============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 7 0.900 35.392 32.185 -21.798 -99.200 -91.000 HIS 11 0.900 43.436 34.100 -17.680 -99.200 -91.000 TYR 16 0.840 23.379 48.102 -7.548 -99.200 -91.000 TYR 17 0.840 20.479 45.215 -11.082 -99.200 -91.000 PHE 32 1.000 28.505 31.940 -19.120 -99.200 -91.000 HIS 39 0.900 25.036 26.878 -17.005 -99.200 -91.000 HIS 48 0.900 40.207 43.438 -24.533 -99.200 -91.000 TRP 53 1.040 46.016 40.251 -18.468 -99.200 -91.000 TRP6 53 1.020 46.385 37.912 -18.636 -99.200 -91.000 TRP 57 1.040 29.285 42.886 -14.372 -99.200 -91.000 TRP6 57 1.020 27.911 42.819 -16.294 -99.200 -91.000 HIS 59 0.900 24.595 52.947 -9.861 -99.200 -91.000 PHE 62 1.000 27.093 56.090 -13.809 -99.200 -91.000 TYR 71 0.840 50.778 40.104 -23.216 -99.200 -91.000 TRP 77 1.040 33.379 44.711 -23.890 -99.200 -91.000 TRP6 77 1.020 33.504 43.604 -25.981 -99.200 -91.000 TRP 84 1.040 26.065 42.368 -23.894 -99.200 -91.000 TRP6 84 1.020 26.864 43.559 -22.016 -99.200 -91.000 HIS 90 0.900 42.221 54.805 -21.217 -99.200 -91.000 HIS 93 0.900 47.968 52.630 -18.843 -99.200 -91.000 TRP 102 1.040 32.899 50.161 -14.625 -99.200 -91.000 TRP6 102 1.020 33.001 52.017 -16.086 -99.200 -91.000 HIS 105 0.900 26.393 55.353 -6.635 -99.200 -91.000 TYR 107 0.840 34.494 58.779 -6.104 -99.200 -91.000 PHE 124 1.000 34.016 56.092 -20.320 -99.200 -91.000 HIS 138 0.900 52.965 50.690 -7.350 -99.200 -91.000 TRP 147 1.040 37.966 53.803 -8.320 -99.200 -91.000 TRP6 147 1.020 38.640 56.036 -8.730 -99.200 -91.000 PHE 155 1.000 44.326 55.946 -7.707 -99.200 -91.000 TRP 167 1.040 48.548 56.216 -5.858 -99.200 -91.000 TRP6 167 1.020 50.350 57.381 -6.846 -99.200 -91.000 TYR 169 0.840 41.787 65.838 -8.546 -99.200 -91.000 TYR 176 0.840 42.784 60.486 -8.104 -99.200 -91.000 HIS 185 0.900 52.547 42.097 0.785 -99.200 -91.000 TRP 188 1.040 57.228 40.897 -8.808 -99.200 -91.000 TRP6 188 1.020 56.995 39.502 -10.700 -99.200 -91.000 TRP 194 1.040 39.945 51.824 1.098 -99.200 -91.000 TRP6 194 1.020 41.555 53.509 0.677 -99.200 -91.000 TYR 203 0.840 38.810 47.184 9.007 -99.200 -91.000 TRP 215 1.040 48.428 47.153 3.899 -99.200 -91.000 TRP6 215 1.020 50.599 47.819 4.585 -99.200 -91.000 TRP 224 1.040 47.114 54.038 5.381 -99.200 -91.000 TRP6 224 1.020 44.998 53.016 5.106 -99.200 -91.000 PHE 234 1.000 47.042 32.296 3.346 -99.200 -91.000 TRP 239 1.040 47.681 33.757 -7.818 -99.200 -91.000 TRP6 239 1.020 49.216 34.647 -9.375 -99.200 -91.000 TRP 243 1.040 38.189 44.282 1.695 -99.200 -91.000 TRP6 243 1.020 38.660 43.501 3.879 -99.200 -91.000 TRP 262 1.040 40.975 34.418 5.502 -99.200 -91.000 TRP6 262 1.020 42.351 33.149 6.940 -99.200 -91.000 TRP 270 1.040 42.055 40.348 9.923 -99.200 -91.000 TRP6 270 1.020 40.082 41.118 8.871 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2pm7B1 VAL 2 HA 0.02 -0.11 0.23 -0.75 4.13 3.51 2pm7B1 VAL 2 HB 0.00 -0.03 0.07 -0.04 2.12 2.12 2pm7B1 VAL 2 HG13 0.02 -0.03 -0.22 -0.04 0.97 0.71 2pm7B1 VAL 2 HG23 0.02 -0.00 0.15 -0.04 0.95 1.07 2pm7B1 VAL 3 H 0.01 0.14 0.10 -0.55 8.24 7.94 2pm7B1 VAL 3 HA -0.07 0.24 0.85 -0.75 4.13 4.39 2pm7B1 VAL 3 HB -0.01 -0.03 0.01 -0.04 2.12 2.04 2pm7B1 VAL 3 HG13 -0.05 -0.04 -0.06 -0.04 0.97 0.78 2pm7B1 VAL 3 HG23 -0.02 0.03 -0.16 -0.04 0.95 0.76 2pm7B1 ILE 4 H -0.16 0.18 -0.10 -0.55 8.25 7.63 2pm7B1 ILE 4 HA -0.48 0.17 0.66 -0.75 4.18 3.77 2pm7B1 ILE 4 HB -0.42 -0.01 0.02 -0.04 1.89 1.44 2pm7B1 ILE 4 HG12 -0.99 0.06 -0.21 -0.04 1.49 0.31 2pm7B1 ILE 4 HG13 -0.29 -0.02 -0.64 -0.04 1.21 0.23 2pm7B1 ILE 4 HG23 -0.62 -0.00 -0.09 -0.04 0.93 0.18 2pm7B1 ILE 4 HD13 -0.25 0.00 -0.18 -0.04 0.88 0.40 2pm7B1 ALA 5 H -0.06 0.10 -0.14 -0.55 8.40 7.76 2pm7B1 ALA 5 HA -0.06 0.02 0.36 -0.75 4.34 3.91 2pm7B1 ALA 5 HB3 -0.01 0.01 0.03 -0.04 1.41 1.40 2pm7B1 ASN 6 H -0.02 0.09 0.14 -0.55 8.53 8.18 2pm7B1 ASN 6 HA -0.00 0.08 0.37 -0.75 4.76 4.46 2pm7B1 ASN 6 HB2 0.02 0.12 -0.14 -0.04 2.88 2.84 2pm7B1 ASN 6 HB3 0.01 -0.00 0.09 -0.04 2.79 2.85 2pm7B1 ASN 6 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.93 2pm7B1 ASN 6 HD22 0.01 0.04 -0.19 -0.04 7.74 7.56 2pm7B1 ALA 7 H -0.04 0.06 -0.03 -0.55 8.40 7.85 2pm7B1 ALA 7 HA 0.08 0.13 0.53 -0.75 4.34 4.32 2pm7B1 ALA 7 HB3 -0.19 0.03 0.01 -0.04 1.41 1.22 2pm7B1 HIS 8 H 0.04 0.16 0.01 -0.55 8.41 8.07 2pm7B1 HIS 8 HA -0.00 0.15 0.60 -0.75 4.63 4.62 2pm7B1 HIS 8 HB2 -0.06 0.10 -0.07 -0.04 3.26 3.19 2pm7B1 HIS 8 HB3 -0.06 -0.17 0.08 -0.04 3.20 3.01 2pm7B1 HIS 8 HD2 -0.05 0.04 -0.15 -0.04 6.97 6.76 2pm7B1 HIS 8 HE1 -0.06 -0.04 -0.29 -0.04 7.75 7.31 2pm7B1 ASN 9 H 0.09 0.08 0.11 -0.55 8.53 8.27 2pm7B1 ASN 9 HA 0.02 0.21 0.80 -0.75 4.76 5.03 2pm7B1 ASN 9 HB2 0.02 -0.03 0.05 -0.04 2.88 2.88 2pm7B1 ASN 9 HB3 0.01 0.02 0.04 -0.04 2.79 2.82 2pm7B1 ASN 9 HD21 0.01 0.05 -0.09 -0.04 7.03 6.96 2pm7B1 ASN 9 HD22 0.02 -0.02 -0.03 -0.04 7.74 7.67 2pm7B1 GLU 10 H -0.00 -0.00 0.00 -0.55 8.60 8.05 2pm7B1 GLU 10 HA -0.04 0.28 0.65 -0.75 4.29 4.43 2pm7B1 GLU 10 HB2 -0.10 -0.22 0.13 -0.04 2.09 1.86 2pm7B1 GLU 10 HB3 -0.08 0.03 0.10 -0.04 1.99 1.99 2pm7B1 GLU 10 HG2 -0.03 -0.03 -0.18 -0.04 2.34 2.06 2pm7B1 GLU 10 HG3 -0.05 0.03 -0.10 -0.04 2.34 2.18 2pm7B1 ILE 12 HA -0.35 -0.10 0.44 -0.75 4.18 3.42 2pm7B1 ILE 12 HB -0.07 0.00 0.03 -0.04 1.89 1.81 2pm7B1 ILE 12 HG12 0.09 -0.05 0.01 -0.04 1.49 1.50 2pm7B1 ILE 12 HG13 -0.04 -0.02 -0.35 -0.04 1.21 0.77 2pm7B1 ILE 12 HG23 -0.02 -0.05 0.08 -0.04 0.93 0.90 2pm7B1 ILE 12 HD13 0.00 -0.03 -0.04 -0.04 0.88 0.77 2pm7B1 HIS 13 H -0.14 0.74 0.49 -0.55 8.41 8.95 2pm7B1 HIS 13 HA -0.01 0.20 1.10 -0.75 4.63 5.17 2pm7B1 HIS 13 HB2 0.13 0.18 0.09 -0.04 3.26 3.62 2pm7B1 HIS 13 HB3 0.19 0.01 0.21 -0.04 3.20 3.57 2pm7B1 HIS 13 HD2 -0.08 0.13 -0.19 -0.04 6.97 6.78 2pm7B1 HIS 13 HE1 0.06 -0.02 -0.04 -0.04 7.75 7.71 2pm7B1 ASP 14 H 0.03 0.18 0.23 -0.55 8.40 8.30 2pm7B1 ASP 14 HA 0.06 0.10 0.61 -0.75 4.63 4.64 2pm7B1 ASP 14 HB2 0.11 0.31 -0.37 -0.04 2.71 2.73 2pm7B1 ASP 14 HB3 0.06 -0.13 -0.13 -0.04 2.70 2.46 2pm7B1 ALA 15 H 0.06 0.26 0.09 -0.55 8.40 8.26 2pm7B1 ALA 15 HA 0.05 0.47 0.94 -0.75 4.34 5.05 2pm7B1 ALA 15 HB3 -0.00 -0.02 0.02 -0.04 1.41 1.37 2pm7B1 VAL 16 H 0.18 0.69 0.20 -0.55 8.24 8.77 2pm7B1 VAL 16 HA 0.19 0.21 0.86 -0.75 4.13 4.63 2pm7B1 VAL 16 HB 0.26 -0.03 0.01 -0.04 2.12 2.33 2pm7B1 VAL 16 HG13 0.43 -0.00 0.09 -0.04 0.97 1.44 2pm7B1 VAL 16 HG23 0.14 0.02 -0.15 -0.04 0.95 0.92 2pm7B1 ASP 18 HA -0.62 0.04 0.17 -0.75 4.63 3.47 2pm7B1 ASP 18 HB2 -0.40 -0.12 0.23 -0.04 2.71 2.38 2pm7B1 ASP 18 HB3 -2.20 0.11 0.18 -0.04 2.70 0.75 2pm7B1 TYR 19 H -0.07 0.19 0.16 -0.55 8.29 8.02 2pm7B1 TYR 19 HA -0.23 0.10 0.38 -0.75 4.56 4.06 2pm7B1 TYR 19 HB2 -0.31 0.08 0.21 -0.04 3.06 3.00 2pm7B1 TYR 19 HB3 -0.77 -0.03 0.12 -0.04 2.98 2.26 2pm7B1 TYR 19 HD2 -0.66 0.01 0.06 -0.04 7.15 6.52 2pm7B1 TYR 19 HE2 -0.21 -0.00 0.06 -0.04 6.85 6.66 2pm7B1 TYR 20 H -0.10 -0.04 -0.72 -0.55 8.29 6.88 2pm7B1 TYR 20 HA -0.24 0.24 0.98 -0.75 4.56 4.79 2pm7B1 TYR 20 HB2 -0.12 -0.13 0.02 -0.04 3.06 2.79 2pm7B1 TYR 20 HB3 -0.10 0.04 0.11 -0.04 2.98 2.99 2pm7B1 TYR 20 HD2 -0.10 0.01 -0.01 -0.04 7.15 7.01 2pm7B1 TYR 20 HE2 0.03 0.01 -0.00 -0.04 6.85 6.84 2pm7B1 GLY 21 H -0.10 0.56 0.11 -0.55 8.43 8.45 2pm7B1 GLY 21 HA2 -0.04 0.14 0.36 -0.51 4.01 3.95 2pm7B1 GLY 21 HA3 -0.03 0.03 0.42 -0.51 4.01 3.92 2pm7B1 LYS 22 H -0.01 -0.19 -0.34 -0.55 8.42 7.32 2pm7B1 LYS 22 HA 0.00 0.27 0.86 -0.75 4.32 4.71 2pm7B1 LYS 22 HB2 0.00 0.07 -0.06 -0.04 1.87 1.84 2pm7B1 LYS 22 HB3 -0.03 -0.13 0.03 -0.04 1.79 1.62 2pm7B1 LYS 22 HG2 -0.01 -0.05 -0.10 -0.04 1.46 1.26 2pm7B1 LYS 22 HG3 -0.00 0.13 0.10 -0.04 1.46 1.64 2pm7B1 LYS 22 HD2 -0.05 0.00 -0.01 -0.04 1.69 1.59 2pm7B1 LYS 22 HD3 -0.07 -0.05 -0.04 -0.04 1.68 1.48 2pm7B1 LYS 22 HE2 -0.02 0.02 -0.00 -0.04 2.99 2.95 2pm7B1 LYS 22 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.84 2pm7B1 ARG 23 H -0.09 -0.10 0.04 -0.55 8.46 7.76 2pm7B1 