============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TRP 1 1.040 48.811 4.410 -6.800 -99.200 -91.000 TRP6 1 1.020 48.819 2.140 -6.034 -99.200 -91.000 HIS 4 0.900 54.420 13.317 2.840 -99.200 -91.000 TYR 25 0.840 43.828 5.571 27.191 -99.200 -91.000 PHE 30 1.000 41.497 11.590 25.183 -99.200 -91.000 HIS 32 0.900 34.212 8.225 28.048 -99.200 -91.000 TRP 41 1.040 37.337 12.775 -4.121 -99.200 -91.000 TRP6 41 1.020 35.541 14.192 -4.847 -99.200 -91.000 PHE 43 1.000 36.770 8.058 -7.782 -99.200 -91.000 PHE 44 1.000 27.818 8.538 -9.883 -99.200 -91.000 TRP 55 1.040 31.644 14.786 10.706 -99.200 -91.000 TRP6 55 1.020 30.351 15.322 8.803 -99.200 -91.000 TRP 56 1.040 33.578 7.337 12.392 -99.200 -91.000 TRP6 56 1.020 34.741 5.615 13.558 -99.200 -91.000 TYR 63 0.840 24.691 15.158 8.930 -99.200 -91.000 TYR 64 0.840 25.470 8.779 4.995 -99.200 -91.000 TYR 78 0.840 34.348 20.449 8.390 -99.200 -91.000 TYR 96 0.840 28.409 13.626 23.387 -99.200 -91.000 HIS 101 0.900 29.718 12.461 29.876 -99.200 -91.000 PHE 105 1.000 34.600 17.522 14.800 -99.200 -91.000 HIS 107 0.900 38.119 19.248 12.287 -99.200 -91.000 HIS 113 0.900 38.145 19.032 7.885 -99.200 -91.000 TRP 127 1.040 30.927 19.938 19.571 -99.200 -91.000 TRP6 127 1.020 30.529 19.306 17.315 -99.200 -91.000 HIS 132 0.900 44.804 13.580 12.974 -99.200 -91.000 TYR 135 0.840 51.815 15.511 4.769 -99.200 -91.000 TYR 144 0.840 42.880 3.929 13.316 -99.200 -91.000 HIS 145 0.900 37.619 0.121 12.945 -99.200 -91.000 PHE 147 1.000 36.490 7.382 5.154 -99.200 -91.000 HIS 152 0.900 40.335 -3.719 2.292 -99.200 -91.000 PHE 159 1.000 28.408 1.863 -5.038 -99.200 -91.000 TYR 162 0.840 23.765 11.533 -4.338 -99.200 -91.000 TRP 168 1.040 27.628 -0.954 -0.757 -99.200 -91.000 TRP6 168 1.020 29.442 -0.031 0.444 -99.200 -91.000 TRP 172 1.040 30.187 -1.519 4.602 -99.200 -91.000 TRP6 172 1.020 31.460 -0.080 6.012 -99.200 -91.000 PHE 173 1.000 28.303 4.644 6.833 -99.200 -91.000 PHE 180 1.000 33.691 -1.504 11.655 -99.200 -91.000 TYR 181 0.840 30.125 1.831 13.390 -99.200 -91.000 TRP 182 1.040 34.108 0.251 22.845 -99.200 -91.000 TRP6 182 1.020 35.994 -1.121 23.273 -99.200 -91.000 HIS 186 0.900 37.088 2.677 23.631 -99.200 -91.000 TRP 192 1.040 46.860 8.619 19.984 -99.200 -91.000 TRP6 192 1.020 45.182 8.830 21.637 -99.200 -91.000 TYR 202 0.840 53.523 7.752 7.484 -99.200 -91.000 PHE 203 1.000 51.727 3.440 13.859 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f7tA1 TRP 119 HA 0.01 -0.04 0.17 -0.75 4.62 4.00 2f7tA1 TRP 119 HB2 -0.00 -0.01 0.09 -0.04 3.23 3.26 2f7tA1 TRP 119 HB3 -0.01 -0.13 0.14 -0.04 3.23 3.19 2f7tA1 TRP 119 HD1 -0.02 -0.01 0.02 -0.04 7.22 7.17 2f7tA1 TRP 119 HE1 -0.04 0.01 0.00 -0.04 10.20 10.13 2f7tA1 TRP 119 HE3 -0.01 -0.00 -0.11 -0.04 7.59 7.43 2f7tA1 TRP 119 HZ2 -0.03 0.01 -0.01 -0.04 7.44 7.37 2f7tA1 TRP 119 HZ3 -0.01 0.00 -0.04 -0.04 7.13 7.04 2f7tA1 TRP 119 HH2 -0.01 0.01 -0.02 -0.04 7.19 7.13 2f7tA1 VAL 120 H 0.33 0.02 0.05 -0.55 8.24 8.09 2f7tA1 VAL 120 HA 0.20 0.04 0.22 -0.75 4.13 3.84 2f7tA1 VAL 120 HB 0.07 0.08 0.01 -0.04 2.12 2.24 2f7tA1 VAL 120 HG13 0.11 -0.01 0.04 -0.04 0.97 1.07 2f7tA1 VAL 120 HG23 0.08 -0.01 0.01 -0.04 0.95 0.98 2f7tA1 PRO 121 HA 0.01 0.04 0.13 -0.51 4.44 4.11 2f7tA1 PRO 121 HB2 0.02 0.07 0.03 -0.04 2.28 2.35 2f7tA1 PRO 121 HB3 -0.09 0.01 0.08 -0.04 2.02 1.97 2f7tA1 PRO 121 HG2 0.03 0.02 0.08 -0.04 2.03 2.13 2f7tA1 PRO 121 HG3 0.02 0.03 0.08 -0.04 2.03 2.12 2f7tA1 PRO 121 HD2 0.05 0.08 0.07 -0.04 3.68 3.84 2f7tA1 PRO 121 HD3 0.07 0.06 0.19 -0.04 3.65 3.93 2f7tA1 HIS 122 H 0.14 0.11 0.16 -0.55 8.41 8.27 2f7tA1 HIS 122 HA -0.01 0.01 0.38 -0.75 4.63 4.26 2f7tA1 HIS 122 HB2 -0.01 0.03 0.12 -0.04 3.26 3.37 2f7tA1 HIS 122 HB3 0.11 -0.02 0.06 -0.04 3.20 3.31 2f7tA1 HIS 122 HD2 -0.24 -0.09 -0.70 -0.04 6.97 5.90 2f7tA1 HIS 122 HE1 -0.41 -0.04 -0.01 -0.04 7.75 7.25 2f7tA1 GLU 123 H -0.45 0.09 0.15 -0.55 8.60 7.85 2f7tA1 GLU 123 HA 0.01 0.14 0.91 -0.75 4.29 4.60 2f7tA1 GLU 123 HB2 -0.05 0.07 0.10 -0.04 2.09 2.17 2f7tA1 GLU 123 HB3 -0.16 -0.07 0.19 -0.04 1.99 1.91 2f7tA1 GLU 123 HG2 -0.06 0.16 -0.16 -0.04 2.34 2.24 2f7tA1 GLU 123 HG3 -0.03 -0.00 0.04 -0.04 2.34 2.30 2f7tA1 LEU 124 H 0.00 0.18 0.15 -0.55 8.37 8.16 2f7tA1 LEU 124 HA 0.06 -0.01 0.51 -0.75 4.35 4.16 2f7tA1 LEU 124 HB2 -0.14 -0.01 0.14 -0.04 1.64 1.59 2f7tA1 LEU 124 HB3 -0.09 0.02 0.03 -0.04 1.64 1.56 2f7tA1 LEU 124 HG -0.24 0.03 -0.01 -0.04 1.64 1.37 2f7tA1 LEU 124 HD13 -0.87 0.03 0.03 -0.04 0.93 0.08 2f7tA1 LEU 124 HD23 -0.08 -0.00 -0.04 -0.04 0.89 0.72 2f7tA1 ASN 125 H 0.03 0.02 0.19 -0.55 8.53 8.21 2f7tA1 ASN 125 HA -0.01 0.33 0.99 -0.75 4.76 5.32 2f7tA1 ASN 125 HB2 0.01 -0.07 0.22 -0.04 2.88 2.99 2f7tA1 ASN 125 HB3 -0.00 0.16 0.07 -0.04 2.79 2.97 2f7tA1 ASN 125 HD21 0.08 0.00 0.03 -0.04 7.03 7.11 2f7tA1 ASN 125 HD22 0.04 0.11 0.05 -0.04 7.74 7.89 2f7tA1 GLU 126 H 0.00 0.18 0.17 -0.55 8.60 8.40 2f7tA1 GLU 126 HA -0.00 0.17 0.24 -0.75 4.29 3.94 2f7tA1 GLU 126 HB2 0.01 -0.06 0.15 -0.04 2.09 2.15 2f7tA1 GLU 126 HB3 0.00 0.07 -0.03 -0.04 1.99 1.99 2f7tA1 GLU 126 HG2 -0.00 -0.01 0.09 -0.04 2.34 2.38 2f7tA1 GLU 126 HG3 0.00 0.04 0.04 -0.04 2.34 2.38 2f7tA1 ARG 127 H 0.01 0.08 0.02 -0.55 8.46 8.03 2f7tA1 ARG 127 HA 0.01 0.11 0.54 -0.75 4.34 4.25 2f7tA1 ARG 127 HB2 0.02 0.01 0.13 -0.04 1.90 2.02 2f7tA1 ARG 127 HB3 0.04 -0.05 0.03 -0.04 1.80 1.77 2f7tA1 ARG 127 HG2 0.02 0.01 -0.09 -0.04 1.67 1.57 2f7tA1 ARG 127 HG3 0.02 0.03 0.05 -0.04 1.67 1.73 2f7tA1 ARG 127 HD2 0.03 -0.02 0.01 -0.04 3.22 3.21 2f7tA1 ARG 127 HD3 0.03 0.02 -0.01 -0.04 3.22 3.21 2f7tA1 GLN 128 H 0.03 0.02 -0.27 -0.55 8.47 7.71 2f7tA1 GLN 128 HA 0.04 0.02 0.49 -0.75 4.36 4.15 2f7tA1 GLN 128 HB2 0.03 -0.03 0.17 -0.04 2.15 2.28 2f7tA1 GLN 128 HB3 0.04 0.16 0.01 -0.04 2.02 2.20 2f7tA1 GLN 128 HG2 0.25 0.05 0.01 -0.04 2.40 2.66 2f7tA1 GLN 128 HG3 0.12 -0.09 0.02 -0.04 2.39 2.40 2f7tA1 GLN 128 HE21 0.15 0.07 0.01 -0.04 6.97 7.15 2f7tA1 GLN 128 HE22 0.32 -0.02 -0.01 -0.04 7.69 7.95 2f7tA1 MET 129 H -0.01 0.45 -0.08 -0.55 8.47 8.29 2f7tA1 MET 129 HA -0.03 0.21 0.52 -0.75 4.52 4.46 2f7tA1 MET 129 HB2 -0.01 -0.03 0.10 -0.04 2.15 2.17 2f7tA1 MET 129 HB3 -0.02 0.19 0.02 -0.04 2.03 2.18 2f7tA1 MET 129 HG2 -0.09 0.09 -0.12 -0.04 2.63 2.47 2f7tA1 MET 129 HG3 -0.04 0.06 -0.10 -0.04 2.56 2.44 2f7tA1 MET 129 HE3 -0.01 -0.01 -0.24 -0.04 2.10 1.80 2f7tA1 GLU 130 H -0.00 0.58 -0.04 -0.55 8.60 8.59 2f7tA1 GLU 130 HA 0.00 0.03 0.48 -0.75 4.29 4.04 2f7tA1 GLU 130 HB2 0.00 0.34 0.28 -0.04 2.09 2.67 2f7tA1 GLU 130 HB3 0.00 0.03 0.11 -0.04 1.99 2.10 2f7tA1 GLU 130 HG2 -0.00 -0.03 -0.04 -0.04 2.34 2.23 2f7tA1 GLU 130 HG3 0.00 0.00 0.05 -0.04 2.34 2.35 2f7tA1 ARG 131 H 0.00 0.56 -0.05 -0.55 8.46 8.41 2f7tA1 ARG 131 HA -0.01 0.03 0.57 -0.75 4.34 4.18 2f7tA1 ARG 131 HB2 -0.00 0.03 0.15 -0.04 1.90 2.03 2f7tA1 ARG 131 HB3 -0.00 0.09 0.18 -0.04 1.80 2.03 2f7tA1 ARG 131 HG2 -0.03 -0.04 -0.19 -0.04 1.67 1.37 2f7tA1 ARG 131 HG3 -0.02 0.01 0.04 -0.04 1.67 1.66 2f7tA1 ARG 131 HD2 -0.01 0.03 0.03 -0.04 3.22 3.22 2f7tA1 ARG 131 HD3 -0.03 -0.27 0.10 -0.04 3.22 2.97 2f7tA1 ARG 132 H -0.00 0.61 -0.04 -0.55 8.46 8.47 2f7tA1 ARG 132 HA 0.01 -0.08 0.43 -0.75 4.34 3.95 2f7tA1 ARG 132 HB2 0.01 0.16 0.23 -0.04 1.90 2.26 2f7tA1 ARG 132 HB3 0.06 -0.05 -0.04 -0.04 1.80 1.73 2f7tA1 ARG 132 HG2 0.01 -0.17 -0.03 -0.04 1.67 1.44 2f7tA1 ARG 132 HG3 -0.01 0.33 0.16 -0.04 1.67 2.12 2f7tA1 ARG 132 HD2 -0.13 -0.09 -0.06 -0.04 3.22 2.91 2f7tA1 ARG 132 HD3 -0.03 0.30 0.04 -0.04 3.22 3.50 2f7tA1 LYS 133 H 0.01 0.67 -0.11 -0.55 8.42 8.43 2f7tA1 LYS 133 HA 0.03 0.02 0.23 -0.75 4.32 3.84 2f7tA1 LYS 133 HB2 0.01 0.12 -0.18 -0.04 1.87 1.78 2f7tA1 LYS 133 HB3 0.00 0.03 0.09 -0.04 1.79 1.87 2f7tA1 LYS 133 HG2 0.01 -0.07 -0.10 -0.04 1.46 1.25 2f7tA1 LYS 133 HG3 0.02 0.02 0.10 -0.04 1.46 1.55 2f7tA1 LYS 133 HD2 0.01 0.05 -0.04 -0.04 1.69 1.66 2f7tA1 LYS 133 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.57 2f7tA1 LYS 133 HE2 0.01 -0.06 0.02 -0.04 2.99 2.92 2f7tA1 LYS 133 HE3 0.01 0.16 0.12 -0.04 2.99 3.24 2f7tA1 ASN 134 H -0.01 0.61 -0.15 -0.55 8.53 8.43 2f7tA1 ASN 134 HA -0.02 0.00 0.33 -0.75 4.76 4.32 2f7tA1 ASN 134 HB2 -0.02 0.12 0.19 -0.04 2.88 3.13 2f7tA1 ASN 134 HB3 -0.02 -0.07 -0.03 -0.04 2.79 2.63 2f7tA1 ASN 134 HD21 -0.00 -0.07 -0.01 -0.04 7.03 6.90 2f7tA1 ASN 134 HD22 -0.01 -0.04 -0.07 -0.04 7.74 7.58 2f7tA1 THR 135 H -0.03 0.69 -0.06 -0.55 8.28 8.33 2f7tA1 THR 135 HA -0.09 -0.01 0.57 -0.75 4.39 4.11 2f7tA1 THR 135 HB -0.04 0.09 0.13 -0.04 4.32 4.46 2f7tA1 THR 135 HG23 -0.07 -0.05 -0.17 -0.04 1.22 0.88 2f7tA1 CYS 136 H -0.04 0.77 -0.10 -0.55 8.50 8.58 2f7tA1 CYS 136 HA -0.39 -0.03 0.51 -0.75 4.58 