============================================================================= 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. PHE 7 1.000 21.066 30.516 55.928 -99.200 -91.000 PHE 9 1.000 16.216 30.201 62.944 -99.200 -91.000 PHE 20 1.000 10.468 30.891 64.157 -99.200 -91.000 PHE 26 1.000 16.993 35.307 53.092 -99.200 -91.000 TYR 39 0.840 28.095 29.537 48.914 -99.200 -91.000 PHE 41 1.000 23.950 26.667 52.579 -99.200 -91.000 PHE 46 1.000 19.398 35.979 67.727 -99.200 -91.000 TYR 50 0.840 22.942 32.109 72.984 -99.200 -91.000 PHE 54 1.000 20.602 23.165 59.017 -99.200 -91.000 PHE 56 1.000 28.883 24.698 59.112 -99.200 -91.000 TYR 59 0.840 23.836 21.517 53.399 -99.200 -91.000 HIS 71 0.900 11.687 17.019 63.695 -99.200 -91.000 HIS 74 0.900 8.803 32.477 67.429 -99.200 -91.000 PHE 82 1.000 26.855 42.994 71.874 -99.200 -91.000 TYR 87 0.840 25.387 27.956 70.547 -99.200 -91.000 PHE 93 1.000 31.296 29.391 61.196 -99.200 -91.000 TYR 130 0.840 26.788 39.656 53.668 -99.200 -91.000 HIS 137 0.900 10.091 45.926 67.327 -99.200 -91.000 PHE 138 1.000 16.064 46.467 63.733 -99.200 -91.000 HIS 148 0.900 25.206 50.559 60.906 -99.200 -91.000 PHE 150 1.000 25.238 43.020 67.423 -99.200 -91.000 PHE 158 1.000 30.176 42.772 54.336 -99.200 -91.000 PHE 165 1.000 9.267 39.885 60.111 -99.200 -91.000 PHE 172 1.000 15.903 32.931 46.875 -99.200 -91.000 TYR 180 0.840 27.400 37.280 38.422 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zooB1 GLY 128 HA2 -0.04 -0.05 0.14 -0.51 4.01 3.55 1zooB1 GLY 128 HA3 -0.05 -0.08 0.22 -0.51 4.01 3.59 1zooB1 ASN 129 H -0.08 0.04 0.11 -0.55 8.53 8.05 1zooB1 ASN 129 HD21 -0.04 0.01 -0.00 -0.04 7.03 6.96 1zooB1 ASN 129 HD22 -0.05 -0.07 -0.01 -0.04 7.74 7.56 1zooB1 ASN 129 HA -0.13 0.19 0.61 -0.75 4.76 4.68 1zooB1 ASN 129 HB2 -0.09 -0.09 0.12 -0.04 2.88 2.77 1zooB1 ASN 129 HB3 -0.11 0.04 0.03 -0.04 2.79 2.71 1zooB1 VAL 130 H -0.25 0.54 0.18 -0.55 8.24 8.16 1zooB1 VAL 130 HA -0.18 0.19 0.96 -0.75 4.13 4.35 1zooB1 VAL 130 HB -0.92 -0.09 0.07 -0.04 2.12 1.14 1zooB1 VAL 130 HG13 -0.13 -0.00 -0.15 -0.04 0.97 0.64 1zooB1 VAL 130 HG23 -0.46 0.04 -0.23 -0.04 0.95 0.27 1zooB1 ASP 131 H -0.07 0.66 0.12 -0.55 8.40 8.56 1zooB1 ASP 131 HA -0.21 0.20 0.94 -0.75 4.63 4.80 1zooB1 ASP 131 HB2 0.05 0.05 0.05 -0.04 2.71 2.82 1zooB1 ASP 131 HB3 -0.44 -0.04 -0.03 -0.04 2.70 2.15 1zooB1 LEU 132 H 0.06 0.69 0.31 -0.55 8.37 8.88 1zooB1 LEU 132 HA 0.19 0.33 1.16 -0.75 4.35 5.27 1zooB1 LEU 132 HB2 0.10 -0.00 -0.14 -0.04 1.64 1.56 1zooB1 LEU 132 HB3 0.03 -0.02 0.03 -0.04 1.64 1.63 1zooB1 LEU 132 HG -0.01 0.04 -0.19 -0.04 1.64 1.44 1zooB1 LEU 132 HD13 0.13 0.00 -0.14 -0.04 0.93 0.88 1zooB1 LEU 132 HD23 -0.61 -0.03 -0.36 -0.04 0.89 -0.15 1zooB1 VAL 133 H 0.12 0.73 0.40 -0.55 8.24 8.93 1zooB1 VAL 133 HA -0.14 0.26 1.12 -0.75 4.13 4.62 1zooB1 VAL 133 HB 0.01 0.02 0.11 -0.04 2.12 2.21 1zooB1 VAL 133 HG13 -0.10 -0.03 -0.28 -0.04 0.97 0.52 1zooB1 VAL 133 HG23 -0.61 -0.01 -0.19 -0.04 0.95 0.09 1zooB1 PHE 134 H 0.10 0.61 0.41 -0.55 8.34 8.91 1zooB1 PHE 134 HA 0.13 0.21 0.89 -0.75 4.62 5.10 1zooB1 PHE 134 HB2 0.02 -0.06 0.26 -0.04 3.15 3.33 1zooB1 PHE 134 HB3 0.10 -0.02 0.05 -0.04 3.06 3.15 1zooB1 PHE 134 HD2 0.06 0.05 0.00 -0.04 7.28 7.35 1zooB1 PHE 134 HE2 -0.23 0.01 -0.08 -0.04 7.38 7.03 1zooB1 PHE 134 HZ -0.29 0.01 -0.06 -0.04 7.32 6.93 1zooB1 LEU 135 H 0.30 0.82 0.28 -0.55 8.37 9.22 1zooB1 LEU 135 HA 0.25 0.28 0.94 -0.75 4.35 5.06 1zooB1 LEU 135 HB2 0.08 0.03 -0.14 -0.04 1.64 1.56 1zooB1 LEU 135 HB3 0.10 -0.02 0.10 -0.04 1.64 1.78 1zooB1 LEU 135 HG 0.01 -0.07 -0.24 -0.04 1.64 1.30 1zooB1 LEU 135 HD13 0.04 0.04 -0.18 -0.04 0.93 0.78 1zooB1 LEU 135 HD23 -0.33 -0.02 -0.21 -0.04 0.89 0.30 1zooB1 PHE 136 H 0.31 0.64 0.28 -0.55 8.34 9.03 1zooB1 PHE 136 HA 0.22 0.27 1.37 -0.75 4.62 5.73 1zooB1 PHE 136 HB2 0.03 0.04 0.03 -0.04 3.15 3.20 1zooB1 PHE 136 HB3 0.08 0.00 -0.06 -0.04 3.06 3.04 1zooB1 PHE 136 HD2 -0.00 0.05 -0.14 -0.04 7.28 7.15 1zooB1 PHE 136 HE2 0.00 -0.03 -0.22 -0.04 7.38 7.10 1zooB1 PHE 136 HZ 0.06 0.02 -0.08 -0.04 7.32 7.27 1zooB1 ASP 137 H 0.19 0.64 0.41 -0.55 8.40 9.09 1zooB1 ASP 137 HA -1.14 0.07 0.55 -0.75 4.63 3.36 1zooB1 ASP 137 HB2 0.03 0.18 0.47 -0.04 2.71 3.35 1zooB1 ASP 137 HB3 0.08 -0.01 0.23 -0.04 2.70 2.97 1zooB1 GLY 138 H -0.45 0.55 0.45 -0.55 8.43 8.44 1zooB1 GLY 138 HA2 0.17 0.23 0.87 -0.51 4.01 4.77 1zooB1 GLY 138 HA3 0.00 -0.04 0.41 -0.51 4.01 3.87 1zooB1 SER 139 H -0.07 0.02 -0.04 -0.55 8.46 7.81 1zooB1 SER 139 HA -0.09 0.04 0.26 -0.75 4.49 3.95 1zooB1 SER 139 HB2 -0.05 0.05 0.07 -0.04 3.95 3.98 1zooB1 SER 139 HB3 -0.08 0.08 -0.01 -0.04 3.93 3.87 1zooB1 MET 140 H -0.08 0.69 0.15 -0.55 8.47 8.69 1zooB1 MET 140 HA -0.18 0.11 0.23 -0.75 4.52 3.93 1zooB1 MET 140 HB2 -0.09 0.16 -0.04 -0.04 2.15 2.14 1zooB1 MET 140 HB3 -0.05 -0.09 0.03 -0.04 2.03 1.87 1zooB1 MET 140 HG2 -0.05 -0.03 -0.19 -0.04 2.63 2.32 1zooB1 MET 140 HG3 -0.10 0.06 0.05 -0.04 2.56 2.54 1zooB1 MET 140 HE3 -0.04 -0.00 -0.01 -0.04 2.10 2.01 1zooB1 SER 141 H -0.02 0.01 -0.22 -0.55 8.46 7.68 1zooB1 SER 141 HA 0.03 0.10 0.36 -0.75 4.49 4.22 1zooB1 SER 141 HB2 0.11 0.00 0.00 -0.04 3.95 4.02 1zooB1 SER 141 HB3 -0.03 0.01 0.05 -0.04 3.93 3.92 1zooB1 LEU 142 H 0.09 0.20 -0.52 -0.55 8.37 7.59 1zooB1 LEU 142 HA -0.01 -0.08 0.40 -0.75 4.35 3.91 1zooB1 LEU 142 HB2 0.22 0.19 -0.02 -0.04 1.64 1.98 1zooB1 LEU 142 HB3 -0.01 -0.03 -0.11 -0.04 1.64 1.45 1zooB1 LEU 142 HG 0.14 -0.12 -0.13 -0.04 1.64 1.50 1zooB1 LEU 142 HD13 0.22 -0.03 -0.14 -0.04 0.93 0.93 1zooB1 LEU 142 HD23 0.14 -0.02 -0.14 -0.04 0.89 0.83 1zooB1 GLN 143 H -0.11 0.01 0.22 -0.55 8.47 8.04 1zooB1 GLN 143 HE21 -0.00 0.02 0.02 -0.04 6.97 6.96 1zooB1 GLN 143 HE22 0.00 0.09 -0.05 -0.04 7.69 7.70 1zooB1 GLN 143 HA 0.01 0.27 0.53 -0.75 4.36 4.41 1zooB1 GLN 143 HB2 -0.10 -0.16 0.15 -0.04 2.15 2.00 1zooB1 GLN 143 HB3 -0.03 -0.02 0.13 -0.04 2.02 2.05 1zooB1 GLN 143 HG2 -0.02 0.10 0.10 -0.04 2.40 2.54 1zooB1 GLN 143 HG3 -0.02 -0.03 0.08 -0.04 2.39 2.38 1zooB1 PRO 144 HA 0.07 0.13 0.42 -0.51 4.44 4.56 1zooB1 PRO 144 HB2 0.01 -0.02 0.13 -0.04 2.28 2.35 1zooB1 PRO 144 HB3 0.04 0.10 0.10 -0.04 2.02 2.22 1zooB1 PRO 144 HG2 0.01 0.08 0.11 -0.04 2.03 2.19 1zooB1 PRO 144 HG3 0.04 0.12 0.11 -0.04 2.03 2.26 1zooB1 PRO 144 HD2 -0.00 0.06 0.24 -0.04 3.68 3.94 1zooB1 PRO 144 HD3 0.01 0.25 0.26 -0.04 3.65 4.13 1zooB1 ASP 145 H -0.02 0.16 -0.14 -0.55 8.40 7.85 1zooB1 ASP 145 HA -0.02 0.16 0.45 -0.75 4.63 4.47 1zooB1 ASP 145 HB2 -0.02 0.05 0.05 -0.04 2.71 2.75 1zooB1 ASP 145 HB3 -0.02 0.07 0.06 -0.04 2.70 2.77 1zooB1 GLU 146 H -0.15 0.15 -0.36 -0.55 8.60 7.69 1zooB1 GLU 146 HA -0.36 0.06 0.55 -0.75 4.29 3.78 1zooB1 GLU 146 HB2 -0.52 0.09 0.13 -0.04 2.09 1.75 1zooB1 GLU 146 HB3 -2.10 0.01 0.04 -0.04 1.99 -0.11 1zooB1 GLU 146 HG2 -0.42 -0.02 0.02 -0.04 2.34 1.87 1zooB1 GLU 146 HG3 -0.25 -0.05 0.05 -0.04 2.34 2.04 1zooB1 PHE 147 H -0.06 0.59 -0.10 -0.55 8.34 8.21 1zooB1 PHE 147 HA -0.15 0.05 0.37 -0.75 4.62 4.14 1zooB1 PHE 147 HB2 -0.51 0.03 -0.02 -0.04 3.15 2.61 1zooB1 PHE 147 HB3 -0.26 0.13 0.09 -0.04 3.06 2.98 1zooB1 PHE 147 HD2 -0.20 0.05 -0.02 -0.04 7.28 7.07 1zooB1 PHE 147 HE2 0.07 0.06 -0.09 -0.04 7.38 7.38 1zooB1 PHE 147 HZ 0.25 0.00 -0.18 -0.04 7.32 7.36 1zooB1 GLN 148 H -0.01 0.41 -0.27 -0.55 8.47 8.05 1zooB1 GLN 148 HE21 -0.11 0.07 -0.04 -0.04 6.97 6.85 1zooB1 GLN 148 HE22 -0.10 -0.05 -0.03 -0.04 7.69 7.46 1zooB1 GLN 148 HA -0.19 0.09 0.40 -0.75 4.36 3.91 1zooB1 GLN 148 HB2 -0.01 0.11 0.09 -0.04 2.15 2.30 1zooB1 GLN 148 HB3 -0.04 0.01 0.10 -0.04 2.02 2.05 1zooB1 GLN 148 HG2 -0.04 0.01 -0.03 -0.04 2.40 2.30 1zooB1 GLN 148 HG3 -0.07 -0.04 -0.17 -0.04 2.39 2.07 1zooB1 LYS 149 H -0.07 0.35 -0.37 -0.55 8.42 7.77 1zooB1 LYS 149 HA -0.04 0.04 0.42 -0.75 4.32 3.98 1zooB1 LYS 149 HB2 0.05 0.07 0.14 -0.04 1.87 2.09 1zooB1 LYS 149 HB3 0.07 0.01 -0.02 -0.04 1.79 1.81 1zooB1 LYS 149 HG2 0.01 -0.02 -0.00 -0.04 1.46 1.41 1zooB1 LYS 149 HG3 -0.01 0.14 0.07 -0.04 1.46 1.62 1zooB1 LYS 149 HD2 0.04 -0.04 -0.07 -0.04 1.69 1.58 1zooB1 LYS 149 HD3 0.11 -0.07 -0.32 -0.04 1.68 1.36 1zooB1 LYS 149 HE2 0.05 -0.11 -0.08 -0.04 2.99 2.80 1zooB1 LYS 149 HE3 0.03 0.02 -0.06 -0.04 2.99 2.95 1zooB1 ILE 150 H -0.08 0.39 -0.38 -0.55 8.25 7.63 1zooB1 ILE 150 HA -0.01 0.02 0.45 -0.75 4.18 3.89 1zooB1 ILE 150 HB -0.21 0.21 0.15 -0.04 1.89 2.01 1zooB1 ILE 150 HG12 0.13 -0.05 -0.02 -0.04 1.49 1.52 1zooB1 ILE 150 HG13 0.23 0.10 0.01 -0.04 1.21 1.51 1zooB1 ILE 150 HG23 -0.07 -0.01 -0.11 -0.04 0.93 0.71 1zooB1 ILE 150 HD13 0.28 -0.02 -0.07 -0.04 0.88 1.02 1zooB1 LEU 151 H -0.36 0.41 -0.19 -0.55 8.37 7.69 1zooB1 LEU 151 HA -0.52 0.02 0.36 -0.75 4.35 3.45 1zooB1 LEU 151 HB2 -0.29 0.14 0.14 -0.04 1.64 1.58 1zooB1 LEU 151 HB3 -0.31 -0.00 -0.01 -0.04 1.64 1.27 1zooB1 LEU 151 HG -0.80 0.18 0.06 -0.04 1.64 1.05 1zooB1 LEU 151 HD13 -0.23 -0.00 -0.04 -0.04 0.93 0.61 1zooB1 LEU 151 HD23 -0.69 -0.02 -0.04 -0.04 0.89 0.10 1zooB1 ASP 152 H -0.18 0.61 -0.14 -0.55 8.40 8.14 1zooB1 ASP 152 HA -0.20 0.02 0.39 -0.75 4.63 4.10 1zooB1 ASP 152 HB2 -0.08 0.07 0.14 -0.04 2.71 2.80 1zooB1 ASP 152 HB3 -0.11 -0.03 -0.03 -0.04 2.70 2.49 1zooB1 PHE 153 H -0.04 0.50 -0.32 -0.55 8.34 7.93 1zooB1 PHE 153 HA -0.30 0.03 0.34 -0.75 4.62 3.93 1zooB1 PHE 153 HB2 -0.11 -0.02 0.08 -0.04 3.15 3.06 1zooB1 PHE 153 HB3 -0.18 0.15 0.15 -0.04 3.06 3.15 1zooB1 PHE 153 HD2 -0.07 0.06 -0.06 -0.04 7.28 7.16 1zooB1 PHE 153 HE2 0.14 -0.00 -0.15 -0.04 7.38 7.33 1zooB1 PHE 153 HZ 0.07 0.04 -0.12 -0.04 7.32 7.28 1zooB1 MET 154 H -0.28 0.48 -0.18 -0.55 8.47 7.94 1zooB1 MET 154 HA -1.10 0.02 0.36 -0.75 4.52 3.04 1zooB1 MET 154 HB2 -0.59 0.14 0.13 -0.04 2.15 1.79 1zooB1 MET 154 HB3 -1.05 -0.03 -0.03 -0.04 2.03 0.87 1zooB1 MET 154 HG2 -0.98 -0.04 0.00 -0.04 2.63 1.57 1zooB1 MET 154 HG3 -0.36 0.17 0.06 -0.04 2.56 2.39 1zooB1 MET 154 HE3 -0.44 -0.01 -0.04 -0.04 2.10 1.57 1zooB1 LYS 155 H -0.42 0.60 -0.21 -0.55 8.42 7.84 1zooB1 LYS 155 HA -0.34 -0.00 0.38 -0.75 4.32 3.60 1zooB1 LYS 155 HB2 -0.27 0.10 0.08 -0.04 1.87 1.74 1zooB1 LYS 155 HB3 -0.22 -0.08 -0.05 -0.04 1.79 1.39 1zooB1 LYS 155 HG2 -0.22 -0.09 -0.19 -0.04 1.46 0.92 1zooB1 LYS 155 HG3 -0.27 0.15 -0.05 -0.04 1.46 1.25 1zooB1 LYS 155 HD2 -0.15 -0.14 -0.24 -0.04 1.69 1.12 1zooB1 LYS 155 HD3 -0.16 0.07 -0.19 -0.04 1.68 1.36 1zooB1 LYS 155 HE2 -0.19 0.01 -0.27 -0.04 2.99 2.49 1zooB1 LYS 155 HE3 -0.18 0.02 -0.08 -0.04 2.99 2.70 1zooB1 ASP 156 H -0.50 0.63 -0.19 -0.55 8.40 7.80 1zooB1 ASP 156 HA -0.44 -0.01 0.34 -0.75 4.63 3.76 1zooB1 ASP 156 HB2 -1.09 0.15 0.17 -0.04 2.71 1.89 1zooB1 ASP 156 HB3 -2.45 -0.03 -0.06 -0.04 2.70 0.12 1zooB1 VAL 157 H -0.73 0.55 -0.21 -0.55 8.24 7.30 1zooB1 VAL 157 HA -0.08 0.04 0.41 -0.75 4.13 3.74 1zooB1 VAL 157 HB -0.33 0.12 0.14 -0.04 2.12 2.01 1zooB1 VAL 157 HG13 0.03 -0.01 -0.17 -0.04 0.97 0.79 1zooB1 VAL 157 HG23 -0.67 0.04 -0.01 -0.04 0.95 0.27 1zooB1 MET 158 H -0.44 0.52 -0.13 -0.55 8.47 7.87 1zooB1 MET 158 HA -0.70 0.03 0.18 -0.75 4.52 3.28 1zooB1 MET 158 HB2 -0.34 0.03 0.10 -0.04 2.15 1.90 1zooB1 MET 158 HB3 -0.33 -0.03 -0.06 -0.04 2.03 1.57 1zooB1 MET 158 HG2 -1.66 -0.03 -0.07 -0.04 2.63 0.83 1zooB1 MET 158 HG3 -0.53 0.23 0.03 -0.04 2.56 2.25 1zooB1 MET 158 HE3 -0.10 -0.00 -0.13 -0.04 2.10 1.83 1zooB1 LYS 159 H -0.21 0.58 -0.26 -0.55 8.42 7.97 1zooB1 LYS 159 HA -0.03 0.01 0.44 -0.75 4.32 3.99 1zooB1 LYS 159 HB2 -0.11 0.08 0.15 -0.04 1.87 1.95 1zooB1 LYS 159 HB3 -0.05 -0.05 0.04 -0.04 1.79 1.69 1zooB1 LYS 159 HG2 -0.08 -0.07 0.04 -0.04 1.46 1.30 1zooB1 LYS 159 HG3 -0.15 0.16 0.08 -0.04 1.46 1.51 1zooB1 LYS 159 HD2 -0.16 0.01 -0.16 -0.04 1.69 1.34 1zooB1 LYS 159 HD3 -0.09 -0.02 -0.03 -0.04 1.68 1.51 1zooB1 LYS 159 HE2 -0.10 -0.07 -0.01 -0.04 2.99 2.77 1zooB1 LYS 159 HE3 -0.15 -0.04 -0.09 -0.04 2.99 2.66 1zooB1 LYS 160 H -0.03 0.51 -0.12 -0.55 8.42 8.23 1zooB1 LYS 160 HA 0.04 -0.01 0.36 -0.75 4.32 3.96 1zooB1 LYS 160 HB2 0.26 -0.00 0.15 -0.04 1.87 2.24 1zooB1 LYS 160 HB3 0.11 0.08 0.13 -0.04 1.79 2.07 1zooB1 LYS 160 HG2 -0.02 -0.04 0.01 -0.04 1.46 1.37 1zooB1 LYS 160 HG3 0.00 0.02 -0.03 -0.04 1.46 1.41 1zooB1 LYS 160 HD2 0.02 0.02 0.10 -0.04 1.69 1.79 1zooB1 LYS 160 HD3 0.05 -0.05 0.03 -0.04 1.68 1.67 1zooB1 LYS 160 HE2 -0.10 -0.01 0.02 -0.04 2.99 2.86 1zooB1 LYS 160 HE3 -0.05 0.03 0.03 -0.04 2.99 2.95 1zooB1 LEU 161 H 0.01 0.43 -0.34 -0.55 8.37 7.92 1zooB1 LEU 161 HA 0.04 0.15 0.63 -0.75 4.35 4.42 1zooB1 LEU 161 HB2 0.23 0.02 -0.02 -0.04 1.64 1.83 1zooB1 LEU 161 HB3 -0.02 -0.12 0.12 -0.04 1.64 1.57 1zooB1 LEU 161 HG -0.06 0.05 -0.08 -0.04 1.64 1.52 1zooB1 LEU 161 HD13 -0.45 -0.03 -0.10 -0.04 0.93 0.30 1zooB1 LEU 161 HD23 -0.18 0.01 -0.09 -0.04 0.89 0.59 1zooB1 SER 162 H 0.08 0.37 -0.51 -0.55 8.46 7.85 1zooB1 SER 162 HA 0.25 -0.02 0.47 -0.75 4.49 4.43 1zooB1 SER 162 HB2 0.08 -0.09 0.12 -0.04 3.95 4.03 1zooB1 SER 162 HB3 0.09 0.02 0.19 -0.04 3.93 4.18 1zooB1 ASN 163 H 0.17 0.12 0.25 -0.55 8.53 8.52 1zooB1 ASN 163 HD21 0.02 -0.04 -0.04 -0.04 7.03 6.93 1zooB1 ASN 163 HD22 0.04 0.09 -0.14 -0.04 7.74 7.68 1zooB1 ASN 163 HA 0.08 0.01 0.39 -0.75 4.76 4.48 1zooB1 ASN 163 HB2 0.06 0.22 -0.03 -0.04 2.88 3.09 1zooB1 ASN 163 HB3 0.05 -0.06 0.21 -0.04 2.79 2.95 1zooB1 THR 164 H 0.17 0.17 -0.09 -0.55 8.28 7.98 1zooB1 THR 164 HA 0.10 0.18 0.85 -0.75 4.39 4.76 1zooB1 THR 164 HB 0.22 -0.15 0.21 -0.04 4.32 4.55 1zooB1 THR 164 HG23 0.11 0.07 -0.23 -0.04 1.22 1.13 1zooB1 SER 165 H 0.12 0.17 0.16 -0.55 8.46 8.36 1zooB1 SER 165 HA 0.01 0.12 0.60 -0.75 4.49 4.47 1zooB1 SER 165 HB2 -0.09 0.08 0.13 -0.04 3.95 4.03 1zooB1 SER 165 HB3 -0.10 -0.10 0.11 -0.04 3.93 3.80 1zooB1 TYR 166 H 0.27 0.00 -0.29 -0.55 8.29 7.72 1zooB1 TYR 166 HA -0.21 0.28 0.81 -0.75 4.56 4.69 1zooB1 TYR 166 HB2 -0.11 0.08 0.06 -0.04 3.06 3.05 1zooB1 TYR 166 HB3 -0.81 -0.02 -0.09 -0.04 2.98 2.02 1zooB1 TYR 166 HD2 -0.08 -0.05 -0.01 -0.04 7.15 6.97 1zooB1 TYR 166 HE2 0.03 -0.01 -0.03 -0.04 6.85 6.80 1zooB1 GLN 167 H -0.30 0.54 0.44 -0.55 8.47 8.60 1zooB1 GLN 167 HE21 -0.24 0.48 0.07 -0.04 6.97 7.24 1zooB1 GLN 167 HE22 -1.01 -0.16 -0.06 -0.04 7.69 6.41 1zooB1 GLN 167 HA -0.01 0.13 0.75 -0.75 4.36 4.48 1zooB1 GLN 167 HB2 0.34 0.01 0.09 -0.04 2.15 2.55 1zooB1 GLN 167 HB3 0.05 0.07 -0.12 -0.04 2.02 1.98 1zooB1 GLN 167 HG2 -0.25 -0.01 0.12 -0.04 2.40 2.22 1zooB1 GLN 167 HG3 0.15 -0.04 -0.25 -0.04 2.39 2.21 1zooB1 PHE 168 H -0.57 0.18 0.14 -0.55 8.34 7.53 1zooB1 PHE 168 HA 0.17 0.43 1.25 -0.75 4.62 5.72 1zooB1 PHE 168 HB2 -0.03 -0.06 -0.10 -0.04 3.15 2.92 1zooB1 PHE 168 HB3 0.12 0.04 0.05 -0.04 3.06 3.23 1zooB1 PHE 168 HD2 -0.69 0.00 -0.10 -0.04 7.28 6.44 1zooB1 PHE 168 HE2 -0.03 0.07 -0.18 -0.04 7.38 7.20 1zooB1 PHE 168 HZ -0.11 0.07 -0.17 -0.04 7.32 7.07 1zooB1 ALA 169 H -0.05 0.60 0.43 -0.55 8.40 8.84 1zooB1 ALA 169 HA -0.58 0.18 