 LEU 188 HA -0.02 0.14 0.42 -0.75 4.35 4.14 2fv4A14 LEU 188 HB2 -0.01 0.08 0.19 -0.04 1.64 1.86 2fv4A14 LEU 188 HB3 -0.02 -0.25 0.22 -0.04 1.64 1.55 2fv4A14 LEU 188 HG -0.01 -0.05 -0.13 -0.04 1.64 1.40 2fv4A14 LEU 188 HD13 -0.01 0.04 0.11 -0.04 0.93 1.04 2fv4A14 LEU 188 HD23 -0.01 -0.00 -0.07 -0.04 0.89 0.77 2fv4A14 ASP 189 H -0.03 0.11 0.11 -0.55 8.40 8.04 2fv4A14 ASP 189 HA -0.04 0.28 0.60 -0.75 4.63 4.72 2fv4A14 ASP 189 HB2 -0.02 -0.01 -0.17 -0.04 2.71 2.48 2fv4A14 ASP 189 HB3 -0.02 -0.22 0.02 -0.04 2.70 2.44 2fv4A14 PRO 190 HA -0.03 0.06 0.36 -0.51 4.44 4.31 2fv4A14 PRO 190 HB2 -0.01 0.05 -0.05 -0.04 2.28 2.23 2fv4A14 PRO 190 HB3 -0.02 0.08 0.10 -0.04 2.02 2.13 2fv4A14 PRO 190 HG2 -0.01 0.06 0.08 -0.04 2.03 2.11 2fv4A14 PRO 190 HG3 -0.02 0.11 0.09 -0.04 2.03 2.16 2fv4A14 PRO 190 HD2 -0.02 0.14 0.24 -0.04 3.68 4.00 2fv4A14 PRO 190 HD3 -0.04 0.24 0.18 -0.04 3.65 3.98 2fv4A14 LYS 191 H -0.01 0.15 -0.42 -0.55 8.42 7.58 2fv4A14 LYS 191 HA 0.01 0.05 0.30 -0.75 4.32 3.93 2fv4A14 LYS 191 HB2 -0.01 0.03 -0.03 -0.04 1.87 1.82 2fv4A14 LYS 191 HB3 -0.01 0.04 0.03 -0.04 1.79 1.81 2fv4A14 LYS 191 HG2 -0.01 0.01 0.02 -0.04 1.46 1.45 2fv4A14 LYS 191 HG3 -0.01 -0.04 0.01 -0.04 1.46 1.39 2fv4A14 LYS 191 HD2 -0.01 0.04 -0.02 -0.04 1.69 1.66 2fv4A14 LYS 191 HD3 -0.01 0.01 -0.00 -0.04 1.68 1.64 2fv4A14 LYS 191 HE2 -0.01 0.04 -0.00 -0.04 2.99 2.98 2fv4A14 LYS 191 HE3 -0.01 0.01 -0.00 -0.04 2.99 2.95 2fv4A14 SER 192 H -0.01 0.39 -0.47 -0.55 8.46 7.83 2fv4A14 SER 192 HA 0.01 0.09 0.42 -0.75 4.49 4.25 2fv4A14 SER 192 HB2 0.01 0.04 0.01 -0.04 3.95 3.97 2fv4A14 SER 192 HB3 -0.00 0.06 0.09 -0.04 3.93 4.04 2fv4A14 ARG 193 H 0.00 0.16 0.04 -0.55 8.46 8.11 2fv4A14 ARG 193 HA 0.04 0.02 0.31 -0.75 4.34 3.95 2fv4A14 ARG 193 HB2 0.01 0.01 0.06 -0.04 1.90 1.94 2fv4A14 ARG 193 HB3 -0.01 -0.03 0.11 -0.04 1.80 1.84 2fv4A14 ARG 193 HG2 -0.02 -0.01 -0.01 -0.04 1.67 1.59 2fv4A14 ARG 193 HG3 0.01 0.17 -0.02 -0.04 1.67 1.79 2fv4A14 ARG 193 HD2 0.00 -0.04 -0.29 -0.04 3.22 