ARG 23 HA 0.05 0.28 0.68 -0.75 4.34 4.59 2pm7B1 ARG 23 HB2 -0.04 -0.05 0.05 -0.04 1.90 1.83 2pm7B1 ARG 23 HB3 -0.30 -0.08 0.14 -0.04 1.80 1.52 2pm7B1 ARG 23 HG2 -0.01 0.09 0.07 -0.04 1.67 1.77 2pm7B1 ARG 23 HG3 0.21 0.15 0.12 -0.04 1.67 2.11 2pm7B1 ARG 23 HD2 -0.13 -0.06 0.02 -0.04 3.22 3.02 2pm7B1 ARG 23 HD3 0.72 -0.02 -0.02 -0.04 3.22 3.86 2pm7B1 ALA 25 HA 0.18 0.06 0.41 -0.75 4.34 4.23 2pm7B1 ALA 25 HB3 -0.07 -0.03 -0.02 -0.04 1.41 1.24 2pm7B1 THR 26 H 0.07 0.33 0.31 -0.55 8.28 8.44 2pm7B1 THR 26 HA 0.05 0.45 1.11 -0.75 4.39 5.24 2pm7B1 THR 26 HB 0.18 -0.05 0.15 -0.04 4.32 4.56 2pm7B1 THR 26 HG23 -0.12 0.01 -0.08 -0.04 1.22 0.99 2pm7B1 CYS 27 H -0.00 0.41 0.39 -0.55 8.50 8.76 2pm7B1 CYS 27 HA -0.15 0.32 0.79 -0.75 4.58 4.78 2pm7B1 CYS 27 HB2 -0.08 -0.06 -0.03 -0.04 2.97 2.75 2pm7B1 CYS 27 HB3 -0.07 0.07 -0.28 -0.04 2.97 2.64 2pm7B1 SER 28 H -0.29 0.29 0.30 -0.55 8.46 8.21 2pm7B1 SER 28 HA -0.29 0.24 0.52 -0.75 4.49 4.20 2pm7B1 SER 28 HB2 -0.47 -0.07 -0.13 -0.04 3.95 3.23 2pm7B1 SER 28 HB3 -0.45 0.14 -0.00 -0.04 3.93 3.58 2pm7B1 SER 29 H -0.29 0.30 0.09 -0.55 8.46 8.00 2pm7B1 SER 29 HA -0.12 0.04 0.50 -0.75 4.49 4.15 2pm7B1 SER 29 HB2 -0.08 -0.06 0.10 -0.04 3.95 3.87 2pm7B1 SER 29 HB3 -0.04 0.06 0.08 -0.04 3.93 3.99 2pm7B1 ASP 30 H -0.18 0.09 -0.17 -0.55 8.40 7.59 2pm7B1 ASP 30 HA -0.06 0.10 0.29 -0.75 4.63 4.21 2pm7B1 ASP 30 HB2 -0.02 0.08 0.10 -0.04 2.71 2.82 2pm7B1 ASP 30 HB3 -0.05 -0.12 0.10 -0.04 2.70 2.59 2pm7B1 LYS 31 H -0.15 0.17 -0.97 -0.55 8.42 6.92 2pm7B1 LYS 31 HA -0.10 -0.00 0.24 -0.75 4.32 3.71 2pm7B1 LYS 31 HB2 -0.01 0.12 0.14 -0.04 1.87 2.08 2pm7B1 LYS 31 HB3 0.01 0.01 -0.07 -0.04 1.79 1.70 2pm7B1 LYS 31 HG2 -0.08 -0.12 -0.55 -0.04 1.46 0.67 2pm7B1 LYS 31 HG3 -0.06 -0.02 -0.69 -0.04 1.46 0.66 2pm7B1 LYS 31 HD2 -0.01 0.01 -0.15 -0.04 1.69 1.50 2pm7B1 LYS 31 HD3 -0.00 -0.03 -0.40 -0.04 1.68 1.21 2pm7B1 LYS 31 HE2 -0.03 -0.04 -0.14 -0.04 2.99 2.73 2pm7B1 LYS 31 HE3 -0.03 -0.04 -0.12 -0.04 2.99 2.76 2pm7B1 THR 32 H -0.13 -0.02 -0.19 -0.55 8.28 7.39 2pm7B1 THR 32 HA -0.07 0.37 1.03 -0.75 4.39 4.97 2pm7B1 THR 32 HB -0.06 0.08 -0.06 -0.04 4.32 4.25 2pm7B1 THR 32 HG23 -0.01 0.04 -0.33 -0.04 1.22 0.88 2pm7B1 ILE 33 H -0.30 0.41 0.26 -0.55 8.25 8.07 2pm7B1 ILE 33 HA -0.10 0.42 1.14 -0.75 4.18 4.89 2pm7B1 ILE 33 HB -0.79 -0.14 0.11 -0.04 1.89 1.04 2pm7B1 ILE 33 HG12 -0.32 0.01 -0.16 -0.04 1.49 0.98 2pm7B1 ILE 33 HG13 -0.17 0.05 -0.22 -0.04 1.21 0.82 2pm7B1 ILE 33 HG23 -0.36 0.07 -0.12 -0.04 0.93 0.47 2pm7B1 ILE 33 HD13 -0.30 -0.05 -0.18 -0.04 0.88 0.31 2pm7B1 LYS 34 H 0.12 0.28 0.14 -0.55 8.42 8.40 2pm7B1 LYS 34 HA -0.19 0.21 1.11 -0.75 4.32 4.70 2pm7B1 LYS 34 HB2 0.14 -0.03 0.09 -0.04 1.87 2.03 2pm7B1 LYS 34 HB3 -0.18 0.05 0.04 -0.04 1.79 1.65 2pm7B1 LYS 34 HG2 -0.15 0.02 0.05 -0.04 1.46 1.34 2pm7B1 LYS 34 HG3 0.00 -0.12 -0.17 -0.04 1.46 1.13 2pm7B1 LYS 34 HD2 -0.67 0.16 0.04 -0.04 1.69 1.18 2pm7B1 LYS 34 HD3 -0.21 -0.03 0.04 -0.04 1.68 1.44 2pm7B1 LYS 34 HE2 -0.09 -0.15 -0.00 -0.04 2.99 2.71 2pm7B1 LYS 34 HE3 -0.14 0.08 0.04 -0.04 2.99 2.93 2pm7B1 ILE 35 H -0.24 0.35 0.25 -0.55 8.25 8.06 2pm7B1 ILE 35 HA 0.13 0.22 0.87 -0.75 4.18 4.64 2pm7B1 ILE 35 HB -0.06 -0.12 0.09 -0.04 1.89 1.76 2pm7B1 ILE 35 HG12 -0.60 -0.04 -0.12 -0.04 1.49 0.69 2pm7B1 ILE 35 HG13 -1.11 -0.01 -0.11 -0.04 1.21 -0.06 2pm7B1 ILE 35 HG23 0.38 0.04 -0.06 -0.04 0.93 1.25 2pm7B1 ILE 35 HD13 -0.57 0.02 -0.28 -0.04 0.88 0.01 2pm7B1 PHE 36 H 0.40 0.31 0.22 -0.55 8.34 8.71 2pm7B1 PHE 36 HA 0.06 0.16 0.90 -0.75 4.62 4.98 2pm7B1 PHE 36 HB2 0.04 0.09 -0.10 -0.04 3.15 3.15 2pm7B1 PHE 36 HB3 0.05 -0.02 -0.09 -0.04 3.06 2.96 2pm7B1 PHE 36 HD2 0.02 0.00 -0.30 -0.04 7.28 6.96 2pm7B1 PHE 36 HE2 -0.10 -0.00 -0.11 -0.04 7.38 7.13 2pm7B1 PHE 36 HZ -0.18 0.10 0.01 -0.04 7.32 7.21 2pm7B1 GLU 37 H 0.23 0.13 0.08 -0.55 8.60 8.49 2pm7B1 GLU 37 HA 0.11 0.23 0.85 -0.75 4.29 4.72 2pm7B1 GLU 37 HB2 0.08 -0.05 0.10 -0.04 2.09 2.18 2pm7B1 GLU 37 HB3 0.06 0.04 -0.05 -0.04 1.99 2.00 2pm7B1 GLU 37 HG2 0.10 -0.04 -0.36 -0.04 2.34 2.00 2pm7B1 GLU 37 HG3 0.06 -0.02 -0.08 -0.04 2.34 2.26 2pm7B1 VAL 38 H 0.07 0.70 0.26 -0.55 8.24 8.73 2pm7B1 VAL 38 HA 0.11 0.19 1.00 -0.75 4.13 4.68 2pm7B1 VAL 38 HB 0.04 0.11 0.05 -0.04 2.12 2.27 2pm7B1 VAL 38 HG13 0.04 0.07 -0.05 -0.04 0.97 0.99 2pm7B1 VAL 38 HG23 0.06 -0.02 -0.22 -0.04 0.95 0.73 2pm7B1 GLU 39 H 0.06 0.18 -0.06 -0.55 8.60 8.23 2pm7B1 GLU 39 HA 0.02 0.22 0.77 -0.75 4.29 4.55 2pm7B1 GLU 39 HB2 0.02 -0.17 0.12 -0.04 2.09 2.02 2pm7B1 GLU 39 HB3 0.01 -0.00 0.12 -0.04 1.99 2.08 2pm7B1 GLU 39 HG2 0.04 0.00 -0.44 -0.04 2.34 1.89 2pm7B1 GLU 39 HG3 0.01 -0.03 -0.12 -0.04 2.34 2.16 2pm7B1 GLY 40 H 0.02 0.05 0.10 -0.55 8.43 8.04 2pm7B1 GLY 40 HA2 0.01 0.16 0.52 -0.51 4.01 4.19 2pm7B1 GLY 40 HA3 0.01 -0.05 0.41 -0.51 4.01 3.87 2pm7B1 GLU 41 H 0.02 0.05 0.05 -0.55 8.60 8.18 2pm7B1 GLU 41 HA 0.04 0.31 0.81 -0.75 4.29 4.70 2pm7B1 GLU 41 HB2 0.02 -0.07 0.12 -0.04 2.09 2.12 2pm7B1 GLU 41 HB3 0.03 0.01 0.23 -0.04 1.99 2.22 2pm7B1 GLU 41 HG2 0.02 0.26 -0.13 -0.04 2.34 2.45 2pm7B1 GLU 41 HG3 0.01 -0.09 -0.12 -0.04 2.34 2.10 2pm7B1 THR 42 H 0.06 0.08 -0.15 -0.55 8.28 7.72 2pm7B1 THR 42 HA 0.05 0.25 0.84 -0.75 4.39 4.77 2pm7B1 THR 42 HB -0.04 0.04 0.14 -0.04 4.32 4.41 2pm7B1 THR 42 HG23 0.00 -0.03 -0.15 -0.04 1.22 1.00 2pm7B1 HIS 43 H -0.20 0.30 0.22 -0.55 8.41 8.18 2pm7B1 HIS 43 HA 0.08 0.38 0.62 -0.75 4.63 4.95 2pm7B1 HIS 43 HB2 0.24 -0.07 -0.00 -0.04 3.26 3.39 2pm7B1 HIS 43 HB3 0.08 0.16 -0.14 -0.04 3.20 3.26 2pm7B1 HIS 43 HD2 0.24 -0.07 -0.21 -0.04 6.97 6.90 2pm7B1 HIS 43 HE1 0.03 -0.00 0.01 -0.04 7.75 7.74 2pm7B1 LYS 44 H 0.18 0.26 0.15 -0.55 8.42 8.45 2pm7B1 LYS 44 HA -0.01 0.10 0.79 -0.75 4.32 4.44 2pm7B1 LYS 44 HB2 -0.02 0.01 -0.13 -0.04 1.87 1.68 2pm7B1 LYS 44 HB3 0.01 -0.03 0.07 -0.04 1.79 1.81 2pm7B1 LYS 44 HG2 -0.03 0.30 -0.25 -0.04 1.46 1.45 2pm7B1 LYS 44 HG3 -0.03 -0.04 0.04 -0.04 1.46 1.38 2pm7B1 LYS 44 HD2 -0.01 -0.06 -0.02 -0.04 1.69 1.56 2pm7B1 LYS 44 HD3 -0.00 -0.03 -0.03 -0.04 1.68 1.57 2pm7B1 LYS 44 HE2 -0.01 0.14 -0.01 -0.04 2.99 3.07 2pm7B1 LYS 44 HE3 -0.02 -0.04 -0.00 -0.04 2.99 2.89 2pm7B1 LEU 45 H -0.08 0.11 0.09 -0.55 8.37 7.95 2pm7B1 LEU 45 HA -0.74 0.11 0.50 -0.75 4.35 3.46 2pm7B1 LEU 45 HB2 -0.37 0.02 0.14 -0.04 1.64 1.38 2pm7B1 LEU 45 HB3 -0.20 -0.02 0.07 -0.04 1.64 1.45 2pm7B1 LEU 45 HG -0.31 -0.08 -0.04 -0.04 1.64 1.16 2pm7B1 LEU 45 HD13 -0.94 0.05 0.04 -0.04 0.93 0.03 2pm7B1 LEU 45 HD23 -0.17 0.00 -0.05 -0.04 0.89 0.63 2pm7B1 ILE 46 H -0.24 0.64 0.47 -0.55 8.25 8.57 2pm7B1 ILE 46 HA -0.02 0.20 0.98 -0.75 4.18 4.59 2pm7B1 ILE 46 HB 0.08 -0.02 -0.01 -0.04 1.89 1.90 2pm7B1 ILE 46 HG12 0.11 -0.07 -0.10 -0.04 1.49 1.39 2pm7B1 ILE 46 HG13 0.04 0.03 -0.06 -0.04 1.21 1.19 2pm7B1 ILE 46 HG23 0.21 -0.03 -0.07 -0.04 0.93 1.01 2pm7B1 ILE 46 HD13 0.03 -0.03 -0.21 -0.04 0.88 0.63 2pm7B1 ASP 47 H -0.19 0.23 0.33 -0.55 8.40 8.23 2pm7B1 ASP 47 HA -0.05 0.11 0.44 -0.75 4.63 4.37 2pm7B1 ASP 47 HB2 0.11 0.16 -0.45 -0.04 2.71 2.48 2pm7B1 ASP 47 HB3 -0.24 -0.07 -0.11 -0.04 2.70 2.25 2pm7B1 THR 48 H -0.09 0.27 0.11 -0.55 8.28 8.02 2pm7B1 THR 48 HA -0.19 0.18 0.83 -0.75 4.39 4.46 2pm7B1 THR 48 HB -0.06 -0.02 0.10 -0.04 4.32 4.30 2pm7B1 THR 48 HG23 -0.05 -0.00 -0.22 -0.04 1.22 0.91 2pm7B1 LEU 49 H -0.41 1.03 0.32 -0.55 8.37 8.77 2pm7B1 LEU 49 HA -0.27 0.06 0.64 -0.75 4.35 4.02 2pm7B1 LEU 49 HB2 -1.14 -0.15 0.22 -0.04 1.64 0.53 2pm7B1 LEU 49 HB3 -3.23 0.05 -0.02 -0.04 1.64 -1.60 2pm7B1 LEU 49 HG -0.84 0.15 0.02 -0.04 1.64 0.93 2pm7B1 LEU 49 HD13 -1.73 -0.01 -0.12 -0.04 0.93 -0.97 2pm7B1 LEU 49 HD23 -0.47 -0.01 -0.13 -0.04 0.89 0.24 2pm7B1 THR 50 H 0.24 0.20 0.27 -0.55 8.28 8.44 2pm7B1 THR 50 HA 0.09 0.22 0.98 -0.75 4.39 4.93 2pm7B1 THR 50 HB 0.11 -0.01 0.13 -0.04 4.32 4.51 2pm7B1 THR 50 HG23 0.07 -0.01 -0.17 -0.04 1.22 1.07 2pm7B1 GLY 51 H 0.12 0.29 0.11 -0.55 8.43 8.40 2pm7B1 GLY 