0.52 -0.75 4.34 3.71 1zooB1 ALA 169 HB3 -1.09 -0.01 0.00 -0.04 1.41 0.27 1zooB1 ALA 170 H -1.05 0.55 0.32 -0.55 8.40 7.67 1zooB1 ALA 170 HA -0.00 0.21 1.02 -0.75 4.34 4.81 1zooB1 ALA 170 HB3 -0.20 0.01 -0.00 -0.04 1.41 1.18 1zooB1 VAL 171 H 0.20 0.75 0.35 -0.55 8.24 8.98 1zooB1 VAL 171 HA 0.06 0.17 1.14 -0.75 4.13 4.74 1zooB1 VAL 171 HB 0.09 0.01 0.10 -0.04 2.12 2.29 1zooB1 VAL 171 HG13 0.15 -0.02 -0.34 -0.04 0.97 0.72 1zooB1 VAL 171 HG23 0.04 -0.02 -0.21 -0.04 0.95 0.72 1zooB1 GLN 172 H -0.08 0.60 0.33 -0.55 8.47 8.78 1zooB1 GLN 172 HE21 0.18 0.33 -0.07 -0.04 6.97 7.37 1zooB1 GLN 172 HE22 0.11 -0.01 -0.01 -0.04 7.69 7.74 1zooB1 GLN 172 HA -1.22 0.25 0.94 -0.75 4.36 3.58 1zooB1 GLN 172 HB2 -0.63 0.01 0.08 -0.04 2.15 1.56 1zooB1 GLN 172 HB3 -0.17 -0.01 0.16 -0.04 2.02 1.95 1zooB1 GLN 172 HG2 -0.24 -0.05 -0.17 -0.04 2.40 1.89 1zooB1 GLN 172 HG3 -0.55 0.12 0.00 -0.04 2.39 1.92 1zooB1 PHE 173 H -0.29 0.65 0.24 -0.55 8.34 8.39 1zooB1 PHE 173 HA -0.01 0.31 0.97 -0.75 4.62 5.14 1zooB1 PHE 173 HB2 0.22 0.01 -0.12 -0.04 3.15 3.22 1zooB1 PHE 173 HB3 0.01 0.03 -0.29 -0.04 3.06 2.77 1zooB1 PHE 173 HD2 0.02 0.06 -0.42 -0.04 7.28 6.89 1zooB1 PHE 173 HE2 0.02 0.03 -0.30 -0.04 7.38 7.09 1zooB1 PHE 173 HZ 0.01 0.01 -0.11 -0.04 7.32 7.18 1zooB1 SER 174 H 0.11 0.60 -0.06 -0.55 8.46 8.56 1zooB1 SER 174 HA -0.17 0.22 0.48 -0.75 4.49 4.28 1zooB1 SER 174 HB2 -0.14 0.08 -0.33 -0.04 3.95 3.51 1zooB1 SER 174 HB3 -0.10 -0.11 0.06 -0.04 3.93 3.74 1zooB1 THR 175 H -0.08 0.17 0.11 -0.55 8.28 7.92 1zooB1 THR 175 HA -0.01 0.03 0.64 -0.75 4.39 4.30 1zooB1 THR 175 HB -0.09 0.06 0.14 -0.04 4.32 4.39 1zooB1 THR 175 HG23 -0.07 0.04 -0.05 -0.04 1.22 1.10 1zooB1 SER 176 H -0.18 0.01 0.03 -0.55 8.46 7.77 1zooB1 SER 176 HA -0.99 0.28 0.86 -0.75 4.49 3.88 1zooB1 SER 176 HB2 -0.28 0.02 -0.07 -0.04 3.95 3.57 1zooB1 SER 176 HB3 -0.27 0.06 0.01 -0.04 3.93 3.69 1zooB1 TYR 177 H -0.69 0.23 0.14 -0.55 8.29 7.42 1zooB1 TYR 177 HA -0.15 0.29 1.07 -0.75 4.56 5.03 1zooB1 TYR 177 HB2 -1.29 0.04 -0.13 -0.04 3.06 1.63 1zooB1 TYR 177 HB3 -0.39 0.05 -0.08 -0.04 2.98 2.52 1zooB1 TYR 177 HD2 -0.22 0.04 -0.24 -0.04 7.15 6.69 1zooB1 TYR 177 HE2 0.02 0.08 -0.13 -0.04 6.85 6.78 1zooB1 LYS 178 H -0.03 0.62 0.23 -0.55 8.42 8.69 1zooB1 LYS 178 HA -0.01 0.13 0.84 -0.75 4.32 4.52 1zooB1 LYS 178 HB2 -0.04 0.01 -0.23 -0.04 1.87 1.57 1zooB1 LYS 178 HB3 -0.01 -0.05 0.06 -0.04 1.79 1.75 1zooB1 LYS 178 HG2 0.06 0.15 -0.41 -0.04 1.46 1.22 1zooB1 LYS 178 HG3 0.03 0.02 0.01 -0.04 1.46 1.48 1zooB1 LYS 178 HD2 0.02 -0.02 -0.05 -0.04 1.69 1.60 1zooB1 LYS 178 HD3 0.05 -0.07 -0.07 -0.04 1.68 1.55 1zooB1 LYS 178 HE2 0.08 0.11 -0.07 -0.04 2.99 3.07 1zooB1 LYS 178 HE3 0.05 -0.00 -0.03 -0.04 2.99 2.97 1zooB1 THR 179 H 0.16 0.18 0.09 -0.55 8.28 8.16 1zooB1 THR 179 HA 0.06 0.11 0.79 -0.75 4.39 4.59 1zooB1 THR 179 HB 0.10 0.00 0.15 -0.04 4.32 4.52 1zooB1 THR 179 HG23 -0.06 -0.02 -0.14 -0.04 1.22 0.96 1zooB1 GLU 180 H 0.03 0.52 0.45 -0.55 8.60 9.06 1zooB1 GLU 180 HA 0.14 0.08 0.62 -0.75 4.29 4.37 1zooB1 GLU 180 HB2 0.16 0.02 0.05 -0.04 2.09 2.28 1zooB1 GLU 180 HB3 0.25 0.03 0.07 -0.04 1.99 2.30 1zooB1 GLU 180 HG2 0.16 -0.00 0.04 -0.04 2.34 2.51 1zooB1 GLU 180 HG3 0.44 -0.04 -0.03 -0.04 2.34 2.67 1zooB1 PHE 181 H -0.13 0.31 0.11 -0.55 8.34 8.08 1zooB1 PHE 181 HA 0.06 0.04 0.35 -0.75 4.62 4.32 1zooB1 PHE 181 HB2 0.08 -0.03 0.15 -0.04 3.15 3.30 1zooB1 PHE 181 HB3 0.07 0.32 0.11 -0.04 3.06 3.51 1zooB1 PHE 181 HD2 0.08 0.19 -0.24 -0.04 7.28 7.27 1zooB1 PHE 181 HE2 0.04 0.16 -0.35 -0.04 7.38 7.19 1zooB1 PHE 181 HZ 0.05 0.01 -0.29 -0.04 7.32 7.04 1zooB1 ASP 182 H 0.18 0.09 0.17 -0.55 8.40 8.29 1zooB1 ASP 182 HA -0.24 0.24 1.12 -0.75 4.63 4.99 1zooB1 ASP 182 HB2 -0.06 0.06 0.34 -0.04 2.71 3.02 1zooB1 ASP 182 HB3 -0.04 0.05 0.12 -0.04 2.70 2.79 1zooB1 PHE 183 H -0.12 0.25 0.20 -0.55 8.34 8.12 1zooB1 PHE 183 HA 0.22 0.24 0.42 -0.75 4.62 4.75 1zooB1 PHE 183 HB2 0.04 0.14 0.10 -0.04 3.15 3.39 1zooB1 PHE 183 HB3 0.08 0.11 -0.17 -0.04 3.06 3.04 1zooB1 PHE 183 HD2 -0.01 0.03 -0.25 -0.04 7.28 7.01 1zooB1 PHE 183 HE2 -0.35 0.10 -0.20 -0.04 7.38 6.88 1zooB1 PHE 183 HZ -0.47 0.03 -0.40 -0.04 7.32 6.44 1zooB1 SER 184 H 0.21 0.31 -0.15 -0.55 8.46 8.29 1zooB1 SER 184 HA 0.15 0.12 0.32 -0.75 4.49 4.32 1zooB1 SER 184 HB2 0.11 -0.06 -0.00 -0.04 3.95 3.96 1zooB1 SER 184 HB3 0.09 0.03 -0.06 -0.04 3.93 3.95 1zooB1 ASP 185 H 0.18 0.01 -0.26 -0.55 8.40 7.78 1zooB1 ASP 185 HA 0.09 0.06 0.40 -0.75 4.63 4.42 1zooB1 ASP 185 HB2 0.30 0.13 0.14 -0.04 2.71 3.25 1zooB1 ASP 185 HB3 0.13 0.08 0.06 -0.04 2.70 2.94 1zooB1 TYR 186 H 0.36 0.46 -0.20 -0.55 8.29 8.36 1zooB1 TYR 186 HA -0.05 0.06 0.29 -0.75 4.56 4.11 1zooB1 TYR 186 HB2 0.37 0.13 0.12 -0.04 3.06 3.64 1zooB1 TYR 186 HB3 0.29 0.14 0.20 -0.04 2.98 3.56 1zooB1 TYR 186 HD2 0.09 0.02 -0.02 -0.04 7.15 7.20 1zooB1 TYR 186 HE2 0.14 0.09 0.02 -0.04 6.85 7.05 1zooB1 VAL 187 H 0.19 0.47 -0.19 -0.55 8.24 8.17 1zooB1 VAL 187 HA -0.16 0.04 0.41 -0.75 4.13 3.67 1zooB1 VAL 187 HB 0.06 0.04 0.13 -0.04 2.12 2.31 1zooB1 VAL 187 HG13 0.01 -0.02 -0.05 -0.04 0.97 0.87 1zooB1 VAL 187 HG23 0.17 0.11 0.05 -0.04 0.95 1.23 1zooB1 LYS 188 H 0.02 0.52 -0.15 -0.55 8.42 8.25 1zooB1 LYS 188 HA -0.02 -0.00 0.41 -0.75 4.32 3.96 1zooB1 LYS 188 HB2 0.02 -0.04 0.09 -0.04 1.87 1.91 1zooB1 LYS 188 HB3 0.02 0.06 0.14 -0.04 1.79 1.97 1zooB1 LYS 188 HG2 -0.01 0.02 -0.24 -0.04 1.46 1.18 1zooB1 LYS 188 HG3 0.00 -0.04 0.03 -0.04 1.46 1.41 1zooB1 LYS 188 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.63 1zooB1 LYS 188 HD3 0.02 0.00 -0.03 -0.04 1.68 1.64 1zooB1 LYS 188 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 1zooB1 LYS 188 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 1zooB1 ARG 189 H -0.07 0.58 -0.31 -0.55 8.46 8.10 1zooB1 ARG 189 HA -0.08 0.11 0.75 -0.75 4.34 4.36 1zooB1 ARG 189 HB2 -0.04 0.00 -0.08 -0.04 1.90 1.74 1zooB1 ARG 189 HB3 -0.05 0.05 0.14 -0.04 1.80 1.89 1zooB1 ARG 189 HG2 -0.05 -0.03 -0.01 -0.04 1.67 1.53 1zooB1 ARG 189 HG3 -0.09 -0.12 -0.07 -0.04 1.67 1.35 1zooB1 ARG 189 HD2 -0.06 0.09 0.01 -0.04 3.22 3.22 1zooB1 ARG 189 HD3 -0.04 -0.00 -0.00 -0.04 3.22 3.14 1zooB1 LYS 190 H -0.16 0.19 -0.08 -0.55 8.42 7.82 1zooB1 LYS 190 HA -0.44 0.14 0.54 -0.75 4.32 3.81 1zooB1 LYS 190 HB2 -0.26 -0.06 0.19 -0.04 1.87 1.70 1zooB1 LYS 190 HB3 -0.43 0.15 0.16 -0.04 1.79 1.63 1zooB1 LYS 190 HG2 -0.11 0.03 0.10 -0.04 1.46 1.44 1zooB1 LYS 190 HG3 -0.08 -0.06 0.16 -0.04 1.46 1.43 1zooB1 LYS 190 HD2 -0.06 0.04 0.10 -0.04 1.69 1.73 1zooB1 LYS 190 HD3 -0.03 -0.03 0.08 -0.04 1.68 1.66 1zooB1 LYS 190 HE2 0.03 -0.00 0.09 -0.04 2.99 3.08 1zooB1 LYS 190 HE3 0.02 0.01 0.14 -0.04 2.99 3.12 1zooB1 ASP 191 H -0.13 0.74 -0.07 -0.55 8.40 8.39 1zooB1 ASP 191 HA -0.06 0.23 0.85 -0.75 4.63 4.89 1zooB1 ASP 191 HB2 -0.07 0.09 -0.17 -0.04 2.71 2.52 1zooB1 ASP 191 HB3 -0.09 0.01 0.08 -0.04 2.70 2.66 1zooB1 PRO 192 HA -0.22 0.10 0.33 -0.51 4.44 4.13 1zooB1 PRO 192 HB2 -0.19 0.00 -0.03 -0.04 2.28 2.03 1zooB1 PRO 192 HB3 -0.16 0.08 0.02 -0.04 2.02 1.92 1zooB1 PRO 192 HG2 -0.12 -0.09 0.08 -0.04 2.03 1.86 1zooB1 PRO 192 HG3 -0.12 0.16 -0.00 -0.04 2.03 2.03 1zooB1 PRO 192 HD2 -0.05 0.16 0.16 -0.04 3.68 3.91 1zooB1 PRO 192 HD3 0.00 0.24 -0.08 -0.04 3.65 3.77 1zooB1 ASP 193 H -0.11 0.17 -0.20 -0.55 8.40 7.71 1zooB1 ASP 193 HA -0.12 0.09 0.30 -0.75 4.63 4.14 1zooB1 ASP 193 HB2 -0.08 -0.01 0.05 -0.04 2.71 2.62 1zooB1 ASP 193 HB3 -0.09 0.04 -0.00 -0.04 2.70 2.61 1zooB1 ALA 194 H -0.10 0.07 -0.28 -0.55 8.40 7.54 1zooB1 ALA 194 HA -0.11 0.05 0.35 -0.75 4.34 3.87 1zooB1 ALA 194 HB3 -0.08 0.04 0.06 -0.04 1.41 1.39 1zooB1 LEU 195 H -0.16 0.45 -0.22 -0.55 8.37 7.90 1zooB1 LEU 195 HA -0.12 0.05 0.42 -0.75 4.35 3.96 1zooB1 LEU 195 HB2 -0.42 -0.00 0.06 -0.04 1.64 1.23 1zooB1 LEU 195 HB3 -0.91 -0.07 -0.03 -0.04 1.64 0.59 1zooB1 LEU 195 HG -0.23 0.12 -0.01 -0.04 1.64 1.48 1zooB1 LEU 195 HD13 -0.44 -0.01 -0.20 -0.04 0.93 0.24 1zooB1 LEU 195 HD23 -0.29 0.02 -0.09 -0.04 0.89 0.50 1zooB1 LEU 196 H -0.10 0.45 -0.34 -0.55 8.37 7.83 1zooB1 LEU 196 HA 0.09 0.17 0.94 -0.75 4.35 4.80 1zooB1 LEU 196 HB2 -0.10 0.10 0.04 -0.04 1.64 1.64 1zooB1 LEU 196 HB3 -0.07 -0.09 0.15 -0.04 1.64 1.58 1zooB1 LEU 196 HG 0.11 0.00 -0.34 -0.04 1.64 1.37 1zooB1 LEU 196 HD13 -0.16 -0.01 -0.09 -0.04 0.93 0.62 1zooB1 LEU 196 HD23 0.12 -0.01 -0.07 -0.04 0.89 0.89 1zooB1 LYS 197 H -0.12 0.36 -0.26 -0.55 8.42 7.85 1zooB1 LYS 197 HA -0.08 0.08 0.41 -0.75 4.32 3.97 1zooB1 LYS 197 HB2 -0.18 -0.06 0.09 -0.04 1.87 1.68 1zooB1 LYS 197 HB3 -0.16 0.07 0.11 -0.04 1.79 1.78 1zooB1 LYS 197 HG2 -0.33 0.46 0.15 -0.04 1.46 1.69 1zooB1 LYS 197 HG3 -1.04 -0.04 -0.17 -0.04 1.46 0.17 1zooB1 LYS 197 HD2 -0.27 -0.06 -0.03 -0.04 1.69 1.30 1zooB1 LYS 197 HD3 -0.17 -0.06 0.03 -0.04 1.68 1.43 1zooB1 LYS 197 HE2 -0.15 0.09 0.06 -0.04 2.99 2.95 1zooB1 LYS 197 HE3 -0.33 -0.01 -0.00 -0.04 2.99 2.60 1zooB1 HIS 198 H -0.01 0.12 -0.34 -0.55 8.41 7.64 1zooB1 HIS 198 HA 0.05 0.23 0.84 -0.75 4.63 4.99 1zooB1 HIS 198 HB2 0.06 0.05 0.02 -0.04 3.26 3.36 1zooB1 HIS 198 HB3 0.05 -0.03 0.09 -0.04 3.20 3.27 1zooB1 HIS 198 HD2 0.04 0.05 -0.00 -0.04 6.97 7.01 1zooB1 HIS 198 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.66 1zooB1 VAL 199 H 0.13 0.19 -0.33 -0.55 8.24 7.67 1zooB1 VAL 199 HA 0.20 -0.02 0.28 -0.75 4.13 3.83 1zooB1 VAL 199 HB 0.17 0.10 0.06 -0.04 2.12 2.40 1zooB1 VAL 199 HG13 0.45 -0.04 -0.20 -0.04 0.97 1.14 1zooB1 VAL 199 HG23 0.18 -0.02 0.04 -0.04 0.95 1.10 1zooB1 LYS 200 H 0.16 0.14 0.13 -0.55 8.42 8.30 1zooB1 LYS 200 HA 0.11 0.15 0.85 -0.75 4.32 4.69 1zooB1 LYS 200 HB2 0.04 -0.06 0.08 -0.04 1.87 1.90 1zooB1 LYS 200 HB3 0.03 0.02 -0.02 -0.04 1.79 1.77 1zooB1 LYS 200 HG2 0.09 0.25 -0.09 -0.04 1.46 1.67 1zooB1 LYS 200 HG3 0.04 -0.06 -0.02 -0.04 1.46 1.38 1zooB1 LYS 200 HD2 0.05 -0.08 -0.02 -0.04 1.69 1.59 1zooB1 LYS 200 HD3 0.08 0.04 0.01 -0.04 1.68 1.77 1zooB1 LYS 200 HE2 0.11 0.24 -0.10 -0.04 2.99 3.20 1zooB1 LYS 200 HE3 0.07 -0.10 -0.04 -0.04 2.99 2.88 1zooB1 HIS 201 H 0.03 0.18 0.03 -0.55 8.41 8.11 1zooB1 HIS 201 HA -0.65 -0.04 0.43 -0.75 4.63 3.61 1zooB1 HIS 201 HB2 -0.89 0.01 0.09 -0.04 3.26 2.44 1zooB1 HIS 201 HB3 -0.37 0.03 0.13 -0.04 3.20 2.95 1zooB1 HIS 201 HD2 -0.30 -0.04 -0.07 -0.04 6.97 6.51 1zooB1 HIS 201 HE1 -0.18 0.16 -0.28 -0.04 7.75 7.41 1zooB1 MET 202 H -0.05 0.09 0.26 -0.55 8.47 8.23 1zooB1 MET 202 HA -0.11 0.11 0.35 -0.75 4.52 4.11 1zooB1 MET 202 HB2 -0.10 -0.04 0.04 -0.04 2.15 2.01 1zooB1 MET 202 HB3 -0.11 -0.11 -0.03 -0.04 2.03 1.74 1zooB1 MET 202 HG2 -0.06 0.04 -0.02 -0.04 2.63 2.55 1zooB1 MET 202 HG3 -0.04 0.13 0.09 -0.04 2.56 2.70 1zooB1 MET 202 HE3 -0.07 0.02 -0.18 -0.04 2.10 1.84 1zooB1 LEU 203 H -0.34 0.38 -0.06 -0.55 8.37 7.80 1zooB1 LEU 203 HA -0.43 0.08 -0.04 -0.75 4.35 3.20 1zooB1 LEU 203 HB2 -0.28 0.19 -0.19 -0.04 1.64 1.32 1zooB1 LEU 203 HB3 -0.27 -0.07 0.20 -0.04 1.64 1.46 1zooB1 LEU 203 HG -1.16 -0.04 -0.24 -0.04 1.64 0.16 1zooB1 LEU 203 HD13 -0.24 0.00 -0.05 -0.04 0.93 0.60 1zooB1 LEU 203 HD23 -0.47 0.00 0.00 -0.04 0.89 0.38 1zooB1 LEU 204 H -0.14 0.09 -0.17 -0.55 8.37 7.61 1zooB1 LEU 204 HA -0.09 0.33 0.98 -0.75 4.35 4.81 1zooB1 LEU 204 HB2 -0.09 -0.22 0.09 -0.04 1.64 1.38 1zooB1 LEU 204 HB3 -0.07 -0.11 0.20 -0.04 1.64 1.62 1zooB1 LEU 204 HG -0.11 0.31 -0.39 -0.04 1.64 1.41 1zooB1 LEU 204 HD13 -0.08 -0.03 -0.00 -0.04 0.93 0.78 1zooB1 LEU 204 HD23 -0.08 0.06 0.03 -0.04 0.89 0.86 1zooB1 LEU 205 H -0.05 0.06 0.04 -0.55 8.37 7.88 1zooB1 LEU 205 HA -0.03 0.20 0.60 -0.75 4.35 4.37 1zooB1 LEU 205 HB2 0.01 0.02 -0.00 -0.04 1.64 1.62 1zooB1 LEU 205 HB3 0.02 -0.13 0.15 -0.04 1.64 1.64 1zooB1 LEU 205 HG -0.03 -0.04 0.03 -0.04 1.64 1.56 1zooB1 LEU 205 HD13 0.00 0.03 0.03 -0.04 0.93 0.95 1zooB1 LEU 205 HD23 -0.01 0.03 -0.02 -0.04 0.89 0.85 1zooB1 THR 206 H 0.06 0.17 0.03 -0.55 8.28 7.99 1zooB1 THR 206 HA 0.11 0.21 0.79 -0.75 4.39 4.74 1zooB1 THR 206 HB 0.10 0.12 0.17 -0.04 4.32 4.67 1zooB1 THR 206 HG23 0.21 -0.01 -0.12 -0.04 1.22 1.26 1zooB1 ASN 207 H 0.25 0.88 0.02 -0.55 8.53 9.15 1zooB1 ASN 207 HD21 0.03 -0.03 0.08 -0.04 7.03 7.07 1zooB1 ASN 207 HD22 0.03 0.52 0.23 -0.04 7.74 8.48 1zooB1 ASN 207 HA 0.19 -0.07 0.64 -0.75 4.76 4.76 1zooB1 ASN 207 HB2 0.27 0.23 0.17 -0.04 2.88 3.51 1zooB1 ASN 207 HB3 0.24 -0.11 0.14 -0.04 2.79 3.01 1zooB1 THR 208 H 0.12 0.39 0.12 -0.55 8.28 8.37 1zooB1 THR 208 HA -0.66 0.10 0.23 -0.75 4.39 3.30 1zooB1 THR 208 HB -0.68 0.03 -0.02 -0.04 4.32 3.61 1zooB1 THR 208 HG23 -0.77 0.03 -0.08 -0.04 1.22 0.36 1zooB1 PHE 209 H 0.17 0.04 -0.18 -0.55 8.34 7.81 1zooB1 PHE 209 HA -0.03 0.16 0.30 -0.75 4.62 4.31 1zooB1 PHE 209 HB2 0.07 -0.11 -0.11 -0.04 3.15 2.96 1zooB1 PHE 209 HB3 0.06 0.12 -0.24 -0.04 3.06 2.96 1zooB1 PHE 209 HD2 0.17 -0.00 -0.39 -0.04 7.28 7.02 1zooB1 PHE 209 HE2 0.16 0.06 -0.14 -0.04 7.38 7.42 1zooB1 PHE 209 HZ -0.00 0.07 -0.06 -0.04 7.32 7.29 1zooB1 GLY 210 H 0.17 0.03 -0.23 -0.55 8.43 7.86 1zooB1 GLY 210 HA2 0.04 0.09 0.32 -0.51 4.01 3.95 1zooB1 GLY 210 HA3 0.15 0.09 0.23 -0.51 4.01 3.97 1zooB1 ALA 211 H -0.22 0.38 -0.33 -0.55 8.40 7.68 1zooB1 ALA 211 HA -1.13 0.01 0.27 -0.75 4.34 2.74 1zooB1 ALA 211 HB3 -0.53 0.03 -0.08 -0.04 1.41 0.79 1zooB1 ILE 212 H -0.33 0.58 -0.19 -0.55 8.25 7.76 1zooB1 ILE 212 HA -0.14 0.04 0.39 -0.75 4.18 3.72 1zooB1 ILE 212 HB -0.16 0.08 0.16 -0.04 1.89 1.92 1zooB1 ILE 212 HG12 -0.22 -0.01 -0.02 -0.04 1.49 1.20 1zooB1 ILE 212 HG13 -0.46 0.05 0.06 -0.04 1.21 0.82 1zooB1 ILE 212 HG23 -0.04 0.01 -0.06 -0.04 0.93 0.79 1zooB1 ILE 212 HD13 -0.42 0.00 -0.05 -0.04 0.88 0.37 1zooB1 ASN 213 H -0.09 0.47 -0.24 -0.55 8.53 8.12 1zooB1 ASN 213 HD21 0.14 0.42 0.20 -0.04 7.03 7.75 1zooB1 ASN 213 HD22 0.10 -0.02 -0.14 -0.04 7.74 7.64 1zooB1 ASN 213 HA -0.00 0.01 0.31 -0.75 4.76 4.33 1zooB1 ASN 213 HB2 -0.00 0.10 0.13 -0.04 2.88 3.06 1zooB1 ASN 213 HB3 0.02 -0.03 -0.01 -0.04 2.79 2.73 1zooB1 TYR 214 H -0.12 0.48 -0.30 -0.55 8.29 7.79 1zooB1 TYR 214 HA -0.06 0.02 0.36 -0.75 4.56 4.12 1zooB1 TYR 214 HB2 -0.42 0.01 0.03 -0.04 3.06 2.64 1zooB1 TYR 214 HB3 -0.46 0.17 0.09 -0.04 2.98 2.75 1zooB1 TYR 214 HD2 0.03 0.03 -0.17 -0.04 7.15 6.99 1zooB1 TYR 214 HE2 0.06 -0.00 -0.15 -0.04 6.85 6.72 1zooB1 VAL 215 H 0.00 0.52 -0.21 -0.55 8.24 8.00 1zooB1 VAL 215 HA -0.09 -0.02 0.40 -0.75 4.13 3.66 1zooB1 VAL 215 HB 0.03 0.18 0.13 -0.04 2.12 2.42 1zooB1 VAL 215 HG13 0.15 -0.00 -0.18 -0.04 0.97 0.90 1zooB1 VAL 215 HG23 0.03 0.02 -0.08 -0.04 0.95 0.88 1zooB1 ALA 216 H 0.02 0.51 -0.19 -0.55 8.40 8.19 1zooB1 ALA 216 HA 0.16 0.04 0.27 -0.75 4.34 4.05 1zooB1 ALA 216 HB3 0.01 0.05 -0.02 -0.04 1.41 1.41 1zooB1 THR 217 H -0.04 0.34 -0.29 -0.55 8.28 7.74 1zooB1 THR 217 HA 0.01 0.27 0.87 -0.75 4.39 4.78 1zooB1 THR 217 HB -0.01 -0.04 0.03 -0.04 4.32 4.26 1zooB1 THR 217 HG23 0.00 -0.01 -0.09 -0.04 1.22 1.08 1zooB1 GLU 218 H -0.22 0.49 -0.03 -0.55 8.60 8.30 1zooB1 GLU 218 HA -0.15 0.20 0.95 -0.75 4.29 4.53 1zooB1 GLU 218 HB2 -1.39 0.05 -0.02 -0.04 2.09 0.68 1zooB1 GLU 218 HB3 -0.43 -0.07 0.10 -0.04 1.99 1.55 1zooB1 GLU 218 HG2 -0.28 0.01 0.02 -0.04 2.34 2.05 1zooB1 GLU 218 HG3 -0.21 -0.08 -0.02 -0.04 2.34 2.00 1zooB1 VAL 219 H -0.15 0.31 -0.03 -0.55 8.24 7.82 1zooB1 VAL 219 HA -0.14 0.16 1.00 -0.75 4.13 4.40 1zooB1 VAL 219 HB -0.23 0.13 0.14 -0.04 2.12 2.12 1zooB1 VAL 219 HG13 -0.42 -0.02 -0.09 -0.04 0.97 0.39 1zooB1 VAL 219 HG23 -0.20 0.00 -0.16 -0.04 0.95 0.55 1zooB1 PHE 220 H 0.13 0.49 0.02 -0.55 8.34 8.43 1zooB1 PHE 220 HA 0.22 0.01 0.41 -0.75 4.62 4.51 1zooB1 PHE 220 HB2 0.02 0.21 0.18 -0.04 3.15 3.52 1zooB1 PHE 220 HB3 0.02 0.00 0.08 -0.04 3.06 3.12 1zooB1 PHE 220 HD2 0.02 0.03 -0.14 -0.04 7.28 7.15 1zooB1 PHE 220 HE2 0.04 0.04 -0.09 -0.04 7.38 7.32 1zooB1 PHE 220 HZ 0.09 0.15 -0.00 -0.04 7.32 7.52 1zooB1 ARG 221 H 0.16 0.54 0.11 -0.55 8.46 8.71 1zooB1 ARG 221 HA 0.07 0.19 0.76 -0.75 4.34 4.61 1zooB1 ARG 221 HB2 0.05 -0.03 -0.09 -0.04 1.90 1.79 1zooB1 ARG 221 HB3 0.04 -0.08 -0.05 -0.04 1.80 1.67 1zooB1 ARG 221 HG2 0.04 -0.15 -1.10 -0.04 1.67 0.41 1zooB1 ARG 221 HG3 -0.00 0.05 -0.32 -0.04 1.67 1.36 1zooB1 ARG 221 HD2 0.04 0.11 -0.05 -0.04 3.22 3.28 1zooB1 ARG 221 HD3 0.01 0.31 -0.12 -0.04 3.22 3.38 1zooB1 GLU 222 H 0.04 0.24 0.09 -0.55 8.60 8.42 1zooB1 GLU 222 HA 0.03 0.37 0.35 -0.75 4.29 4.29 1zooB1 GLU 222 HB2 0.02 0.03 0.11 -0.04 2.09 2.20 1zooB1 GLU 222 HB3 0.02 -0.04 0.06 -0.04 1.99 1.99 1zooB1 GLU 222 HG2 0.02 -0.04 0.05 -0.04 2.34 2.33 1zooB1 GLU 222 HG3 0.00 0.16 0.12 -0.04 2.34 2.59 1zooB1 GLU 223 H 0.04 0.08 -0.23 -0.55 8.60 7.95 1zooB1 GLU 223 HA 0.04 0.12 0.38 -0.75 4.29 4.08 1zooB1 GLU 223 HB2 0.04 0.04 -0.08 -0.04 2.09 2.05 1zooB1 GLU 223 HB3 0.03 0.03 0.09 -0.04 1.99 2.10 1zooB1 GLU 223 HG2 0.02 0.04 0.02 -0.04 2.34 2.38 1zooB1 GLU 223 HG3 0.03 -0.02 0.03 -0.04 2.34 2.33 1zooB1 LEU 224 H 0.07 0.26 -0.55 -0.55 8.37 7.60 1zooB1 LEU 224 HA 0.08 0.17 0.82 -0.75 4.35 4.66 1zooB1 LEU 224 HB2 0.10 0.17 0.17 -0.04 1.64 2.04 1zooB1 LEU 224 HB3 0.06 -0.13 0.27 -0.04 1.64 1.80 1zooB1 LEU 224 HG 0.04 -0.11 -0.09 -0.04 1.64 1.44 1zooB1 LEU 224 HD13 -0.01 -0.01 0.02 -0.04 0.93 0.89 1zooB1 LEU 224 HD23 0.04 0.01 -0.11 -0.04 0.89 0.80 1zooB1 GLY 225 H 0.09 0.47 -0.49 -0.55 8.43 7.96 1zooB1 GLY 225 HA2 0.09 0.08 0.23 -0.51 4.01 3.90 1zooB1 GLY 225 HA3 0.21 -0.07 0.51 -0.51 4.01 4.16 1zooB1 ALA 226 H 0.14 0.26 -0.29 -0.55 8.40 7.96 1zooB1 ALA 226 HA -0.51 0.03 0.34 -0.75 4.34 3.45 1zooB1 ALA 226 HB3 0.06 -0.01 -0.27 -0.04 1.41 1.15 1zooB1 ARG 227 H -0.24 0.12 0.09 -0.55 8.46 7.88 1zooB1 ARG 227 HA -0.05 0.20 0.72 -0.75 4.34 4.45 1zooB1 ARG 227 HB2 -0.12 -0.04 0.12 -0.04 1.90 1.82 1zooB1 ARG 227 HB3 -0.06 -0.04 -0.01 -0.04 1.80 1.65 1zooB1 ARG 227 HG2 -0.05 0.02 -0.02 -0.04 1.67 1.58 1zooB1 ARG 227 HG3 -0.10 0.10 -0.02 -0.04 1.67 1.60 1zooB1 ARG 227 HD2 -0.06 -0.05 -0.00 -0.04 3.22 3.06 1zooB1 ARG 227 HD3 -0.04 0.05 -0.02 -0.04 3.22 3.17 1zooB1 PRO 228 HA -0.02 0.04 0.29 -0.51 4.44 4.24 1zooB1 PRO 228 HB2 -0.02 -0.04 0.08 -0.04 2.28 2.25 1zooB1 PRO 228 HB3 -0.02 0.04 0.04 -0.04 2.02 2.03 1zooB1 PRO 228 HG2 -0.01 0.03 0.08 -0.04 2.03 2.09 1zooB1 PRO 228 HG3 -0.01 0.01 0.10 -0.04 2.03 2.09 1zooB1 PRO 228 HD2 -0.03 0.08 0.18 -0.04 3.68 3.88 1zooB1 PRO 228 HD3 -0.02 0.34 0.30 -0.04 3.65 4.23 1zooB1 ASP 229 H -0.04 0.04 -0.15 -0.55 8.40 7.71 1zooB1 ASP 229 HA -0.05 0.34 1.13 -0.75 4.63 5.29 1zooB1 ASP 229 HB2 -0.04 -0.04 0.05 -0.04 2.71 2.63 1zooB1 ASP 229 HB3 -0.04 0.02 0.18 -0.04 2.70 2.82 1zooB1 ALA 230 H -0.07 0.46 -0.07 -0.55 8.40 8.18 1zooB1 ALA 230 HA -0.08 0.06 0.40 -0.75 4.34 3.96 1zooB1 ALA 230 HB3 -0.11 -0.03 -0.15 -0.04 1.41 1.08 1zooB1 THR 231 H -0.10 0.74 0.32 -0.55 8.28 8.70 1zooB1 THR 231 HA -0.08 0.08 0.64 -0.75 4.39 4.27 1zooB1 THR 231 HB -0.09 -0.03 0.19 -0.04 4.32 4.36 1zooB1 THR 231 HG23 -0.03 0.01 -0.05 -0.04 1.22 1.10 1zooB1 LYS 232 H -0.13 0.19 0.24 -0.55 8.42 8.16 1zooB1 LYS 232 HA 0.00 0.22 0.81 -0.75 4.32 4.60 1zooB1 LYS 232 HB2 -0.35 -0.00 0.17 -0.04 1.87 1.65 1zooB1 LYS 232 HB3 -0.92 -0.03 0.01 -0.04 1.79 0.81 1zooB1 LYS 232 HG2 -0.47 -0.03 -0.05 -0.04 1.46 0.87 1zooB1 LYS 232 HG3 -0.26 0.13 0.02 -0.04 1.46 1.32 1zooB1 LYS 232 HD2 -0.40 -0.01 -0.05 -0.04 1.69 1.20 1zooB1 LYS 232 HD3 -1.10 -0.04 -0.03 -0.04 1.68 0.47 1zooB1 LYS 232 HE2 -0.17 -0.05 -0.07 -0.04 2.99 2.65 1zooB1 LYS 232 HE3 -0.17 0.07 -0.03 -0.04 2.99 2.82 1zooB1 VAL 233 H 0.23 0.64 0.41 -0.55 8.24 8.98 1zooB1 VAL 233 HA 0.09 0.24 0.96 -0.75 4.13 4.67 1zooB1 VAL 233 HB 0.14 -0.05 -0.01 -0.04 2.12 2.15 1zooB1 VAL 233 HG13 0.23 0.00 -0.15 -0.04 0.97 1.02 1zooB1 VAL 233 HG23 0.11 0.01 -0.27 -0.04 0.95 0.75 1zooB1 LEU 234 H 0.15 0.82 0.30 -0.55 8.37 9.09 1zooB1 LEU 234 HA 0.14 0.26 1.06 -0.75 4.35 5.05 1zooB1 LEU 234 HB2 0.17 -0.02 -0.18 -0.04 1.64 1.58 1zooB1 LEU 234 HB3 0.09 0.01 0.08 -0.04 1.64 1.78 1zooB1 LEU 234 HG 0.07 -0.04 -0.17 -0.04 1.64 1.46 1zooB1 LEU 234 HD13 0.10 0.02 -0.12 -0.04 0.93 0.89 1zooB1 LEU 234 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.85 1zooB1 ILE 235 H 0.07 0.72 0.31 -0.55 8.25 8.81 1zooB1 ILE 235 HA 0.23 0.20 0.97 -0.75 4.18 4.83 1zooB1 ILE 235 HB 0.17 -0.08 0.19 -0.04 1.89 2.13 1zooB1 ILE 235 HG12 -0.06 0.00 -0.18 -0.04 1.49 1.21 1zooB1 ILE 235 HG13 -0.03 -0.00 -0.10 -0.04 1.21 1.04 1zooB1 ILE 235 HG23 0.35 -0.01 -0.17 -0.04 0.93 1.06 1zooB1 ILE 235 HD13 0.10 0.04 -0.15 -0.04 0.88 0.82 1zooB1 ILE 236 H 0.18 0.82 0.28 -0.55 8.25 8.98 1zooB1 ILE 236 HA 0.18 0.20 0.93 -0.75 4.18 4.74 1zooB1 ILE 236 HB 0.08 0.00 0.22 -0.04 1.89 2.15 1zooB1 ILE 236 HG12 -0.06 -0.08 -0.06 -0.04 1.49 1.25 1zooB1 ILE 236 HG13 0.07 -0.06 -0.19 -0.04 1.21 0.99 1zooB1 ILE 236 HG23 -0.01 -0.03 -0.11 -0.04 0.93 0.73 1zooB1 ILE 236 HD13 -0.00 0.03 -0.11 -0.04 0.88 0.76 1zooB1 ILE 237 H 0.28 0.75 0.45 -0.55 8.25 9.18 1zooB1 ILE 237 HA 0.10 0.22 1.05 -0.75 4.18 4.80 1zooB1 ILE 237 HB 0.23 -0.11 0.20 -0.04 1.89 2.17 1zooB1 ILE 237 HG12 0.12 0.05 -0.20 -0.04 1.49 1.42 1zooB1 ILE 237 HG13 0.27 0.03 -0.37 -0.04 1.21 1.10 1zooB1 ILE 237 HG23 0.03 -0.01 -0.03 -0.04 0.93 0.88 1zooB1 ILE 237 HD13 0.26 -0.01 -0.07 -0.04 0.88 1.02 1zooB1 THR 238 H 0.10 0.83 0.42 -0.55 8.28 9.09 1zooB1 THR 238 HA 0.19 0.04 0.92 -0.75 4.39 4.78 1zooB1 THR 238 HB 0.34 0.05 -0.19 -0.04 4.32 4.49 1zooB1 THR 238 HG23 0.18 0.02 -0.10 -0.04 1.22 1.28 1zooB1 ASP 239 H 0.20 0.10 0.17 -0.55 8.40 8.32 1zooB1 ASP 239 HA 0.42 0.26 1.03 -0.75 4.63 5.58 1zooB1 ASP 239 HB2 0.36 0.13 0.15 -0.04 2.71 3.31 1zooB1 ASP 239 HB3 0.37 -0.03 -0.10 -0.04 2.70 2.89 1zooB1 GLY 240 H 0.29 0.18 0.02 -0.55 8.43 8.38 1zooB1 GLY 240 HA2 -0.43 0.12 0.48 -0.51 4.01 3.68 1zooB1 GLY 240 HA3 -0.18 0.04 0.28 -0.51 4.01 3.63 1zooB1 GLU 241 H -0.13 0.12 0.12 -0.55 8.60 8.16 1zooB1 GLU 241 HA 0.24 0.08 0.53 -0.75 4.29 4.39 1zooB1 GLU 241 HB2 0.04 -0.00 0.09 -0.04 2.09 2.18 1zooB1 GLU 241 HB3 0.13 0.07 0.10 -0.04 1.99 2.25 1zooB1 GLU 241 HG2 0.16 0.08 0.05 -0.04 2.34 2.59 1zooB1 GLU 241 HG3 -0.10 -0.03 0.08 -0.04 2.34 2.25 1zooB1 ALA 242 H 0.26 0.12 0.16 -0.55 8.40 8.40 1zooB1 ALA 242 HA 0.18 0.16 0.59 -0.75 4.34 4.51 1zooB1 ALA 242 HB3 0.29 -0.03 0.16 -0.04 1.41 1.79 1zooB1 THR 243 H 0.16 0.53 0.31 -0.55 8.28 8.73 1zooB1 THR 243 HA 0.10 