2.85 2fv4A14 ARG 193 HD3 -0.00 -0.01 -0.14 -0.04 3.22 3.03 2fv4A14 ALA 194 H 0.03 0.37 -0.85 -0.55 8.40 7.40 2fv4A14 ALA 194 HA 0.09 0.03 0.49 -0.75 4.34 4.19 2fv4A14 ALA 194 HB3 0.08 0.04 0.01 -0.04 1.41 1.50 2fv4A14 THR 195 H 0.06 0.74 0.18 -0.55 8.28 8.72 2fv4A14 THR 195 HA 0.11 -0.01 0.46 -0.75 4.39 4.20 2fv4A14 THR 195 HB 0.03 0.03 0.14 -0.04 4.32 4.48 2fv4A14 THR 195 HG23 0.02 -0.02 -0.03 -0.04 1.22 1.15 2fv4A14 LEU 196 H 0.05 0.73 -0.17 -0.55 8.37 8.43 2fv4A14 LEU 196 HA 0.07 0.03 0.35 -0.75 4.35 4.04 2fv4A14 LEU 196 HB2 0.05 0.03 -0.07 -0.04 1.64 1.60 2fv4A14 LEU 196 HB3 0.05 0.05 -0.04 -0.04 1.64 1.66 2fv4A14 LEU 196 HG 0.15 -0.07 -0.03 -0.04 1.64 1.65 2fv4A14 LEU 196 HD13 0.09 0.02 -0.10 -0.04 0.93 0.90 2fv4A14 LEU 196 HD23 0.15 -0.00 -0.11 -0.04 0.89 0.88 2fv4A14 GLU 197 H 0.01 0.45 -0.30 -0.55 8.60 8.22 2fv4A14 GLU 197 HA -0.09 0.01 0.43 -0.75 4.29 3.89 2fv4A14 GLU 197 HB2 -0.08 0.22 0.21 -0.04 2.09 2.40 2fv4A14 GLU 197 HB3 -0.30 0.00 0.15 -0.04 1.99 1.81 2fv4A14 GLU 197 HG2 -0.15 -0.00 -0.00 -0.04 2.34 2.15 2fv4A14 GLU 197 HG3 -0.16 -0.05 -0.03 -0.04 2.34 2.06 2fv4A14 HIS 198 H -0.05 0.54 -0.01 -0.55 8.41 8.35 2fv4A14 HIS 198 HA -0.01 -0.00 0.34 -0.75 4.63 4.20 2fv4A14 HIS 198 HB2 -0.00 0.09 0.10 -0.04 3.26 3.40 2fv4A14 HIS 198 HB3 -0.00 -0.04 0.03 -0.04 3.20 3.15 2fv4A14 HIS 198 HD2 -0.00 -0.01 0.01 -0.04 6.97 6.92 2fv4A14 HIS 198 HE1 -0.00 -0.06 0.01 -0.04 7.75 7.66 2fv4A14 VAL 199 H 0.08 0.42 -0.63 -0.55 8.24 7.56 2fv4A14 VAL 199 HA 0.05 -0.01 0.39 -0.75 4.13 3.80 2fv4A14 VAL 199 HB 0.07 0.17 0.18 -0.04 2.12 2.50 2fv4A14 VAL 199 HG13 0.08 -0.03 -0.25 -0.04 0.97 0.73 2fv4A14 VAL 199 HG23 0.05 -0.05 -0.03 -0.04 0.95 0.88 2fv4A14 LEU 200 H -0.00 0.58 -0.04 -0.55 8.37 8.36 2fv4A14 LEU 200 HA 0.02 -0.08 0.35 -0.75 4.35 3.88 2fv4A14 LEU 200 HB2 -0.14 0.17 0.18 -0.04 1.64 1.80 2fv4A14 LEU 200 HB3 -0.12 0.05 -0.03 -0.04 1.64 1.49 2fv4A14 LEU 200 HG -0.08 -0.11 -0.02 -0.04 1.64 1.39 2fv4A14 LEU 200 HD13 -0.74 0.01 -0.02 -0.04 0.93 