51 HA2 0.03 0.02 0.35 -0.51 4.01 3.90 2pm7B1 GLY 51 HA3 0.03 0.11 0.51 -0.51 4.01 4.15 2pm7B1 HIS 52 H 0.06 0.13 0.04 -0.55 8.41 8.09 2pm7B1 HIS 52 HA 0.03 0.00 0.36 -0.75 4.63 4.26 2pm7B1 HIS 52 HB2 0.01 0.18 0.08 -0.04 3.26 3.49 2pm7B1 HIS 52 HB3 -0.04 -0.05 0.02 -0.04 3.20 3.08 2pm7B1 HIS 52 HD2 0.07 0.02 -0.17 -0.04 6.97 6.84 2pm7B1 HIS 52 HE1 0.06 0.05 -0.28 -0.04 7.75 7.53 2pm7B1 GLU 53 H 0.11 0.03 0.18 -0.55 8.60 8.37 2pm7B1 GLU 53 HA 0.03 0.22 0.76 -0.75 4.29 4.55 2pm7B1 GLU 53 HB2 0.02 -0.04 0.04 -0.04 2.09 2.07 2pm7B1 GLU 53 HB3 0.02 0.00 0.14 -0.04 1.99 2.11 2pm7B1 GLU 53 HG2 0.03 0.14 -0.07 -0.04 2.34 2.39 2pm7B1 GLU 53 HG3 0.04 -0.06 0.05 -0.04 2.34 2.34 2pm7B1 GLY 54 H -0.01 0.05 -0.03 -0.55 8.43 7.89 2pm7B1 GLY 54 HA2 -0.02 0.27 0.77 -0.51 4.01 4.52 2pm7B1 GLY 54 HA3 0.02 -0.08 0.23 -0.51 4.01 3.67 2pm7B1 PRO 55 HA -0.30 0.12 0.50 -0.51 4.44 4.24 2pm7B1 PRO 55 HB2 -1.37 -0.01 -0.00 -0.04 2.28 0.85 2pm7B1 PRO 55 HB3 -0.35 -0.02 0.01 -0.04 2.02 1.61 2pm7B1 PRO 55 HG2 -0.24 0.04 0.10 -0.04 2.03 1.89 2pm7B1 PRO 55 HG3 -0.18 0.12 0.16 -0.04 2.03 2.10 2pm7B1 PRO 55 HD2 -0.25 0.02 0.21 -0.04 3.68 3.61 2pm7B1 PRO 55 HD3 -0.13 0.19 0.23 -0.04 3.65 3.90 2pm7B1 VAL 56 H -0.28 0.47 0.18 -0.55 8.24 8.06 2pm7B1 VAL 56 HA -0.48 0.06 0.72 -0.75 4.13 3.67 2pm7B1 VAL 56 HB -0.13 -0.13 0.10 -0.04 2.12 1.92 2pm7B1 VAL 56 HG13 -0.06 0.01 -0.22 -0.04 0.97 0.67 2pm7B1 VAL 56 HG23 -0.04 -0.01 -0.17 -0.04 0.95 0.68 2pm7B1 TRP 57 H -0.20 0.50 0.45 -0.55 7.97 8.17 2pm7B1 TRP 57 HA -0.07 0.09 0.62 -0.75 4.62 4.50 2pm7B1 TRP 57 HB2 -0.07 0.08 0.11 -0.04 3.23 3.30 2pm7B1 TRP 57 HB3 -0.07 0.11 0.03 -0.04 3.23 3.26 2pm7B1 TRP 57 HD1 -0.06 0.35 -0.19 -0.04 7.22 7.28 2pm7B1 TRP 57 HE1 0.12 -0.10 -0.03 -0.04 10.20 10.15 2pm7B1 TRP 57 HE3 -0.36 0.13 -0.08 -0.04 7.59 7.23 2pm7B1 TRP 57 HZ2 -0.15 -0.03 0.01 -0.04 7.44 7.24 2pm7B1 TRP 57 HZ3 -1.38 0.00 -0.08 -0.04 7.13 5.63 2pm7B1 TRP 57 HH2 -0.28 -0.02 -0.02 -0.04 7.19 6.83 2pm7B1 ARG 58 H 0.12 0.22 0.20 -0.55 8.46 8.45 2pm7B1 ARG 58 HA 0.10 0.20 0.70 -0.75 4.34 4.58 2pm7B1 ARG 58 HB2 0.07 -0.14 -0.11 -0.04 1.90 1.68 2pm7B1 ARG 58 HB3 0.07 0.04 0.11 -0.04 1.80 1.97 2pm7B1 ARG 58 HG2 0.11 0.34 -0.22 -0.04 1.67 1.86 2pm7B1 ARG 58 HG3 0.10 0.13 -0.23 -0.04 1.67 1.63 2pm7B1 ARG 58 HD2 0.04 -0.11 0.11 -0.04 3.22 3.22 2pm7B1 ARG 58 HD3 0.06 -0.02 0.11 -0.04 3.22 3.33 2pm7B1 VAL 59 H 0.05 0.30 0.18 -0.55 8.24 8.22 2pm7B1 VAL 59 HA 0.01 0.37 0.99 -0.75 4.13 4.75 2pm7B1 VAL 59 HB -0.19 0.00 -0.01 -0.04 2.12 1.88 2pm7B1 VAL 59 HG13 -0.08 -0.04 -0.33 -0.04 0.97 0.48 2pm7B1 VAL 59 HG23 -0.03 -0.01 -0.24 -0.04 0.95 0.63 2pm7B1 ASP 60 H 0.03 0.39 0.31 -0.55 8.40 8.58 2pm7B1 ASP 60 HA 0.21 0.15 0.81 -0.75 4.63 5.06 2pm7B1 ASP 60 HB2 0.10 0.20 -0.15 -0.04 2.71 2.82 2pm7B1 ASP 60 HB3 0.05 -0.12 -0.05 -0.04 2.70 2.53 2pm7B1 TRP 61 H 0.55 0.18 0.16 -0.55 7.97 8.31 2pm7B1 TRP 61 HA 0.31 0.19 0.89 -0.75 4.62 5.25 2pm7B1 TRP 61 HB2 0.18 -0.04 0.13 -0.04 3.23 3.46 2pm7B1 TRP 61 HB3 0.16 0.04 0.12 -0.04 3.23 3.50 2pm7B1 TRP 61 HD1 0.16 -0.10 -0.24 -0.04 7.22 7.00 2pm7B1 TRP 61 HE1 0.11 0.98 0.26 -0.04 10.20 11.50 2pm7B1 TRP 61 HE3 0.26 0.15 0.13 -0.04 7.59 8.08 2pm7B1 TRP 61 HZ2 0.11 0.13 -0.13 -0.04 7.44 7.51 2pm7B1 TRP 61 HZ3 0.63 -0.10 -0.14 -0.04 7.13 7.47 2pm7B1 TRP 61 HH2 0.39 -0.07 -0.06 -0.04 7.19 7.40 2pm7B1 ALA 62 H 0.10 0.34 0.16 -0.55 8.40 8.46 2pm7B1 ALA 62 HA -0.68 0.12 0.60 -0.75 4.34 3.62 2pm7B1 ALA 62 HB3 -1.33 -0.01 0.02 -0.04 1.41 0.06 2pm7B1 HIS 63 H -0.00 0.12 0.13 -0.55 8.41 8.12 2pm7B1 HIS 63 HA -0.16 0.15 0.58 -0.75 4.63 4.46 2pm7B1 HIS 63 HB2 0.09 0.05 0.16 -0.04 3.26 3.53 2pm7B1 HIS 63 HB3 0.46 0.01 0.10 -0.04 3.20 3.73 2pm7B1 HIS 63 HD2 -0.54 -0.02 0.09 -0.04 6.97 6.45 2pm7B1 HIS 63 HE1 -0.43 0.07 0.03 -0.04 7.75 7.38 2pm7B1 PRO 64 HA 0.06 0.18 0.46 -0.51 4.44 4.63 2pm7B1 PRO 64 HB2 -0.13 0.01 0.07 -0.04 2.28 2.19 2pm7B1 PRO 64 HB3 0.16 0.02 0.09 -0.04 2.02 2.26 2pm7B1 PRO 64 HG2 -0.32 0.06 0.11 -0.04 2.03 1.84 2pm7B1 PRO 64 HG3 0.02 0.04 0.14 -0.04 2.03 2.18 2pm7B1 PRO 64 HD2 -1.71 0.08 0.27 -0.04 3.68 2.28 2pm7B1 PRO 64 HD3 -0.52 0.23 0.34 -0.04 3.65 3.67 2pm7B1 LYS 65 H 0.88 0.08 -0.31 -0.55 8.42 8.51 2pm7B1 LYS 65 HA -0.16 0.08 0.35 -0.75 4.32 3.84 2pm7B1 LYS 65 HB2 -0.43 0.02 0.13 -0.04 1.87 1.55 2pm7B1 LYS 65 HB3 -0.44 -0.05 0.07 -0.04 1.79 1.33 2pm7B1 LYS 65 HG2 -1.63 -0.07 -0.11 -0.04 1.46 -0.39 2pm7B1 LYS 65 HG3 -1.64 0.08 -0.25 -0.04 1.46 -0.39 2pm7B1 LYS 65 HD2 -0.51 0.00 -0.01 -0.04 1.69 1.13 2pm7B1 LYS 65 HD3 -0.97 -0.05 -0.03 -0.04 1.68 0.59 2pm7B1 LYS 65 HE2 -0.36 -0.03 -0.08 -0.04 2.99 2.49 2pm7B1 LYS 65 HE3 -0.55 0.04 -0.07 -0.04 2.99 2.37 2pm7B1 PHE 66 H 0.02 0.22 -0.75 -0.55 8.34 7.28 2pm7B1 PHE 66 HA -0.07 0.17 0.91 -0.75 4.62 4.87 2pm7B1 PHE 66 HB2 -0.17 0.11 -0.02 -0.04 3.15 3.03 2pm7B1 PHE 66 HB3 -0.13 -0.02 0.02 -0.04 3.06 2.90 2pm7B1 PHE 66 HD2 -0.09 0.11 0.01 -0.04 7.28 7.27 2pm7B1 PHE 66 HE2 -0.06 -0.04 -0.03 -0.04 7.38 7.21 2pm7B1 PHE 66 HZ -0.05 0.14 -0.11 -0.04 7.32 7.25 2pm7B1 GLY 67 H 0.07 0.18 0.09 -0.55 8.43 8.22 2pm7B1 GLY 67 HA2 0.01 0.01 0.29 -0.51 4.01 3.81 2pm7B1 GLY 67 HA3 0.01 0.19 0.77 -0.51 4.01 4.47 2pm7B1 THR 68 H -0.03 0.16 0.13 -0.55 8.28 7.99 2pm7B1 THR 68 HA 0.17 0.11 0.71 -0.75 4.39 4.63 2pm7B1 THR 68 HB -0.16 0.07 0.28 -0.04 4.32 4.46 2pm7B1 THR 68 HG23 -0.07 -0.02 -0.08 -0.04 1.22 1.01 2pm7B1 ILE 69 H 0.31 0.27 0.19 -0.55 8.25 8.48 2pm7B1 ILE 69 HA 0.34 0.27 0.92 -0.75 4.18 4.96 2pm7B1 ILE 69 HB -0.09 -0.08 -0.07 -0.04 1.89 1.61 2pm7B1 ILE 69 HG12 0.05 0.10 -0.14 -0.04 1.49 1.46 2pm7B1 ILE 69 HG13 0.02 -0.17 -0.98 -0.04 1.21 0.04 2pm7B1 ILE 69 HG23 0.22 0.07 -0.04 -0.04 0.93 1.14 2pm7B1 ILE 69 HD13 -0.11 0.01 -0.19 -0.04 0.88 0.55 2pm7B1 LEU 70 H 0.43 0.52 0.30 -0.55 8.37 9.07 2pm7B1 LEU 70 HA 0.04 0.23 0.87 -0.75 4.35 4.73 2pm7B1 LEU 70 HB2 -0.77 0.02 -0.19 -0.04 1.64 0.65 2pm7B1 LEU 70 HB3 -0.08 -0.09 -0.03 -0.04 1.64 1.39 2pm7B1 LEU 70 HG -0.26 0.12 -0.18 -0.04 1.64 1.27 2pm7B1 LEU 70 HD13 -1.45 0.01 -0.17 -0.04 0.93 -0.73 2pm7B1 LEU 70 HD23 -0.65 -0.02 -0.20 -0.04 0.89 -0.02 2pm7B1 ALA 71 H 0.26 0.58 0.35 -0.55 8.40 9.04 2pm7B1 ALA 71 HA 0.30 0.19 1.01 -0.75 4.34 5.08 2pm7B1 ALA 71 HB3 -0.08 0.00 -0.02 -0.04 1.41 1.28 2pm7B1 SER 72 H 0.24 0.29 0.27 -0.55 8.46 8.72 2pm7B1 SER 72 HA 0.09 0.44 0.97 -0.75 4.49 5.24 2pm7B1 SER 72 HB2 0.21 0.01 0.03 -0.04 3.95 4.16 2pm7B1 SER 72 HB3 0.13 -0.00 -0.21 -0.04 3.93 3.81 2pm7B1 CYS 73 H 0.04 0.46 0.32 -0.55 8.50 8.77 2pm7B1 CYS 73 HA 0.02 0.31 0.93 -0.75 4.58 5.08 2pm7B1 CYS 73 HB2 0.03 -0.01 -0.07 -0.04 2.97 2.89 2pm7B1 CYS 73 HB3 0.03 0.02 -0.27 -0.04 2.97 2.71 2pm7B1 SER 74 H -0.16 0.35 0.35 -0.55 8.46 8.46 2pm7B1 SER 74 HA -0.51 0.15 1.02 -0.75 4.49 4.39 2pm7B1 SER 74 HB2 -0.79 0.05 -0.16 -0.04 3.95 3.01 2pm7B1 SER 74 HB3 -0.76 -0.06 -0.02 -0.04 3.93 3.05 2pm7B1 TYR 75 H -0.76 0.64 0.21 -0.55 8.29 7.82 2pm7B1 TYR 75 HA 0.28 -0.01 0.45 -0.75 4.56 4.52 2pm7B1 TYR 75 HB2 -0.08 0.07 0.16 -0.04 3.06 3.17 2pm7B1 TYR 75 HB3 -0.26 -0.03 0.10 -0.04 2.98 2.76 2pm7B1 TYR 75 HD2 0.16 -0.00 -0.00 -0.04 7.15 7.27 2pm7B1 TYR 75 HE2 0.05 0.01 0.02 -0.04 6.85 6.90 2pm7B1 ASP 76 H -0.14 0.01 -0.64 -0.55 8.40 7.08 2pm7B1 ASP 76 HA -0.15 0.15 0.34 -0.75 4.63 4.21 2pm7B1 ASP 76 HB2 -0.02 0.10 0.06 -0.04 2.71 2.82 2pm7B1 ASP 76 HB3 -0.02 -0.09 -0.03 -0.04 2.70 2.52 2pm7B1 GLY 77 H -0.09 0.46 -0.39 -0.55 8.43 7.86 2pm7B1 GLY 77 HA2 -0.04 0.00 0.25 -0.51 4.01 3.71 2pm7B1 GLY 77 HA3 -0.07 0.12 0.23 -0.51 4.01 3.77 2pm7B1 LYS 78 H -0.02 0.05 0.00 -0.55 8.42 7.90 2pm7B1 LYS 78 HA -0.02 0.24 1.01 -0.75 4.32 4.80 2pm7B1 LYS 78 HB2 0.11 -0.13 -0.09 -0.04 1.87 1.72 2pm7B1 LYS 78 HB3 0.04 0.07 -0.01 -0.04 1.79 1.84 2pm7B1 LYS 78 HG2 -0.04 0.05 -0.12 -0.04 1.46 1.31 2pm7B1 LYS 78 HG3 -0.02 0.10 -0.55 -0.04 1.46 0.96 2pm7B1 LYS 78 HD2 0.04 -0.10 -0.12 -0.04 1.69 