3.91 2f7tA1 CYS 136 HB2 0.04 0.09 0.13 -0.04 2.97 3.19 2f7tA1 CYS 136 HB3 0.13 -0.03 0.18 -0.04 2.97 3.20 2f7tA1 GLU 137 H -0.04 0.59 -0.08 -0.55 8.60 8.52 2f7tA1 GLU 137 HA -0.01 0.01 0.48 -0.75 4.29 4.01 2f7tA1 GLU 137 HB2 -0.03 0.11 0.15 -0.04 2.09 2.28 2f7tA1 GLU 137 HB3 -0.01 -0.06 -0.03 -0.04 1.99 1.84 2f7tA1 GLU 137 HG2 0.01 -0.05 0.05 -0.04 2.34 2.30 2f7tA1 GLU 137 HG3 -0.00 0.17 0.09 -0.04 2.34 2.55 2f7tA1 ILE 138 H -0.10 0.51 -0.16 -0.55 8.25 7.95 2f7tA1 ILE 138 HA -0.06 -0.01 0.46 -0.75 4.18 3.82 2f7tA1 ILE 138 HB -0.12 0.16 0.27 -0.04 1.89 2.16 2f7tA1 ILE 138 HG12 -0.05 -0.06 0.05 -0.04 1.49 1.40 2f7tA1 ILE 138 HG13 -0.05 0.01 0.08 -0.04 1.21 1.21 2f7tA1 ILE 138 HG23 -0.10 -0.02 -0.08 -0.04 0.93 0.69 2f7tA1 ILE 138 HD13 -0.05 -0.01 -0.01 -0.04 0.88 0.76 2f7tA1 LEU 139 H -0.33 0.60 -0.02 -0.55 8.37 8.08 2f7tA1 LEU 139 HA -0.26 0.01 0.43 -0.75 4.35 3.77 2f7tA1 LEU 139 HB2 -1.38 0.07 0.16 -0.04 1.64 0.44 2f7tA1 LEU 139 HB3 -1.93 -0.06 0.02 -0.04 1.64 -0.37 2f7tA1 LEU 139 HG -0.41 0.11 0.11 -0.04 1.64 1.41 2f7tA1 LEU 139 HD13 -0.45 0.01 -0.02 -0.04 0.93 0.43 2f7tA1 LEU 139 HD23 -0.23 -0.01 0.02 -0.04 0.89 0.62 2f7tA1 LEU 140 H -0.20 0.64 -0.15 -0.55 8.37 8.11 2f7tA1 LEU 140 HA 0.37 -0.03 0.45 -0.75 4.35 4.39 2f7tA1 LEU 140 HB2 0.20 0.07 0.11 -0.04 1.64 1.98 2f7tA1 LEU 140 HB3 0.08 0.07 0.14 -0.04 1.64 1.90 2f7tA1 LEU 140 HG 0.19 -0.03 -0.07 -0.04 1.64 1.69 2f7tA1 LEU 140 HD13 0.29 -0.01 0.03 -0.04 0.93 1.20 2f7tA1 LEU 140 HD23 0.12 -0.01 -0.11 -0.04 0.89 0.84 2f7tA1 SER 141 H 0.02 0.62 -0.07 -0.55 8.46 8.49 2f7tA1 SER 141 HA 0.08 0.02 0.36 -0.75 4.49 4.20 2f7tA1 SER 141 HB2 0.03 -0.06 0.07 -0.04 3.95 3.95 2f7tA1 SER 141 HB3 0.03 0.01 0.12 -0.04 3.93 4.05 2f7tA1 ARG 142 H 0.04 0.58 -0.06 -0.55 8.46 8.47 2f7tA1 ARG 142 HA 0.07 -0.02 0.58 -0.75 4.34 4.22 2f7tA1 ARG 142 HB2 -0.02 0.01 0.14 -0.04 1.90 1.99 2f7tA1 ARG 142 HB3 0.14 0.12 0.17 -0.04 1.80 2.19 2f7tA1 ARG 142 HG2 0.24 0.05 -0.23 -0.04 1.67 1.69 2f7tA1 ARG 142 HG3 0.01 -0.05 0.05 -0.04 1.67 1.64 2f7tA1 ARG 142 HD2 -0.24 -0.02 -0.01 -0.04 3.22 2.90 2f7tA1 ARG 142 HD3 -0.68 -0.01 -0.02 -0.04 3.22 2.47 2f7tA1 TYR 143 H 0.41 0.67 -0.12 -0.55 8.29 8.69 2f7tA1 TYR 143 HA 0.22 0.02 0.24 -0.75 4.56 4.27 2f7tA1 TYR 143 HB2 0.20 -0.05 0.10 -0.04 3.06 3.27 2f7tA1 TYR 143 HB3 0.25 0.11 0.17 -0.04 2.98 3.47 2f7tA1 TYR 143 HD2 -0.07 -0.06 0.01 -0.04 7.15 6.99 2f7tA1 TYR 143 HE2 -0.04 -0.04 0.01 -0.04 6.85 6.74 2f7tA1 LYS 144 H 0.15 0.46 -0.27 -0.55 8.42 8.20 2f7tA1 LYS 144 HA -0.23 -0.00 0.54 -0.75 4.32 3.87 2f7tA1 LYS 144 HB2 0.07 0.13 0.16 -0.04 1.87 2.19 2f7tA1 LYS 144 HB3 0.01 -0.05 -0.03 -0.04 1.79 1.68 2f7tA1 LYS 144 HG2 0.04 -0.06 0.02 -0.04 1.46 1.43 2f7tA1 LYS 144 HG3 0.14 -0.05 -0.02 -0.04 1.46 1.49 2f7tA1 LYS 144 HD2 0.14 0.15 -0.10 -0.04 1.69 1.85 2f7tA1 LYS 144 HD3 0.07 -0.04 -0.03 -0.04 1.68 1.64 2f7tA1 LYS 144 HE2 0.11 -0.03 -0.03 -0.04 2.99 3.00 2f7tA1 LYS 144 HE3 0.20 -0.02 -0.04 -0.04 2.99 3.09 2f7tA1 ARG 145 H 0.03 0.50 -0.05 -0.55 8.46 8.40 2f7tA1 ARG 145 HA 0.00 -0.03 0.57 -0.75 4.34 4.13 2f7tA1 ARG 145 HB2 0.03 0.00 0.18 -0.04 1.90 2.07 2f7tA1 ARG 145 HB3 0.05 0.13 0.24 -0.04 1.80 2.17 2f7tA1 ARG 145 HG2 0.03 0.00 -0.08 -0.04 1.67 1.58 2f7tA1 ARG 145 HG3 0.02 -0.06 0.06 -0.04 1.67 1.64 2f7tA1 ARG 145 HD2 0.02 0.00 0.01 -0.04 3.22 3.21 2f7tA1 ARG 145 HD3 0.01 -0.06 0.01 -0.04 3.22 3.14 2f7tA1 LYS 146 H 0.06 0.65 -0.14 -0.55 8.42 8.44 2f7tA1 LYS 146 HA -0.00 0.03 0.66 -0.75 4.32 4.26 2f7tA1 LYS 146 HB2 0.05 -0.01 -0.36 -0.04 1.87 1.51 2f7tA1 LYS 146 HB3 0.11 -0.04 0.02 -0.04 1.79 1.84 2f7tA1 LYS 146 HG2 0.11 0.09 -0.09 -0.04 1.46 1.53 2f7tA1 LYS 146 HG3 0.06 -0.02 0.04 -0.04 1.46 1.50 2f7tA1 LYS 146 HD2 0.07 -0.04 -0.04 -0.04 1.69 1.64 2f7tA1 LYS 146 HD3 0.12 -0.01 -0.08 -0.04 1.68 1.67 2f7tA1 LYS 146 HE2 0.13 0.02 -0.01 -0.04 2.99 3.08 2f7tA1 LYS 146 HE3 0.08 -0.03 -0.01 -0.04 2.99 2.99 2f7tA1 SER 147 H -0.06 0.09 0.13 -0.55 8.46 8.07 2f7tA1 SER 147 HA 0.04 0.06 0.55 -0.75 4.49 4.38 2f7tA1 SER 147 HB2 -0.16 0.12 0.18 -0.04 3.95 4.05 2f7tA1 SER 147 HB3 0.07 -0.01 0.16 -0.04 3.93 4.12 2f7tA1 PHE 148 H -0.29 0.12 0.25 -0.55 8.34 7.87 2f7tA1 PHE 148 HA -0.01 0.23 0.83 -0.75 4.62 4.91 2f7tA1 PHE 148 HB2 -0.03 -0.03 0.14 -0.04 3.15 3.19 2f7tA1 PHE 148 HB3 0.04 0.14 -0.01 -0.04 3.06 3.19 2f7tA1 PHE 148 HD2 0.07 0.11 -0.13 -0.04 7.28 7.29 2f7tA1 PHE 148 HE2 0.16 0.03 -0.05 -0.04 7.38 7.48 2f7tA1 PHE 148 HZ -0.14 -0.02 0.01 -0.04 7.32 7.12 2f7tA1 LEU 149 H -0.07 0.11 0.03 -0.55 8.37 7.89 2f7tA1 LEU 149 HA -0.27 0.11 0.24 -0.75 4.35 3.67 2f7tA1 LEU 149 HB2 -0.22 -0.03 0.15 -0.04 1.64 1.49 2f7tA1 LEU 149 HB3 -0.81 0.04 -0.05 -0.04 1.64 0.78 2f7tA1 LEU 149 HG -0.69 0.12 0.03 -0.04 1.64 1.05 2f7tA1 LEU 149 HD13 -0.63 -0.02 0.04 -0.04 0.93 0.28 2f7tA1 LEU 149 HD23 -0.56 0.00 0.06 -0.04 0.89 0.35 2f7tA1 HIS 150 H 0.28 0.10 -0.22 -0.55 8.41 8.03 2f7tA1 HIS 150 HA 0.02 0.07 0.54 -0.75 4.63 4.50 2f7tA1 HIS 150 HB2 0.02 0.02 0.10 -0.04 3.26 3.37 2f7tA1 HIS 150 HB3 0.13 -0.02 0.06 -0.04 3.20 3.32 2f7tA1 HIS 150 HD2 -0.22 -0.01 -0.13 -0.04 6.97 6.57 2f7tA1 HIS 150 HE1 0.07 0.33 -0.03 -0.04 7.75 8.08 2f7tA1 ARG 151 H -0.29 0.48 -0.35 -0.55 8.46 7.74 2f7tA1 ARG 151 HA 0.02 0.16 0.88 -0.75 4.34 4.65 2f7tA1 ARG 151 HB2 -0.05 0.06 0.08 -0.04 1.90 1.94 2f7tA1 ARG 151 HB3 0.02 0.12 0.20 -0.04 1.80 2.10 2f7tA1 ARG 151 HG2 -0.39 -0.02 -0.26 -0.04 1.67 0.97 2f7tA1 ARG 151 HG3 -0.60 -0.05 -0.08 -0.04 1.67 0.90 2f7tA1 ARG 151 HD2 0.11 0.17 0.02 -0.04 3.22 3.48 2f7tA1 ARG 151 HD3 -0.00 -0.04 -0.03 -0.04 3.22 3.11 2f7tA1 ILE 152 H -0.09 0.33 -0.15 -0.55 8.25 7.79 2f7tA1 ILE 152 HA -0.07 0.31 0.75 -0.75 4.18 4.42 2f7tA1 ILE 152 HB -0.19 0.04 0.22 -0.04 1.89 1.92 2f7tA1 ILE 152 HG12 0.13 0.03 -0.04 -0.04 1.49 1.57 2f7tA1 ILE 152 HG13 0.06 0.01 0.04 -0.04 1.21 1.28 2f7tA1 ILE 152 HG23 -0.21 -0.02 -0.18 -0.04 0.93 0.48 2f7tA1 ILE 152 HD13 0.07 -0.02 0.00 -0.04 0.88 0.89 2f7tA1 VAL 153 H -0.15 0.75 0.45 -0.55 8.24 8.74 2f7tA1 VAL 153 HA -0.20 0.18 0.75 -0.75 4.13 4.11 2f7tA1 VAL 153 HB -0.21 -0.03 0.07 -0.04 2.12 1.91 2f7tA1 VAL 153 HG13 -0.04 -0.03 -0.14 -0.04 0.97 0.73 2f7tA1 VAL 153 HG23 -0.34 0.02 -0.14 -0.04 0.95 0.45 2f7tA1 THR 154 H -0.37 0.76 0.42 -0.55 8.28 8.54 2f7tA1 THR 154 HA -0.35 0.26 1.05 -0.75 4.39 4.60 2f7tA1 THR 154 HB -0.44 0.01 -0.18 -0.04 4.32 3.67 2f7tA1 THR 154 HG23 -1.16 -0.00 -0.11 -0.04 1.22 -0.10 2f7tA1 GLY 155 H -0.17 0.51 0.44 -0.55 8.43 8.66 2f7tA1 GLY 155 HA2 -0.08 0.16 0.86 -0.51 4.01 4.44 2f7tA1 GLY 155 HA3 -0.29 0.02 0.46 -0.51 4.01 3.69 2f7tA1 ASP 156 H -0.22 0.57 0.41 -0.55 8.40 8.61 2f7tA1 ASP 156 HA 0.08 0.02 0.48 -0.75 4.63 4.46 2f7tA1 ASP 156 HB2 0.01 -0.02 -0.20 -0.04 2.71 2.46 2f7tA1 ASP 156 HB3 0.23 0.05 -0.15 -0.04 2.70 2.79 2f7tA1 GLU 157 H 0.06 0.13 0.22 -0.55 8.60 8.46 2f7tA1 GLU 157 HA -0.08 0.41 0.99 -0.75 4.29 4.86 2f7tA1 GLU 157 HB2 -0.13 -0.06 0.10 -0.04 2.09 1.96 2f7tA1 GLU 157 HB3 -0.29 0.02 -0.06 -0.04 1.99 1.63 2f7tA1 GLU 157 HG2 -0.09 -0.04 -0.05 -0.04 2.34 2.12 2f7tA1 GLU 157 HG3 -0.04 0.06 -0.07 -0.04 2.34 2.25 2f7tA1 LYS 158 H -0.27 0.65 0.32 -0.55 8.42 8.56 2f7tA1 LYS 158 HA -0.35 0.05 0.60 -0.75 4.32 3.87 2f7tA1 LYS 158 HB2 -1.17 0.05 -0.02 -0.04 1.87 0.69 2f7tA1 LYS 158 HB3 -1.02 -0.03 -0.01 -0.04 1.79 0.69 2f7tA1 LYS 158 HG2 -0.33 0.09 -0.37 -0.04 1.46 0.81 2f7tA1 LYS 158 HG3 -0.36 0.02 0.03 -0.04 1.46 1.11 2f7tA1 LYS 158 HD2 -1.36 -0.04 -0.04 -0.04 1.69 0.20 2f7tA1 LYS 158 HD3 -0.58 -0.05 -0.09 -0.04 1.68 0.91 2f7tA1 LYS 158 HE2 -0.25 0.00 -0.03 -0.04 2.99 2.67 2f7tA1 LYS 158 HE3 -0.23 0.02 -0.06 -0.04 2.99 2.68 2f7tA1 TRP 159 H -0.15 0.13 0.13 -0.55 7.97 7.53 2f7tA1 TRP 159 HA -0.25 0.15 0.73 -0.75 4.62 4.50 2f7tA1 TRP 159 HB2 -0.16 -0.01 0.12 -0.04 3.23 3.14 2f7tA1 TRP 159 HB3 -0.77 0.05 -0.12 -0.04 3.23 2.35 2f7tA1 TRP 159 HD1 -0.03 0.02 0.02 -0.04 7.22 7.18 2f7tA1 TRP 159 HE1 -0.03 -0.01 -0.03 -0.04 10.20 10.09 2f7tA1 TRP 159 HE3 -0.28 0.11 -0.41 -0.04 7.59 6.97 2f7tA1 TRP 159 HZ2 -0.02 -0.03 -0.06 -0.04 7.44 7.28 2f7tA1 TRP 159 HZ3 -0.07 -0.01 -0.35 -0.04 7.13 6.66 2f7tA1 TRP 159 HH2 -0.02 0.23 -0.20 -0.04 7.19 7.16 2f7tA1 ILE 160 H -0.00 0.80 0.44 -0.55 8.25 8.94 2f7tA1 ILE 160 HA -0.02 0.20 0.87 -0.75 4.18 4.47 2f7tA1 ILE 160 HB -0.08 -0.09 0.08 -0.04 1.89 1.76 2f7tA1 ILE 160 HG12 -0.14 0.07 -0.08 -0.04 1.49 1.30 2f7tA1 ILE 160 HG13 -0.14 -0.01 -0.46 -0.04 1.21 0.56 2f7tA1 ILE 160 HG23 -0.05 0.02 -0.08 -0.04 0.93 0.78 2f7tA1 ILE 160 HD13 -0.15 -0.02 -0.07 -0.04 0.88 0.60 2f7tA1 PHE 161 H 0.25 0.22 0.14 -0.55 8.34 8.39 2f7tA1 PHE 161 HA -0.03 0.21 0.94 -0.75 4.62 4.98 2f7tA1 PHE 161 HB2 -0.03 -0.01 