0.14 2fv4A14 LEU 200 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.68 2fv4A14 THR 201 H -0.04 0.51 -0.13 -0.55 8.28 8.07 2fv4A14 THR 201 HA -0.03 0.05 0.48 -0.75 4.39 4.14 2fv4A14 THR 201 HB -0.03 -0.03 0.07 -0.04 4.32 4.29 2fv4A14 THR 201 HG23 -0.08 0.01 -0.02 -0.04 1.22 1.09 2fv4A14 VAL 202 H 0.02 0.42 -0.30 -0.55 8.24 7.83 2fv4A14 VAL 202 HA 0.02 0.08 0.64 -0.75 4.13 4.12 2fv4A14 VAL 202 HB 0.04 0.05 0.16 -0.04 2.12 2.33 2fv4A14 VAL 202 HG13 0.02 -0.03 -0.07 -0.04 0.97 0.85 2fv4A14 VAL 202 HG23 0.07 -0.09 0.01 -0.04 0.95 0.90 2fv4A14 GLN 203 H 0.02 0.71 0.10 -0.55 8.47 8.76 2fv4A14 GLN 203 HA 0.01 0.12 0.64 -0.75 4.36 4.39 2fv4A14 GLN 203 HB2 0.03 0.07 0.13 -0.04 2.15 2.33 2fv4A14 GLN 203 HB3 0.03 -0.10 0.04 -0.04 2.02 1.95 2fv4A14 GLN 203 HG2 0.02 -0.08 0.07 -0.04 2.40 2.37 2fv4A14 GLN 203 HG3 0.01 -0.02 0.14 -0.04 2.39 2.48 2fv4A14 GLN 203 HE21 0.01 0.01 0.02 -0.04 6.97 6.96 2fv4A14 GLN 203 HE22 0.01 -0.02 0.07 -0.04 7.69 7.70 2fv4A14 GLY 204 H 0.01 0.41 -0.18 -0.55 8.43 8.13 2fv4A14 GLY 204 HA2 0.00 0.10 0.32 -0.51 4.01 3.92 2fv4A14 GLY 204 HA3 0.01 0.08 0.33 -0.51 4.01 3.92 2fv4A14 ASP 205 H 0.03 0.01 -1.18 -0.55 8.40 6.70 2fv4A14 ASP 205 HA 0.02 0.19 0.82 -0.75 4.63 4.91 2fv4A14 ASP 205 HB2 0.02 -0.06 0.19 -0.04 2.71 2.82 2fv4A14 ASP 205 HB3 0.01 -0.09 0.13 -0.04 2.70 2.71 2fv4A14 LEU 206 H 0.05 0.41 0.04 -0.55 8.37 8.31 2fv4A14 LEU 206 HA 0.26 0.06 0.27 -0.75 4.35 4.18 2fv4A14 LEU 206 HB2 0.24 0.01 0.12 -0.04 1.64 1.97 2fv4A14 LEU 206 HB3 0.07 0.10 0.10 -0.04 1.64 1.87 2fv4A14 LEU 206 HG 0.04 -0.10 -0.10 -0.04 1.64 1.45 2fv4A14 LEU 206 HD13 0.05 -0.00 -0.14 -0.04 0.93 0.80 2fv4A14 LEU 206 HD23 0.03 0.03 0.02 -0.04 0.89 0.93 2fv4A14 ALA 207 H 0.03 -0.05 -1.14 -0.55 8.40 6.69 2fv4A14 ALA 207 HA -0.09 0.12 0.56 -0.75 4.34 4.18 2fv4A14 ALA 207 HB3 -0.03 0.02 0.02 -0.04 1.41 1.38 2fv4A14 ALA 208 H 0.00 0.29 0.04 -0.55 8.40 8.19 2fv4A14 ALA 208 HA -0.05 0.05 0.40 -0.75 4.34 3.99 2fv4A14 ALA 208 