1.47 2pm7B1 LYS 78 HD3 -0.01 0.01 -0.11 -0.04 1.68 1.53 2pm7B1 LYS 78 HE2 -0.03 0.02 -0.07 -0.04 2.99 2.87 2pm7B1 LYS 78 HE3 -0.02 0.08 -0.07 -0.04 2.99 2.94 2pm7B1 VAL 79 H 0.06 0.94 0.34 -0.55 8.24 9.03 2pm7B1 VAL 79 HA 0.14 0.32 0.99 -0.75 4.13 4.84 2pm7B1 VAL 79 HB 0.18 -0.05 0.13 -0.04 2.12 2.34 2pm7B1 VAL 79 HG13 0.03 0.04 -0.01 -0.04 0.97 0.99 2pm7B1 VAL 79 HG23 0.10 -0.02 -0.14 -0.04 0.95 0.85 2pm7B1 ILE 81 HA 0.25 0.02 0.46 -0.75 4.18 4.16 2pm7B1 ILE 81 HB -0.00 -0.11 0.05 -0.04 1.89 1.79 2pm7B1 ILE 81 HG12 0.41 0.03 -0.13 -0.04 1.49 1.76 2pm7B1 ILE 81 HG13 0.21 -0.07 -0.12 -0.04 1.21 1.19 2pm7B1 ILE 81 HG23 0.25 0.02 -0.10 -0.04 0.93 1.05 2pm7B1 ILE 81 HD13 0.19 0.01 -0.30 -0.04 0.88 0.74 2pm7B1 TRP 82 H 0.49 0.66 0.40 -0.55 7.97 8.97 2pm7B1 TRP 82 HA 0.17 0.18 0.88 -0.75 4.62 5.09 2pm7B1 TRP 82 HB2 0.13 -0.05 -0.00 -0.04 3.23 3.27 2pm7B1 TRP 82 HB3 0.32 -0.07 -0.03 -0.04 3.23 3.40 2pm7B1 TRP 82 HD1 0.00 0.10 -0.17 -0.04 7.22 7.11 2pm7B1 TRP 82 HE1 -0.07 -0.05 -0.17 -0.04 10.20 9.87 2pm7B1 TRP 82 HE3 0.06 -0.03 -0.15 -0.04 7.59 7.43 2pm7B1 TRP 82 HZ2 -0.28 -0.08 -0.26 -0.04 7.44 6.79 2pm7B1 TRP 82 HZ3 -0.02 -0.01 0.06 -0.04 7.13 7.11 2pm7B1 TRP 82 HH2 -0.10 0.19 -0.48 -0.04 7.19 6.75 2pm7B1 LYS 83 H 0.53 0.18 0.22 -0.55 8.42 8.79 2pm7B1 LYS 83 HA 0.11 0.28 0.87 -0.75 4.32 4.83 2pm7B1 LYS 83 HB2 0.07 0.04 -0.20 -0.04 1.87 1.75 2pm7B1 LYS 83 HB3 0.04 0.02 0.12 -0.04 1.79 1.93 2pm7B1 LYS 83 HG2 -0.08 -0.12 -0.20 -0.04 1.46 1.02 2pm7B1 LYS 83 HG3 -0.04 0.20 0.05 -0.04 1.46 1.64 2pm7B1 LYS 83 HD2 -0.04 0.03 -0.06 -0.04 1.69 1.58 2pm7B1 LYS 83 HD3 -0.04 -0.02 -0.03 -0.04 1.68 1.55 2pm7B1 LYS 83 HE2 -0.05 -0.08 -0.04 -0.04 2.99 2.78 2pm7B1 LYS 83 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.87 2pm7B1 GLU 84 H -0.59 0.49 0.14 -0.55 8.60 8.09 2pm7B1 GLU 84 HA -0.67 0.31 0.51 -0.75 4.29 3.69 2pm7B1 GLU 84 HB2 -2.92 -0.00 -0.13 -0.04 2.09 -1.00 2pm7B1 GLU 84 HB3 -0.84 -0.01 0.17 -0.04 1.99 1.27 2pm7B1 GLU 84 HG2 -0.38 -0.18 -0.23 -0.04 2.34 1.51 2pm7B1 GLU 84 HG3 -0.69 0.04 -0.37 -0.04 2.34 1.28 2pm7B1 GLU 85 H -0.16 0.55 0.11 -0.55 8.60 8.55 2pm7B1 GLU 85 HA -0.12 0.10 0.97 -0.75 4.29 4.49 2pm7B1 GLU 85 HB2 -0.08 0.02 -0.00 -0.04 2.09 1.99 2pm7B1 GLU 85 HB3 -0.06 0.05 0.15 -0.04 1.99 2.09 2pm7B1 GLU 85 HG2 -0.05 -0.01 -0.08 -0.04 2.34 2.16 2pm7B1 GLU 85 HG3 -0.06 -0.01 0.06 -0.04 2.34 2.29 2pm7B1 ASN 86 H -0.08 0.20 0.17 -0.55 8.53 8.27 2pm7B1 ASN 86 HA -0.05 0.03 0.33 -0.75 4.76 4.32 2pm7B1 ASN 86 HB2 -0.04 0.35 0.33 -0.04 2.88 3.48 2pm7B1 ASN 86 HB3 -0.03 -0.02 0.23 -0.04 2.79 2.93 2pm7B1 ASN 86 HD21 -0.03 -0.01 -0.07 -0.04 7.03 6.88 2pm7B1 ASN 86 HD22 -0.03 0.12 -0.14 -0.04 7.74 7.66 2pm7B1 GLY 87 H -0.12 0.07 -0.38 -0.55 8.43 7.45 2pm7B1 GLY 87 HA2 -0.07 0.00 0.22 -0.51 4.01 3.64 2pm7B1 GLY 87 HA3 -0.03 0.21 0.74 -0.51 4.01 4.41 2pm7B1 ARG 88 H -0.10 0.21 -0.34 -0.55 8.46 7.69 2pm7B1 ARG 88 HA 0.06 0.18 0.87 -0.75 4.34 4.69 2pm7B1 ARG 88 HB2 0.02 0.03 -0.05 -0.04 1.90 1.86 2pm7B1 ARG 88 HB3 0.08 0.04 -0.02 -0.04 1.80 1.86 2pm7B1 ARG 88 HG2 0.06 0.09 -0.07 -0.04 1.67 1.71 2pm7B1 ARG 88 HG3 0.01 -0.03 -0.52 -0.04 1.67 1.09 2pm7B1 ARG 88 HD2 0.03 -0.01 -0.07 -0.04 3.22 3.13 2pm7B1 ARG 88 HD3 0.05 -0.01 -0.03 -0.04 3.22 3.19 2pm7B1 TRP 89 H 0.40 0.14 0.13 -0.55 7.97 8.09 2pm7B1 TRP 89 HA 0.13 0.52 0.81 -0.75 4.62 5.33 2pm7B1 TRP 89 HB2 0.13 -0.02 0.10 -0.04 3.23 3.41 2pm7B1 TRP 89 HB3 0.27 -0.02 -0.10 -0.04 3.23 3.34 2pm7B1 TRP 89 HD1 0.06 0.06 -0.05 -0.04 7.22 7.24 2pm7B1 TRP 89 HE1 0.10 0.04 -0.14 -0.04 10.20 10.16 2pm7B1 TRP 89 HE3 0.27 -0.08 -0.30 -0.04 7.59 7.44 2pm7B1 TRP 89 HZ2 0.38 0.02 -0.12 -0.04 7.44 7.69 2pm7B1 TRP 89 HZ3 0.16 0.04 -0.43 -0.04 7.13 6.85 2pm7B1 TRP 89 HH2 0.48 0.04 -0.27 -0.04 7.19 7.40 2pm7B1 SER 90 H 0.26 0.54 0.45 -0.55 8.46 9.16 2pm7B1 SER 90 HA 0.18 0.12 0.88 -0.75 4.49 4.91 2pm7B1 SER 90 HB2 0.03 0.03 0.01 -0.04 3.95 3.98 2pm7B1 SER 90 HB3 0.08 0.02 -0.17 -0.04 3.93 3.82 2pm7B1 GLN 91 H -0.12 0.14 0.15 -0.55 8.47 8.10 2pm7B1 GLN 91 HA -0.45 0.27 0.69 -0.75 4.36 4.11 2pm7B1 GLN 91 HB2 -0.32 -0.07 0.22 -0.04 2.15 1.94 2pm7B1 GLN 91 HB3 -0.49 0.14 0.06 -0.04 2.02 1.68 2pm7B1 GLN 91 HG2 -2.20 0.06 0.00 -0.04 2.40 0.22 2pm7B1 GLN 91 HG3 -0.85 -0.09 0.11 -0.04 2.39 1.51 2pm7B1 GLN 91 HE21 -0.16 -0.09 0.19 -0.04 6.97 6.87 2pm7B1 GLN 91 HE22 -0.19 0.01 0.17 -0.04 7.69 7.64 2pm7B1 ILE 92 H -0.11 0.23 0.31 -0.55 8.25 8.14 2pm7B1 ILE 92 HA -0.07 0.05 0.48 -0.75 4.18 3.89 2pm7B1 ILE 92 HB -0.08 -0.02 0.04 -0.04 1.89 1.79 2pm7B1 ILE 92 HG12 -0.06 0.05 -0.04 -0.04 1.49 1.39 2pm7B1 ILE 92 HG13 -0.13 0.03 -0.18 -0.04 1.21 0.89 2pm7B1 ILE 92 HG23 -0.02 0.04 0.03 -0.04 0.93 0.94 2pm7B1 ILE 92 HD13 -0.11 -0.02 -0.11 -0.04 0.88 0.60 2pm7B1 ALA 93 H -0.13 0.33 0.04 -0.55 8.40 8.09 2pm7B1 ALA 93 HA -0.03 0.10 0.60 -0.75 4.34 4.26 2pm7B1 ALA 93 HB3 0.04 0.01 -0.09 -0.04 1.41 1.32 2pm7B1 VAL 94 H 0.04 0.22 0.15 -0.55 8.24 8.09 2pm7B1 VAL 94 HA -0.00 0.30 0.88 -0.75 4.13 4.55 2pm7B1 VAL 94 HB -0.08 0.04 -0.25 -0.04 2.12 1.80 2pm7B1 VAL 94 HG13 -0.02 -0.02 -0.05 -0.04 0.97 0.84 2pm7B1 VAL 94 HG23 -0.04 -0.01 -0.10 -0.04 0.95 0.76 2pm7B1 HIS 95 H 0.10 0.79 0.22 -0.55 8.41 8.98 2pm7B1 HIS 95 HA -0.03 0.14 0.93 -0.75 4.63 4.92 2pm7B1 HIS 95 HB2 -0.01 0.05 -0.10 -0.04 3.26 3.17 2pm7B1 HIS 95 HB3 -0.02 -0.01 0.13 -0.04 3.20 3.26 2pm7B1 HIS 95 HD2 -0.06 -0.01 -0.15 -0.04 6.97 6.70 2pm7B1 HIS 95 HE1 -0.15 0.03 -0.13 -0.04 7.75 7.46 2pm7B1 ALA 96 H -0.23 0.24 0.01 -0.55 8.40 7.87 2pm7B1 ALA 96 HA -0.26 0.10 0.85 -0.75 4.34 4.28 2pm7B1 ALA 96 HB3 -0.09 0.03 0.01 -0.04 1.41 1.33 2pm7B1 VAL 97 H -0.59 0.05 0.09 -0.55 8.24 7.24 2pm7B1 VAL 97 HA -0.21 0.25 0.90 -0.75 4.13 4.31 2pm7B1 VAL 97 HB -0.25 0.01 0.04 -0.04 2.12 1.88 2pm7B1 VAL 97 HG13 -0.19 -0.01 -0.14 -0.04 0.97 0.60 2pm7B1 VAL 97 HG23 -0.73 -0.01 -0.18 -0.04 0.95 -0.01 2pm7B1 HIS 98 H -0.26 0.03 0.09 -0.55 8.41 7.73 2pm7B1 HIS 98 HA -0.09 0.12 0.68 -0.75 4.63 4.59 2pm7B1 HIS 98 HB2 -0.10 0.17 0.04 -0.04 3.26 3.32 2pm7B1 HIS 98 HB3 -0.09 -0.14 0.04 -0.04 3.20 2.97 2pm7B1 HIS 98 HD2 -0.10 0.05 -0.17 -0.04 6.97 6.71 2pm7B1 HIS 98 HE1 -0.09 0.00 -0.54 -0.04 7.75 7.08 2pm7B1 SER 99 H 0.04 0.06 0.12 -0.55 8.46 8.12 2pm7B1 SER 99 HA -0.03 0.31 0.90 -0.75 4.49 4.91 2pm7B1 SER 99 HB2 -0.03 0.00 0.18 -0.04 3.95 4.07 2pm7B1 SER 99 HB3 -0.03 0.05 0.00 -0.04 3.93 3.92 2pm7B1 ALA 100 H -0.02 0.17 -0.15 -0.55 8.40 7.85 2pm7B1 ALA 100 HA -0.11 0.20 0.57 -0.75 4.34 4.24 2pm7B1 ALA 100 HB3 -0.07 -0.03 -0.17 -0.04 1.41 1.09 2pm7B1 SER 101 H -0.11 0.13 0.14 -0.55 8.46 8.07 2pm7B1 SER 101 HA -0.05 0.10 0.41 -0.75 4.49 4.19 2pm7B1 SER 101 HB2 0.15 0.09 0.20 -0.04 3.95 4.35 2pm7B1 SER 101 HB3 0.08 -0.06 0.11 -0.04 3.93 4.01 2pm7B1 VAL 102 H 0.09 0.34 0.14 -0.55 8.24 8.25 2pm7B1 VAL 102 HA -0.09 0.14 0.86 -0.75 4.13 4.29 2pm7B1 VAL 102 HB 0.03 -0.09 0.13 -0.04 2.12 2.14 2pm7B1 VAL 102 HG13 -0.01 0.01 -0.20 -0.04 0.97 0.73 2pm7B1 VAL 102 HG23 0.02 -0.00 -0.22 -0.04 0.95 0.71 2pm7B1 ASN 103 H -0.08 0.54 0.30 -0.55 8.53 8.74 2pm7B1 ASN 103 HA 0.06 0.12 0.82 -0.75 4.76 5.00 2pm7B1 ASN 103 HB2 -0.14 0.15 0.06 -0.04 2.88 2.91 2pm7B1 ASN 103 HB3 -0.22 0.05 0.15 -0.04 2.79 2.72 2pm7B1 ASN 103 HD21 -0.16 -0.17 -0.09 -0.04 7.03 6.57 2pm7B1 ASN 103 HD22 -0.18 0.36 -0.02 -0.04 7.74 7.85 2pm7B1 SER 104 H -0.05 0.25 0.11 -0.55 8.46 8.22 2pm7B1 SER 104 HA 0.00 0.13 0.52 -0.75 4.49 4.38 2pm7B1 SER 104 HB2 -0.03 0.06 0.13 -0.04 3.95 4.06 2pm7B1 SER 104 HB3 -0.05 0.25 -0.13 -0.04 3.93 3.95 2pm7B1 VAL 105 H -0.03 0.42 0.12 -0.55 8.24 8.21 2pm7B1 VAL 105 HA -0.13 0.31 0.71 -0.75 4.13 4.27 2pm7B1 VAL 105 HB -0.04 -0.02 -0.38 -0.04 2.12 1.63 2pm7B1 VAL 105 HG13 -0.05 -0.03 -0.40 -0.04 0.97 0.45 2pm7B1 VAL 105 HG23 -0.21 -0.01 -0.19 -0.04 0.95 0.51 2pm7B1 GLN 106 H -0.15 0.39 0.22 -0.55 8.47 8.39 2pm7B1 GLN 106 HA 0.00 0.07 0.63 -0.75 4.36 