0.12 -0.04 3.15 3.18 2f7tA1 PHE 161 HB3 -0.08 0.13 0.02 -0.04 3.06 3.09 2f7tA1 PHE 161 HD2 -0.11 0.11 -0.04 -0.04 7.28 7.20 2f7tA1 PHE 161 HE2 -0.17 0.01 -0.08 -0.04 7.38 7.10 2f7tA1 PHE 161 HZ -0.27 -0.03 -0.06 -0.04 7.32 6.92 2f7tA1 PHE 162 H -0.17 0.53 0.18 -0.55 8.34 8.32 2f7tA1 PHE 162 HA 0.13 0.13 0.67 -0.75 4.62 4.80 2f7tA1 PHE 162 HB2 0.13 0.16 -0.42 -0.04 3.15 2.97 2f7tA1 PHE 162 HB3 0.11 -0.09 -0.31 -0.04 3.06 2.73 2f7tA1 PHE 162 HD2 0.04 0.13 -0.55 -0.04 7.28 6.86 2f7tA1 PHE 162 HE2 0.09 0.03 -0.18 -0.04 7.38 7.29 2f7tA1 PHE 162 HZ 0.09 0.02 -0.05 -0.04 7.32 7.34 2f7tA1 VAL 163 H 0.22 0.42 0.15 -0.55 8.24 8.48 2f7tA1 VAL 163 HA 0.00 0.16 0.99 -0.75 4.13 4.53 2f7tA1 VAL 163 HB 0.05 0.01 -0.02 -0.04 2.12 2.12 2f7tA1 VAL 163 HG13 -0.01 0.00 -0.06 -0.04 0.97 0.86 2f7tA1 VAL 163 HG23 0.05 0.00 0.02 -0.04 0.95 0.98 2f7tA1 ASN 164 H 0.07 0.14 0.91 -0.55 8.53 9.10 2f7tA1 ASN 164 HA 0.22 0.30 0.84 -0.75 4.76 5.37 2f7tA1 ASN 164 HB2 0.16 0.01 0.03 -0.04 2.88 3.04 2f7tA1 ASN 164 HB3 0.40 -0.07 -0.07 -0.04 2.79 3.01 2f7tA1 ASN 164 HD21 0.05 -0.00 -0.07 -0.04 7.03 6.97 2f7tA1 ASN 164 HD22 0.14 -0.05 -0.06 -0.04 7.74 7.73 2f7tA1 PRO 165 HA 0.05 0.08 0.10 -0.51 4.44 4.15 2f7tA1 PRO 165 HB2 0.04 0.03 0.06 -0.04 2.28 2.37 2f7tA1 PRO 165 HB3 0.04 0.02 0.10 -0.04 2.02 2.13 2f7tA1 PRO 165 HG2 0.06 0.00 0.05 -0.04 2.03 2.09 2f7tA1 PRO 165 HG3 0.05 0.01 0.10 -0.04 2.03 2.15 2f7tA1 PRO 165 HD2 0.12 0.04 0.24 -0.04 3.68 4.04 2f7tA1 PRO 165 HD3 0.08 0.20 0.28 -0.04 3.65 4.17 2f7tA1 LYS 189 HA -0.26 -0.10 0.26 -0.75 4.32 3.46 2f7tA1 LYS 189 HB2 -1.13 0.19 0.09 -0.04 1.87 0.97 2f7tA1 LYS 189 HB3 -0.94 -0.12 0.01 -0.04 1.79 0.70 2f7tA1 LYS 189 HG2 -0.17 0.03 0.13 -0.04 1.46 1.40 2f7tA1 LYS 189 HG3 -0.13 -0.04 -0.04 -0.04 1.46 1.21 2f7tA1 LYS 189 HD2 -0.13 -0.03 0.06 -0.04 1.69 1.55 2f7tA1 LYS 189 HD3 -0.06 0.03 0.04 -0.04 1.68 1.64 2f7tA1 LYS 189 HE2 0.11 -0.06 0.01 -0.04 2.99 3.01 2f7tA1 LYS 189 HE3 0.04 0.02 0.00 -0.04 2.99 3.01 2f7tA1 LYS 190 H -0.24 0.15 0.20 -0.55 8.42 7.99 2f7tA1 LYS 190 HA -0.26 0.25 0.93 -0.75 4.32 4.49 2f7tA1 LYS 190 HB2 -0.67 0.00 -0.06 -0.04 1.87 1.10 2f7tA1 LYS 190 HB3 -0.80 0.11 -0.18 -0.04 1.79 0.87 2f7tA1 LYS 190 HG2 -0.44 -0.05 0.03 -0.04 1.46 0.95 2f7tA1 LYS 190 HG3 -0.92 -0.06 -0.08 -0.04 1.46 0.37 2f7tA1 LYS 190 HD2 -1.49 0.00 -0.09 -0.04 1.69 0.07 2f7tA1 LYS 190 HD3 -0.46 0.05 -0.08 -0.04 1.68 1.15 2f7tA1 LYS 190 HE2 -0.65 0.01 -0.02 -0.04 2.99 2.29 2f7tA1 LYS 190 HE3 -2.01 -0.00 -0.04 -0.04 2.99 0.89 2f7tA1 THR 191 H 0.11 0.73 0.36 -0.55 8.28 8.93 2f7tA1 THR 191 HA 0.31 0.16 0.68 -0.75 4.39 4.79 2f7tA1 THR 191 HB 0.15 0.10 -0.05 -0.04 4.32 4.48 2f7tA1 THR 191 HG23 0.44 -0.03 -0.07 -0.04 1.22 1.52 2f7tA1 MET 192 H 0.07 0.26 0.07 -0.55 8.47 8.32 2f7tA1 MET 192 HA -0.39 0.19 0.90 -0.75 4.52 4.46 2f7tA1 MET 192 HB2 -1.11 0.08 -0.04 -0.04 2.15 1.04 2f7tA1 MET 192 HB3 -0.25 -0.04 0.09 -0.04 2.03 1.79 2f7tA1 MET 192 HG2 -0.27 -0.04 -0.29 -0.04 2.63 1.99 2f7tA1 MET 192 HG3 -0.59 0.04 -0.19 -0.04 2.56 1.79 2f7tA1 MET 192 HE3 -1.58 0.01 -0.13 -0.04 2.10 0.36 2f7tA1 LEU 193 H -0.18 0.75 0.33 -0.55 8.37 8.72 2f7tA1 LEU 193 HA 0.01 0.16 0.93 -0.75 4.35 4.70 2f7tA1 LEU 193 HB2 -0.08 -0.02 0.08 -0.04 1.64 1.58 2f7tA1 LEU 193 HB3 -0.16 0.10 0.23 -0.04 1.64 1.77 2f7tA1 LEU 193 HG 0.07 -0.02 -0.44 -0.04 1.64 1.20 2f7tA1 LEU 193 HD13 0.05 0.02 -0.10 -0.04 0.93 0.85 2f7tA1 LEU 193 HD23 0.05 -0.00 -0.10 -0.04 0.89 0.80 2f7tA1 CYS 194 H 0.06 0.76 0.36 -0.55 8.50 9.13 2f7tA1 CYS 194 HA -0.20 0.15 0.87 -0.75 4.58 4.65 2f7tA1 CYS 194 HB2 0.13 -0.04 0.19 -0.04 2.97 3.21 2f7tA1 CYS 194 HB3 -0.07 -0.00 -0.03 -0.04 2.97 2.82 2f7tA1 VAL 195 H -0.53 0.51 0.31 -0.55 8.24 7.97 2f7tA1 VAL 195 HA -0.00 0.21 1.15 -0.75 4.13 4.73 2f7tA1 VAL 195 HB 0.09 -0.04 -0.26 -0.04 2.12 1.88 2f7tA1 VAL 195 HG13 0.16 0.02 -0.05 -0.04 0.97 1.06 2f7tA1 VAL 195 HG23 -0.11 0.01 -0.08 -0.04 0.95 0.73 2f7tA1 TRP 196 H 0.43 0.61 0.45 -0.55 7.97 8.91 2f7tA1 TRP 196 HA 0.25 0.29 1.12 -0.75 4.62 5.53 2f7tA1 TRP 196 HB2 0.21 -0.04 0.09 -0.04 3.23 3.45 2f7tA1 TRP 196 HB3 0.15 0.05 -0.00 -0.04 3.23 3.38 2f7tA1 TRP 196 HD1 0.33 0.04 -0.25 -0.04 7.22 7.30 2f7tA1 TRP 196 HE1 0.45 -0.02 -0.17 -0.04 10.20 10.42 2f7tA1 TRP 196 HE3 0.29 0.25 -0.20 -0.04 7.59 7.90 2f7tA1 TRP 196 HZ2 0.36 -0.03 -0.18 -0.04 7.44 7.54 2f7tA1 TRP 196 HZ3 0.11 -0.02 -0.28 -0.04 7.13 6.90 2f7tA1 TRP 196 HH2 0.23 -0.05 -0.17 -0.04 7.19 7.17 2f7tA1 TRP 197 H 0.05 0.75 0.49 -0.55 7.97 8.70 2f7tA1 TRP 197 HA 0.01 0.09 0.94 -0.75 4.62 4.91 2f7tA1 TRP 197 HB2 -0.09 0.13 -0.11 -0.04 3.23 3.12 2f7tA1 TRP 197 HB3 -0.07 -0.05 -0.28 -0.04 3.23 2.79 2f7tA1 TRP 197 HD1 -0.07 -0.05 -0.23 -0.04 7.22 6.83 2f7tA1 TRP 197 HE1 -0.22 -0.12 -0.19 -0.04 10.20 9.64 2f7tA1 TRP 197 HE3 0.15 0.30 -0.14 -0.04 7.59 7.85 2f7tA1 TRP 197 HZ2 -0.21 -0.10 -0.80 -0.04 7.44 6.29 2f7tA1 TRP 197 HZ3 0.01 0.22 -0.04 -0.04 7.13 7.27 2f7tA1 TRP 197 HH2 -0.21 -0.02 -0.20 -0.04 7.19 6.72 2f7tA1 ASP 198 H 0.18 0.46 0.30 -0.55 8.40 8.79 2f7tA1 ASP 198 HA -0.26 0.23 0.69 -0.75 4.63 4.53 2f7tA1 ASP 198 HB2 -0.04 0.18 0.28 -0.04 2.71 3.10 2f7tA1 ASP 198 HB3 -0.05 0.01 0.05 -0.04 2.70 2.67 2f7tA1 GLN 199 H 0.04 0.29 0.17 -0.55 8.47 8.43 2f7tA1 GLN 199 HA 0.28 0.17 0.07 -0.75 4.36 4.12 2f7tA1 GLN 199 HB2 0.27 -0.05 0.11 -0.04 2.15 2.45 2f7tA1 GLN 199 HB3 0.03 0.05 0.11 -0.04 2.02 2.17 2f7tA1 GLN 199 HG2 0.12 0.08 0.12 -0.04 2.40 2.68 2f7tA1 GLN 199 HG3 0.22 0.02 -0.15 -0.04 2.39 2.44 2f7tA1 GLN 199 HE21 0.35 -0.02 -0.01 -0.04 6.97 7.25 2f7tA1 GLN 199 HE22 0.26 0.01 -0.05 -0.04 7.69 7.87 2f7tA1 SER 200 H 0.13 0.01 -0.45 -0.55 8.46 7.61 2f7tA1 SER 200 HA 0.18 0.19 0.91 -0.75 4.49 5.02 2f7tA1 SER 200 HB2 0.06 0.04 -0.00 -0.04 3.95 4.01 2f7tA1 SER 200 HB3 0.07 0.03 0.11 -0.04 3.93 4.10 2f7tA1 GLY 201 H 0.03 0.25 -0.09 -0.55 8.43 8.07 2f7tA1 GLY 201 HA2 -1.69 0.00 0.26 -0.51 4.01 2.07 2f7tA1 GLY 201 HA3 -0.41 0.26 0.79 -0.51 4.01 4.14 2f7tA1 VAL 202 H -0.49 0.19 0.12 -0.55 8.24 7.50 2f7tA1 VAL 202 HA 0.01 0.02 0.57 -0.75 4.13 3.98 2f7tA1 VAL 202 HB -0.28 0.05 0.09 -0.04 2.12 1.94 2f7tA1 VAL 202 HG13 -0.20 0.01 -0.22 -0.04 0.97 0.51 2f7tA1 VAL 202 HG23 -0.90 -0.01 -0.02 -0.04 0.95 -0.02 2f7tA1 ILE 203 H 0.19 0.57 0.49 -0.55 8.25 8.96 2f7tA1 ILE 203 HA 0.09 0.18 0.68 -0.75 4.18 4.38 2f7tA1 ILE 203 HB 0.21 -0.02 0.02 -0.04 1.89 2.06 2f7tA1 ILE 203 HG12 0.07 0.05 -0.12 -0.04 1.49 1.45 2f7tA1 ILE 203 HG13 0.10 0.03 -0.06 -0.04 1.21 1.24 2f7tA1 ILE 203 HG23 0.06 0.00 -0.20 -0.04 0.93 0.75 2f7tA1 ILE 203 HD13 0.04 -0.02 -0.16 -0.04 0.88 0.70 2f7tA1 TYR 204 H 0.36 0.31 0.29 -0.55 8.29 8.70 2f7tA1 TYR 204 HA 0.14 0.15 0.72 -0.75 4.56 4.81 2f7tA1 TYR 204 HB2 0.06 0.12 -0.25 -0.04 3.06 2.95 2f7tA1 TYR 204 HB3 0.20 -0.08 -0.04 -0.04 2.98 3.02 2f7tA1 TYR 204 HD2 -0.08 0.01 -0.07 -0.04 7.15 6.96 2f7tA1 TYR 204 HE2 -0.01 -0.04 -0.07 -0.04 6.85 6.69 2f7tA1 TYR 205 H -0.43 0.29 0.20 -0.55 8.29 7.79 2f7tA1 TYR 205 HA 0.13 0.17 0.53 -0.75 4.56 4.64 2f7tA1 TYR 205 HB2 0.02 0.11 0.17 -0.04 3.06 3.32 2f7tA1 TYR 205 HB3 -0.02 -0.04 -0.04 -0.04 2.98 2.83 2f7tA1 TYR 205 HD2 0.02 0.01 -0.32 -0.04 7.15 6.81 2f7tA1 TYR 205 HE2 0.12 -0.01 -0.15 -0.04 6.85 6.78 2f7tA1 GLU 206 H 0.20 0.69 0.38 -0.55 8.60 9.33 2f7tA1 GLU 206 HA -0.11 0.14 0.85 -0.75 4.29 4.42 2f7tA1 GLU 206 HB2 0.24 -0.04 0.03 -0.04 2.09 2.28 2f7tA1 GLU 206 HB3 0.14 0.00 -0.10 -0.04 1.99 1.99 2f7tA1 GLU 206 HG2 0.00 0.07 -0.03 -0.04 2.34 2.34 2f7tA1 GLU 206 HG3 -0.12 -0.01 -0.39 -0.04 2.34 1.78 2f7tA1 LEU 207 H 0.11 0.20 0.09 -0.55 8.37 8.22 2f7tA1 LEU 207 HA 0.10 0.24 0.87 -0.75 4.35 4.81 2f7tA1 LEU 207 HB2 0.11 -0.01 0.00 -0.04 1.64 1.70 2f7tA1 LEU 207 HB3 -0.07 -0.03 0.10 -0.04 1.64 1.61 2f7tA1 LEU 207 HG -0.12 0.08 -0.19 -0.04 1.64 1.37 2f7tA1 LEU 207 HD13 -0.05 0.02 -0.24 -0.04 0.93 0.62 2f7tA1 LEU 207 HD23 -0.59 -0.02 -0.08 -0.04 0.89 0.17 2f7tA1 LEU 208 H 0.10 0.72 0.14 -0.55 8.37 8.77 2f7tA1 LEU 208 HA 0.17 0.06 0.56 -0.75 4.35 4.39 2f7tA1 LEU 208 HB2 0.06 -0.04 0.09 -0.04 1.64 1.71 2f7tA1 LEU 208 HB3 0.12 0.11 -0.11 -0.04 1.64 1.71 2f7tA1 LEU 208 HG 0.10 -0.02 -0.11 -0.04 1.64 1.57 2f7tA1 LEU 208 HD13 0.13 0.03 -0.22 -0.04 0.93 0.83 2f7tA1 LEU 208 HD23 0.02 0.00 -0.29 -0.04 0.89 0.59 2f7tA1 LYS 209 H 0.11 0.06 0.15 -0.55 8.42 8.19 2f7tA1 LYS 209 HA 0.08 0.06 0.41 -0.75 4.32 4.11 2f7tA1 LYS 209 HB2 0.04 -0.05 0.12 -0.04 1.87 1.94 2f7tA1 LYS 209 HB3 -0.01 0.07 0.08 -0.04 1.79 1.89 2f7tA1 LYS 209 HG2 -0.05 -0.03 0.11 -0.04 1.46 1.46 2f7tA1 LYS 209 HG3 -0.08 0.01 0.06 -0.04 1.46 1.42 2f7tA1 LYS 209 HD2 -0.40 0.00 0.05 -0.04 1.69 1.30 2f7tA1 LYS 209 HD3 -0.77 0.01 -0.01 -0.04 1.68 0.88 