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 2fv4A14 PHE 209 H 0.07 0.17 -0.76 -0.55 8.34 7.27 2fv4A14 PHE 209 HA -0.05 0.12 0.49 -0.75 4.62 4.43 2fv4A14 PHE 209 HB2 -0.05 0.04 -0.01 -0.04 3.15 3.09 2fv4A14 PHE 209 HB3 -0.05 -0.01 0.00 -0.04 3.06 2.96 2fv4A14 PHE 209 HD2 -0.08 -0.02 -0.06 -0.04 7.28 7.08 2fv4A14 PHE 209 HE2 -0.14 0.00 -0.04 -0.04 7.38 7.16 2fv4A14 PHE 209 HZ -0.32 0.02 -0.03 -0.04 7.32 6.95 2fv4A14 LEU 210 H -1.64 0.38 0.06 -0.55 8.37 6.62 2fv4A14 LEU 210 HA -0.97 0.03 0.38 -0.75 4.35 3.04 2fv4A14 LEU 210 HB2 -1.22 0.03 0.16 -0.04 1.64 0.57 2fv4A14 LEU 210 HB3 -0.50 0.04 0.05 -0.04 1.64 1.19 2fv4A14 LEU 210 HG -0.37 -0.04 0.08 -0.04 1.64 1.27 2fv4A14 LEU 210 HD13 -0.21 0.00 0.00 -0.04 0.93 0.68 2fv4A14 LEU 210 HD23 -0.16 0.02 -0.02 -0.04 0.89 0.69 2fv4A14 VAL 211 H -0.32 0.42 -0.38 -0.55 8.24 7.41 2fv4A14 VAL 211 HA -0.16 0.04 0.40 -0.75 4.13 3.66 2fv4A14 VAL 211 HB -0.11 0.00 0.10 -0.04 2.12 2.07 2fv4A14 VAL 211 HG13 -0.07 -0.02 -0.05 -0.04 0.97 0.79 2fv4A14 VAL 211 HG23 -0.12 -0.06 0.01 -0.04 0.95 0.74 2fv4A14 VAL 212 H -0.12 0.42 -0.29 -0.55 8.24 7.69 2fv4A14 VAL 212 HA -0.06 -0.02 0.42 -0.75 4.13 3.72 2fv4A14 VAL 212 HB -0.01 0.14 0.18 -0.04 2.12 2.38 2fv4A14 VAL 212 HG13 -0.01 -0.04 -0.05 -0.04 0.97 0.83 2fv4A14 VAL 212 HG23 -0.02 -0.06 0.08 -0.04 0.95 0.90 2fv4A14 ALA 213 H -0.19 0.51 -0.35 -0.55 8.40 7.82 2fv4A14 ALA 213 HA -0.15 -0.04 0.34 -0.75 4.34 3.74 2fv4A14 ALA 213 HB3 -0.37 0.04 0.08 -0.04 1.41 1.12 2fv4A14 ARG 214 H -0.21 0.56 -0.15 -0.55 8.46 8.11 2fv4A14 ARG 214 HA -0.15 0.05 0.44 -0.75 4.34 3.93 2fv4A14 ARG 214 HB2 -0.11 0.12 0.20 -0.04 1.90 2.06 2fv4A14 ARG 214 HB3 -0.08 -0.04 0.04 -0.04 1.80 1.67 2fv4A14 ARG 214 HG2 -0.18 -0.04 0.06 -0.04 1.67 1.46 2fv4A14 ARG 214 HG3 -0.14 0.02 0.06 -0.04 1.67 1.58 2fv4A14 ARG 214 HD2 -0.05 0.08 -0.00 -0.04 3.22 3.20 2fv4A14 ARG 214 HD3 -0.05 -0.03 0.01 -0.04 3.22 3.10 2fv4A14 ASP 215 H -0.09 0.49 -0.08 -0.55 8.40 8.17 2fv4A14 ASP 215 HA -0.04 -0.03 0.36 -0.75 4.63 4.17 2fv4A14 