0.28 0.87 -0.75 4.39 4.88 1zooB1 THR 243 HB 0.06 0.05 0.16 -0.04 4.32 4.55 1zooB1 THR 243 HG23 0.04 0.04 0.02 -0.04 1.22 1.28 1zooB1 ASP 244 H 0.22 -0.06 -0.07 -0.55 8.40 7.93 1zooB1 ASP 244 HA 0.07 0.28 0.84 -0.75 4.63 5.07 1zooB1 ASP 244 HB2 0.08 0.07 0.20 -0.04 2.71 3.02 1zooB1 ASP 244 HB3 0.12 0.05 -0.03 -0.04 2.70 2.80 1zooB1 SER 245 H -0.07 0.30 0.21 -0.55 8.46 8.36 1zooB1 SER 245 HA -0.89 0.12 0.52 -0.75 4.49 3.49 1zooB1 SER 245 HB2 -0.28 -0.01 0.13 -0.04 3.95 3.75 1zooB1 SER 245 HB3 -0.10 0.14 -0.14 -0.04 3.93 3.79 1zooB1 GLY 246 H -0.81 0.31 0.14 -0.55 8.43 7.52 1zooB1 GLY 246 HA2 -0.20 0.06 0.31 -0.51 4.01 3.67 1zooB1 GLY 246 HA3 -0.23 0.13 0.82 -0.51 4.01 4.22 1zooB1 ASN 247 H 0.05 0.28 0.18 -0.55 8.53 8.49 1zooB1 ASN 247 HD21 0.02 0.05 -0.03 -0.04 7.03 7.04 1zooB1 ASN 247 HD22 0.01 -0.01 -0.08 -0.04 7.74 7.62 1zooB1 ASN 247 HA 0.34 0.21 0.67 -0.75 4.76 5.23 1zooB1 ASN 247 HB2 0.09 -0.01 0.17 -0.04 2.88 3.09 1zooB1 ASN 247 HB3 0.04 0.12 -0.17 -0.04 2.79 2.74 1zooB1 ILE 248 H 0.18 0.26 0.10 -0.55 8.25 8.23 1zooB1 ILE 248 HA 0.12 0.19 0.76 -0.75 4.18 4.50 1zooB1 ILE 248 HB 0.05 0.02 0.13 -0.04 1.89 2.05 1zooB1 ILE 248 HG12 0.11 -0.03 -0.04 -0.04 1.49 1.49 1zooB1 ILE 248 HG13 0.06 -0.02 -0.14 -0.04 1.21 1.07 1zooB1 ILE 248 HG23 0.14 0.01 -0.13 -0.04 0.93 0.90 1zooB1 ILE 248 HD13 0.07 0.07 0.01 -0.04 0.88 1.00 1zooB1 ASP 249 H 0.07 0.09 -0.03 -0.55 8.40 7.98 1zooB1 ASP 249 HA 0.01 0.15 0.37 -0.75 4.63 4.41 1zooB1 ASP 249 HB2 0.02 -0.03 0.07 -0.04 2.71 2.73 1zooB1 ASP 249 HB3 0.01 0.09 0.02 -0.04 2.70 2.78 1zooB1 ALA 250 H 0.02 0.03 -0.34 -0.55 8.40 7.56 1zooB1 ALA 250 HA -0.01 0.13 0.36 -0.75 4.34 4.06 1zooB1 ALA 250 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 1zooB1 ALA 251 H 0.00 0.41 -0.45 -0.55 8.40 7.82 1zooB1 ALA 251 HA -0.05 0.20 0.83 -0.75 4.34 4.57 1zooB1 ALA 251 HB3 -0.01 0.01 0.01 -0.04 1.41 1.38 1zooB1 LYS 252 H -0.03 0.31 -0.21 -0.55 8.42 7.94 1zooB1 LYS 252 HA -0.06 0.16 0.37 -0.75 4.32 4.03 1zooB1 LYS 252 HB2 -0.03 0.14 0.16 -0.04 1.87 2.09 1zooB1 LYS 252 HB3 -0.05 -0.02 0.05 -0.04 1.79 1.73 1zooB1 LYS 252 HG2 -0.03 0.07 -0.01 -0.04 1.46 1.45 1zooB1 LYS 252 HG3 -0.01 0.02 -0.04 -0.04 1.46 1.40 1zooB1 LYS 252 HD2 -0.01 -0.05 0.07 -0.04 1.69 1.65 1zooB1 LYS 252 HD3 -0.03 0.02 0.02 -0.04 1.68 1.65 1zooB1 LYS 252 HE2 0.01 -0.17 -0.12 -0.04 2.99 2.67 1zooB1 LYS 252 HE3 -0.00 -0.04 -0.00 -0.04 2.99 2.90 1zooB1 ASP 253 H -0.08 0.12 -0.35 -0.55 8.40 7.54 1zooB1 ASP 253 HA -0.09 0.14 0.65 -0.75 4.63 4.57 1zooB1 ASP 253 HB2 -0.09 0.01 0.14 -0.04 2.71 2.73 1zooB1 ASP 253 HB3 -0.07 -0.04 0.04 -0.04 2.70 2.59 1zooB1 ILE 254 H -0.12 0.31 -0.40 -0.55 8.25 7.48 1zooB1 ILE 254 HA -0.18 0.15 0.70 -0.75 4.18 4.10 1zooB1 ILE 254 HB -0.10 0.19 0.07 -0.04 1.89 2.01 1zooB1 ILE 254 HG12 -0.48 0.00 -0.10 -0.04 1.49 0.87 1zooB1 ILE 254 HG13 -0.21 -0.10 -0.11 -0.04 1.21 0.75 1zooB1 ILE 254 HG23 -0.05 -0.03 -0.44 -0.04 0.93 0.38 1zooB1 ILE 254 HD13 -0.15 -0.01 -0.03 -0.04 0.88 0.64 1zooB1 ILE 255 H -0.08 0.61 0.26 -0.55 8.25 8.49 1zooB1 ILE 255 HA -0.24 0.03 0.55 -0.75 4.18 3.77 1zooB1 ILE 255 HB 0.07 -0.06 0.28 -0.04 1.89 2.14 1zooB1 ILE 255 HG12 -0.08 -0.01 0.04 -0.04 1.49 1.39 1zooB1 ILE 255 HG13 -0.04 0.17 0.18 -0.04 1.21 1.48 1zooB1 ILE 255 HG23 -0.02 -0.01 -0.08 -0.04 0.93 0.78 1zooB1 ILE 255 HD13 0.06 -0.01 0.00 -0.04 0.88 0.89 1zooB1 ARG 256 H -0.32 0.18 0.28 -0.55 8.46 8.04 1zooB1 ARG 256 HA 0.04 0.25 1.14 -0.75 4.34 5.01 1zooB1 ARG 256 HB2 -0.13 -0.07 0.20 -0.04 1.90 1.86 1zooB1 ARG 256 HB3 -0.01 0.04 0.01 -0.04 1.80 1.80 1zooB1 ARG 256 HG2 -0.00 -0.12 -0.06 -0.04 1.67 1.45 1zooB1 ARG 256 HG3 -0.06 -0.01 -0.40 -0.04 1.67 1.16 1zooB1 ARG 256 HD2 -0.03 0.22 0.01 -0.04 3.22 3.38 1zooB1 ARG 256 HD3 -0.04 -0.08 -0.07 -0.04 3.22 2.99 1zooB1 TYR 257 H 0.24 0.73 0.49 -0.55 8.29 9.20 1zooB1 TYR 257 HA 0.23 0.28 1.00 -0.75 4.56 5.31 1zooB1 TYR 257 HB2 0.15 -0.05 0.19 -0.04 3.06 3.31 1zooB1 TYR 257 HB3 0.14 -0.00 0.00 -0.04 2.98 3.08 1zooB1 TYR 257 HD2 0.14 0.05 -0.05 -0.04 7.15 7.25 1zooB1 TYR 257 HE2 0.03 0.07 -0.09 -0.04 6.85 6.81 1zooB1 ILE 258 H 0.19 0.76 0.42 -0.55 8.25 9.06 1zooB1 ILE 258 HA 0.13 0.27 1.02 -0.75 4.18 4.84 1zooB1 ILE 258 HB 0.11 0.03 -0.16 -0.04 1.89 1.83 1zooB1 ILE 258 HG12 0.03 -0.05 -0.23 -0.04 1.49 1.20 1zooB1 ILE 258 HG13 0.08 0.04 -0.00 -0.04 1.21 1.29 1zooB1 ILE 258 HG23 0.07 0.02 -0.01 -0.04 0.93 0.97 1zooB1 ILE 258 HD13 0.14 -0.02 -0.07 -0.04 0.88 0.88 1zooB1 ILE 259 H 0.07 0.73 0.35 -0.55 8.25 8.85 1zooB1 ILE 259 HA -0.04 0.27 1.01 -0.75 4.18 4.67 1zooB1 ILE 259 HB -0.02 -0.10 0.27 -0.04 1.89 2.00 1zooB1 ILE 259 HG12 -0.01 0.05 -0.11 -0.04 1.49 1.38 1zooB1 ILE 259 HG13 0.08 0.04 -0.26 -0.04 1.21 1.02 1zooB1 ILE 259 HG23 -0.17 -0.02 -0.18 -0.04 0.93 0.51 1zooB1 ILE 259 HD13 -0.13 -0.01 -0.12 -0.04 0.88 0.57 1zooB1 GLY 260 H -0.17 0.77 0.30 -0.55 8.43 8.78 1zooB1 GLY 260 HA2 -0.25 0.21 0.91 -0.51 4.01 4.37 1zooB1 GLY 260 HA3 -0.81 -0.01 0.30 -0.51 4.01 2.99 1zooB1 ILE 261 H 0.08 0.59 0.36 -0.55 8.25 8.73 1zooB1 ILE 261 HA -0.11 0.32 1.17 -0.75 4.18 4.80 1zooB1 ILE 261 HB -0.49 -0.05 -0.05 -0.04 1.89 1.25 1zooB1 ILE 261 HG12 -0.25 0.02 -0.31 -0.04 1.49 0.91 1zooB1 ILE 261 HG13 -0.15 0.10 -0.34 -0.04 1.21 0.78 1zooB1 ILE 261 HG23 -0.85 -0.02 -0.40 -0.04 0.93 -0.37 1zooB1 ILE 261 HD13 -0.23 -0.02 -0.14 -0.04 0.88 0.45 1zooB1 GLY 262 H -0.03 0.65 0.16 -0.55 8.43 8.66 1zooB1 GLY 262 HA2 0.04 0.26 0.36 -0.51 4.01 4.16 1zooB1 GLY 262 HA3 0.11 0.07 0.61 -0.51 4.01 4.30 1zooB1 LYS 263 H 0.07 0.17 0.19 -0.55 8.42 8.29 1zooB1 LYS 263 HA -0.01 0.10 0.31 -0.75 4.32 3.96 1zooB1 LYS 263 HB2 -0.13 0.04 0.10 -0.04 1.87 1.84 1zooB1 LYS 263 HB3 -0.04 0.02 0.16 -0.04 1.79 1.90 1zooB1 LYS 263 HG2 -0.07 -0.02 0.09 -0.04 1.46 1.43 1zooB1 LYS 263 HG3 -0.68 0.03 -0.14 -0.04 1.46 0.63 1zooB1 LYS 263 HD2 -0.10 0.01 0.03 -0.04 1.69 1.59 1zooB1 LYS 263 HD3 -0.18 0.03 0.00 -0.04 1.68 1.48 1zooB1 LYS 263 HE2 -0.17 0.03 -0.02 -0.04 2.99 2.79 1zooB1 LYS 263 HE3 -0.55 -0.01 -0.12 -0.04 2.99 2.27 1zooB1 HIS 264 H 0.02 0.18 -0.43 -0.55 8.41 7.63 1zooB1 HIS 264 HA -0.13 0.13 0.70 -0.75 4.63 4.57 1zooB1 HIS 264 HB2 -0.49 0.18 -0.06 -0.04 3.26 2.86 1zooB1 HIS 264 HB3 -0.40 -0.10 0.15 -0.04 3.20 2.81 1zooB1 HIS 264 HD2 -0.08 -0.01 0.05 -0.04 6.97 6.89 1zooB1 HIS 264 HE1 0.03 -0.00 0.02 -0.04 7.75 7.76 1zooB1 PHE 265 H 0.11 0.53 -0.41 -0.55 8.34 8.02 1zooB1 PHE 265 HA 0.06 0.08 0.70 -0.75 4.62 4.70 1zooB1 PHE 265 HB2 0.04 0.13 -0.13 -0.04 3.15 3.15 1zooB1 PHE 265 HB3 0.05 -0.02 0.01 -0.04 3.06 3.07 1zooB1 PHE 265 HD2 0.07 0.01 -0.53 -0.04 7.28 6.79 1zooB1 PHE 265 HE2 0.09 -0.01 -0.28 -0.04 7.38 7.14 1zooB1 PHE 265 HZ 0.10 0.09 -0.37 -0.04 7.32 7.11 1zooB1 GLN 266 H 0.05 0.23 -0.29 -0.55 8.47 7.90 1zooB1 GLN 266 HE21 -0.01 -0.02 0.04 -0.04 6.97 6.95 1zooB1 GLN 266 HE22 -0.02 0.06 0.07 -0.04 7.69 7.76 1zooB1 GLN 266 HA 0.07 0.22 0.72 -0.75 4.36 4.61 1zooB1 GLN 266 HB2 0.01 0.06 0.07 -0.04 2.15 2.24 1zooB1 GLN 266 HB3 0.02 -0.01 0.16 -0.04 2.02 2.15 1zooB1 GLN 266 HG2 0.04 0.05 -0.15 -0.04 2.40 2.30 1zooB1 GLN 266 HG3 0.01 -0.03 0.00 -0.04 2.39 2.33 1zooB1 THR 267 H 0.08 0.10 -0.34 -0.55 8.28 7.58 1zooB1 THR 267 HA 0.04 0.26 0.81 -0.75 4.39 4.74 1zooB1 THR 267 HB 0.03 -0.01 0.11 -0.04 4.32 4.40 1zooB1 THR 267 HG23 0.02 0.04 -0.14 -0.04 1.22 1.10 1zooB1 LYS 268 H 0.03 0.22 0.11 -0.55 8.42 8.23 1zooB1 LYS 268 HA 0.04 0.17 0.41 -0.75 4.32 4.18 1zooB1 LYS 268 HB2 0.02 0.06 0.10 -0.04 1.87 2.02 1zooB1 LYS 268 HB3 0.02 -0.01 0.08 -0.04 1.79 1.84 1zooB1 LYS 268 HG2 0.01 0.05 -0.01 -0.04 1.46 1.47 1zooB1 LYS 268 HG3 -0.00 -0.00 -0.11 -0.04 1.46 1.30 1zooB1 LYS 268 HD2 0.03 0.04 -0.01 -0.04 1.69 1.71 1zooB1 LYS 268 HD3 0.03 -0.07 0.09 -0.04 1.68 1.69 1zooB1 LYS 268 HE2 0.04 -0.05 -0.04 -0.04 2.99 2.89 1zooB1 LYS 268 HE3 0.03 0.03 -0.02 -0.04 2.99 2.99 1zooB1 GLU 269 H 0.03 0.05 -0.17 -0.55 8.60 7.97 1zooB1 GLU 269 HA 0.00 0.12 0.32 -0.75 4.29 3.98 1zooB1 GLU 269 HB2 0.03 -0.06 0.03 -0.04 2.09 2.06 1zooB1 GLU 269 HB3 0.02 0.08 -0.03 -0.04 1.99 2.02 1zooB1 GLU 269 HG2 0.01 0.08 0.01 -0.04 2.34 2.40 1zooB1 GLU 269 HG3 0.01 0.05 0.02 -0.04 2.34 2.38 1zooB1 SER 270 H 0.07 0.05 -0.22 -0.55 8.46 7.82 1zooB1 SER 270 HA 0.12 0.06 0.40 -0.75 4.49 4.32 1zooB1 SER 270 HB2 0.08 0.17 0.13 -0.04 3.95 4.28 1zooB1 SER 270 HB3 0.05 -0.03 0.11 -0.04 3.93 4.02 1zooB1 GLN 271 H 0.16 0.30 -0.33 -0.55 8.47 8.06 1zooB1 GLN 271 HE21 0.05 -0.10 -0.08 -0.04 6.97 6.81 1zooB1 GLN 271 HE22 0.11 0.63 0.08 -0.04 7.69 8.47 1zooB1 GLN 271 HA 0.16 0.04 0.36 -0.75 4.36 4.17 1zooB1 GLN 271 HB2 0.08 0.09 0.08 -0.04 2.15 2.35 1zooB1 GLN 271 HB3 0.09 -0.01 -0.02 -0.04 2.02 2.05 1zooB1 GLN 271 HG2 0.13 -0.04 -0.01 -0.04 2.40 2.44 1zooB1 GLN 271 HG3 0.17 0.09 -0.03 -0.04 2.39 2.58 1zooB1 GLU 272 H -0.00 0.44 -0.24 -0.55 8.60 8.25 1zooB1 GLU 272 HA -0.70 0.03 0.38 -0.75 4.29 3.24 1zooB1 GLU 272 HB2 -0.08 0.18 0.20 -0.04 2.09 2.35 1zooB1 GLU 272 HB3 -0.19 -0.05 -0.01 -0.04 1.99 1.69 1zooB1 GLU 272 HG2 -0.09 0.18 0.02 -0.04 2.34 2.41 1zooB1 GLU 272 HG3 -0.09 -0.06 -0.03 -0.04 2.34 2.12 1zooB1 THR 273 H 0.04 0.39 -0.30 -0.55 8.28 7.86 1zooB1 THR 273 HA -0.03 0.03 0.37 -0.75 4.39 4.01 1zooB1 THR 273 HB 0.11 -0.07 0.11 -0.04 4.32 4.43 1zooB1 THR 273 HG23 0.07 0.05 0.06 -0.04 1.22 1.36 1zooB1 LEU 274 H 0.12 0.40 -0.49 -0.55 8.37 7.86 1zooB1 LEU 274 HA 0.24 0.02 0.43 -0.75 4.35 4.29 1zooB1 LEU 274 HB2 0.14 0.21 0.05 -0.04 1.64 1.99 1zooB1 LEU 274 HB3 0.10 -0.03 -0.00 -0.04 1.64 1.66 1zooB1 LEU 274 HG 0.10 0.09 -0.01 -0.04 1.64 1.78 1zooB1 LEU 274 HD13 -0.53 -0.01 -0.08 -0.04 0.93 0.28 1zooB1 LEU 274 HD23 0.23 -0.03 -0.12 -0.04 0.89 0.94 1zooB1 HIS 275 H 0.21 0.41 -0.29 -0.55 8.41 8.19 1zooB1 HIS 275 HA -0.02 0.05 0.31 -0.75 4.63 4.22 1zooB1 HIS 275 HB2 -0.05 0.12 0.14 -0.04 3.26 3.43 1zooB1 HIS 275 HB3 -0.04 -0.03 -0.02 -0.04 3.20 3.08 1zooB1 HIS 275 HD2 -0.00 -0.04 0.03 -0.04 6.97 6.91 1zooB1 HIS 275 HE1 0.00 0.00 -0.15 -0.04 7.75 7.56 1zooB1 LYS 276 H -0.14 0.18 -0.21 -0.55 8.42 7.70 1zooB1 LYS 276 HA -0.10 0.10 0.38 -0.75 4.32 3.95 1zooB1 LYS 276 HB2 -0.15 -0.03 0.09 -0.04 1.87 1.74 1zooB1 LYS 276 HB3 -0.20 -0.01 0.08 -0.04 1.79 1.62 1zooB1 LYS 276 HG2 -1.13 0.07 -0.61 -0.04 1.46 -0.25 1zooB1 LYS 276 HG3 -0.37 -0.09 -0.10 -0.04 1.46 0.86 1zooB1 LYS 276 HD2 -0.68 0.20 0.02 -0.04 1.69 1.18 1zooB1 LYS 276 HD3 -1.85 -0.11 -0.04 -0.04 1.68 -0.36 1zooB1 LYS 276 HE2 0.00 -0.08 0.00 -0.04 2.99 2.87 1zooB1 LYS 276 HE3 -0.14 -0.03 0.03 -0.04 2.99 2.81 1zooB1 PHE 277 H -0.24 0.30 -0.55 -0.55 8.34 7.29 1zooB1 PHE 277 HA -0.13 0.06 0.69 -0.75 4.62 4.49 1zooB1 PHE 277 HB2 -0.07 0.16 0.02 -0.04 3.15 3.22 1zooB1 PHE 277 HB3 -0.12 -0.05 -0.02 -0.04 3.06 2.83 1zooB1 PHE 277 HD2 -0.21 0.06 -0.06 -0.04 7.28 7.03 1zooB1 PHE 277 HE2 -1.08 -0.08 -0.12 -0.04 7.38 6.06 1zooB1 PHE 277 HZ -0.73 -0.08 -0.08 -0.04 7.32 6.38 1zooB1 ALA 278 H 0.01 0.23 -0.13 -0.55 8.40 7.95 1zooB1 ALA 278 HA -0.05 0.12 0.68 -0.75 4.34 4.34 1zooB1 ALA 278 HB3 0.01 -0.01 0.01 -0.04 1.41 1.37 1zooB1 SER 279 H -0.41 0.65 0.34 -0.55 8.46 8.50 1zooB1 SER 279 HA -0.32 0.09 0.59 -0.75 4.49 4.10 1zooB1 SER 279 HB2 -2.46 0.03 0.06 -0.04 3.95 1.54 1zooB1 SER 279 HB3 -0.86 0.01 0.16 -0.04 3.93 3.19 1zooB1 LYS 280 H -0.22 0.14 0.16 -0.55 8.42 7.94 1zooB1 LYS 280 HA 0.04 -0.01 0.67 -0.75 4.32 4.26 1zooB1 LYS 280 HB2 -0.04 0.03 0.12 -0.04 1.87 1.94 1zooB1 LYS 280 HB3 0.01 -0.04 0.03 -0.04 1.79 1.75 1zooB1 LYS 280 HG2 -0.01 -0.09 0.01 -0.04 1.46 1.32 1zooB1 LYS 280 HG3 -0.05 0.12 -0.11 -0.04 1.46 1.37 1zooB1 LYS 280 HD2 -0.04 0.05 0.01 -0.04 1.69 1.67 1zooB1 LYS 280 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 1zooB1 LYS 280 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 1zooB1 LYS 280 HE3 -0.01 -0.00 -0.00 -0.04 2.99 2.93 1zooB1 PRO 281 HA 0.04 0.06 0.43 -0.51 4.44 4.46 1zooB1 PRO 281 HB2 0.01 -0.09 0.07 -0.04 2.28 2.22 1zooB1 PRO 281 HB3 0.03 0.09 0.11 -0.04 2.02 2.21 1zooB1 PRO 281 HG2 -0.01 -0.13 0.03 -0.04 2.03 1.88 1zooB1 PRO 281 HG3 0.01 0.10 0.07 -0.04 2.03 2.17 1zooB1 PRO 281 HD2 0.15 0.13 0.19 -0.04 3.68 4.11 1zooB1 PRO 281 HD3 0.10 0.14 0.30 -0.04 3.65 4.15 1zooB1 ALA 282 H -0.02 0.15 0.17 -0.55 8.40 8.15 1zooB1 ALA 282 HA -0.09 0.21 0.44 -0.75 4.34 4.15 1zooB1 ALA 282 HB3 -0.45 0.02 0.11 -0.04 1.41 1.05 1zooB1 SER 283 H -0.04 0.01 -0.21 -0.55 8.46 7.67 1zooB1 SER 283 HA -0.04 0.09 0.31 -0.75 4.49 4.10 1zooB1 SER 283 HB2 -0.02 0.06 0.05 -0.04 3.95 3.99 1zooB1 SER 283 HB3 -0.01 -0.04 0.08 -0.04 3.93 3.91 1zooB1 GLU 284 H -0.07 0.28 -0.57 -0.55 8.60 7.69 1zooB1 GLU 284 HA -0.15 0.17 0.87 -0.75 4.29 4.43 1zooB1 GLU 284 HB2 -0.19 -0.10 -0.02 -0.04 2.09 1.74 1zooB1 GLU 284 HB3 -0.53 0.12 0.01 -0.04 1.99 1.54 1zooB1 GLU 284 HG2 -0.69 0.02 -0.15 -0.04 2.34 1.48 1zooB1 GLU 284 HG3 -0.24 -0.03 0.01 -0.04 2.34 2.04 1zooB1 PHE 285 H -0.02 0.35 0.09 -0.55 8.34 8.20 1zooB1 PHE 285 HA -0.06 0.18 0.81 -0.75 4.62 4.79 1zooB1 PHE 285 HB2 -0.18 0.24 0.08 -0.04 3.15 3.25 1zooB1 PHE 285 HB3 -0.32 0.07 0.33 -0.04 3.06 3.10 1zooB1 PHE 285 HD2 -1.02 0.07 -0.37 -0.04 7.28 5.92 1zooB1 PHE 285 HE2 -0.25 0.10 -0.22 -0.04 7.38 6.98 1zooB1 PHE 285 HZ -0.09 -0.01 -0.08 -0.04 7.32 7.10 1zooB1 VAL 286 H -0.01 0.60 0.02 -0.55 8.24 8.30 1zooB1 VAL 286 HA 0.04 0.18 1.07 -0.75 4.13 4.66 1zooB1 VAL 286 HB -0.13 0.03 0.07 -0.04 2.12 2.06 1zooB1 VAL 286 HG13 -0.02 -0.02 -0.16 -0.04 0.97 0.73 1zooB1 VAL 286 HG23 -0.22 -0.03 -0.06 -0.04 0.95 0.61 1zooB1 LYS 287 H 0.02 0.74 0.40 -0.55 8.42 9.03 1zooB1 LYS 287 HA -0.01 0.17 0.88 -0.75 4.32 4.60 1zooB1 LYS 287 HB2 -0.02 -0.10 0.14 -0.04 1.87 1.85 1zooB1 LYS 287 HB3 -0.03 -0.05 -0.00 -0.04 1.79 1.68 1zooB1 LYS 287 HG2 0.12 0.07 -0.27 -0.04 1.46 1.34 1zooB1 LYS 287 HG3 0.04 -0.05 -0.11 -0.04 1.46 1.30 1zooB1 LYS 287 HD2 0.01 -0.09 -0.05 -0.04 1.69 1.52 1zooB1 LYS 287 HD3 0.03 0.17 -0.25 -0.04 1.68 1.59 1zooB1 LYS 287 HE2 0.19 0.03 -0.12 -0.04 2.99 3.05 1zooB1 LYS 287 HE3 0.03 -0.09 -0.07 -0.04 2.99 2.82 1zooB1 ILE 288 H -0.04 0.24 0.13 -0.55 8.25 8.03 1zooB1 ILE 288 HA -0.12 0.30 1.04 -0.75 4.18 4.65 1zooB1 ILE 288 HB -0.02 -0.02 0.08 -0.04 1.89 1.89 1zooB1 ILE 288 HG12 -0.03 0.02 -0.26 -0.04 1.49 1.18 1zooB1 ILE 288 HG13 0.00 -0.01 -0.08 -0.04 1.21 1.07 1zooB1 ILE 288 HG23 -0.01 -0.01 -0.16 -0.04 0.93 0.71 1zooB1 ILE 288 HD13 -0.13 0.05 -0.12 -0.04 0.88 0.64 1zooB1 LEU 289 H -0.10 0.72 0.29 -0.55 8.37 8.73 1zooB1 LEU 289 HA -0.05 0.16 0.94 -0.75 4.35 4.63 1zooB1 LEU 289 HB2 -0.17 -0.02 0.00 -0.04 1.64 1.41 1zooB1 LEU 289 HB3 -0.11 -0.04 0.02 -0.04 1.64 1.47 1zooB1 LEU 289 HG -0.12 0.02 -0.39 -0.04 1.64 1.11 1zooB1 LEU 289 HD13 -0.19 -0.02 -0.25 -0.04 0.93 0.42 1zooB1 LEU 289 HD23 -0.06 0.05 -0.10 -0.04 0.89 0.74 1zooB1 ASP 290 H -0.03 0.21 0.15 -0.55 8.40 8.18 1zooB1 ASP 290 HA 0.01 0.15 0.51 -0.75 4.63 4.55 1zooB1 ASP 290 HB2 0.01 0.02 0.07 -0.04 2.71 2.76 1zooB1 ASP 290 HB3 0.01 0.09 0.07 -0.04 2.70 2.83 1zooB1 THR 291 H -0.04 0.11 -0.07 -0.55 8.28 7.73 1zooB1 THR 291 HA 0.00 0.24 0.80 -0.75 4.39 4.69 1zooB1 THR 291 HB 0.10 -0.04 0.15 -0.04 4.32 4.49 1zooB1 THR 291 HG23 0.04 0.05 -0.20 -0.04 1.22 1.07 1zooB1 PHE 292 H 0.34 0.22 0.13 -0.55 8.34 8.48 1zooB1 PHE 292 HA -0.01 0.18 0.46 -0.75 4.62 4.50 1zooB1 PHE 292 HB2 0.01 -0.01 0.09 -0.04 3.15 3.20 1zooB1 PHE 292 HB3 -0.01 0.11 0.07 -0.04 3.06 3.19 1zooB1 PHE 292 HD2 0.02 0.02 0.02 -0.04 7.28 7.30 1zooB1 PHE 292 HE2 0.07 0.03 -0.10 -0.04 7.38 7.35 1zooB1 PHE 292 HZ 0.10 0.04 -0.10 -0.04 7.32 7.32 1zooB1 GLU 293 H 0.13 0.04 -0.15 -0.55 8.60 8.08 1zooB1 GLU 293 HA 0.06 0.15 0.38 -0.75 4.29 4.13 1zooB1 GLU 293 HB2 0.06 0.08 0.08 -0.04 2.09 2.26 1zooB1 GLU 293 HB3 0.06 -0.10 0.06 -0.04 1.99 1.97 1zooB1 GLU 293 HG2 0.03 -0.01 -0.39 -0.04 2.34 1.93 1zooB1 GLU 293 HG3 0.03 0.07 -0.03 -0.04 2.34 2.38 1zooB1 LYS 294 H 0.01 0.06 -0.53 -0.55 8.42 7.42 1zooB1 LYS 294 HA 0.01 0.05 0.30 -0.75 4.32 3.92 1zooB1 LYS 294 HB2 -0.06 0.29 0.11 -0.04 1.87 2.17 1zooB1 LYS 294 HB3 -0.03 0.05 0.11 -0.04 1.79 1.87 1zooB1 LYS 294 HG2 -0.00 -0.10 0.04 -0.04 1.46 1.36 1zooB1 LYS 294 HG3 -0.02 -0.07 0.11 -0.04 1.46 1.44 1zooB1 LYS 294 HD2 -0.00 0.07 0.05 -0.04 1.69 1.77 1zooB1 LYS 294 HD3 0.01 -0.02 -0.07 -0.04 1.68 1.56 1zooB1 LYS 294 HE2 0.01 0.08 -0.02 -0.04 2.99 3.02 1zooB1 LYS 294 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.90 1zooB1 LEU 295 H -0.01 0.45 -0.65 -0.55 8.37 7.61 1zooB1 LEU 295 HA -0.16 0.04 0.40 -0.75 4.35 3.88 1zooB1 LEU 295 HB2 0.01 0.19 0.06 -0.04 1.64 1.85 1zooB1 LEU 295 HB3 -0.05 0.01 -0.01 -0.04 1.64 1.55 1zooB1 LEU 295 HG -0.17 -0.08 -0.02 -0.04 1.64 1.33 1zooB1 LEU 295 HD13 0.02 0.02 -0.11 -0.04 0.93 0.81 1zooB1 LEU 295 HD23 -0.70 0.00 -0.04 -0.04 0.89 0.11 1zooB1 LYS 296 H 0.05 0.47 -0.24 -0.55 8.42 8.14 1zooB1 LYS 296 HA 0.16 0.11 0.51 -0.75 4.32 4.34 1zooB1 LYS 296 HB2 0.06 0.03 0.13 -0.04 1.87 2.05 1zooB1 LYS 296 HB3 0.08 0.01 0.04 -0.04 1.79 1.87 1zooB1 LYS 296 HG2 0.06 0.01 0.02 -0.04 1.46 1.50 1zooB1 LYS 296 HG3 0.05 0.02 0.12 -0.04 1.46 1.62 1zooB1 LYS 296 HD2 0.04 -0.02 0.06 -0.04 1.69 1.73 1zooB1 LYS 296 HD3 0.04 0.01 0.02 -0.04 1.68 1.71 1zooB1 LYS 296 HE2 0.02 0.02 -0.00 -0.04 2.99 2.99 1zooB1 LYS 296 HE3 0.03 -0.05 0.02 -0.04 2.99 2.95 1zooB1 ASP 297 H 0.05 0.09 -0.20 -0.55 8.40 7.79 1zooB1 ASP 297 HA 0.04 0.08 0.35 -0.75 4.63 4.34 1zooB1 ASP 297 HB2 0.01 0.14 0.21 -0.04 2.71 3.03 1zooB1 ASP 297 HB3 0.01 0.03 0.02 -0.04 2.70 2.72 1zooB1 LEU 298 H 0.03 0.63 0.01 -0.55 8.37 8.50 1zooB1 LEU 298 HA 0.04 0.03 0.35 -0.75 4.35 4.02 1zooB1 LEU 298 HB2 -0.05 -0.02 0.06 -0.04 1.64 1.59 1zooB1 LEU 298 HB3 -0.04 0.06 0.08 -0.04 1.64 1.70 1zooB1 LEU 298 HG 0.14 0.03 -0.20 -0.04 1.64 1.56 1zooB1 LEU 298 HD13 -0.00 0.00 -0.01 -0.04 0.93 0.88 1zooB1 LEU 298 HD23 -0.28 -0.00 -0.10 -0.04 0.89 0.47 1zooB1 PHE 299 H 0.33 0.42 -0.39 -0.55 8.34 8.15 1zooB1 PHE 299 HA 0.16 0.04 0.43 -0.75 4.62 4.49 1zooB1 PHE 299 HB2 0.24 0.01 0.09 -0.04 3.15 3.45 1zooB1 PHE 299 HB3 0.09 0.09 0.11 -0.04 3.06 3.32 1zooB1 PHE 299 HD2 -0.07 -0.01 -0.05 -0.04 7.28 7.11 1zooB1 PHE 299 HE2 -0.10 0.02 -0.10 -0.04 7.38 7.15 1zooB1 PHE 299 HZ -0.09 0.06 -0.04 -0.04 7.32 7.22 1zooB1 THR 300 H 0.07 0.36 -0.24 -0.55 8.28 7.93 1zooB1 THR 300 HA -0.25 0.02 0.38 -0.75 4.39 3.78 1zooB1 THR 300 HB -0.01 0.17 0.23 -0.04 4.32 4.67 1zooB1 THR 300 HG23 -0.05 -0.02 -0.09 -0.04 1.22 1.02 1zooB1 GLU 301 H -0.02 0.51 -0.15 -0.55 8.60 8.40 1zooB1 GLU 301 HA -0.04 0.01 0.35 -0.75 4.29 3.86 1zooB1 GLU 301 HB2 0.01 0.17 0.17 -0.04 2.09 2.40 1zooB1 GLU 301 HB3 -0.01 -0.02 -0.01 -0.04 1.99 1.91 1zooB1 GLU 301 HG2 -0.01 -0.04 -0.01 -0.04 2.34 2.24 1zooB1 GLU 301 HG3 -0.00 0.19 -0.01 -0.04 2.34 2.48 1zooB1 LEU 302 H -0.01 0.58 -0.08 -0.55 8.37 8.32 1zooB1 LEU 302 HA -0.02 0.04 0.35 -0.75 4.35 3.96 1zooB1 LEU 302 HB2 0.01 -0.02 0.04 -0.04 1.64 1.63 1zooB1 LEU 302 HB3 0.06 0.02 0.09 -0.04 1.64 1.77 1zooB1 LEU 302 HG -0.02 0.21 0.09 -0.04 1.64 1.88 1zooB1 LEU 302 HD13 0.03 -0.01 -0.23 -0.04 0.93 0.68 1zooB1 LEU 302 HD23 0.30 -0.02 -0.10 -0.04 0.89 1.03 1zooB1 GLN 303 H -0.23 0.43 -0.38 -0.55 8.47 7.74 1zooB1 GLN 303 HE21 -0.54 -0.10 -0.07 -0.04 6.97 6.22 1zooB1 GLN 303 HE22 -0.83 0.14 -0.12 -0.04 7.69 6.84 1zooB1 GLN 303 HA -0.18 0.05 0.43 -0.75 4.36 3.91 1zooB1 GLN 303 HB2 -0.32 0.18 0.13 -0.04 2.15 2.10 1zooB1 GLN 303 HB3 -0.25 -0.05 0.05 -0.04 2.02 1.74 1zooB1 GLN 303 HG2 -0.36 -0.03 0.02 -0.04 2.40 2.00 1zooB1 GLN 303 HG3 -0.83 0.13 0.04 -0.04 2.39 1.70 1zooB1 LYS 304 H -0.12 0.41 -0.32 -0.55 8.42 7.84 1zooB1 LYS 304 HA -0.14 0.03 0.42 -0.75 4.32 3.86 1zooB1 LYS 304 HB2 -0.05 0.15 0.10 -0.04 1.87 2.03 1zooB1 LYS 304 HB3 -0.05 -0.09 0.14 -0.04 1.79 1.75 1zooB1 LYS 304 HG2 -0.09 0.26 0.16 -0.04 1.46 1.76 1zooB1 LYS 304 HG3 -0.05 -0.11 0.04 -0.04 1.46 1.30 1zooB1 LYS 304 HD2 -0.06 -0.06 0.02 -0.04 1.69 1.55 1zooB1 LYS 304 HD3 -0.11 0.01 -0.07 -0.04 1.68 1.48 1zooB1 LYS 304 HE2 -0.07 -0.08 -0.03 -0.04 2.99 2.78 1zooB1 LYS 304 HE3 -0.07 -0.06 -0.02 -0.04 2.99 2.80 1zooB1 LYS 305 H -0.10 0.34 -0.79 -0.55 8.42 7.31 1zooB1 LYS 305 HA 0.11 0.11 0.67 -0.75 4.32 4.45 1zooB1 LYS 305 HB2 0.01 0.18 0.09 -0.04 1.87 2.11 1zooB1 LYS 305 HB3 0.11 -0.08 0.15 -0.04 1.79 1.93 1zooB1 LYS 305 HG2 0.00 0.06 -0.13 -0.04 1.46 1.35 1zooB1 LYS 305 HG3 0.03 -0.06 -0.03 -0.04 1.46 1.36 1zooB1 LYS 305 HD2 0.11 -0.04 -0.03 -0.04 1.69 1.69 1zooB1 LYS 305 HD3 0.12 0.13 -0.22 -0.04 1.68 1.66 1zooB1 LYS 305 HE2 0.02 0.01 -0.10 -0.04 2.99 2.88 1zooB1 LYS 305 HE3 0.03 -0.03 -0.06 -0.04 2.99 2.89 1zooB1 ILE 306 H -0.29 0.45 -0.30 -0.55 8.25 7.56 1zooB1 ILE 306 HA -0.04 0.07 0.76 -0.75 4.18 4.22 1zooB1 ILE 306 HB -0.17 0.12 0.21 -0.04 1.89 2.00 1zooB1 ILE 306 HG12 -0.05 -0.01 -0.04 -0.04 1.49 1.34 1zooB1 ILE 306 HG13 -0.10 0.05 -0.01 -0.04 1.21 1.10 1zooB1 ILE 306 HG23 -0.05 -0.02 -0.10 -0.04 0.93 0.72 1zooB1 ILE 306 HD13 -0.09 -0.01 -0.01 -0.04 0.88 0.72 1zooB1 TYR 307 H 0.12 0.24 0.18 -0.55 8.29 8.28 1zooB1 TYR 307 HA 0.01 0.16 0.73 -0.75 4.56 4.70 1zooB1 TYR 307 HB2 0.02 -0.03 -0.11 -0.04 3.06 2.91 1zooB1 TYR 307 HB3 0.01 0.00 -0.05 -0.04 2.98 2.90 1zooB1 TYR 307 HD2 0.01 0.03 -0.14 -0.04 7.15 7.00 1zooB1 TYR 307 HE2 -0.00 -0.04 -0.04 -0.04 6.85 6.72 1zooB1 VAL 308 H 0.14 0.17 0.09 -0.55 8.24 8.09 1zooB1 VAL 308 HA 0.08 0.13 0.79 -0.75 4.13 4.37 1zooB1 VAL 308 HB 0.06 -0.04 0.17 -0.04 2.12 2.26 1zooB1 VAL 308 HG13 0.04 0.03 -0.04 -0.04 0.97 0.96 1zooB1 VAL 308 HG23 0.04 0.01 -0.01 -0.04 0.95 0.95 1zooB1 ILE 309 H 0.07 0.18 0.13 -0.55 8.25 8.09 1zooB1 ILE 309 HA 0.04 0.09 0.58 -0.75 4.18 4.13 1zooB1 ILE 309 HB 0.04 0.04 0.06 -0.04 1.89 1.98 1zooB1 ILE 309 HG12 0.08 0.10 0.03 -0.04 1.49 1.66 1zooB1 ILE 309 HG13 0.05 0.04 0.02 -0.04 1.21 1.28 1zooB1 ILE 309 HG23 0.01 -0.02 0.02 -0.04 0.93 0.91 1zooB1 ILE 309 HD13 0.06 -0.00 -0.16 -0.04 0.88 0.73 1zooB1 GLU 310 H 0.01 0.12 0.06 -0.55 8.60 8.24 1zooB1 GLU 310 HA 0.01 0.15 0.31 -0.75 4.29 4.01 1zooB1 GLU 310 HB2 0.00 0.02 0.08 -0.04 2.09 2.16 1zooB1 GLU 310 HB3 0.00 0.00 0.09 -0.04 1.99 2.04 1zooB1 GLU 310 HG2 0.00 -0.00 0.04 -0.04 2.34 2.34 1zooB1 GLU 310 HG3 0.01 0.02 0.04 -0.04 2.34 2.37