2f7tA1 LYS 209 HE2 -0.15 0.00 0.02 -0.04 2.99 2.82 2f7tA1 LYS 209 HE3 -0.27 -0.00 0.01 -0.04 2.99 2.69 2f7tA1 PRO 210 HA 0.21 0.36 0.58 -0.51 4.44 5.08 2f7tA1 PRO 210 HB2 0.11 0.01 0.11 -0.04 2.28 2.48 2f7tA1 PRO 210 HB3 0.09 0.02 0.11 -0.04 2.02 2.21 2f7tA1 PRO 210 HG2 0.28 0.02 0.09 -0.04 2.03 2.38 2f7tA1 PRO 210 HG3 0.63 0.01 0.04 -0.04 2.03 2.67 2f7tA1 PRO 210 HD2 0.07 0.05 0.24 -0.04 3.68 4.00 2f7tA1 PRO 210 HD3 0.46 0.14 0.18 -0.04 3.65 4.39 2f7tA1 GLY 211 H 0.15 0.61 0.33 -0.55 8.43 8.97 2f7tA1 GLY 211 HA2 0.02 -0.01 0.41 -0.51 4.01 3.91 2f7tA1 GLY 211 HA3 0.05 0.04 0.40 -0.51 4.01 3.99 2f7tA1 GLU 212 H 0.16 0.51 -0.58 -0.55 8.60 8.13 2f7tA1 GLU 212 HA 0.13 0.00 0.40 -0.75 4.29 4.06 2f7tA1 GLU 212 HB2 0.09 -0.07 0.11 -0.04 2.09 2.18 2f7tA1 GLU 212 HB3 0.10 0.18 0.07 -0.04 1.99 2.29 2f7tA1 GLU 212 HG2 0.11 -0.04 -0.21 -0.04 2.34 2.16 2f7tA1 GLU 212 HG3 0.09 -0.03 -0.09 -0.04 2.34 2.26 2f7tA1 THR 213 H 0.10 0.12 0.17 -0.55 8.28 8.12 2f7tA1 THR 213 HA 0.01 0.19 0.78 -0.75 4.39 4.61 2f7tA1 THR 213 HB 0.15 0.08 -0.10 -0.04 4.32 4.40 2f7tA1 THR 213 HG23 0.07 -0.01 -0.27 -0.04 1.22 0.97 2f7tA1 VAL 214 H -0.03 0.19 0.08 -0.55 8.24 7.93 2f7tA1 VAL 214 HA 0.10 0.12 0.85 -0.75 4.13 4.45 2f7tA1 VAL 214 HB 0.02 -0.03 0.13 -0.04 2.12 2.20 2f7tA1 VAL 214 HG13 0.25 -0.00 -0.20 -0.04 0.97 0.98 2f7tA1 VAL 214 HG23 0.06 0.02 -0.09 -0.04 0.95 0.90 2f7tA1 ASN 215 H 0.09 0.15 0.16 -0.55 8.53 8.39 2f7tA1 ASN 215 HA 0.05 0.24 0.86 -0.75 4.76 5.16 2f7tA1 ASN 215 HB2 0.06 -0.10 0.17 -0.04 2.88 2.97 2f7tA1 ASN 215 HB3 0.06 0.14 0.04 -0.04 2.79 2.98 2f7tA1 ASN 215 HD21 0.06 0.06 0.03 -0.04 7.03 7.14 2f7tA1 ASN 215 HD22 0.06 0.09 0.01 -0.04 7.74 7.85 2f7tA1 ALA 216 H 0.07 0.21 0.16 -0.55 8.40 8.29 2f7tA1 ALA 216 HA 0.14 0.22 0.37 -0.75 4.34 4.32 2f7tA1 ALA 216 HB3 0.07 0.01 0.16 -0.04 1.41 1.60 2f7tA1 ALA 217 H 0.07 0.06 -0.19 -0.55 8.40 7.80 2f7tA1 ALA 217 HA 0.05 0.11 0.29 -0.75 4.34 4.03 2f7tA1 ALA 217 HB3 0.04 0.03 0.01 -0.04 1.41 1.45 2f7tA1 ARG 218 H 0.10 0.03 -0.07 -0.55 8.46 7.97 2f7tA1 ARG 218 HA 0.09 0.13 0.68 -0.75 4.34 4.49 2f7tA1 ARG 218 HB2 0.10 0.02 0.15 -0.04 1.90 2.13 2f7tA1 ARG 218 HB3 0.14 -0.06 0.17 -0.04 1.80 2.02 2f7tA1 ARG 218 HG2 0.19 -0.01 -0.25 -0.04 1.67 1.56 2f7tA1 ARG 218 HG3 0.12 0.03 0.02 -0.04 1.67 1.80 2f7tA1 ARG 218 HD2 0.15 -0.05 -0.12 -0.04 3.22 3.16 2f7tA1 ARG 218 HD3 0.14 0.02 -0.10 -0.04 3.22 3.23 2f7tA1 TYR 219 H 0.27 0.54 -0.14 -0.55 8.29 8.41 2f7tA1 TYR 219 HA 0.19 0.02 0.26 -0.75 4.56 4.28 2f7tA1 TYR 219 HB2 0.19 -0.04 -0.13 -0.04 3.06 3.04 2f7tA1 TYR 219 HB3 0.13 0.13 -0.07 -0.04 2.98 3.13 2f7tA1 TYR 219 HD2 0.26 0.02 -0.14 -0.04 7.15 7.25 2f7tA1 TYR 219 HE2 0.46 0.07 -0.10 -0.04 6.85 7.23 2f7tA1 GLN 220 H 0.13 0.39 -0.20 -0.55 8.47 8.24 2f7tA1 GLN 220 HA -0.13 0.06 0.44 -0.75 4.36 3.98 2f7tA1 GLN 220 HB2 0.01 -0.05 -0.03 -0.04 2.15 2.04 2f7tA1 GLN 220 HB3 0.02 0.06 0.13 -0.04 2.02 2.19 2f7tA1 GLN 220 HG2 -0.06 0.03 -0.26 -0.04 2.40 2.06 2f7tA1 GLN 220 HG3 -0.10 0.01 -0.05 -0.04 2.39 2.20 2f7tA1 GLN 220 HE21 -0.04 -0.05 -0.01 -0.04 6.97 6.84 2f7tA1 GLN 220 HE22 -0.08 0.04 -0.01 -0.04 7.69 7.59 2f7tA1 GLN 221 H -0.00 0.40 -0.20 -0.55 8.47 8.12 2f7tA1 GLN 221 HA -0.09 0.04 0.50 -0.75 4.36 4.06 2f7tA1 GLN 221 HB2 0.00 0.10 0.19 -0.04 2.15 2.40 2f7tA1 GLN 221 HB3 0.03 0.08 0.14 -0.04 2.02 2.22 2f7tA1 GLN 221 HG2 0.01 -0.02 0.02 -0.04 2.40 2.37 2f7tA1 GLN 221 HG3 -0.00 -0.01 -0.02 -0.04 2.39 2.32 2f7tA1 GLN 221 HE21 -0.07 0.03 0.00 -0.04 6.97 6.90 2f7tA1 GLN 221 HE22 -0.05 -0.01 0.02 -0.04 7.69 7.61 2f7tA1 GLN 222 H -0.01 0.51 -0.19 -0.55 8.47 8.23 2f7tA1 GLN 222 HA -0.02 0.02 0.47 -0.75 4.36 4.07 2f7tA1 GLN 222 HB2 -0.01 0.14 0.09 -0.04 2.15 2.32 2f7tA1 GLN 222 HB3 0.02 -0.04 -0.07 -0.04 2.02 1.89 2f7tA1 GLN 222 HG2 0.29 -0.03 -0.07 -0.04 2.40 2.55 2f7tA1 GLN 222 HG3 0.20 0.27 -0.05 -0.04 2.39 2.77 2f7tA1 GLN 222 HE21 0.31 -0.02 -0.13 -0.04 6.97 7.09 2f7tA1 GLN 222 HE22 0.32 0.01 -0.12 -0.04 7.69 7.86 2f7tA1 LEU 223 H -0.38 0.48 -0.21 -0.55 8.37 7.72 2f7tA1 LEU 223 HA -0.58 0.02 0.31 -0.75 4.35 3.34 2f7tA1 LEU 223 HB2 -0.43 0.14 0.10 -0.04 1.64 1.40 2f7tA1 LEU 223 HB3 -0.64 0.01 -0.07 -0.04 1.64 0.90 2f7tA1 LEU 223 HG -0.88 0.15 -0.00 -0.04 1.64 0.87 2f7tA1 LEU 223 HD13 -0.35 -0.01 -0.07 -0.04 0.93 0.46 2f7tA1 LEU 223 HD23 -0.55 -0.02 -0.11 -0.04 0.89 0.18 2f7tA1 ILE 224 H -0.28 0.39 -0.24 -0.55 8.25 7.58 2f7tA1 ILE 224 HA -0.28 0.07 0.45 -0.75 4.18 3.67 2f7tA1 ILE 224 HB -0.17 0.08 0.17 -0.04 1.89 1.92 2f7tA1 ILE 224 HG12 -0.20 0.00 0.02 -0.04 1.49 1.26 2f7tA1 ILE 224 HG13 -0.24 0.05 0.03 -0.04 1.21 1.01 2f7tA1 ILE 224 HG23 -0.14 -0.01 -0.13 -0.04 0.93 0.61 2f7tA1 ILE 224 HD13 -0.12 -0.03 -0.08 -0.04 0.88 0.61 2f7tA1 ASN 225 H -0.27 0.44 -0.20 -0.55 8.53 7.96 2f7tA1 ASN 225 HA -0.29 0.02 0.51 -0.75 4.76 4.25 2f7tA1 ASN 225 HB2 -0.34 0.11 0.18 -0.04 2.88 2.79 2f7tA1 ASN 225 HB3 -0.72 -0.04 -0.03 -0.04 2.79 1.96 2f7tA1 ASN 225 HD21 -0.01 -0.09 -0.03 -0.04 7.03 6.85 2f7tA1 ASN 225 HD22 -0.01 -0.01 -0.11 -0.04 7.74 7.58 2f7tA1 LEU 226 H -0.56 0.75 -0.08 -0.55 8.37 7.93 2f7tA1 LEU 226 HA -0.52 -0.02 0.38 -0.75 4.35 3.43 2f7tA1 LEU 226 HB2 -0.85 -0.03 0.00 -0.04 1.64 0.72 2f7tA1 LEU 226 HB3 -0.50 0.09 0.13 -0.04 1.64 1.32 2f7tA1 LEU 226 HG -0.17 0.04 -0.35 -0.04 1.64 1.12 2f7tA1 LEU 226 HD13 -0.03 -0.02 -0.07 -0.04 0.93 0.77 2f7tA1 LEU 226 HD23 -0.69 -0.01 -0.13 -0.04 0.89 0.01 2f7tA1 ASN 227 H -0.19 0.52 -0.36 -0.55 8.53 7.96 2f7tA1 ASN 227 HA 0.14 0.00 0.40 -0.75 4.76 4.55 2f7tA1 ASN 227 HB2 -0.09 0.08 0.13 -0.04 2.88 2.95 2f7tA1 ASN 227 HB3 -0.14 0.16 0.12 -0.04 2.79 2.89 2f7tA1 ASN 227 HD21 -0.04 0.03 -0.03 -0.04 7.03 6.95 2f7tA1 ASN 227 HD22 -0.10 -0.00 -0.07 -0.04 7.74 7.52 2f7tA1 ARG 228 H -0.18 0.36 -0.20 -0.55 8.46 7.89 2f7tA1 ARG 228 HA -0.07 0.04 0.49 -0.75 4.34 4.06 2f7tA1 ARG 228 HB2 -0.17 0.14 0.17 -0.04 1.90 2.00 2f7tA1 ARG 228 HB3 -0.08 -0.05 0.01 -0.04 1.80 1.64 2f7tA1 ARG 228 HG2 -0.09 -0.02 0.04 -0.04 1.67 1.57 2f7tA1 ARG 228 HG3 -0.14 0.17 0.06 -0.04 1.67 1.73 2f7tA1 ARG 228 HD2 -0.09 -0.03 0.00 -0.04 3.22 3.06 2f7tA1 ARG 228 HD3 -0.06 -0.01 0.00 -0.04 3.22 3.11 2f7tA1 ALA 229 H -0.20 0.49 -0.21 -0.55 8.40 7.93 2f7tA1 ALA 229 HA -0.02 0.01 0.45 -0.75 4.34 4.02 2f7tA1 ALA 229 HB3 -0.04 0.05 0.07 -0.04 1.41 1.45 2f7tA1 LEU 230 H -0.06 0.53 -0.11 -0.55 8.37 8.19 2f7tA1 LEU 230 HA 0.02 0.01 0.37 -0.75 4.35 4.00 2f7tA1 LEU 230 HB2 -0.04 0.13 0.13 -0.04 1.64 1.82 2f7tA1 LEU 230 HB3 -0.01 0.01 -0.23 -0.04 1.64 1.37 2f7tA1 LEU 230 HG -0.18 -0.00 -0.05 -0.04 1.64 1.36 2f7tA1 LEU 230 HD13 -0.57 -0.00 -0.07 -0.04 0.93 0.25 2f7tA1 LEU 230 HD23 -0.08 -0.02 -0.05 -0.04 0.89 0.71 2f7tA1 GLN 231 H 0.00 0.49 -0.22 -0.55 8.47 8.19 2f7tA1 GLN 231 HA 0.06 0.02 0.47 -0.75 4.36 4.15 2f7tA1 GLN 231 HB2 0.00 0.20 0.22 -0.04 2.15 2.52 2f7tA1 GLN 231 HB3 0.00 0.01 -0.02 -0.04 2.02 1.98 2f7tA1 GLN 231 HG2 0.01 -0.05 0.04 -0.04 2.40 2.36 2f7tA1 GLN 231 HG3 0.03 -0.06 0.12 -0.04 2.39 2.45 2f7tA1 GLN 231 HE21 0.00 -0.02 -0.02 -0.04 6.97 6.89 2f7tA1 GLN 231 HE22 -0.01 -0.06 0.01 -0.04 7.69 7.59 2f7tA1 ARG 232 H 0.00 0.35 -0.25 -0.55 8.46 8.01 2f7tA1 ARG 232 HA 0.01 0.05 0.53 -0.75 4.34 4.18 2f7tA1 ARG 232 HB2 0.00 -0.03 0.09 -0.04 1.90 1.93 2f7tA1 ARG 232 HB3 0.01 0.07 0.15 -0.04 1.80 1.99 2f7tA1 ARG 232 HG2 0.02 0.03 -0.19 -0.04 1.67 1.49 2f7tA1 ARG 232 HG3 0.01 -0.04 0.08 -0.04 1.67 1.68 2f7tA1 ARG 232 HD2 0.02 -0.04 -0.01 -0.04 3.22 3.15 2f7tA1 ARG 232 HD3 0.01 -0.04 0.01 -0.04 3.22 3.16 2f7tA1 LYS 233 H 0.03 0.40 -0.16 -0.55 8.42 8.13 2f7tA1 LYS 233 HA 0.03 0.13 0.71 -0.75 4.32 4.43 2f7tA1 LYS 233 HB2 0.05 -0.01 0.02 -0.04 1.87 1.89 2f7tA1 LYS 233 HB3 0.04 -0.06 0.10 -0.04 1.79 1.83 2f7tA1 LYS 233 HG2 0.04 -0.06 -0.09 -0.04 1.46 1.31 2f7tA1 LYS 233 HG3 0.04 0.18 0.09 -0.04 1.46 1.72 2f7tA1 LYS 233 HD2 0.07 -0.07 0.06 -0.04 1.69 1.70 2f7tA1 LYS 233 HD3 0.07 0.06 0.09 -0.04 1.68 1.86 2f7tA1 LYS 233 HE2 0.04 -0.02 0.03 -0.04 2.99 3.00 2f7tA1 LYS 233 HE3 0.04 -0.06 0.02 -0.04 2.99 2.95 2f7tA1 ARG 234 H 0.05 0.60 -0.17 -0.55 8.46 8.39 2f7tA1 ARG 234 HA 0.02 0.15 0.91 -0.75 4.34 4.67 2f7tA1 ARG 234 HB2 0.25 0.10 0.19 -0.04 1.90 2.40 2f7tA1 ARG 234 HB3 0.05 -0.13 0.06 -0.04 1.80 1.73 2f7tA1 ARG 234 HG2 0.08 -0.02 -0.43 -0.04 1.67 1.25 2f7tA1 ARG 234 HG3 0.15 -0.06 -0.07 -0.04 1.67 1.66 2f7tA1 ARG 234 HD2 0.03 -0.07 0.00 -0.04 3.22 3.14 2f7tA1 ARG 234 HD3 0.03 0.21 0.07 -0.04 3.22 3.49 2f7tA1 PRO 235 HA 0.02 0.12 0.39 -0.51 4.44 4.45 2f7tA1 PRO 235 HB2 -0.01 -0.02 -0.01 -0.04 2.28 2.20 2f7tA1 PRO 235 HB3 0.00 0.05 0.05 -0.04 2.02 2.08 2f7tA1 PRO 235 HG2 0.00 0.02 0.04 -0.04 2.03 2.04 2f7tA1 PRO 235 HG3 0.01 