ASP 215 HB2 -0.05 0.10 0.14 -0.04 2.71 2.85 2fv4A14 ASP 215 HB3 -0.04 -0.05 0.04 -0.04 2.70 2.61 2fv4A14 MET 216 H -0.08 0.47 -0.67 -0.55 8.47 7.64 2fv4A14 MET 216 HA -0.03 -0.03 0.43 -0.75 4.52 4.13 2fv4A14 MET 216 HB2 -0.05 0.12 0.10 -0.04 2.15 2.28 2fv4A14 MET 216 HB3 -0.07 0.15 0.11 -0.04 2.03 2.17 2fv4A14 MET 216 HG2 -0.01 -0.11 -0.03 -0.04 2.63 2.43 2fv4A14 MET 216 HG3 -0.02 -0.03 0.04 -0.04 2.56 2.51 2fv4A14 MET 216 HE3 0.00 0.03 -0.08 -0.04 2.10 2.01 2fv4A14 LEU 217 H -0.08 0.49 -0.01 -0.55 8.37 8.22 2fv4A14 LEU 217 HA 0.00 -0.03 0.41 -0.75 4.35 3.98 2fv4A14 LEU 217 HB2 -0.03 0.03 0.20 -0.04 1.64 1.81 2fv4A14 LEU 217 HB3 0.02 0.03 0.07 -0.04 1.64 1.72 2fv4A14 LEU 217 HG -0.15 0.22 0.18 -0.04 1.64 1.85 2fv4A14 LEU 217 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 2fv4A14 LEU 217 HD23 0.05 -0.03 0.01 -0.04 0.89 0.87 2fv4A14 LEU 218 H -0.03 0.48 -0.11 -0.55 8.37 8.16 2fv4A14 LEU 218 HA -0.00 0.01 0.40 -0.75 4.35 4.00 2fv4A14 LEU 218 HB2 -0.02 0.09 0.13 -0.04 1.64 1.80 2fv4A14 LEU 218 HB3 -0.01 -0.01 -0.05 -0.04 1.64 1.53 2fv4A14 LEU 218 HG -0.01 -0.02 0.00 -0.04 1.64 1.57 2fv4A14 LEU 218 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.90 2fv4A14 LEU 218 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.85 2fv4A14 ALA 219 H -0.02 0.54 -0.16 -0.55 8.40 8.22 2fv4A14 ALA 219 HA -0.01 -0.04 0.32 -0.75 4.34 3.86 2fv4A14 ALA 219 HB3 -0.01 0.04 0.10 -0.04 1.41 1.49 2fv4A14 SER 220 H -0.01 0.35 -0.82 -0.55 8.46 7.44 2fv4A14 SER 220 HA -0.00 -0.08 0.47 -0.75 4.49 4.12 2fv4A14 SER 220 HB2 0.00 0.01 0.17 -0.04 3.95 4.08 2fv4A14 SER 220 HB3 0.01 0.15 0.11 -0.04 3.93 4.16 2fv4A14 LEU 221 H 0.00 0.41 -0.13 -0.55 8.37 8.11 2fv4A14 LEU 221 HA 0.01 0.08 0.45 -0.75 4.35 4.14 2fv4A14 LEU 221 HB2 0.01 0.09 0.14 -0.04 1.64 1.84 2fv4A14 LEU 221 HB3 0.01 -0.08 0.07 -0.04 1.64 1.60 2fv4A14 LEU 221 HG 0.02 0.00 -0.11 -0.04 1.64 1.51 2fv4A14 LEU 221 HD13 0.02 -0.00 -0.03 -0.04 0.93 0.88 2fv4A14 LEU 221 HD23 0.02 -0.02 -0.02 -0.04 0.89 0.83