4.31 2pm7B1 GLN 106 HB2 0.03 0.07 -0.19 -0.04 2.15 2.03 2pm7B1 GLN 106 HB3 0.10 -0.05 0.04 -0.04 2.02 2.07 2pm7B1 GLN 106 HG2 0.29 0.11 0.04 -0.04 2.40 2.80 2pm7B1 GLN 106 HG3 0.18 0.01 0.16 -0.04 2.39 2.70 2pm7B1 GLN 106 HE21 0.24 -0.05 0.14 -0.04 6.97 7.26 2pm7B1 GLN 106 HE22 0.19 0.03 0.11 -0.04 7.69 7.98 2pm7B1 TRP 107 H 0.24 0.15 0.08 -0.55 7.97 7.89 2pm7B1 TRP 107 HA 0.10 0.05 0.56 -0.75 4.62 4.57 2pm7B1 TRP 107 HB2 0.12 0.06 0.10 -0.04 3.23 3.47 2pm7B1 TRP 107 HB3 0.04 0.06 0.03 -0.04 3.23 3.31 2pm7B1 TRP 107 HD1 0.16 0.00 -0.82 -0.04 7.22 6.52 2pm7B1 TRP 107 HE1 0.11 0.09 -0.17 -0.04 10.20 10.19 2pm7B1 TRP 107 HE3 -0.03 0.02 0.03 -0.04 7.59 7.58 2pm7B1 TRP 107 HZ2 0.13 -0.01 -0.21 -0.04 7.44 7.30 2pm7B1 TRP 107 HZ3 0.23 0.14 -0.29 -0.04 7.13 7.17 2pm7B1 TRP 107 HH2 0.31 0.04 -0.15 -0.04 7.19 7.35 2pm7B1 ALA 108 H 0.06 0.15 0.20 -0.55 8.40 8.25 2pm7B1 ALA 108 HA -1.74 0.07 0.39 -0.75 4.34 2.31 2pm7B1 ALA 108 HB3 -1.22 0.03 0.04 -0.04 1.41 0.22 2pm7B1 PRO 109 HA -0.21 0.08 0.55 -0.51 4.44 4.35 2pm7B1 PRO 109 HB2 -0.93 -0.09 0.12 -0.04 2.28 1.34 2pm7B1 PRO 109 HB3 -0.36 0.00 0.15 -0.04 2.02 1.78 2pm7B1 PRO 109 HG2 -0.82 0.16 0.05 -0.04 2.03 1.37 2pm7B1 PRO 109 HG3 -0.40 0.11 0.03 -0.04 2.03 1.73 2pm7B1 PRO 109 HD2 -2.60 0.06 0.18 -0.04 3.68 1.29 2pm7B1 PRO 109 HD3 -1.35 0.14 0.18 -0.04 3.65 2.57 2pm7B1 HIS 110 H 0.16 0.15 0.19 -0.55 8.41 8.37 2pm7B1 HIS 110 HA 0.15 0.19 0.22 -0.75 4.63 4.43 2pm7B1 HIS 110 HB2 -0.21 0.02 0.03 -0.04 3.26 3.06 2pm7B1 HIS 110 HB3 0.10 -0.01 0.15 -0.04 3.20 3.39 2pm7B1 HIS 110 HD2 -0.18 0.04 -0.15 -0.04 6.97 6.64 2pm7B1 HIS 110 HE1 0.08 0.04 0.05 -0.04 7.75 7.87 2pm7B1 GLU 111 H -0.49 0.04 -0.37 -0.55 8.60 7.23 2pm7B1 GLU 111 HA -0.02 0.04 0.33 -0.75 4.29 3.88 2pm7B1 GLU 111 HB2 0.05 -0.01 -0.00 -0.04 2.09 2.09 2pm7B1 GLU 111 HB3 0.04 0.04 -0.01 -0.04 1.99 2.02 2pm7B1 GLU 111 HG2 -0.06 0.04 -0.00 -0.04 2.34 2.28 2pm7B1 GLU 111 HG3 -0.12 0.00 0.02 -0.04 2.34 2.21 2pm7B1 TYR 112 H 0.13 0.73 -0.26 -0.55 8.29 8.33 2pm7B1 TYR 112 HA -0.07 0.01 0.47 -0.75 4.56 4.22 2pm7B1 TYR 112 HB2 -0.27 0.16 -0.05 -0.04 3.06 2.85 2pm7B1 TYR 112 HB3 -0.20 -0.06 -0.01 -0.04 2.98 2.67 2pm7B1 TYR 112 HD2 -0.41 -0.11 -0.11 -0.04 7.15 6.48 2pm7B1 TYR 112 HE2 -0.02 -0.06 -0.00 -0.04 6.85 6.72 2pm7B1 GLY 113 H 0.15 0.40 -0.34 -0.55 8.43 8.09 2pm7B1 GLY 113 HA2 0.32 0.03 0.26 -0.51 4.01 4.10 2pm7B1 GLY 113 HA3 0.11 0.15 0.73 -0.51 4.01 4.48 2pm7B1 PRO 114 HA -0.55 0.10 0.41 -0.51 4.44 3.89 2pm7B1 PRO 114 HB2 -0.06 0.03 0.08 -0.04 2.28 2.29 2pm7B1 PRO 114 HB3 -1.25 -0.00 0.04 -0.04 2.02 0.77 2pm7B1 PRO 114 HG2 0.12 0.01 0.12 -0.04 2.03 2.23 2pm7B1 PRO 114 HG3 0.03 0.06 0.07 -0.04 2.03 2.15 2pm7B1 PRO 114 HD2 0.09 0.14 0.18 -0.04 3.68 4.04 2pm7B1 PRO 114 HD3 0.27 0.09 0.12 -0.04 3.65 4.09 2pm7B1 LEU 116 HA -0.20 -0.04 0.23 -0.75 4.35 3.60 2pm7B1 LEU 116 HB2 -0.55 0.06 -0.09 -0.04 1.64 1.02 2pm7B1 LEU 116 HB3 -0.37 -0.10 0.00 -0.04 1.64 1.13 2pm7B1 LEU 116 HG -0.41 -0.02 -0.27 -0.04 1.64 0.90 2pm7B1 LEU 116 HD13 -1.73 0.00 -0.33 -0.04 0.93 -1.17 2pm7B1 LEU 116 HD23 -0.36 -0.01 -0.16 -0.04 0.89 0.32 2pm7B1 LEU 117 H 0.05 0.83 0.29 -0.55 8.37 9.00 2pm7B1 LEU 117 HA -0.37 0.17 0.92 -0.75 4.35 4.32 2pm7B1 LEU 117 HB2 -0.90 0.00 -0.05 -0.04 1.64 0.64 2pm7B1 LEU 117 HB3 -0.35 -0.01 0.09 -0.04 1.64 1.32 2pm7B1 LEU 117 HG -0.75 -0.02 -0.41 -0.04 1.64 0.42 2pm7B1 LEU 117 HD13 -1.92 0.01 -0.16 -0.04 0.93 -1.18 2pm7B1 LEU 117 HD23 -1.31 0.02 -0.47 -0.04 0.89 -0.91 2pm7B1 VAL 118 H -0.30 0.75 0.32 -0.55 8.24 8.46 2pm7B1 VAL 118 HA -0.17 0.31 1.06 -0.75 4.13 4.58 2pm7B1 VAL 118 HB 0.06 -0.05 0.03 -0.04 2.12 2.12 2pm7B1 VAL 118 HG13 0.02 0.01 -0.15 -0.04 0.97 0.81 2pm7B1 VAL 118 HG23 -0.07 0.00 -0.30 -0.04 0.95 0.54 2pm7B1 ALA 119 H -0.17 0.50 0.21 -0.55 8.40 8.40 2pm7B1 ALA 119 HA -0.27 0.19 0.98 -0.75 4.34 4.48 2pm7B1 ALA 119 HB3 -0.18 0.00 -0.28 -0.04 1.41 0.91 2pm7B1 SER 120 H -0.35 0.52 0.32 -0.55 8.46 8.41 2pm7B1 SER 120 HA -0.21 0.21 1.21 -0.75 4.49 4.95 2pm7B1 SER 120 HB2 -0.51 0.05 -0.12 -0.04 3.95 3.33 2pm7B1 SER 120 HB3 -0.76 -0.02 0.04 -0.04 3.93 3.15 2pm7B1 SER 121 H -0.13 0.80 0.23 -0.55 8.46 8.81 2pm7B1 SER 121 HA -0.17 -0.04 0.50 -0.75 4.49 4.03 2pm7B1 SER 121 HB2 -0.09 -0.08 0.13 -0.04 3.95 3.86 2pm7B1 SER 121 HB3 -0.12 0.07 0.22 -0.04 3.93 4.05 2pm7B1 ASP 122 H -0.14 0.02 -0.86 -0.55 8.40 6.87 2pm7B1 ASP 122 HA -0.06 0.25 0.64 -0.75 4.63 4.71 2pm7B1 ASP 122 HB2 -0.02 0.09 0.10 -0.04 2.71 2.84 2pm7B1 ASP 122 HB3 -0.04 -0.06 -0.06 -0.04 2.70 2.50 2pm7B1 GLY 123 H -0.11 0.34 -0.19 -0.55 8.43 7.93 2pm7B1 GLY 123 HA2 -0.03 -0.09 0.16 -0.51 4.01 3.54 2pm7B1 GLY 123 HA3 -0.02 0.22 0.51 -0.51 4.01 4.21 2pm7B1 LYS 124 H -0.08 -0.03 -0.32 -0.55 8.42 7.43 2pm7B1 LYS 124 HA -0.05 0.18 1.11 -0.75 4.32 4.81 2pm7B1 LYS 124 HB2 0.11 -0.10 -0.09 -0.04 1.87 1.75 2pm7B1 LYS 124 HB3 0.05 0.09 -0.06 -0.04 1.79 1.83 2pm7B1 LYS 124 HG2 0.00 -0.00 -0.24 -0.04 1.46 1.18 2pm7B1 LYS 124 HG3 0.00 0.03 -0.30 -0.04 1.46 1.16 2pm7B1 LYS 124 HD2 0.06 -0.06 -0.09 -0.04 1.69 1.56 2pm7B1 LYS 124 HD3 0.02 0.03 -0.15 -0.04 1.68 1.54 2pm7B1 LYS 124 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.86 2pm7B1 LYS 124 HE3 0.01 0.06 -0.06 -0.04 2.99 2.95 2pm7B1 VAL 125 H -0.11 0.64 0.37 -0.55 8.24 8.59 2pm7B1 VAL 125 HA -0.19 0.23 1.06 -0.75 4.13 4.47 2pm7B1 VAL 125 HB -0.35 -0.02 0.05 -0.04 2.12 1.76 2pm7B1 VAL 125 HG13 -0.48 0.03 -0.23 -0.04 0.97 0.25 2pm7B1 VAL 125 HG23 -0.22 -0.01 -0.15 -0.04 0.95 0.52 2pm7B1 SER 126 H -0.06 0.64 0.30 -0.55 8.46 8.80 2pm7B1 SER 126 HA -0.06 0.46 1.17 -0.75 4.49 5.32 2pm7B1 SER 126 HB2 0.06 0.03 -0.08 -0.04 3.95 3.92 2pm7B1 SER 126 HB3 0.00 -0.07 -0.16 -0.04 3.93 3.67 2pm7B1 VAL 127 H -0.10 0.49 0.33 -0.55 8.24 8.41 2pm7B1 VAL 127 HA -0.19 0.33 0.99 -0.75 4.13 4.51 2pm7B1 VAL 127 HB -0.03 -0.09 0.13 -0.04 2.12 2.10 2pm7B1 VAL 127 HG13 0.15 0.02 -0.15 -0.04 0.97 0.94 2pm7B1 VAL 127 HG23 -0.37 -0.00 -0.17 -0.04 0.95 0.37 2pm7B1 VAL 128 H -0.20 0.81 0.24 -0.55 8.24 8.55 2pm7B1 VAL 128 HA -0.27 0.10 1.18 -0.75 4.13 4.38 2pm7B1 VAL 128 HB -0.55 0.05 0.04 -0.04 2.12 1.61 2pm7B1 VAL 128 HG13 -0.67 -0.02 -0.27 -0.04 0.97 -0.03 2pm7B1 VAL 128 HG23 -1.02 -0.03 -0.30 -0.04 0.95 -0.44 2pm7B1 GLU 129 H -0.23 0.18 0.08 -0.55 8.60 8.08 2pm7B1 GLU 129 HA -0.23 0.36 0.78 -0.75 4.29 4.45 2pm7B1 GLU 129 HB2 -0.05 0.03 -0.16 -0.04 2.09 1.86 2pm7B1 GLU 129 HB3 -0.07 -0.07 -0.01 -0.04 1.99 1.79 2pm7B1 GLU 129 HG2 0.00 0.02 -0.35 -0.04 2.34 1.98 2pm7B1 GLU 129 HG3 0.02 0.08 -0.02 -0.04 2.34 2.37 2pm7B1 PHE 130 H 0.02 0.28 0.10 -0.55 8.34 8.18 2pm7B1 PHE 130 HA 0.00 0.07 0.70 -0.75 4.62 4.64 2pm7B1 PHE 130 HB2 0.03 -0.01 0.10 -0.04 3.15 3.23 2pm7B1 PHE 130 HB3 0.02 0.12 0.02 -0.04 3.06 3.18 2pm7B1 PHE 130 HD2 0.05 0.08 -0.02 -0.04 7.28 7.34 2pm7B1 PHE 130 HE2 0.30 -0.03 -0.16 -0.04 7.38 7.45 2pm7B1 PHE 130 HZ 0.17 -0.05 -0.17 -0.04 7.32 7.23 2pm7B1 LYS 131 H 0.09 0.53 0.25 -0.55 8.42 8.73 2pm7B1 LYS 131 HA 0.05 0.07 0.33 -0.75 4.32 4.02 2pm7B1 LYS 131 HB2 0.06 0.12 0.02 -0.04 1.87 2.03 2pm7B1 LYS 131 HB3 0.04 -0.23 0.09 -0.04 1.79 1.66 2pm7B1 LYS 131 HG2 0.02 0.02 0.03 -0.04 1.46 1.50 2pm7B1 LYS 131 HG3 0.02 0.03 -0.02 -0.04 1.46 1.45 2pm7B1 LYS 131 HD2 0.02 -0.05 -0.15 -0.04 1.69 1.47 2pm7B1 LYS 131 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.59 2pm7B1 LYS 131 HE2 0.01 0.02 -0.02 -0.04 2.99 2.97 2pm7B1 LYS 131 HE3 0.01 0.02 -0.10 -0.04 2.99 2.87 2pm7B1 GLU 132 H 0.04 0.10 0.15 -0.55 8.60 8.35 2pm7B1 GLU 132 HA 0.05 0.18 0.41 -0.75 4.29 4.18 2pm7B1 GLU 132 HB2 0.03 -0.08 0.12 -0.04 2.09 2.12 2pm7B1 GLU 132 HB3 0.03 0.03 0.03 -0.04 1.99 2.03 2pm7B1 GLU 132 HG2 0.03 -0.01 0.08 -0.04 2.34 2.40 2pm7B1 GLU 132 HG3 0.03 -0.02 0.05 -0.04 2.34 2.35 2pm7B1 ASN 133 H 0.04 -0.05 -0.22 -0.55 8.53 7.74 2pm7B1 ASN 133 HA 0.02 0.19 0.64 -0.75 4.76 4.85 2pm7B1 ASN 133 HB2 0.02 0.04 