0.13 -0.01 -0.04 2.03 2.11 2f7tA1 PRO 235 HD2 -0.02 0.03 0.15 -0.04 3.68 3.80 2f7tA1 PRO 235 HD3 0.01 0.34 -0.26 -0.04 3.65 3.70 2f7tA1 GLU 236 H -0.07 0.15 -0.06 -0.55 8.60 8.07 2f7tA1 GLU 236 HA -0.02 0.04 0.48 -0.75 4.29 4.04 2f7tA1 GLU 236 HB2 -0.37 -0.01 -0.02 -0.04 2.09 1.65 2f7tA1 GLU 236 HB3 -0.21 0.05 -0.12 -0.04 1.99 1.68 2f7tA1 GLU 236 HG2 -0.04 -0.04 0.05 -0.04 2.34 2.27 2f7tA1 GLU 236 HG3 -0.10 0.03 -0.00 -0.04 2.34 2.23 2f7tA1 TYR 237 H -0.17 0.27 -0.34 -0.55 8.29 7.50 2f7tA1 TYR 237 HA 0.04 0.11 0.69 -0.75 4.56 4.65 2f7tA1 TYR 237 HB2 -0.02 0.19 0.00 -0.04 3.06 3.19 2f7tA1 TYR 237 HB3 -0.01 -0.01 -0.02 -0.04 2.98 2.91 2f7tA1 TYR 237 HD2 -0.02 0.20 -0.06 -0.04 7.15 7.23 2f7tA1 TYR 237 HE2 -0.07 0.00 -0.27 -0.04 6.85 6.47 2f7tA1 GLN 238 H 0.09 0.35 0.12 -0.55 8.47 8.49 2f7tA1 GLN 238 HA 0.07 0.04 0.64 -0.75 4.36 4.34 2f7tA1 GLN 238 HB2 0.05 0.19 0.19 -0.04 2.15 2.54 2f7tA1 GLN 238 HB3 0.03 -0.01 0.18 -0.04 2.02 2.18 2f7tA1 GLN 238 HG2 0.03 -0.05 0.13 -0.04 2.40 2.46 2f7tA1 GLN 238 HG3 0.02 0.12 0.05 -0.04 2.39 2.54 2f7tA1 GLN 238 HE21 0.01 -0.05 -0.09 -0.04 6.97 6.80 2f7tA1 GLN 238 HE22 0.01 -0.00 -0.03 -0.04 7.69 7.62 2f7tA1 LYS 239 H 0.04 0.51 -0.24 -0.55 8.42 8.18 2f7tA1 LYS 239 HA 0.02 0.08 0.36 -0.75 4.32 4.03 2f7tA1 LYS 239 HB2 0.01 0.08 0.05 -0.04 1.87 1.97 2f7tA1 LYS 239 HB3 0.00 -0.05 0.10 -0.04 1.79 1.81 2f7tA1 LYS 239 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.39 2f7tA1 LYS 239 HG3 0.01 -0.03 -0.05 -0.04 1.46 1.35 2f7tA1 LYS 239 HD2 0.00 0.01 -0.15 -0.04 1.69 1.52 2f7tA1 LYS 239 HD3 0.00 -0.04 -0.04 -0.04 1.68 1.56 2f7tA1 LYS 239 HE2 0.00 -0.02 -0.03 -0.04 2.99 2.90 2f7tA1 LYS 239 HE3 0.01 0.03 -0.02 -0.04 2.99 2.96 2f7tA1 ARG 240 H 0.07 0.33 -0.77 -0.55 8.46 7.54 2f7tA1 ARG 240 HA 0.10 0.09 0.32 -0.75 4.34 4.09 2f7tA1 ARG 240 HB2 0.02 -0.01 0.03 -0.04 1.90 1.90 2f7tA1 ARG 240 HB3 0.04 -0.04 0.14 -0.04 1.80 1.90 2f7tA1 ARG 240 HG2 0.07 0.18 0.08 -0.04 1.67 1.96 2f7tA1 ARG 240 HG3 0.04 0.09 -0.15 -0.04 1.67 1.61 2f7tA1 ARG 240 HD2 0.02 -0.01 0.02 -0.04 3.22 3.22 2f7tA1 ARG 240 HD3 0.02 -0.08 0.00 -0.04 3.22 3.13 2f7tA1 GLN 241 H 0.01 0.26 -0.31 -0.55 8.47 7.89 2f7tA1 GLN 241 HA -0.09 0.16 0.84 -0.75 4.36 4.51 2f7tA1 GLN 241 HB2 -0.20 -0.07 0.13 -0.04 2.15 1.98 2f7tA1 GLN 241 HB3 -0.06 0.04 0.04 -0.04 2.02 1.99 2f7tA1 GLN 241 HG2 -0.00 0.35 0.08 -0.04 2.40 2.79 2f7tA1 GLN 241 HG3 -0.04 -0.08 -0.11 -0.04 2.39 2.11 2f7tA1 GLN 241 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.88 2f7tA1 GLN 241 HE22 0.06 -0.04 -0.00 -0.04 7.69 7.66 2f7tA1 HIS 242 H 0.12 0.21 -0.13 -0.55 8.41 8.06 2f7tA1 HIS 242 HA 0.08 0.10 0.47 -0.75 4.63 4.52 2f7tA1 HIS 242 HB2 -0.04 -0.08 -0.20 -0.04 3.26 2.90 2f7tA1 HIS 242 HB3 0.15 0.07 -0.15 -0.04 3.20 3.22 2f7tA1 HIS 242 HD2 0.08 -0.02 0.07 -0.04 6.97 7.06 2f7tA1 HIS 242 HE1 0.04 -0.06 -0.04 -0.04 7.75 7.64 2f7tA1 ARG 243 H 0.17 0.14 0.05 -0.55 8.46 8.27 2f7tA1 ARG 243 HA 0.11 0.13 0.78 -0.75 4.34 4.59 2f7tA1 ARG 243 HB2 0.07 0.02 0.06 -0.04 1.90 2.01 2f7tA1 ARG 243 HB3 0.08 -0.06 0.10 -0.04 1.80 1.89 2f7tA1 ARG 243 HG2 0.05 0.07 -0.16 -0.04 1.67 1.59 2f7tA1 ARG 243 HG3 0.09 0.14 0.13 -0.04 1.67 2.00 2f7tA1 ARG 243 HD2 0.04 -0.04 0.02 -0.04 3.22 3.20 2f7tA1 ARG 243 HD3 0.03 -0.09 -0.01 -0.04 3.22 3.11 2f7tA1 VAL 244 H -0.14 0.17 0.14 -0.55 8.24 7.86 2f7tA1 VAL 244 HA -0.37 0.16 0.59 -0.75 4.13 3.75 2f7tA1 VAL 244 HB -1.04 -0.01 0.13 -0.04 2.12 1.16 2f7tA1 VAL 244 HG13 -1.24 -0.02 -0.19 -0.04 0.97 -0.52 2f7tA1 VAL 244 HG23 -1.33 0.02 -0.00 -0.04 0.95 -0.41 2f7tA1 ILE 245 H -0.13 0.72 0.31 -0.55 8.25 8.60 2f7tA1 ILE 245 HA -0.00 0.17 0.90 -0.75 4.18 4.49 2f7tA1 ILE 245 HB 0.02 -0.04 -0.07 -0.04 1.89 1.76 2f7tA1 ILE 245 HG12 -0.04 -0.01 -0.02 -0.04 1.49 1.38 2f7tA1 ILE 245 HG13 -0.01 0.11 -0.14 -0.04 1.21 1.13 2f7tA1 ILE 245 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.72 2f7tA1 ILE 245 HD13 -0.01 0.00 -0.01 -0.04 0.88 0.82 2f7tA1 PHE 246 H 0.15 0.87 0.21 -0.55 8.34 9.01 2f7tA1 PHE 246 HA -0.17 0.28 0.85 -0.75 4.62 4.82 2f7tA1 PHE 246 HB2 0.06 -0.03 -0.11 -0.04 3.15 3.04 2f7tA1 PHE 246 HB3 0.04 -0.00 0.01 -0.04 3.06 3.07 2f7tA1 PHE 246 HD2 -0.32 0.04 -0.11 -0.04 7.28 6.84 2f7tA1 PHE 246 HE2 -0.19 -0.04 -0.17 -0.04 7.38 6.94 2f7tA1 PHE 246 HZ 0.31 -0.07 -0.15 -0.04 7.32 7.37 2f7tA1 LEU 247 H -0.44 0.70 0.42 -0.55 8.37 8.50 2f7tA1 LEU 247 HA -0.12 0.15 0.85 -0.75 4.35 4.47 2f7tA1 LEU 247 HB2 -0.08 0.03 -0.04 -0.04 1.64 1.51 2f7tA1 LEU 247 HB3 -0.24 -0.01 0.17 -0.04 1.64 1.52 2f7tA1 LEU 247 HG -0.24 -0.16 0.02 -0.04 1.64 1.22 2f7tA1 LEU 247 HD13 -0.20 0.03 -0.05 -0.04 0.93 0.67 2f7tA1 LEU 247 HD23 -0.03 0.02 0.05 -0.04 0.89 0.89 2f7tA1 HIS 248 H 0.06 0.37 0.17 -0.55 8.41 8.46 2f7tA1 HIS 248 HA -0.18 0.15 0.75 -0.75 4.63 4.60 2f7tA1 HIS 248 HB2 0.03 -0.12 0.15 -0.04 3.26 3.29 2f7tA1 HIS 248 HB3 -0.47 0.00 -0.06 -0.04 3.20 2.63 2f7tA1 HIS 248 HD2 0.05 -0.00 -0.01 -0.04 6.97 6.97 2f7tA1 HIS 248 HE1 0.44 0.07 0.01 -0.04 7.75 8.23 2f7tA1 ASP 249 H 0.16 0.07 0.18 -0.55 8.40 8.26 2f7tA1 ASP 249 HA 0.21 0.31 0.71 -0.75 4.63 5.11 2f7tA1 ASP 249 HB2 0.07 -0.11 0.16 -0.04 2.71 2.78 2f7tA1 ASP 249 HB3 0.18 0.06 0.06 -0.04 2.70 2.96 2f7tA1 ASN 250 H -0.03 0.13 0.05 -0.55 8.53 8.12 2f7tA1 ASN 250 HA -0.11 0.33 0.78 -0.75 4.76 5.01 2f7tA1 ASN 250 HB2 -0.04 0.00 0.10 -0.04 2.88 2.89 2f7tA1 ASN 250 HB3 -0.01 0.11 -0.05 -0.04 2.79 2.79 2f7tA1 ASN 250 HD21 -0.16 -0.06 -0.05 -0.04 7.03 6.72 2f7tA1 ASN 250 HD22 -0.12 -0.08 -0.09 -0.04 7.74 7.41 2f7tA1 ALA 251 H -0.33 0.02 -0.43 -0.55 8.40 7.12 2f7tA1 ALA 251 HA -0.21 0.12 0.53 -0.75 4.34 4.02 2f7tA1 ALA 251 HB3 -0.62 -0.00 0.02 -0.04 1.41 0.77 2f7tA1 PRO 252 HA -0.04 0.18 0.24 -0.51 4.44 4.31 2f7tA1 PRO 252 HB2 -0.03 -0.06 0.11 -0.04 2.28 2.26 2f7tA1 PRO 252 HB3 -0.02 0.07 0.07 -0.04 2.02 2.10 2f7tA1 PRO 252 HG2 -0.04 0.07 0.10 -0.04 2.03 2.13 2f7tA1 PRO 252 HG3 -0.06 0.13 0.11 -0.04 2.03 2.17 2f7tA1 PRO 252 HD2 -0.11 0.05 0.19 -0.04 3.68 3.77 2f7tA1 PRO 252 HD3 -0.12 0.14 0.27 -0.04 3.65 3.89 2f7tA1 SER 253 H -0.07 0.18 -0.06 -0.55 8.46 7.96 2f7tA1 SER 253 HA 0.05 -0.07 0.39 -0.75 4.49 4.10 2f7tA1 SER 253 HB2 0.07 -0.07 -0.43 -0.04 3.95 3.48 2f7tA1 SER 253 HB3 -0.00 0.08 0.04 -0.04 3.93 4.01 2f7tA1 HIS 254 H -0.11 0.15 -0.69 -0.55 8.41 7.22 2f7tA1 HIS 254 HA -0.04 0.03 0.45 -0.75 4.63 4.31 2f7tA1 HIS 254 HB2 -0.25 0.23 -0.01 -0.04 3.26 3.19 2f7tA1 HIS 254 HB3 -0.46 0.08 0.04 -0.04 3.20 2.82 2f7tA1 HIS 254 HD2 -0.92 -0.14 -0.35 -0.04 6.97 5.51 2f7tA1 HIS 254 HE1 -0.01 -0.05 0.00 -0.04 7.75 7.64 2f7tA1 THR 255 H 0.06 0.53 -0.25 -0.55 8.28 8.07 2f7tA1 THR 255 HA 0.13 0.22 0.82 -0.75 4.39 4.80 2f7tA1 THR 255 HB 0.05 -0.04 0.13 -0.04 4.32 4.41 2f7tA1 THR 255 HG23 0.03 0.01 -0.17 -0.04 1.22 1.05 2f7tA1 ALA 256 H 0.09 0.20 -0.08 -0.55 8.40 8.07 2f7tA1 ALA 256 HA 0.04 0.09 0.52 -0.75 4.34 4.24 2f7tA1 ALA 256 HB3 0.07 -0.02 0.13 -0.04 1.41 1.55 2f7tA1 ARG 257 H 0.03 0.13 0.18 -0.55 8.46 8.25 2f7tA1 ARG 257 HA 0.02 0.16 0.43 -0.75 4.34 4.20 2f7tA1 ARG 257 HB2 0.02 0.08 0.15 -0.04 1.90 2.11 2f7tA1 ARG 257 HB3 0.02 -0.08 0.17 -0.04 1.80 1.86 2f7tA1 ARG 257 HG2 0.01 0.03 0.01 -0.04 1.67 1.67 2f7tA1 ARG 257 HG3 0.00 -0.01 -0.15 -0.04 1.67 1.47 2f7tA1 ARG 257 HD2 -0.00 -0.00 -0.03 -0.04 3.22 3.14 2f7tA1 ARG 257 HD3 0.01 0.01 0.06 -0.04 3.22 3.26 2f7tA1 ALA 258 H 0.03 0.06 -0.11 -0.55 8.40 7.83 2f7tA1 ALA 258 HA -0.00 0.12 0.32 -0.75 4.34 4.02 2f7tA1 ALA 258 HB3 0.01 0.01 0.03 -0.04 1.41 1.43 2f7tA1 VAL 259 H 0.07 0.11 -0.46 -0.55 8.24 7.41 2f7tA1 VAL 259 HA 0.02 0.03 0.33 -0.75 4.13 3.76 2f7tA1 VAL 259 HB 0.18 0.09 -0.05 -0.04 2.12 2.30 2f7tA1 VAL 259 HG13 0.35 0.02 -0.13 -0.04 0.97 1.17 2f7tA1 VAL 259 HG23 0.22 -0.02 0.02 -0.04 0.95 1.12 2f7tA1 ARG 260 H 0.06 0.43 -0.21 -0.55 8.46 8.18 2f7tA1 ARG 260 HA 0.05 0.09 0.36 -0.75 4.34 4.09 2f7tA1 ARG 260 HB2 0.03 0.05 0.11 -0.04 1.90 2.05 2f7tA1 ARG 260 HB3 0.02 -0.02 -0.07 -0.04 1.80 1.69 2f7tA1 ARG 260 HG2 0.08 0.00 0.02 -0.04 1.67 1.73 2f7tA1 ARG 260 HG3 0.09 0.04 -0.08 -0.04 1.67 1.68 2f7tA1 ARG 260 HD2 0.04 -0.06 -0.07 -0.04 3.22 3.09 2f7tA1 ARG 260 HD3 0.04 -0.04 -0.02 -0.04 3.22 3.16 2f7tA1 ASP 261 H -0.01 0.43 -0.20 -0.55 8.40 8.07 2f7tA1 ASP 261 HA -0.05 0.05 0.54 -0.75 4.63 4.42 2f7tA1 ASP 261 HB2 -0.04 0.07 0.16 -0.04 2.71 2.87 2f7tA1 ASP 261 HB3 -0.05 -0.02 0.01 -0.04 2.70 2.60 2f7tA1 THR 262 H -0.09 0.52 -0.03 -0.55 8.28 8.14 2f7tA1 THR 262 HA -0.19 0.00 0.46 -0.75 4.39 3.90 2f7tA1 THR 262 HB -0.17 0.13 0.16 -0.04 4.32 4.40 2f7tA1 THR 262 HG23 -0.33 -0.00 -0.10 -0.04 1.22 0.75 2f7tA1 LEU 263 H -0.16 0.65 -0.15 -0.55 8.37 8.17 2f7tA1 LEU 263 HA -0.51 -0.01 0.56 -0.75 4.35 3.64 2f7tA1 LEU 263 HB2 -0.05 0.09 0.12 -0.04 1.64 1.76 2f7tA1 LEU 263 HB3 -0.08 0.02 -0.03 -0.04 1.64 1.51 2f7tA1 LEU 263 HG -0.18 -0.01 0.01 -0.04 1.64 1.42 2f7tA1 LEU 263 HD13 0.22 -0.02 -0.09 -0.04 0.93 1.00 2f7tA1 LEU 263 HD23 -0.37 -0.02 -0.05 -0.04 0.89 0.41 2f7tA1 GLU 264 H -0.11 0.50 -0.14 -0.55 8.60 8.31 2f7tA1 GLU 264 HA -0.09 0.06 0.57 -0.75 4.29 4.08 2f7tA1 GLU 264 HB2 -0.08 0.15 0.26 -0.04 2.09 2.38 2f7tA1 GLU 264 HB3 -0.07 -0.03 -0.14 -0.04 1.99 1.71 2f7tA1 GLU 264 HG2 -0.04 -0.01 0.07 -0.04 2.34 2.32 2f7tA1 GLU 264 HG3 -0.03 0.10 0.08 -0.04 2.34 2.45 2f7tA1 THR 265 H -0.16 0.54 -0.03 -0.55 8.28 8.08 2f7tA1 THR 265 HA -0.12 0.03 0.51 -0.75 4.39 4.05 2f7tA1 THR 265 HB -0.21 0.05 0.18 -0.04 4.32 4.30 2f7tA1 THR 265 HG23 -0.13 -0.02 -0.08 -0.04 1.22 0.95 2f7tA1 LEU 266 H -0.41 0.60 -0.04 -0.55 8.37 7.97 2f7tA1 LEU 266 HA -0.37 0.01 0.45 -0.75 4.35 3.69 2f7tA1 LEU 266 HB2 -1.16 0.06 0.12 -0.04 1.64 0.62 2f7tA1 LEU 266 HB3 -1.71 -0.05 0.01 -0.04 1.64 -0.16 2f7tA1 LEU 266 HG -0.62 0.08 0.05 -0.04 1.64 1.11 2f7tA1 LEU 266 HD13 -1.54 -0.04 -0.14 -0.04 0.93 -0.82 2f7tA1 LEU 266 HD23 -0.44 -0.02 0.00 -0.04 0.89 0.39 2f7tA1 ASN 267 H -0.29 0.17 -0.69 -0.55 8.53 7.17 2f7tA1 ASN 267 HA -0.09 0.07 0.31 -0.75 4.76 4.29 2f7tA1 ASN 267 HB2 -0.07 0.10 -0.23 -0.04 2.88 2.64 2f7tA1 ASN 267 HB3 -0.00 -0.01 0.12 -0.04 2.79 2.85 2f7tA1 ASN 267 HD21 -0.02 -0.15 0.02 -0.04 7.03 6.85 2f7tA1 ASN 267 HD22 -0.05 0.34 0.15 -0.04 7.74 8.14 2f7tA1 TRP 268 H -0.19 0.14 -0.11 -0.55 7.97 7.27 2f7tA1 TRP 268 HA -0.10 0.15 0.71 -0.75 4.62 4.63 2f7tA1 TRP 268 HB2 -0.20 -0.07 -0.05 -0.04 3.23 2.87 2f7tA1 TRP 268 HB3 -0.12 0.02 -0.12 -0.04 3.23 2.98 2f7tA1 TRP 268 HD1 -0.17 0.12 -0.23 -0.04 7.22 6.90 2f7tA1 TRP 268 HE1 -0.23 0.05 -0.02 -0.04 10.20 9.95 2f7tA1 TRP 268 HE3 -1.20 -0.02 -0.10 -0.04 7.59 6.23 2f7tA1 TRP 268 HZ2 -0.32 -0.01 -0.04 -0.04 7.44 7.02 2f7tA1 TRP 268 HZ3 -1.40 -0.07 -0.10 -0.04 7.13 5.52 2f7tA1 TRP 268 HH2 -0.55 -0.03 -0.10 -0.04 7.19 6.48 2f7tA1 GLU 269 H 0.11 0.48 0.27 -0.55 8.60 8.91 2f7tA1 GLU 269 HA 0.06 0.06 0.62 -0.75 4.29 4.27 2f7tA1 GLU 269 HB2 0.02 0.06 0.13 -0.04 2.09 2.25 2f7tA1 GLU 269 HB3 0.00 -0.08 0.18 -0.04 1.99 2.05 2f7tA1 GLU 269 HG2 -0.02 0.05 -0.20 -0.04 2.34 2.13 2f7tA1 GLU 269 HG3 -0.01 -0.00 0.01 -0.04 2.34 2.30 2f7tA1 VAL 270 H 0.07 0.15 0.13 -0.55 8.24 8.04 2f7tA1 VAL 270 HA 0.17 0.21 0.90 -0.75 4.13 4.65 2f7tA1 VAL 270 HB 0.12 -0.06 0.13 -0.04 2.12 2.27 2f7tA1 VAL 270 HG13 0.24 0.02 -0.07 -0.04 0.97 1.11 2f7tA1 VAL 270 HG23 0.19 0.03 -0.11 -0.04 0.95 1.02 2f7tA1 LEU 271 H 0.07 0.59 0.27 -0.55 8.37 8.75 2f7tA1 LEU 271 HA -0.02 0.06 0.52 -0.75 4.35 4.15 2f7tA1 LEU 271 HB2 0.02 0.11 0.04 -0.04 1.64 1.78 2f7tA1 LEU 271 HB3 0.05 -0.03 -0.02 -0.04 1.64 1.60 2f7tA1 LEU 271 HG -0.01 0.04 0.02 -0.04 1.64 1.66 2f7tA1 LEU 271 HD13 -0.20 -0.00 -0.06 -0.04 0.93 0.63 2f7tA1 LEU 271 HD23 0.22 -0.02 -0.07 -0.04 0.89 0.98 2f7tA1 PRO 272 HA 0.06 0.07 0.55 -0.51 4.44 4.61 2f7tA1 PRO 272 HB2 -0.01 -0.04 -0.06 -0.04 2.28 2.13 2f7tA1 PRO 272 HB3 -0.00 0.02 0.07 -0.04 2.02 2.07 2f7tA1 PRO 272 HG2 -0.08 0.00 0.10 -0.04 2.03 2.01 2f7tA1 PRO 272 HG3 -0.05 0.04 0.09 -0.04 2.03 2.06 2f7tA1 PRO 272 HD2 -0.07 0.06 0.20 -0.04 3.68 3.83 2f7tA1 PRO 272 HD3 -0.05 0.18 0.22 -0.04 3.65 3.96 2f7tA1 HIS 273 H 0.10 0.25 0.12 -0.55 8.41 8.34 2f7tA1 HIS 273 HA 0.04 0.13 0.83 -0.75 4.63 4.89 2f7tA1 HIS 273 HB2 0.06 0.11 -0.17 -0.04 3.26 3.22 2f7tA1 HIS 273 HB3 0.03 -0.04 0.11 -0.04 3.20 3.26 2f7tA1 HIS 273 HD2 0.02 -0.22 -0.07 -0.04 6.97 6.66 2f7tA1 HIS 273 HE1 0.16 -0.03 -0.31 -0.04 7.75 7.53 2f7tA1 ALA 274 H -0.13 0.18 -0.04 -0.55 8.40 7.87 2f7tA1 ALA 274 HA -0.09 0.01 0.47 -0.75 4.34 3.97 2f7tA1 ALA 274 HB3 -0.10 0.05 -0.03 -0.04 1.41 1.29 2f7tA1 ALA 275 H -0.08 0.13 0.08 -0.55 8.40 7.99 2f7tA1 ALA 275 HA -0.25 0.00 0.66 -0.75 4.34 3.99 2f7tA1 ALA 275 HB3 -0.12 0.01 0.07 -0.04 1.41 1.34 2f7tA1 TYR 276 H -0.34 0.10 0.12 -0.55 8.29 7.62 2f7tA1 TYR 276 HA -0.04 0.00 0.29 -0.75 4.56 4.06 2f7tA1 TYR 276 HB2 -0.09 0.31 0.04 -0.04 3.06 3.28 2f7tA1 TYR 276 HB3 -0.03 0.02 0.18 -0.04 2.98 3.10 2f7tA1 TYR 276 HD2 -0.18 0.05 -0.14 -0.04 7.15 6.83 2f7tA1 TYR 276 HE2 -0.09 0.01 -0.02 -0.04 6.85 6.70 2f7tA1 SER 277 H -0.00 0.10 -0.16 -0.55 8.46 7.85 2f7tA1 SER 277 HA 0.23 0.30 0.92 -0.75 4.49 5.18 2f7tA1 SER 277 HB2 -0.25 0.10 -0.07 -0.04 3.95 3.69 2f7tA1 SER 277 HB3 0.12 -0.04 0.03 -0.04 3.93 4.00 2f7tA1 PRO 278 HA 0.20 0.05 0.53 -0.51 4.44 4.71 2f7tA1 PRO 278 HB2 0.10 0.07 -0.03 -0.04 2.28 2.38 2f7tA1 PRO 278 HB3 0.11 0.02 0.07 -0.04 2.02 2.18 2f7tA1 PRO 278 HG2 0.02 0.07 -0.01 -0.04 2.03 2.07 2f7tA1 PRO 278 HG3 0.04 0.10 -0.01 -0.04 2.03 2.12 2f7tA1 PRO 278 HD2 0.20 0.46 -0.26 -0.04 3.68 4.03 2f7tA1 PRO 278 HD3 0.13 0.02 -0.19 -0.04 3.65 3.56 2f7tA1 ASP 279 H 0.15 0.17 -0.32 -0.55 8.40 7.85 2f7tA1 ASP 279 HA 0.15 0.12 0.45 -0.75 4.63 4.59 2f7tA1 ASP 279 HB2 -0.25 0.05 0.07 -0.04 2.71 2.53 2f7tA1 ASP 279 HB3 -0.13 0.01 0.05 -0.04 2.70 2.59 2f7tA1 LEU 280 H 0.31 0.42 -0.61 -0.55 8.37 7.94 2f7tA1 LEU 280 HA 0.29 0.24 0.83 -0.75 4.35 4.95 2f7tA1 LEU 280 HB2 0.43 0.05 0.00 -0.04 1.64 2.07 2f7tA1 LEU 280 HB3 0.48 0.01 0.10 -0.04 1.64 2.18 2f7tA1 LEU 280 HG 0.31 -0.10 -0.30 -0.04 1.64 1.51 2f7tA1 LEU 280 HD13 0.24 -0.00 -0.06 -0.04 0.93 1.06 2f7tA1 LEU 280 HD23 0.42 0.06 -0.22 -0.04 0.89 1.10 2f7tA1 ALA 281 H 0.35 0.23 -0.21 -0.55 8.40 8.23 2f7tA1 ALA 281 HA -0.05 0.22 0.67 -0.75 4.34 4.43 2f7tA1 ALA 281 HB3 0.11 0.00 0.11 -0.04 1.41 1.60 2f7tA1 PRO 282 HA -1.53 0.09 0.28 -0.51 4.44 2.77 2f7tA1 PRO 282 HB2 -0.37 -0.01 -0.13 -0.04 2.28 1.73 2f7tA1 PRO 282 HB3 -0.24 0.17 -0.12 -0.04 2.02 1.79 2f7tA1 PRO 282 HG2 -0.31 0.06 0.03 -0.04 2.03 1.77 2f7tA1 PRO 282 HG3 -0.08 0.14 0.01 -0.04 2.03 2.05 2f7tA1 PRO 282 HD2 -0.22 0.05 0.16 -0.04 3.68 3.64 2f7tA1 PRO 282 HD3 -0.02 0.39 0.21 -0.04 3.65 4.20 2f7tA1 SER 283 H -0.07 0.17 -0.38 -0.55 8.46 7.64 2f7tA1 SER 283 HA 0.17 0.05 0.40 -0.75 4.49 4.36 2f7tA1 SER 283 HB2 -0.13 0.01 -0.14 -0.04 3.95 3.66 2f7tA1 SER 283 HB3 -0.63 0.02 -0.12 -0.04 3.93 3.16 2f7tA1 ASP 284 H -0.09 0.41 -0.28 -0.55 8.40 7.89 2f7tA1 ASP 284 HA 0.14 0.08 0.53 -0.75 4.63 4.62 2f7tA1 ASP 284 HB2 0.11 0.25 0.26 -0.04 2.71 3.29 2f7tA1 ASP 284 HB3 0.12 0.01 0.00 -0.04 2.70 2.80 2f7tA1 TYR 285 H -0.07 0.48 0.09 -0.55 8.29 8.25 2f7tA1 TYR 285 HA 0.06 0.05 0.23 -0.75 4.56 4.15 2f7tA1 TYR 285 HB2 0.07 -0.01 0.06 -0.04 3.06 3.13 2f7tA1 TYR 285 HB3 0.06 0.04 0.06 -0.04 2.98 3.10 2f7tA1 TYR 285 HD2 0.09 -0.04 -0.47 -0.04 7.15 6.70 2f7tA1 TYR 285 HE2 -0.04 0.02 -0.32 -0.04 6.85 6.47 2f7tA1 HIS 286 H -0.21 0.23 -0.47 -0.55 8.41 7.42 2f7tA1 HIS 286 HA 0.06 0.24 0.99 -0.75 4.63 5.15 2f7tA1 HIS 286 HB2 -0.09 0.03 -0.08 -0.04 3.26 3.08 2f7tA1 HIS 286 HB3 -0.16 0.11 0.14 -0.04 3.20 3.25 2f7tA1 HIS 286 HD2 -0.66 -0.03 -0.15 -0.04 6.97 6.08 2f7tA1 HIS 286 HE1 -0.33 -0.03 -0.03 -0.04 7.75 7.31 2f7tA1 LEU 287 H -0.06 0.41 0.09 -0.55 8.37 8.27 2f7tA1 LEU 287 HA 0.02 0.07 0.36 -0.75 4.35 4.04 2f7tA1 LEU 287 HB2 -0.80 -0.00 0.04 -0.04 1.64 0.83 2f7tA1 LEU 287 HB3 -0.47 0.11 0.17 -0.04 1.64 1.41 2f7tA1 LEU 287 HG 0.10 -0.01 -0.27 -0.04 1.64 1.41 2f7tA1 LEU 287 HD13 -0.04 0.00 -0.07 -0.04 0.93 0.78 2f7tA1 LEU 287 HD23 -0.60 -0.01 -0.12 -0.04 0.89 0.12 2f7tA1 PHE 288 H -0.13 0.79 0.09 -0.55 8.34 8.53 2f7tA1 PHE 288 HA -0.10 0.00 0.47 -0.75 4.62 4.24 2f7tA1 PHE 288 HB2 -0.03 0.09 0.14 -0.04 3.15 3.31 2f7tA1 PHE 288 HB3 -0.07 -0.04 0.03 -0.04 3.06 2.94 2f7tA1 PHE 288 HD2 -0.04 -0.03 -0.14 -0.04 7.28 7.02 2f7tA1 PHE 288 HE2 -0.02 -0.04 -0.24 -0.04 7.38 7.05 2f7tA1 PHE 288 HZ -0.07 0.11 -0.33 -0.04 7.32 6.99 2f7tA1 ALA 289 H 0.06 0.19 -0.52 -0.55 8.40 7.58 2f7tA1 ALA 289 HA -0.10 0.03 0.50 -0.75 4.34 4.01 2f7tA1 ALA 289 HB3 0.05 0.04 -0.06 -0.04 1.41 1.40 2f7tA1 SER 290 H 0.06 0.57 -0.12 -0.55 8.46 8.42 2f7tA1 SER 290 HA 0.18 0.03 0.58 -0.75 4.49 4.53 2f7tA1 SER 290 HB2 0.21 0.02 0.12 -0.04 3.95 4.26 2f7tA1 SER 290 HB3 0.44 0.11 0.13 -0.04 3.93 4.57 2f7tA1 MET 291 H 0.03 0.57 -0.15 -0.55 8.47 8.38 2f7tA1 MET 291 HA -0.77 0.01 0.40 -0.75 4.52 3.40 2f7tA1 MET 291 HB2 -0.45 0.17 0.11 -0.04 2.15 1.94 2f7tA1 MET 291 HB3 -0.19 0.03 0.04 -0.04 2.03 1.88 2f7tA1 MET 291 HG2 -0.38 -0.04 -0.14 -0.04 2.63 2.04 2f7tA1 MET 291 HG3 -1.42 -0.01 -0.03 -0.04 2.56 1.06 2f7tA1 MET 291 HE3 -0.22 -0.00 -0.11 -0.04 2.10 1.73 2f7tA1 GLY 292 H -0.17 0.57 -0.27 -0.55 8.43 8.01 2f7tA1 GLY 292 HA2 -0.17 -0.02 0.31 -0.51 4.01 3.62 2f7tA1 GLY 292 HA3 -0.20 0.10 0.31 -0.51 4.01 3.71 2f7tA1 HIS 293 H -0.27 0.36 -0.28 -0.55 8.41 7.67 2f7tA1 HIS 293 HA -0.01 0.03 0.49 -0.75 4.63 4.39 