0.07 -0.04 2.88 2.96 2pm7B1 ASN 133 HB3 0.02 -0.02 0.04 -0.04 2.79 2.79 2pm7B1 ASN 133 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 2pm7B1 ASN 133 HD22 0.02 -0.00 0.02 -0.04 7.74 7.74 2pm7B1 GLY 134 H 0.06 0.04 -0.33 -0.55 8.43 7.66 2pm7B1 GLY 134 HA2 0.05 0.11 0.25 -0.51 4.01 3.91 2pm7B1 GLY 134 HA3 0.03 0.18 0.78 -0.51 4.01 4.49 2pm7B1 THR 135 H 0.04 0.01 -0.07 -0.55 8.28 7.71 2pm7B1 THR 135 HA 0.06 0.11 0.37 -0.75 4.39 4.18 2pm7B1 THR 135 HB 0.03 0.05 0.10 -0.04 4.32 4.46 2pm7B1 THR 135 HG23 0.02 0.01 0.03 -0.04 1.22 1.24 2pm7B1 THR 136 H 0.04 0.19 0.20 -0.55 8.28 8.17 2pm7B1 THR 136 HA -0.00 0.17 1.09 -0.75 4.39 4.90 2pm7B1 THR 136 HB -0.12 0.01 -0.03 -0.04 4.32 4.13 2pm7B1 THR 136 HG23 0.07 0.02 -0.17 -0.04 1.22 1.10 2pm7B1 SER 137 H -0.04 0.27 0.10 -0.55 8.46 8.24 2pm7B1 SER 137 HA -0.01 0.18 0.89 -0.75 4.49 4.80 2pm7B1 SER 137 HB2 -0.00 -0.07 -0.00 -0.04 3.95 3.84 2pm7B1 SER 137 HB3 -0.01 -0.00 0.20 -0.04 3.93 4.07 2pm7B1 PRO 138 HA -0.08 0.20 0.63 -0.51 4.44 4.68 2pm7B1 PRO 138 HB2 -0.03 -0.00 -0.09 -0.04 2.28 2.12 2pm7B1 PRO 138 HB3 -0.21 -0.02 -0.03 -0.04 2.02 1.72 2pm7B1 PRO 138 HG2 0.03 0.01 -0.07 -0.04 2.03 1.96 2pm7B1 PRO 138 HG3 0.25 -0.03 -0.07 -0.04 2.03 2.14 2pm7B1 PRO 138 HD2 0.00 0.20 0.05 -0.04 3.68 3.90 2pm7B1 PRO 138 HD3 -0.04 0.01 -0.43 -0.04 3.65 3.15 2pm7B1 ILE 139 H -0.05 0.47 0.36 -0.55 8.25 8.48 2pm7B1 ILE 139 HA 0.02 0.17 0.87 -0.75 4.18 4.49 2pm7B1 ILE 139 HB 0.04 -0.10 0.16 -0.04 1.89 1.95 2pm7B1 ILE 139 HG12 0.01 0.05 0.07 -0.04 1.49 1.58 2pm7B1 ILE 139 HG13 0.07 -0.03 0.01 -0.04 1.21 1.22 2pm7B1 ILE 139 HG23 0.11 -0.00 -0.00 -0.04 0.93 1.00 2pm7B1 ILE 139 HD13 0.03 0.05 -0.17 -0.04 0.88 0.75 2pm7B1 ILE 140 H 0.01 0.25 0.18 -0.55 8.25 8.13 2pm7B1 ILE 140 HA -0.03 0.35 1.13 -0.75 4.18 4.89 2pm7B1 ILE 140 HB -0.02 -0.01 0.06 -0.04 1.89 1.88 2pm7B1 ILE 140 HG12 -0.07 -0.00 -0.28 -0.04 1.49 1.10 2pm7B1 ILE 140 HG13 -0.03 -0.03 -0.42 -0.04 1.21 0.68 2pm7B1 ILE 140 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 2pm7B1 ILE 140 HD13 -0.08 0.01 -0.10 -0.04 0.88 0.67 2pm7B1 ILE 141 H -0.07 0.62 0.32 -0.55 8.25 8.57 2pm7B1 ILE 141 HA -0.01 0.16 0.91 -0.75 4.18 4.48 2pm7B1 ILE 141 HB -0.06 0.07 0.00 -0.04 1.89 1.85 2pm7B1 ILE 141 HG12 -0.29 -0.00 -0.12 -0.04 1.49 1.03 2pm7B1 ILE 141 HG13 -0.28 -0.06 0.12 -0.04 1.21 0.96 2pm7B1 ILE 141 HG23 0.03 0.02 -0.25 -0.04 0.93 0.69 2pm7B1 ILE 141 HD13 -1.12 0.01 -0.39 -0.04 0.88 -0.66 2pm7B1 ASP 142 H 0.01 0.17 0.11 -0.55 8.40 8.15 2pm7B1 ASP 142 HA -0.01 0.05 0.55 -0.75 4.63 4.47 2pm7B1 ASP 142 HB2 0.05 -0.00 0.14 -0.04 2.71 2.85 2pm7B1 ASP 142 HB3 0.03 0.03 -0.02 -0.04 2.70 2.70 2pm7B1 ALA 143 H -0.02 0.55 0.41 -0.55 8.40 8.80 2pm7B1 ALA 143 HA 0.24 0.21 0.97 -0.75 4.34 5.01 2pm7B1 ALA 143 HB3 -0.13 -0.01 -0.11 -0.04 1.41 1.12 2pm7B1 HIS 144 H 0.09 0.52 0.22 -0.55 8.41 8.70 2pm7B1 HIS 144 HA 0.06 0.11 0.65 -0.75 4.63 4.70 2pm7B1 HIS 144 HB2 -0.03 -0.06 -0.27 -0.04 3.26 2.86 2pm7B1 HIS 144 HB3 -0.02 0.01 0.01 -0.04 3.20 3.16 2pm7B1 HIS 144 HD2 0.04 -0.04 -0.38 -0.04 6.97 6.54 2pm7B1 HIS 144 HE1 0.02 0.07 -0.40 -0.04 7.75 7.40 2pm7B1 ALA 145 H 0.10 0.10 0.11 -0.55 8.40 8.16 2pm7B1 ALA 145 HA 0.02 0.16 0.55 -0.75 4.34 4.32 2pm7B1 ALA 145 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 2pm7B1 ILE 146 H -0.01 0.16 0.05 -0.55 8.25 7.90 2pm7B1 ILE 146 HA -0.06 0.04 0.39 -0.75 4.18 3.80 2pm7B1 ILE 146 HB -0.15 -0.02 -0.08 -0.04 1.89 1.60 2pm7B1 ILE 146 HG12 0.01 -0.16 -0.66 -0.04 1.49 0.63 2pm7B1 ILE 146 HG13 0.04 0.14 -0.16 -0.04 1.21 1.18 2pm7B1 ILE 146 HG23 -0.14 0.02 -0.02 -0.04 0.93 0.75 2pm7B1 ILE 146 HD13 0.02 0.00 0.01 -0.04 0.88 0.87 2pm7B1 GLY 147 H -0.11 0.66 0.02 -0.55 8.43 8.46 2pm7B1 GLY 147 HA2 -0.13 -0.04 0.19 -0.51 4.01 3.52 2pm7B1 GLY 147 HA3 -0.23 0.13 0.50 -0.51 4.01 3.90 2pm7B1 VAL 148 H -0.17 0.46 0.08 -0.55 8.24 8.07 2pm7B1 VAL 148 HA -0.32 0.12 0.93 -0.75 4.13 4.10 2pm7B1 VAL 148 HB -0.16 -0.07 0.02 -0.04 2.12 1.88 2pm7B1 VAL 148 HG13 -0.11 0.00 -0.14 -0.04 0.97 0.69 2pm7B1 VAL 148 HG23 0.03 -0.03 -0.28 -0.04 0.95 0.63 2pm7B1 ASN 149 H -0.25 0.56 0.35 -0.55 8.53 8.64 2pm7B1 ASN 149 HA -0.18 0.08 0.70 -0.75 4.76 4.60 2pm7B1 ASN 149 HB2 -0.16 0.17 0.02 -0.04 2.88 2.86 2pm7B1 ASN 149 HB3 -0.13 0.12 0.10 -0.04 2.79 2.84 2pm7B1 ASN 149 HD21 -0.40 -0.14 -0.17 -0.04 7.03 6.28 2pm7B1 ASN 149 HD22 -0.18 0.44 -0.15 -0.04 7.74 7.81 2pm7B1 SER 150 H -0.14 0.25 0.14 -0.55 8.46 8.17 2pm7B1 SER 150 HA -0.08 0.15 0.55 -0.75 4.49 4.36 2pm7B1 SER 150 HB2 -0.05 0.36 -0.17 -0.04 3.95 4.05 2pm7B1 SER 150 HB3 -0.05 -0.14 -0.18 -0.04 3.93 3.52 2pm7B1 ALA 151 H -0.06 0.33 0.06 -0.55 8.40 8.17 2pm7B1 ALA 151 HA -0.02 0.34 0.74 -0.75 4.34 4.65 2pm7B1 ALA 151 HB3 -0.31 -0.00 -0.26 -0.04 1.41 0.80 2pm7B1 SER 152 H 0.09 0.63 0.28 -0.55 8.46 8.91 2pm7B1 SER 152 HA 0.04 0.16 0.90 -0.75 4.49 4.83 2pm7B1 SER 152 HB2 0.33 -0.09 -0.04 -0.04 3.95 4.10 2pm7B1 SER 152 HB3 0.26 0.04 0.17 -0.04 3.93 4.36 2pm7B1 TRP 153 H 0.34 0.17 0.14 -0.55 7.97 8.07 2pm7B1 TRP 153 HA 0.15 0.08 0.81 -0.75 4.62 4.91 2pm7B1 TRP 153 HB2 -0.02 -0.01 0.04 -0.04 3.23 3.20 2pm7B1 TRP 153 HB3 -0.05 0.17 0.05 -0.04 3.23 3.37 2pm7B1 TRP 153 HD1 -0.00 0.04 -0.23 -0.04 7.22 6.99 2pm7B1 TRP 153 HE1 -0.10 0.22 -0.18 -0.04 10.20 10.10 2pm7B1 TRP 153 HE3 0.29 0.15 -0.05 -0.04 7.59 7.94 2pm7B1 TRP 153 HZ2 -0.14 0.09 -0.28 -0.04 7.44 7.07 2pm7B1 TRP 153 HZ3 0.43 -0.04 -0.18 -0.04 7.13 7.30 2pm7B1 TRP 153 HH2 -0.00 -0.01 -0.16 -0.04 7.19 6.98 2pm7B1 ALA 154 H 0.04 0.73 0.39 -0.55 8.40 9.02 2pm7B1 ALA 154 HA -1.69 0.09 0.52 -0.75 4.34 2.51 2pm7B1 ALA 154 HB3 -1.36 -0.05 0.04 -0.04 1.41 0.00 2pm7B1 PRO 155 HA -0.05 -0.04 0.43 -0.51 4.44 4.26 2pm7B1 PRO 155 HB2 0.01 0.03 -0.02 -0.04 2.28 2.26 2pm7B1 PRO 155 HB3 0.03 0.00 0.16 -0.04 2.02 2.16 2pm7B1 PRO 155 HG2 0.11 0.22 0.09 -0.04 2.03 2.42 2pm7B1 PRO 155 HG3 0.05 -0.06 0.12 -0.04 2.03 2.09 2pm7B1 PRO 155 HD2 -0.35 0.03 0.15 -0.04 3.68 3.47 2pm7B1 PRO 155 HD3 -0.71 0.14 0.14 -0.04 3.65 3.18 2pm7B1 ALA 156 H -0.02 0.01 0.19 -0.55 8.40 8.03 2pm7B1 ALA 156 HA 0.25 0.11 0.52 -0.75 4.34 4.47 2pm7B1 ALA 156 HB3 0.09 -0.02 0.09 -0.04 1.41 1.53 2pm7B1 THR 157 H 0.09 0.15 0.08 -0.55 8.28 8.05 2pm7B1 THR 157 HA 0.05 0.15 0.20 -0.75 4.39 4.05 2pm7B1 THR 157 HB 0.02 -0.05 0.31 -0.04 4.32 4.56 2pm7B1 THR 157 HG23 0.03 -0.01 0.01 -0.04 1.22 1.21 2pm7B1 SER 170 HA 0.05 -0.02 0.21 -0.75 4.49 3.98 2pm7B1 SER 170 HB2 0.02 -0.02 -0.43 -0.04 3.95 3.48 2pm7B1 SER 170 HB3 0.01 -0.02 0.09 -0.04 3.93 3.97 2pm7B1 ARG 171 H 0.06 0.21 0.15 -0.55 8.46 8.34 2pm7B1 ARG 171 HA 0.17 0.14 0.79 -0.75 4.34 4.68 2pm7B1 ARG 171 HB2 0.09 -0.06 0.16 -0.04 1.90 2.05 2pm7B1 ARG 171 HB3 0.42 0.02 -0.04 -0.04 1.80 2.16 2pm7B1 ARG 171 HG2 -0.89 0.03 -0.04 -0.04 1.67 0.73 2pm7B1 ARG 171 HG3 -0.29 -0.02 -0.12 -0.04 1.67 1.19 2pm7B1 ARG 171 HD2 -0.19 -0.03 -0.04 -0.04 3.22 2.92 2pm7B1 ARG 171 HD3 -0.19 0.01 -0.05 -0.04 3.22 2.95 2pm7B1 LYS 172 H 0.28 0.28 0.23 -0.55 8.42 8.66 2pm7B1 LYS 172 HA 0.36 0.29 1.09 -0.75 4.32 5.30 2pm7B1 LYS 172 HB2 -0.05 -0.03 0.01 -0.04 1.87 1.76 2pm7B1 LYS 172 HB3 0.27 -0.02 0.06 -0.04 1.79 2.06 2pm7B1 LYS 172 HG2 0.20 0.04 -0.11 -0.04 1.46 1.54 2pm7B1 LYS 172 HG3 0.16 -0.03 -0.54 -0.04 1.46 1.00 2pm7B1 LYS 172 HD2 0.30 0.03 -0.12 -0.04 1.69 1.86 2pm7B1 LYS 172 HD3 0.47 -0.05 -0.14 -0.04 1.68 1.92 2pm7B1 LYS 172 HE2 0.18 -0.03 -0.15 -0.04 2.99 2.95 2pm7B1 LYS 172 HE3 0.16 0.01 -0.13 -0.04 2.99 2.99 2pm7B1 PHE 173 H 0.07 0.45 0.33 -0.55 8.34 8.64 2pm7B1 PHE 173 HA 0.13 0.11 0.77 -0.75 4.62 4.88 2pm7B1 PHE 173 HB2 -0.43 0.17 -0.12 -0.04 3.15 2.73 2pm7B1 PHE 173 HB3 -0.45 0.00 -0.23 -0.04 3.06 2.35 2pm7B1 PHE 173 HD2 -0.47 0.05 -0.48 -0.04 7.28 6.34 2pm7B1 PHE 173 HE2 -1.24 -0.02 -0.24 -0.04 7.38 5.84 2pm7B1 PHE 173 HZ -0.83 -0.01 -0.21 -0.04 7.32 6.23 2pm7B1 VAL 174 H 0.48 0.65 0.29 -0.55 8.24 9.11 2pm7B1 