2f7tA1 HIS 293 HB2 0.07 0.16 0.13 -0.04 3.26 3.57 2f7tA1 HIS 293 HB3 0.04 -0.05 0.01 -0.04 3.20 3.17 2f7tA1 HIS 293 HD2 0.07 -0.03 0.01 -0.04 6.97 6.97 2f7tA1 HIS 293 HE1 0.01 -0.04 -0.02 -0.04 7.75 7.66 2f7tA1 ALA 294 H 0.13 0.34 -0.12 -0.55 8.40 8.20 2f7tA1 ALA 294 HA 0.16 0.01 0.43 -0.75 4.34 4.18 2f7tA1 ALA 294 HB3 0.35 0.03 0.08 -0.04 1.41 1.83 2f7tA1 LEU 295 H -0.15 0.54 -0.22 -0.55 8.37 8.00 2f7tA1 LEU 295 HA -0.69 -0.02 0.34 -0.75 4.35 3.21 2f7tA1 LEU 295 HB2 -0.23 0.12 0.08 -0.04 1.64 1.56 2f7tA1 LEU 295 HB3 -0.28 -0.04 -0.00 -0.04 1.64 1.28 2f7tA1 LEU 295 HG -0.48 0.09 -0.04 -0.04 1.64 1.17 2f7tA1 LEU 295 HD13 -0.22 -0.03 -0.10 -0.04 0.93 0.54 2f7tA1 LEU 295 HD23 -0.80 -0.03 -0.03 -0.04 0.89 -0.01 2f7tA1 ALA 296 H -0.08 0.37 -0.42 -0.55 8.40 7.72 2f7tA1 ALA 296 HA -0.10 0.01 0.45 -0.75 4.34 3.95 2f7tA1 ALA 296 HB3 -0.01 0.03 0.15 -0.04 1.41 1.54 2f7tA1 GLU 297 H -0.07 0.25 -0.15 -0.55 8.60 8.08 2f7tA1 GLU 297 HA -0.09 0.05 0.49 -0.75 4.29 3.98 2f7tA1 GLU 297 HB2 -0.03 0.15 0.07 -0.04 2.09 2.24 2f7tA1 GLU 297 HB3 -0.04 -0.08 0.14 -0.04 1.99 1.97 2f7tA1 GLU 297 HG2 -0.01 0.07 0.06 -0.04 2.34 2.43 2f7tA1 GLU 297 HG3 0.00 -0.05 0.04 -0.04 2.34 2.29 2f7tA1 GLN 298 H -0.33 0.52 -0.65 -0.55 8.47 7.47 2f7tA1 GLN 298 HA -0.42 0.12 0.88 -0.75 4.36 4.18 2f7tA1 GLN 298 HB2 -1.00 0.14 0.11 -0.04 2.15 1.35 2f7tA1 GLN 298 HB3 -1.81 -0.16 -0.01 -0.04 2.02 -0.01 2f7tA1 GLN 298 HG2 -0.54 0.17 -0.15 -0.04 2.40 1.85 2f7tA1 GLN 298 HG3 -1.53 -0.08 -0.08 -0.04 2.39 0.67 2f7tA1 GLN 298 HE21 0.12 -0.04 -0.06 -0.04 6.97 6.95 2f7tA1 GLN 298 HE22 0.14 0.07 -0.11 -0.04 7.69 7.74 2f7tA1 ARG 299 H -0.40 0.16 0.01 -0.55 8.46 7.67 2f7tA1 ARG 299 HA -0.20 0.21 0.68 -0.75 4.34 4.28 2f7tA1 ARG 299 HB2 -0.11 -0.06 0.19 -0.04 1.90 1.88 2f7tA1 ARG 299 HB3 -0.07 0.00 0.10 -0.04 1.80 1.79 2f7tA1 ARG 299 HG2 -0.15 0.03 -0.48 -0.04 1.67 1.03 2f7tA1 ARG 299 HG3 -0.08 -0.05 -0.04 -0.04 1.67 1.45 2f7tA1 ARG 299 HD2 -0.07 -0.08 0.03 -0.04 3.22 3.05 2f7tA1 ARG 299 HD3 -0.11 0.18 0.15 -0.04 3.22 3.40 2f7tA1 PHE 300 H -0.20 0.28 -0.00 -0.55 8.34 7.87 2f7tA1 PHE 300 HA -0.04 0.03 0.53 -0.75 4.62 4.38 2f7tA1 PHE 300 HB2 0.07 0.14 0.05 -0.04 3.15 3.37 2f7tA1 PHE 300 HB3 -0.06 -0.16 -0.04 -0.04 3.06 2.77 2f7tA1 PHE 300 HD2 -0.10 0.07 -0.06 -0.04 7.28 7.14 2f7tA1 PHE 300 HE2 -0.37 0.04 -0.08 -0.04 7.38 6.93 2f7tA1 PHE 300 HZ -1.52 0.04 -0.06 -0.04 7.32 5.74 2f7tA1 ASP 301 H 0.16 0.02 0.24 -0.55 8.40 8.28 2f7tA1 ASP 301 HA 0.13 0.39 0.64 -0.75 4.63 5.04 2f7tA1 ASP 301 HB2 0.06 0.09 0.14 -0.04 2.71 2.95 2f7tA1 ASP 301 HB3 0.05 -0.11 0.10 -0.04 2.70 2.70 2f7tA1 SER 302 H -0.11 0.13 0.06 -0.55 8.46 8.00 2f7tA1 SER 302 HA -0.49 0.23 0.70 -0.75 4.49 4.17 2f7tA1 SER 302 HB2 -0.09 0.04 0.09 -0.04 3.95 3.94 2f7tA1 SER 302 HB3 -0.05 0.23 -0.33 -0.04 3.93 3.74 2f7tA1 TYR 303 H -0.85 0.28 0.07 -0.55 8.29 7.24 2f7tA1 TYR 303 HA -0.41 0.11 0.48 -0.75 4.56 3.99 2f7tA1 TYR 303 HB2 -0.16 0.08 0.12 -0.04 3.06 3.06 2f7tA1 TYR 303 HB3 -0.16 -0.02 0.09 -0.04 2.98 2.86 2f7tA1 TYR 303 HD2 0.01 -0.00 -0.20 -0.04 7.15 6.92 2f7tA1 TYR 303 HE2 0.03 0.08 -0.38 -0.04 6.85 6.54 2f7tA1 GLU 304 H -0.01 0.10 -0.31 -0.55 8.60 7.84 2f7tA1 GLU 304 HA -0.04 0.15 0.37 -0.75 4.29 4.02 2f7tA1 GLU 304 HB2 0.04 0.06 -0.02 -0.04 2.09 2.12 2f7tA1 GLU 304 HB3 0.12 0.06 0.02 -0.04 1.99 2.15 2f7tA1 GLU 304 HG2 0.01 -0.10 0.01 -0.04 2.34 2.22 2f7tA1 GLU 304 HG3 0.04 0.09 -0.02 -0.04 2.34 2.40 2f7tA1 SER 305 H -0.10 0.14 -0.17 -0.55 8.46 7.79 2f7tA1 SER 305 HA 0.04 0.11 0.57 -0.75 4.49 4.46 2f7tA1 SER 305 HB2 0.04 -0.02 0.19 -0.04 3.95 4.12 2f7tA1 SER 305 HB3 0.23 0.08 0.08 -0.04 3.93 4.28 2f7tA1 VAL 306 H -0.41 0.42 -0.12 -0.55 8.24 7.58 2f7tA1 VAL 306 HA -1.27 0.05 0.29 -0.75 4.13 2.45 2f7tA1 VAL 306 HB -0.49 0.18 0.14 -0.04 2.12 1.91 2f7tA1 VAL 306 HG13 -0.41 0.00 -0.08 -0.04 0.97 0.45 2f7tA1 VAL 306 HG23 -0.58 0.05 -0.08 -0.04 0.95 0.30 2f7tA1 LYS 307 H -0.26 0.29 -0.36 -0.55 8.42 7.54 2f7tA1 LYS 307 HA -0.02 0.00 0.11 -0.75 4.32 3.66 2f7tA1 LYS 307 HB2 -0.27 0.07 0.09 -0.04 1.87 1.72 2f7tA1 LYS 307 HB3 -0.03 0.10 0.09 -0.04 1.79 1.91 2f7tA1 LYS 307 HG2 0.13 -0.03 0.01 -0.04 1.46 1.54 2f7tA1 LYS 307 HG3 0.00 -0.02 -0.01 -0.04 1.46 1.40 2f7tA1 LYS 307 HD2 0.07 -0.01 -0.04 -0.04 1.69 1.66 2f7tA1 LYS 307 HD3 0.08 0.03 -0.18 -0.04 1.68 1.56 2f7tA1 LYS 307 HE2 0.05 -0.01 -0.03 -0.04 2.99 2.96 2f7tA1 LYS 307 HE3 0.06 -0.00 -0.02 -0.04 2.99 2.98 2f7tA1 LYS 308 H -0.00 0.45 -0.18 -0.55 8.42 8.13 2f7tA1 LYS 308 HA 0.06 0.01 0.44 -0.75 4.32 4.07 2f7tA1 LYS 308 HB2 0.06 0.12 0.30 -0.04 1.87 2.31 2f7tA1 LYS 308 HB3 0.12 0.00 0.01 -0.04 1.79 1.88 2f7tA1 LYS 308 HG2 0.06 -0.01 0.04 -0.04 1.46 1.50 2f7tA1 LYS 308 HG3 0.05 -0.01 0.05 -0.04 1.46 1.50 2f7tA1 LYS 308 HD2 0.06 -0.04 -0.00 -0.04 1.69 1.67 2f7tA1 LYS 308 HD3 0.07 0.00 -0.01 -0.04 1.68 1.71 2f7tA1 LYS 308 HE2 0.04 0.01 -0.01 -0.04 2.99 2.99 2f7tA1 LYS 308 HE3 0.04 -0.03 -0.03 -0.04 2.99 2.94 2f7tA1 TRP 309 H 0.23 0.82 0.01 -0.55 7.97 8.48 2f7tA1 TRP 309 HA 0.06 -0.01 0.41 -0.75 4.62 4.32 2f7tA1 TRP 309 HB2 0.23 -0.02 0.06 -0.04 3.23 3.46 2f7tA1 TRP 309 HB3 -0.11 0.12 0.12 -0.04 3.23 3.32 2f7tA1 TRP 309 HD1 0.12 -0.02 -0.02 -0.04 7.22 7.26 2f7tA1 TRP 309 HE1 0.04 0.04 -0.08 -0.04 10.20 10.17 2f7tA1 TRP 309 HE3 -0.23 0.05 -0.23 -0.04 7.59 7.14 2f7tA1 TRP 309 HZ2 -0.22 -0.00 -0.19 -0.04 7.44 6.99 2f7tA1 TRP 309 HZ3 -0.64 -0.02 -0.10 -0.04 7.13 6.33 2f7tA1 TRP 309 HH2 -1.10 0.05 -0.04 -0.04 7.19 6.05 2f7tA1 LEU 310 H 0.12 0.65 -0.18 -0.55 8.37 8.41 2f7tA1 LEU 310 HA -0.41 -0.02 0.30 -0.75 4.35 3.46 2f7tA1 LEU 310 HB2 -0.04 0.15 0.07 -0.04 1.64 1.78 2f7tA1 LEU 310 HB3 -0.21 0.01 -0.06 -0.04 1.64 1.33 2f7tA1 LEU 310 HG -0.41 -0.03 -0.08 -0.04 1.64 1.07 2f7tA1 LEU 310 HD13 -0.15 -0.01 -0.06 -0.04 0.93 0.67 2f7tA1 LEU 310 HD23 -0.09 -0.00 -0.17 -0.04 0.89 0.59 2f7tA1 ASP 311 H 0.04 0.59 -0.07 -0.55 8.40 8.42 2f7tA1 ASP 311 HA 0.21 -0.01 0.36 -0.75 4.63 4.43 2f7tA1 ASP 311 HB2 0.07 0.08 0.15 -0.04 2.71 2.98 2f7tA1 ASP 311 HB3 0.10 -0.03 0.01 -0.04 2.70 2.73 2f7tA1 GLU 312 H -0.09 0.49 -0.16 -0.55 8.60 8.29 2f7tA1 GLU 312 HA -0.07 0.03 0.41 -0.75 4.29 3.90 2f7tA1 GLU 312 HB2 -0.24 0.05 0.04 -0.04 2.09 1.89 2f7tA1 GLU 312 HB3 -0.10 -0.05 0.04 -0.04 1.99 1.84 2f7tA1 GLU 312 HG2 -0.03 -0.04 0.11 -0.04 2.34 2.33 2f7tA1 GLU 312 HG3 -0.06 0.06 0.04 -0.04 2.34 2.34 2f7tA1 TRP 313 H -0.42 0.70 -0.03 -0.55 7.97 7.67 2f7tA1 TRP 313 HA -0.54 -0.00 0.40 -0.75 4.62 3.73 2f7tA1 TRP 313 HB2 -1.93 0.06 0.08 -0.04 3.23 1.40 2f7tA1 TRP 313 HB3 -1.18 0.02 0.11 -0.04 3.23 2.15 2f7tA1 TRP 313 HD1 -0.48 -0.00 -0.02 -0.04 7.22 6.67 2f7tA1 TRP 313 HE1 -0.10 0.01 -0.06 -0.04 10.20 10.01 2f7tA1 TRP 313 HE3 -0.78 0.04 -0.21 -0.04 7.59 6.60 2f7tA1 TRP 313 HZ2 -0.15 0.00 -0.33 -0.04 7.44 6.92 2f7tA1 TRP 313 HZ3 0.13 -0.04 -0.10 -0.04 7.13 7.07 2f7tA1 TRP 313 HH2 -0.03 0.07 -0.02 -0.04 7.19 7.16 2f7tA1 PHE 314 H -0.20 0.69 -0.01 -0.55 8.34 8.27 2f7tA1 PHE 314 HA -0.16 -0.05 0.37 -0.75 4.62 4.03 2f7tA1 PHE 314 HB2 0.02 0.13 0.06 -0.04 3.15 3.31 2f7tA1 PHE 314 HB3 0.05 -0.07 0.00 -0.04 3.06 3.00 2f7tA1 PHE 314 HD2 0.09 0.01 -0.10 -0.04 7.28 7.24 2f7tA1 PHE 314 HE2 -0.46 -0.04 -0.12 -0.04 7.38 6.73 2f7tA1 PHE 314 HZ -0.13 -0.05 -0.11 -0.04 7.32 6.99 2f7tA1 ALA 315 H -0.03 0.32 -0.49 -0.55 8.40 7.65 2f7tA1 ALA 315 HA 0.03 0.07 0.48 -0.75 4.34 4.17 2f7tA1 ALA 315 HB3 -0.00 -0.02 0.09 -0.04 1.41 1.44 2f7tA1 ALA 316 H -0.25 0.53 -0.02 -0.55 8.40 8.11 2f7tA1 ALA 316 HA -0.15 0.01 0.45 -0.75 4.34 3.89 2f7tA1 ALA 316 HB3 -0.27 -0.02 0.09 -0.04 1.41 1.16 2f7tA1 LYS 317 H -0.43 0.29 -0.44 -0.55 8.42 7.29 2f7tA1 LYS 317 HA -0.54 -0.05 0.68 -0.75 4.32 3.65 2f7tA1 LYS 317 HB2 -0.40 0.15 0.09 -0.04 1.87 1.66 2f7tA1 LYS 317 HB3 -0.91 -0.08 0.01 -0.04 1.79 0.77 2f7tA1 LYS 317 HG2 -1.40 0.21 0.01 -0.04 1.46 0.23 2f7tA1 LYS 317 HG3 -1.65 -0.07 -0.03 -0.04 1.46 -0.33 2f7tA1 LYS 317 HD2 -2.10 -0.07 0.01 -0.04 1.69 -0.52 2f7tA1 LYS 317 HD3 -1.02 0.01 -0.05 -0.04 1.68 0.58 2f7tA1 LYS 317 HE2 -2.59 0.04 -0.09 -0.04 2.99 0.30 2f7tA1 LYS 317 HE3 -1.73 -0.03 -0.07 -0.04 2.99 1.11 2f7tA1 ASP 318 H -0.18 0.10 0.19 -0.55 8.40 7.97 2f7tA1 ASP 318 HA 0.01 0.15 0.63 -0.75 4.63 4.66 2f7tA1 ASP 318 HB2 -0.05 0.12 0.20 -0.04 2.71 2.95 2f7tA1 ASP 318 HB3 0.06 -0.31 0.02 -0.04 2.70 2.43 2f7tA1 ASP 319 H 0.08 0.19 0.19 -0.55 8.40 8.33 2f7tA1 ASP 319 HA 0.31 0.21 0.36 -0.75 4.63 4.76 2f7tA1 ASP 319 HB2 0.06 -0.09 0.16 -0.04 2.71 2.80 2f7tA1 ASP 319 HB3 0.12 0.03 -0.01 -0.04 2.70 2.80 2f7tA1 GLU 320 H 0.10 0.04 -0.30 -0.55 8.60 7.90 2f7tA1 GLU 320 HA 0.16 0.10 0.36 -0.75 4.29 4.16 2f7tA1 GLU 320 HB2 0.03 -0.01 0.06 -0.04 2.09 2.13 2f7tA1 GLU 320 HB3 0.02 0.04 0.03 -0.04 1.99 2.05 2f7tA1 GLU 320 HG2 -0.14 0.04 0.02 -0.04 2.34 2.22 2f7tA1 GLU 320 HG3 -0.19 0.04 -0.00 -0.04 2.34 2.15 2f7tA1 PHE 321 H 0.21 0.17 -0.36 -0.55 8.34 7.81 2f7tA1 PHE 321 HA 0.08 0.05 0.50 -0.75 4.62 4.49 2f7tA1 PHE 321 HB2 -0.16 -0.07 0.09 -0.04 3.15 2.97 2f7tA1 PHE 321 HB3 -0.35 0.34 0.05 -0.04 3.06 3.06 2f7tA1 PHE 321 HD2 -0.84 0.02 -0.11 -0.04 7.28 6.32 2f7tA1 PHE 321 HE2 -0.45 -0.00 -0.08 -0.04 7.38 6.81 2f7tA1 PHE 321 HZ -0.28 0.04 -0.08 -0.04 7.32 6.95 2f7tA1 TYR 322 H 0.28 0.42 -0.26 -0.55 8.29 8.18 2f7tA1 TYR 322 HA 0.06 -0.01 0.31 -0.75 4.56 4.17 2f7tA1 TYR 322 HB2 0.26 0.31 -0.11 -0.04 3.06 3.48 2f7tA1 TYR 322 HB3 0.41 0.09 -0.04 -0.04 2.98 3.39 2f7tA1 TYR 322 HD2 0.01 0.05 -0.11 -0.04 7.15 7.05 2f7tA1 TYR 322 HE2 -0.07 0.11 -0.07 -0.04 6.85 6.79 2f7tA1 TRP 323 H 0.43 0.29 -0.20 -0.55 7.97 7.95 2f7tA1 TRP 323 HA 0.19 -0.02 0.39 -0.75 4.62 4.42 2f7tA1 TRP 323 HB2 0.08 0.20 0.15 -0.04 3.23 3.61 2f7tA1 TRP 323 HB3 0.03 0.03 0.15 -0.04 3.23 3.40 2f7tA1 TRP 323 HD1 -0.02 0.03 0.00 -0.04 7.22 7.20 2f7tA1 TRP 323 HE1 -0.45 -0.01 -0.01 -0.04 10.20 9.69 2f7tA1 TRP 323 HE3 -0.04 0.08 -0.26 -0.04 7.59 7.33 2f7tA1 TRP 323 HZ2 -0.44 0.00 -0.01 -0.04 7.44 6.96 2f7tA1 TRP 323 HZ3 -0.05 0.01 -0.06 -0.04 7.13 6.98 2f7tA1 TRP 323 HH2 -0.11 0.01 -0.02 -0.04 7.19 7.04 2f7tA1 ARG 324 H 0.22 0.44 -0.31 -0.55 8.46 8.26 2f7tA1 ARG 324 HA 0.10 0.01 0.23 -0.75 4.34 3.93 2f7tA1 ARG 324 HB2 0.17 0.22 0.17 -0.04 1.90 2.42 2f7tA1 ARG 324 HB3 -0.02 0.04 -0.02 -0.04 1.80 1.76 2f7tA1 ARG 324 HG2 0.10 -0.03 -0.02 -0.04 1.67 1.68 2f7tA1 ARG 324 HG3 0.29 -0.03 -0.00 -0.04 1.67 1.89 2f7tA1 ARG 324 HD2 0.12 -0.00 -0.04 -0.04 3.22 3.26 2f7tA1 ARG 324 HD3 0.13 -0.03 -0.03 -0.04 3.22 3.26 2f7tA1 GLY 325 H -0.47 0.39 -0.32 -0.55 8.43 7.48 2f7tA1 GLY 325 HA2 -0.88 0.00 0.26 -0.51 4.01 2.88 2f7tA1 GLY 325 HA3 -0.74 0.04 0.23 -0.51 4.01 3.02 2f7tA1 ILE 326 H -0.12 0.43 -0.26 -0.55 8.25 7.74 2f7tA1 ILE 326 HA -0.33 0.03 0.49 -0.75 4.18 3.62 2f7tA1 ILE 326 HB -0.29 0.09 0.12 -0.04 1.89 1.77 2f7tA1 ILE 326 HG12 -0.07 0.15 -0.07 -0.04 1.49 1.46 2f7tA1 ILE 326 HG13 -0.18 -0.11 -0.14 -0.04 1.21 0.74 2f7tA1 ILE 326 HG23 -0.51 0.00 -0.07 -0.04 0.93 0.31 2f7tA1 ILE 326 HD13 -0.77 -0.00 -0.11 -0.04 0.88 -0.04 2f7tA1 HIS 327 H -0.43 0.69 -0.02 -0.55 8.41 8.10 2f7tA1 HIS 327 HA -0.57 0.01 0.53 -0.75 4.63 3.85 2f7tA1 HIS 327 HB2 -1.57 0.10 0.08 -0.04 3.26 1.84 2f7tA1 HIS 327 HB3 -0.83 -0.06 0.14 -0.04 3.20 2.41 2f7tA1 HIS 327 HD2 -1.36 0.18 0.13 -0.04 6.97 5.87 2f7tA1 HIS 327 HE1 -0.03 -0.05 -0.03 -0.04 7.75 7.60 2f7tA1 LYS 328 H -0.25 0.44 -0.46 -0.55 8.42 7.59 2f7tA1 LYS 328 HA -0.22 0.05 0.69 -0.75 4.32 4.09 2f7tA1 LYS 328 HB2 -0.04 0.18 -0.03 -0.04 1.87 1.94 2f7tA1 LYS 328 HB3 -0.21 -0.11 0.05 -0.04 1.79 1.48 2f7tA1 LYS 328 HG2 -0.05 -0.08 -0.01 -0.04 1.46 1.28 2f7tA1 LYS 328 HG3 -0.07 0.27 -0.05 -0.04 1.46 1.56 2f7tA1 LYS 328 HD2 0.26 0.03 -0.08 -0.04 1.69 1.86 2f7tA1 LYS 328 HD3 0.03 -0.05 -0.05 -0.04 1.68 1.57 2f7tA1 LYS 328 HE2 0.13 -0.04 -0.09 -0.04 2.99 2.95 2f7tA1 LYS 328 HE3 0.12 -0.02 -0.20 -0.04 2.99 2.84 2f7tA1 LEU 329 H -0.53 0.46 -0.29 -0.55 8.37 7.46 2f7tA1 LEU 329 HA -0.69 0.03 0.31 -0.75 4.35 3.24 2f7tA1 LEU 329 HB2 -0.95 0.11 0.18 -0.04 1.64 0.93 2f7tA1 LEU 329 HB3 -2.17 -0.07 -0.02 -0.04 1.64 -0.67 2f7tA1 LEU 329 HG -0.26 0.04 0.08 -0.04 1.64 1.46 2f7tA1 LEU 329 HD13 -0.19 0.00 0.08 -0.04 0.93 0.78 2f7tA1 LEU 329 HD23 -0.05 -0.03 0.02 -0.04 0.89 0.79 2f7tA1 PRO 330 HA -0.41 0.04 0.41 -0.51 4.44 3.97 2f7tA1 PRO 330 HB2 -0.41 0.04 0.02 -0.04 2.28 1.89 2f7tA1 PRO 330 HB3 -0.54 0.05 0.05 -0.04 2.02 1.54 2f7tA1 PRO 330 HG2 -1.22 0.07 0.06 -0.04 2.03 0.89 2f7tA1 PRO 330 HG3 -1.31 0.02 0.04 -0.04 2.03 0.74 2f7tA1 PRO 330 HD2 -0.60 0.31 -0.10 -0.04 3.68 3.25 2f7tA1 PRO 330 HD3 -0.92 0.10 0.09 -0.04 3.65 2.87 2f7tA1 GLU 331 H -0.34 0.24 -0.25 -0.55 8.60 7.71 2f7tA1 GLU 331 HA -0.14 0.02 0.44 -0.75 4.29 3.86 2f7tA1 GLU 331 HB2 -0.15 -0.00 0.10 -0.04 2.09 2.00 2f7tA1 GLU 331 HB3 -0.22 0.21 0.11 -0.04 1.99 2.05 2f7tA1 GLU 331 HG2 -0.14 -0.00 -0.17 -0.04 2.34 1.99 2f7tA1 GLU 331 HG3 -0.10 -0.03 0.03 -0.04 2.34 2.19 2f7tA1 ARG 332 H -0.39 0.46 -0.19 -0.55 8.46 7.79 2f7tA1 ARG 332 HA -0.37 0.01 0.48 -0.75 4.34 3.70 2f7tA1 ARG 332 HB2 -0.38 0.12 0.15 -0.04 1.90 1.75 2f7tA1 ARG 332 HB3 0.02 0.01 0.03 -0.04 1.80 1.82 2f7tA1 ARG 332 HG2 -0.14 -0.08 -0.01 -0.04 1.67 1.40 2f7tA1 ARG 332 HG3 -0.35 0.12 0.05 -0.04 1.67 1.44 2f7tA1 ARG 332 HD2 -1.02 -0.01 -0.14 -0.04 3.22 2.01 2f7tA1 ARG 332 HD3 -0.71 0.23 0.03 -0.04 3.22 2.72 2f7tA1 TRP 333 H -0.34 0.65 0.03 -0.55 7.97 7.76 2f7tA1 TRP 333 HA -0.04 -0.01 0.42 -0.75 4.62 4.25 2f7tA1 TRP 333 HB2 -0.09 0.10 0.15 -0.04 3.23 3.35 2f7tA1 TRP 333 HB3 -0.02 0.02 0.09 -0.04 3.23 3.28 2f7tA1 TRP 333 HD1 0.04 -0.05 -0.03 -0.04 7.22 7.14 2f7tA1 TRP 333 HE1 0.07 0.05 0.01 -0.04 10.20 10.29 2f7tA1 TRP 333 HE3 -0.13 0.00 -0.12 -0.04 7.59 7.30 2f7tA1 TRP 333 HZ2 0.04 0.03 -0.01 -0.04 7.44 7.45 2f7tA1 TRP 333 HZ3 -0.32 0.00 -0.09 -0.04 7.13 6.68 2f7tA1 TRP 333 HH2 -0.20 -0.02 -0.04 -0.04 7.19 6.89 2f7tA1 GLU 334 H -0.03 0.46 -0.40 -0.55 8.60 8.09 2f7tA1 GLU 334 HA 0.03 0.02 0.41 -0.75 4.29 4.00 2f7tA1 GLU 334 HB2 -0.00 0.19 0.13 -0.04 2.09 2.36 2f7tA1 GLU 334 HB3 -0.06 0.05 0.09 -0.04 1.99 2.03 2f7tA1 GLU 334 HG2 -0.00 -0.04 0.00 -0.04 2.34 2.26 2f7tA1 GLU 334 HG3 0.04 -0.02 0.03 -0.04 2.34 2.34 2f7tA1 LYS 335 H -0.26 0.70 0.07 -0.55 8.42 8.37 2f7tA1 LYS 335 HA -0.21 0.01 0.58 -0.75 4.32 3.94 2f7tA1 LYS 335 HB2 -1.16 0.10 0.11 -0.04 1.87 0.88 2f7tA1 LYS 335 HB3 -0.90 -0.08 -0.03 -0.04 1.79 0.75 2f7tA1 LYS 335 HG2 -0.19 -0.04 0.04 -0.04 1.46 1.23 2f7tA1 LYS 335 HG3 -0.25 0.13 0.12 -0.04 1.46 1.42 2f7tA1 LYS 335 HD2 -0.25 -0.01 -0.13 -0.04 1.69 1.26 2f7tA1 LYS 335 HD3 -0.18 -0.03 -0.06 -0.04 1.68 1.37 2f7tA1 LYS 335 HE2 -0.05 0.01 -0.02 -0.04 2.99 2.89 2f7tA1 LYS 335 HE3 -0.08 -0.04 -0.03 -0.04 2.99 2.80 2f7tA1 CYS 336 H -0.25 0.43 -0.45 -0.55 8.50 7.68 2f7tA1 CYS 336 HA 0.10 0.12 0.33 -0.75 4.58 4.37 2f7tA1 CYS 336 HB2 0.21 0.06 0.01 -0.04 2.97 3.21 2f7tA1 CYS 336 HB3 0.12 0.10 0.11 -0.04 2.97 3.26 2f7tA1 VAL 337 H 0.02 0.66 -0.01 -0.55 8.24 8.36 2f7tA1 VAL 337 HA 0.02 -0.01 0.62 -0.75 4.13 4.00 2f7tA1 VAL 337 HB 0.02 0.12 0.21 -0.04 2.12 2.42 2f7tA1 VAL 337 HG13 0.02 -0.02 -0.07 -0.04 0.97 0.85 2f7tA1 VAL 337 HG23 0.04 0.08 0.02 -0.04 0.95 1.06 2f7tA1 ALA 338 H -0.03 0.64 -0.12 -0.55 8.40 8.35 2f7tA1 ALA 338 HA 0.01 0.01 0.30 -0.75 4.34 3.90 2f7tA1 ALA 338 HB3 -0.02 -0.00 0.10 -0.04 1.41 1.44 2f7tA1 SER 339 H 0.01 0.46 -0.32 -0.55 8.46 8.07 2f7tA1 SER 339 HA 0.05 0.08 0.75 -0.75 4.49 4.62 2f7tA1 SER 339 HB2 0.13 0.11 -0.01 -0.04 3.95 4.14 2f7tA1 SER 339 HB3 0.11 -0.11 0.07 -0.04 3.93 3.95 2f7tA1 ASP 340 H 0.03 0.65 -0.41 -0.55 8.40 8.12 2f7tA1 ASP 340 HA 0.02 0.04 0.39 -0.75 4.63 4.32 2f7tA1 ASP 340 HB2 0.02 0.16 -0.16 -0.04 2.71 2.70 2f7tA1 ASP 340 HB3 0.01 -0.11 0.22 -0.04 2.70 2.78 2f7tA1 GLY 341 H 0.05 0.74 -0.06 -0.55 8.43 8.62 2f7tA1 GLY 341 HA2 0.04 -0.10 0.26 -0.51 4.01 3.70 2f7tA1 GLY 341 HA3 0.01 0.17 0.60 -0.51 4.01 4.29 2f7tA1 LYS 342 H 0.04 0.37 -0.49 -0.55 8.42 7.80 2f7tA1 LYS 342 HA -0.09 -0.03 0.55 -0.75 4.32 4.00 2f7tA1 LYS 342 HB2 0.07 0.07 0.06 -0.04 1.87 2.03 2f7tA1 LYS 342 HB3 0.05 -0.03 0.15 -0.04 1.79 1.92 2f7tA1 LYS 342 HG2 -0.01 -0.10 0.02 -0.04 1.46 1.34 2f7tA1 LYS 342 HG3 0.02 0.18 0.04 -0.04 1.46 1.66 2f7tA1 LYS 342 HD2 0.03 -0.05 0.05 -0.04 1.69 1.68 2f7tA1 LYS 342 HD3 0.02 -0.06 0.02 -0.04 1.68 1.62 2f7tA1 LYS 342 HE2 0.06 0.03 0.04 -0.04 2.99 3.08 2f7tA1 LYS 342 HE3 0.04 -0.08 0.02 -0.04 2.99 2.93 2f7tA1 TYR 343 H -0.13 0.03 0.16 -0.55 8.29 7.79 2f7tA1 TYR 343 HA -0.10 0.04 0.54 -0.75 4.56 4.28 2f7tA1 TYR 343 HB2 -0.01 -0.02 0.07 -0.04 3.06 3.06 2f7tA1 TYR 343 HB3 -0.11 0.02 0.06 -0.04 2.98 2.91 2f7tA1 TYR 343 HD2 -0.05 -0.00 0.06 -0.04 7.15 7.11 2f7tA1 TYR 343 HE2 0.05 0.20 0.09 -0.04 6.85 7.15 2f7tA1 PHE 344 H -0.47 0.15 0.13 -0.55 8.34 7.60 2f7tA1 PHE 344 HA 0.08 0.21 0.82 -0.75 4.62 4.98 2f7tA1 PHE 344 HB2 0.04 -0.04 0.03 -0.04 3.15 3.14 2f7tA1 PHE 344 HB3 0.06 0.17 -0.33 -0.04 3.06 2.92 2f7tA1 PHE 344 HD2 0.05 0.09 -0.28 -0.04 7.28 7.10 2f7tA1 PHE 344 HE2 0.02 -0.01 -0.10 -0.04 7.38 7.24 2f7tA1 PHE 344 HZ -0.04 0.09 -0.05 -0.04 7.32 7.28 2f7tA1 GLU 345 H 0.27 0.24 0.02 -0.55 8.60 8.59 2f7tA1 GLU 345 HA 0.10 0.23 0.65 -0.75 4.29 4.53 2f7tA1 GLU 345 HB2 0.09 0.02 -0.09 -0.04 2.09 2.07 2f7tA1 GLU 345 HB3 0.10 0.01 0.06 -0.04 1.99 2.12 2f7tA1 GLU 345 HG2 0.07 0.01 0.04 -0.04 2.34 2.41 2f7tA1 GLU 345 HG3 0.05 0.02 0.01 -0.04 2.34 2.38