VAL 174 HA 0.30 0.32 1.15 -0.75 4.13 5.15 2pm7B1 VAL 174 HB 0.12 -0.04 -0.12 -0.04 2.12 2.04 2pm7B1 VAL 174 HG13 0.30 0.02 -0.18 -0.04 0.97 1.07 2pm7B1 VAL 174 HG23 -0.16 0.01 -0.22 -0.04 0.95 0.54 2pm7B1 THR 175 H 0.28 0.60 0.37 -0.55 8.28 8.98 2pm7B1 THR 175 HA 0.12 0.29 0.98 -0.75 4.39 5.03 2pm7B1 THR 175 HB 0.33 -0.02 0.02 -0.04 4.32 4.61 2pm7B1 THR 175 HG23 0.17 0.00 -0.22 -0.04 1.22 1.13 2pm7B1 GLY 176 H -0.06 0.50 0.22 -0.55 8.43 8.55 2pm7B1 GLY 176 HA2 -0.06 0.25 0.88 -0.51 4.01 4.56 2pm7B1 GLY 176 HA3 -0.08 0.02 0.15 -0.51 4.01 3.59 2pm7B1 GLY 177 H -0.26 0.45 0.26 -0.55 8.43 8.34 2pm7B1 GLY 177 HA2 -0.41 0.12 1.23 -0.51 4.01 4.45 2pm7B1 GLY 177 HA3 -0.68 0.05 0.46 -0.51 4.01 3.32 2pm7B1 ALA 178 H -0.31 0.82 0.33 -0.55 8.40 8.68 2pm7B1 ALA 178 HA -0.43 -0.01 0.58 -0.75 4.34 3.73 2pm7B1 ALA 178 HB3 -0.86 0.02 0.06 -0.04 1.41 0.60 2pm7B1 ASP 179 H -0.04 0.05 -0.58 -0.55 8.40 7.29 2pm7B1 ASP 179 HA 0.09 0.22 0.72 -0.75 4.63 4.91 2pm7B1 ASP 179 HB2 0.08 0.05 0.12 -0.04 2.71 2.91 2pm7B1 ASP 179 HB3 0.06 0.03 -0.01 -0.04 2.70 2.75 2pm7B1 ASN 180 H 0.08 0.23 -0.25 -0.55 8.53 8.05 2pm7B1 ASN 180 HA 0.12 0.07 0.07 -0.75 4.76 4.27 2pm7B1 ASN 180 HB2 0.10 0.23 0.10 -0.04 2.88 3.26 2pm7B1 ASN 180 HB3 0.13 -0.03 -0.17 -0.04 2.79 2.68 2pm7B1 ASN 180 HD21 0.08 0.03 -0.38 -0.04 7.03 6.71 2pm7B1 ASN 180 HD22 0.07 0.07 -0.28 -0.04 7.74 7.57 2pm7B1 LEU 181 H 0.10 -0.10 -0.49 -0.55 8.37 7.34 2pm7B1 LEU 181 HA 0.07 0.26 0.86 -0.75 4.35 4.79 2pm7B1 LEU 181 HB2 0.17 -0.09 -0.07 -0.04 1.64 1.60 2pm7B1 LEU 181 HB3 0.02 0.09 -0.07 -0.04 1.64 1.64 2pm7B1 LEU 181 HG 0.07 0.13 -0.23 -0.04 1.64 1.58 2pm7B1 LEU 181 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 2pm7B1 LEU 181 HD23 0.02 0.01 -0.15 -0.04 0.89 0.74 2pm7B1 VAL 182 H -0.09 0.58 0.32 -0.55 8.24 8.51 2pm7B1 VAL 182 HA -0.03 0.26 0.91 -0.75 4.13 4.52 2pm7B1 VAL 182 HB -0.60 -0.01 0.13 -0.04 2.12 1.61 2pm7B1 VAL 182 HG13 -0.63 0.01 -0.18 -0.04 0.97 0.14 2pm7B1 VAL 182 HG23 0.09 -0.01 -0.11 -0.04 0.95 0.89 2pm7B1 LYS 183 H 0.01 0.57 0.25 -0.55 8.42 8.69 2pm7B1 LYS 183 HA -0.36 0.23 1.11 -0.75 4.32 4.55 2pm7B1 LYS 183 HB2 0.14 -0.06 0.00 -0.04 1.87 1.92 2pm7B1 LYS 183 HB3 -0.63 0.06 -0.02 -0.04 1.79 1.17 2pm7B1 LYS 183 HG2 -0.30 0.01 0.01 -0.04 1.46 1.15 2pm7B1 LYS 183 HG3 -0.09 -0.14 -0.66 -0.04 1.46 0.54 2pm7B1 LYS 183 HD2 -0.75 0.02 -0.10 -0.04 1.69 0.82 2pm7B1 LYS 183 HD3 -0.28 0.03 -0.04 -0.04 1.68 1.35 2pm7B1 LYS 183 HE2 -0.18 -0.03 -0.07 -0.04 2.99 2.66 2pm7B1 LYS 183 HE3 -0.12 -0.13 -0.11 -0.04 2.99 2.59 2pm7B1 ILE 184 H -0.46 0.49 0.32 -0.55 8.25 8.05 2pm7B1 ILE 184 HA -0.05 0.21 0.91 -0.75 4.18 4.50 2pm7B1 ILE 184 HB -0.22 -0.10 0.11 -0.04 1.89 1.64 2pm7B1 ILE 184 HG12 -0.55 0.05 -0.14 -0.04 1.49 0.80 2pm7B1 ILE 184 HG13 -0.49 0.04 -0.17 -0.04 1.21 0.56 2pm7B1 ILE 184 HG23 0.24 0.01 -0.23 -0.04 0.93 0.91 2pm7B1 ILE 184 HD13 -1.03 -0.04 -0.21 -0.04 0.88 -0.43 2pm7B1 TRP 185 H 0.08 0.65 0.35 -0.55 7.97 8.51 2pm7B1 TRP 185 HA -0.13 0.18 1.00 -0.75 4.62 4.91 2pm7B1 TRP 185 HB2 -1.56 0.00 -0.01 -0.04 3.23 1.63 2pm7B1 TRP 185 HB3 -0.37 -0.03 -0.18 -0.04 3.23 2.60 2pm7B1 TRP 185 HD1 -0.27 0.22 -0.14 -0.04 7.22 7.00 2pm7B1 TRP 185 HE1 -0.05 -0.05 -0.17 -0.04 10.20 9.89 2pm7B1 TRP 185 HE3 -0.04 -0.00 -0.64 -0.04 7.59 6.87 2pm7B1 TRP 185 HZ2 -0.23 0.13 -0.00 -0.04 7.44 7.30 2pm7B1 TRP 185 HZ3 -0.02 -0.01 -0.06 -0.04 7.13 7.01 2pm7B1 TRP 185 HH2 -0.08 0.14 0.03 -0.04 7.19 7.24 2pm7B1 LYS 186 H 0.17 0.57 0.27 -0.55 8.42 8.88 2pm7B1 LYS 186 HA 0.19 0.36 1.01 -0.75 4.32 5.13 2pm7B1 LYS 186 HB2 0.10 -0.04 -0.17 -0.04 1.87 1.72 2pm7B1 LYS 186 HB3 0.04 -0.03 0.01 -0.04 1.79 1.77 2pm7B1 LYS 186 HG2 0.00 0.12 -0.16 -0.04 1.46 1.38 2pm7B1 LYS 186 HG3 0.08 0.08 0.00 -0.04 1.46 1.57 2pm7B1 LYS 186 HD2 0.07 -0.03 -0.09 -0.04 1.69 1.60 2pm7B1 LYS 186 HD3 0.02 -0.06 -0.08 -0.04 1.68 1.52 2pm7B1 LYS 186 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2pm7B1 LYS 186 HE3 0.05 0.08 -0.03 -0.04 2.99 3.05 2pm7B1 TYR 187 H -0.04 0.49 0.25 -0.55 8.29 8.44 2pm7B1 TYR 187 HA -0.55 0.05 0.56 -0.75 4.56 3.86 2pm7B1 TYR 187 HB2 -1.17 0.01 0.01 -0.04 3.06 1.87 2pm7B1 TYR 187 HB3 -0.30 -0.00 0.12 -0.04 2.98 2.76 2pm7B1 TYR 187 HD2 -0.25 -0.03 -0.33 -0.04 7.15 6.49 2pm7B1 TYR 187 HE2 -0.03 -0.01 -0.34 -0.04 6.85 6.43 2pm7B1 ASN 188 H -0.47 0.69 0.33 -0.55 8.53 8.53 2pm7B1 ASN 188 HA -0.34 0.16 0.92 -0.75 4.76 4.75 2pm7B1 ASN 188 HB2 -0.12 0.09 -0.06 -0.04 2.88 2.75 2pm7B1 ASN 188 HB3 -0.14 0.11 0.10 -0.04 2.79 2.82 2pm7B1 ASN 188 HD21 -0.07 -0.02 -0.07 -0.04 7.03 6.84 2pm7B1 ASN 188 HD22 -0.07 0.09 -0.04 -0.04 7.74 7.68 2pm7B1 SER 189 H -0.27 0.21 0.16 -0.55 8.46 8.01 2pm7B1 SER 189 HA -0.29 0.16 0.57 -0.75 4.49 4.17 2pm7B1 SER 189 HB2 -0.11 -0.05 0.19 -0.04 3.95 3.94 2pm7B1 SER 189 HB3 -0.08 0.05 0.03 -0.04 3.93 3.89 2pm7B1 ASP 190 H -0.10 0.13 0.06 -0.55 8.40 7.94 2pm7B1 ASP 190 HA -0.04 0.11 0.37 -0.75 4.63 4.31 2pm7B1 ASP 190 HB2 -0.05 -0.01 0.03 -0.04 2.71 2.64 2pm7B1 ASP 190 HB3 -0.03 0.05 0.15 -0.04 2.70 2.83 2pm7B1 ALA 191 H -0.11 -0.14 -1.43 -0.55 8.40 6.17 2pm7B1 ALA 191 HA -0.01 0.18 0.76 -0.75 4.34 4.52 2pm7B1 ALA 191 HB3 -0.03 0.00 -0.13 -0.04 1.41 1.22 2pm7B1 GLN 192 H -0.11 0.11 0.16 -0.55 8.47 8.09 2pm7B1 GLN 192 HA 0.16 -0.02 0.42 -0.75 4.36 4.17 2pm7B1 GLN 192 HB2 0.06 0.16 -0.20 -0.04 2.15 2.14 2pm7B1 GLN 192 HB3 0.11 -0.04 0.26 -0.04 2.02 2.32 2pm7B1 GLN 192 HG2 0.03 0.16 0.03 -0.04 2.40 2.57 2pm7B1 GLN 192 HG3 0.04 -0.04 -0.05 -0.04 2.39 2.30 2pm7B1 GLN 192 HE21 0.06 -0.03 0.02 -0.04 6.97 6.98 2pm7B1 GLN 192 HE22 0.04 -0.02 0.01 -0.04 7.69 7.69 2pm7B1 THR 193 H 0.04 0.32 -0.02 -0.55 8.28 8.07 2pm7B1 THR 193 HA 0.39 0.07 0.42 -0.75 4.39 4.51 2pm7B1 THR 193 HB 0.15 0.21 -0.15 -0.04 4.32 4.50 2pm7B1 THR 193 HG23 0.11 0.00 -0.37 -0.04 1.22 0.92 2pm7B1 TYR 194 H 0.49 0.16 0.04 -0.55 8.29 8.43 2pm7B1 TYR 194 HA 0.28 0.19 0.59 -0.75 4.56 4.87 2pm7B1 TYR 194 HB2 0.15 -0.02 -0.01 -0.04 3.06 3.14 2pm7B1 TYR 194 HB3 0.12 -0.00 -0.23 -0.04 2.98 2.82 2pm7B1 TYR 194 HD2 0.09 -0.04 -0.30 -0.04 7.15 6.86 2pm7B1 TYR 194 HE2 0.24 0.05 -0.27 -0.04 6.85 6.83 2pm7B1 VAL 195 H 0.19 0.76 0.35 -0.55 8.24 8.98 2pm7B1 VAL 195 HA 0.34 0.18 0.94 -0.75 4.13 4.82 2pm7B1 VAL 195 HB 0.04 0.02 0.01 -0.04 2.12 2.14 2pm7B1 VAL 195 HG13 0.07 0.01 -0.20 -0.04 0.97 0.81 2pm7B1 VAL 195 HG23 0.01 0.02 -0.07 -0.04 0.95 0.86 2pm7B1 LEU 196 H -0.02 0.13 0.11 -0.55 8.37 8.04 2pm7B1 LEU 196 HA -1.05 0.10 0.48 -0.75 4.35 3.13 2pm7B1 LEU 196 HB2 -0.65 0.03 0.09 -0.04 1.64 1.08 2pm7B1 LEU 196 HB3 -0.27 -0.02 0.12 -0.04 1.64 1.43 2pm7B1 LEU 196 HG -0.40 -0.02 -0.38 -0.04 1.64 0.80 2pm7B1 LEU 196 HD13 -1.07 0.04 -0.06 -0.04 0.93 -0.20 2pm7B1 LEU 196 HD23 -0.26 -0.01 -0.09 -0.04 0.89 0.49 2pm7B1 GLU 197 H -0.43 0.53 0.41 -0.55 8.60 8.56 2pm7B1 GLU 197 HA -0.11 0.16 0.84 -0.75 4.29 4.43 2pm7B1 GLU 197 HB2 -0.03 0.01 -0.05 -0.04 2.09 1.98 2pm7B1 GLU 197 HB3 -0.07 0.01 -0.06 -0.04 1.99 1.83 2pm7B1 GLU 197 HG2 0.04 -0.02 -0.27 -0.04 2.34 2.06 2pm7B1 GLU 197 HG3 0.01 -0.01 -0.00 -0.04 2.34 2.30 2pm7B1 SER 198 H -0.34 0.30 0.25 -0.55 8.46 8.13 2pm7B1 SER 198 HA -0.13 0.16 0.67 -0.75 4.49 4.43 2pm7B1 SER 198 HB2 -0.23 -0.09 -0.02 -0.04 3.95 3.57 2pm7B1 SER 198 HB3 -0.05 0.01 -0.03 -0.04 3.93 3.82 2pm7B1 THR 199 H -0.16 0.24 0.10 -0.55 8.28 7.92 2pm7B1 THR 199 HA -0.27 0.21 1.01 -0.75 4.39 4.58 2pm7B1 THR 199 HB -0.12 -0.02 0.16 -0.04 4.32 4.30 2pm7B1 THR 199 HG23 -0.10 -0.00 -0.15 -0.04 1.22 0.92 2pm7B1 LEU 200 H -0.38 0.80 0.26 -0.55 8.37 8.51 2pm7B1 LEU 200 HA -0.20 0.13 0.87 -0.75 4.35 4.39 2pm7B1 LEU 200 HB2 -1.15 -0.05 0.09 -0.04 1.64 0.48 2pm7B1 LEU 200 HB3 -1.89 0.04 -0.09 -0.04 1.64 -0.34 2pm7B1 LEU 200 HG -0.81 -0.01 -0.22 -0.04 1.64 0.57 2pm7B1 LEU 200 HD13 -1.81 0.01 -0.19 -0.04 0.93 -1.10 2pm7B1 LEU 200 HD23 -0.23 0.02 -0.21 -0.04 0.89 0.42 2pm7B1 GLU 201 H 0.08 0.22 0.20 -0.55 8.60 8.56 2pm7B1 GLU 201 HA 0.09 0.12 0.89 -0.75 4.29 4.64 2pm7B1 GLU 201 HB2 0.07 0.01 0.14 -0.04 2.09 2.26 2pm7B1 GLU 201 HB3 0.06 0.03 -0.02 -0.04 1.99 2.02 2pm7B1 GLU 201 HG2 0.03 0.03 -0.07 -0.04 2.34 2.29 2pm7B1 GLU 201 HG3 0.00 0.01 -0.18 -0.04 2.34 2.13 2pm7B1 GLY 202 H 0.12 0.01 0.25 -0.55 8.43 8.26 2pm7B1 GLY 202 HA2 -0.01 0.07 0.38 -0.51 4.01 3.94 2pm7B1 GLY 202 HA3 -0.03 0.03 0.25 -0.51 4.01 3.76 2pm7B1 HIS 203 H 0.11 0.06 0.25 -0.55 8.41 8.29 2pm7B1 HIS 203 HA 0.01 0.16 0.87 -0.75 4.63 4.92 2pm7B1 HIS 203 HB2 0.07 0.27 0.14 -0.04 3.26 3.69 2pm7B1 HIS 203 HB3 0.02 -0.03 0.11 -0.04 3.20 3.25 2pm7B1 HIS 203 HD2 0.14 0.06 -0.18 -0.04 6.97 6.95 2pm7B1 HIS 203 HE1 -0.07 -0.00 -0.39 -0.04 7.75 7.25 2pm7B1 SER 204 H 0.10 0.11 0.13 -0.55 8.46 8.25 2pm7B1 SER 204 HA 0.05 0.24 0.87 -0.75 4.49 4.90 2pm7B1 SER 204 HB2 -0.01 0.01 0.16 -0.04 3.95 4.07 2pm7B1 SER 204 HB3 0.01 0.04 -0.05 -0.04 3.93 3.90 2pm7B1 ASP 205 H 0.06 0.23 0.02 -0.55 8.40 8.16 2pm7B1 ASP 205 HA -0.06 0.16 0.46 -0.75 4.63 4.43 2pm7B1 ASP 205 HB2 -0.12 0.06 -0.37 -0.04 2.71 2.24 2pm7B1 ASP 205 HB3 -0.16 -0.15 -0.22 -0.04 2.70 2.13 2pm7B1 TRP 206 H -0.11 0.17 0.08 -0.55 7.97 7.57 2pm7B1 TRP 206 HA -0.10 -0.01 0.37 -0.75 4.62 4.13 2pm7B1 TRP 206 HB2 -0.17 -0.06 0.01 -0.04 3.23 2.97 2pm7B1 TRP 206 HB3 -0.14 0.12 -0.07 -0.04 3.23 3.10 2pm7B1 TRP 206 HD1 -0.06 -0.02 0.02 -0.04 7.22 7.12 2pm7B1 TRP 206 HE1 -0.03 0.06 0.07 -0.04 10.20 10.26 2pm7B1 TRP 206 HE3 -0.10 0.00 -0.03 -0.04 7.59 7.42 2pm7B1 TRP 206 HZ2 -0.03 0.01 0.03 -0.04 7.44 7.41 2pm7B1 TRP 206 HZ3 -0.03 0.02 -0.00 -0.04 7.13 7.08 2pm7B1 TRP 206 HH2 -0.02 0.01 0.01 -0.04 7.19 7.15 2pm7B1 VAL 207 H 0.00 0.56 0.22 -0.55 8.24 8.48 2pm7B1 VAL 207 HA -0.22 0.11 0.82 -0.75 4.13 4.08 2pm7B1 VAL 207 HB -0.09 -0.11 0.10 -0.04 2.12 1.98 2pm7B1 VAL 207 HG13 -0.06 0.01 -0.18 -0.04 0.97 0.70 2pm7B1 VAL 207 HG23 0.04 -0.02 -0.21 -0.04 0.95 0.72 2pm7B1 ARG 208 H -0.20 0.47 0.29 -0.55 8.46 8.47 2pm7B1 ARG 208 HA -0.09 0.07 0.59 -0.75 4.34 4.16 2pm7B1 ARG 208 HB2 -0.24 0.05 -0.02 -0.04 1.90 1.64 2pm7B1 ARG 208 HB3 -0.02 0.12 0.01 -0.04 1.80 1.87 2pm7B1 ARG 208 HG2 -0.28 -0.16 -0.19 -0.04 1.67 1.00 2pm7B1 ARG 208 HG3 -0.85 0.07 -0.09 -0.04 1.67 0.77 2pm7B1 ARG 208 HD2 0.16 0.08 -0.02 -0.04 3.22 3.40 2pm7B1 ARG 208 HD3 -0.02 0.00 -0.11 -0.04 3.22 3.06 2pm7B1 ASP 209 H -0.10 0.25 0.11 -0.55 8.40 8.11 2pm7B1 ASP 209 HA -0.03 0.17 0.62 -0.75 4.63 4.64 2pm7B1 ASP 209 HB2 0.00 0.36 -0.28 -0.04 2.71 2.75 2pm7B1 ASP 209 HB3 -0.03 -0.17 -0.25 -0.04 2.70 2.21 2pm7B1 VAL 210 H 0.03 0.33 0.08 -0.55 8.24 8.13 2pm7B1 VAL 210 HA 0.06 0.34 0.89 -0.75 4.13 4.67 2pm7B1 VAL 210 HB 0.05 0.06 -0.22 -0.04 2.12 1.96 2pm7B1 VAL 210 HG13 0.00 -0.01 -0.40 -0.04 0.97 0.52 2pm7B1 VAL 210 HG23 0.05 -0.04 -0.40 -0.04 0.95 0.53 2pm7B1 ALA 211 H 0.19 0.88 0.23 -0.55 8.40 9.15 2pm7B1 ALA 211 HA 0.29 0.09 0.88 -0.75 4.34 4.85 2pm7B1 ALA 211 HB3 0.22 -0.00 -0.13 -0.04 1.41 1.46 2pm7B1 TRP 212 H 0.52 0.13 0.05 -0.55 7.97 8.12 2pm7B1 TRP 212 HA 0.24 0.17 0.80 -0.75 4.62 5.08 2pm7B1 TRP 212 HB2 0.18 -0.14 -0.15 -0.04 3.23 3.07 2pm7B1 TRP 212 HB3 0.21 0.23 0.04 -0.04 3.23 3.67 2pm7B1 TRP 212 HD1 0.11 0.33 -0.10 -0.04 7.22 7.52 2pm7B1 TRP 212 HE1 0.24 -0.02 0.01 -0.04 10.20 10.39 2pm7B1 TRP 212 HE3 0.12 -0.05 -0.24 -0.04 7.59 7.38 2pm7B1 TRP 212 HZ2 0.40 0.01 -0.09 -0.04 7.44 7.72 2pm7B1 TRP 212 HZ3 0.07 -0.08 -0.31 -0.04 7.13 6.78 2pm7B1 TRP 212 HH2 0.30 -0.02 -0.15 -0.04 7.19 7.28 2pm7B1 SER 213 H -0.05 0.56 0.29 -0.55 8.46 8.71 2pm7B1 SER 213 HA -0.34 0.03 0.40 -0.75 4.49 3.82 2pm7B1 SER 213 HB2 -2.78 -0.02 0.04 -0.04 3.95 1.15 2pm7B1 SER 213 HB3 -0.48 0.03 0.16 -0.04 3.93 3.60 2pm7B1 PRO 214 HA 0.11 0.14 0.56 -0.51 4.44 4.75 2pm7B1 PRO 214 HB2 0.11 -0.03 0.07 -0.04 2.28 2.40 2pm7B1 PRO 214 HB3 0.15 0.04 0.13 -0.04 2.02 2.30 2pm7B1 PRO 214 HG2 0.11 -0.04 0.03 -0.04 2.03 2.09 2pm7B1 PRO 214 HG3 0.18 0.06 0.01 -0.04 2.03 2.25 2pm7B1 PRO 214 HD2 0.09 -0.03 0.20 -0.04 3.68 3.90 2pm7B1 PRO 214 HD3 0.25 0.20 0.19 -0.04 3.65 4.25 2pm7B1 THR 215 H -0.00 -0.02 -0.23 -0.55 8.28 7.49 2pm7B1 THR 215 HA 0.05 -0.07 0.35 -0.75 4.39 3.97 2pm7B1 THR 215 HB -0.06 -0.07 0.06 -0.04 4.32 4.21 2pm7B1 THR 215 HG23 0.12 0.06 -0.13 -0.04 1.22 1.23 2pm7B1 VAL 216 H 0.07 -0.02 0.21 -0.55 8.24 7.94 2pm7B1 VAL 216 HA 0.09 0.32 0.80 -0.75 4.13 4.58 2pm7B1 VAL 216 HB 0.06 -0.10 0.06 -0.04 2.12 2.10 2pm7B1 VAL 216 HG13 0.06 -0.00 0.10 -0.04 0.97 1.09 2pm7B1 VAL 216 HG23 0.06 0.01 0.06 -0.04 0.95 1.04 2pm7B1 LEU 217 H 0.09 -0.10 -0.13 -0.55 8.37 7.69 2pm7B1 LEU 217 HA 0.07 -0.00 0.37 -0.75 4.35 4.03 2pm7B1 LEU 217 HB2 0.14 0.10 -0.02 -0.04 1.64 1.81 2pm7B1 LEU 217 HB3 0.10 -0.08 0.05 -0.04 1.64 1.67 2pm7B1 LEU 217 HG 0.06 -0.08 0.05 -0.04 1.64 1.63 2pm7B1 LEU 217 HD13 0.06 0.01 -0.01 -0.04 0.93 0.94 2pm7B1 LEU 217 HD23 0.05 0.01 0.02 -0.04 0.89 0.93 2pm7B1 LEU 218 H 0.06 0.01 0.13 -0.55 8.37 8.02 2pm7B1 LEU 218 HA 0.04 0.06 0.36 -0.75 4.35 4.06 2pm7B1 LEU 218 HB2 0.03 -0.11 0.14 -0.04 1.64 1.66 2pm7B1 LEU 218 HB3 0.01 0.07 0.10 -0.04 1.64 1.77 2pm7B1 LEU 218 HG 0.04 -0.08 0.17 -0.04 1.64 1.73 2pm7B1 LEU 218 HD13 0.02 -0.01 0.05 -0.04 0.93 0.95 2pm7B1 LEU 218 HD23 0.02 0.01 0.07 -0.04 0.89 0.96 2pm7B1 ARG 219 H 0.06 -0.10 -0.16 -0.55 8.46 7.71 2pm7B1 ARG 219 HA -0.07 0.23 0.51 -0.75 4.34 4.25 2pm7B1 ARG 219 HB2 -0.05 -0.07 0.01 -0.04 1.90 1.75 2pm7B1 ARG 219 HB3 0.05 -0.07 -0.04 -0.04 1.80 1.70 2pm7B1 ARG 219 HG2 -0.69 0.16 -0.41 -0.04 1.67 0.69 2pm7B1 ARG 219 HG3 -0.27 -0.10 -0.28 -0.04 1.67 0.98 2pm7B1 ARG 219 HD2 -0.18 -0.03 -0.13 -0.04 3.22 2.84 2pm7B1 ARG 219 HD3 -0.42 0.02 -0.13 -0.04 3.22 2.64 2pm7B1 SER 220 H -0.13 0.43 0.24 -0.55 8.46 8.46 2pm7B1 SER 220 HA 0.27 0.23 0.66 -0.75 4.49 4.90 2pm7B1 SER 220 HB2 -0.12 -0.10 0.10 -0.04 3.95 3.78 2pm7B1 SER 220 HB3 0.47 0.00 -0.03 -0.04 3.93 4.33 2pm7B1 TYR 221 H 0.30 0.31 0.09 -0.55 8.29 8.44 2pm7B1 TYR 221 HA 0.17 0.42 0.86 -0.75 4.56 5.26 2pm7B1 TYR 221 HB2 -0.42 -0.06 0.06 -0.04 3.06 2.60 2pm7B1 TYR 221 HB3 -0.19 0.02 0.04 -0.04 2.98 2.80 2pm7B1 TYR 221 HD2 0.25 0.06 -0.20 -0.04 7.15 7.22 2pm7B1 TYR 221 HE2 0.17 -0.01 -0.15 -0.04 6.85 6.82 2pm7B1 ALA 223 HA 0.21 0.10 0.44 -0.75 4.34 4.33 2pm7B1 ALA 223 HB3 -0.07 -0.04 -0.05 -0.04 1.41 1.20 2pm7B1 SER 224 H 0.19 0.48 0.29 -0.55 8.46 8.88 2pm7B1 SER 224 HA 0.10 0.30 1.05 -0.75 4.49 5.18 2pm7B1 SER 224 HB2 0.26 0.02 0.02 -0.04 3.95 4.20 2pm7B1 SER 224 HB3 0.31 0.01 -0.06 -0.04 3.93 4.16 2pm7B1 VAL 225 H -0.06 0.78 0.29 -0.55 8.24 8.70 2pm7B1 VAL 225 HA -0.18 0.19 0.96 -0.75 4.13 4.35 2pm7B1 VAL 225 HB -0.12 0.03 -0.26 -0.04 2.12 1.73 2pm7B1 VAL 225 HG13 -0.20 -0.07 -0.57 -0.04 0.97 0.08 2pm7B1 VAL 225 HG23 -0.22 0.03 -0.21 -0.04 0.95 0.50 2pm7B1 SER 226 H -0.31 0.38 0.31 -0.55 8.46 8.29 2pm7B1 SER 226 HA -0.34 0.11 1.26 -0.75 4.49 4.77 2pm7B1 SER 226 HB2 -1.19 0.07 -0.16 -0.04 3.95 2.63 2pm7B1 SER 226 HB3 -0.52 -0.05 0.05 -0.04 3.93 3.38 2pm7B1 GLN 227 H -0.23 0.96 0.26 -0.55 8.47 8.92 2pm7B1 GLN 227 HA -0.42 0.06 0.46 -0.75 4.36 3.71 2pm7B1 GLN 227 HB2 -0.16 0.05 0.07 -0.04 2.15 2.08 2pm7B1 GLN 227 HB3 -0.23 -0.08 -0.02 -0.04 2.02 1.65 2pm7B1 GLN 227 HG2 -0.57 -0.03 0.03 -0.04 2.40 1.78 2pm7B1 GLN 227 HG3 -0.32 0.01 0.09 -0.04 2.39 2.13 2pm7B1 GLN 227 HE21 -0.09 0.02 0.03 -0.04 6.97 6.89 2pm7B1 GLN 227 HE22 -0.23 -0.00 0.06 -0.04 7.69 7.47 2pm7B1 ASP 228 H -0.19 0.06 -0.44 -0.55 8.40 7.29 2pm7B1 ASP 228 HA -0.12 0.21 0.54 -0.75 4.63 4.50 2pm7B1 ASP 228 HB2 -0.03 0.09 0.08 -0.04 2.71 2.82 2pm7B1 ASP 228 HB3 -0.05 -0.08 -0.05 -0.04 2.70 2.48 2pm7B1 ARG 229 H -0.18 0.30 -0.44 -0.55 8.46 7.58 2pm7B1 ARG 229 HA -0.12 0.03 0.28 -0.75 4.34 3.78 2pm7B1 ARG 229 HB2 -0.02 0.29 0.05 -0.04 1.90 2.18 2pm7B1 ARG 229 HB3 0.05 -0.05 0.17 -0.04 1.80 1.93 2pm7B1 ARG 229 HG2 -0.06 -0.06 -0.71 -0.04 1.67 0.80 2pm7B1 ARG 229 HG3 -0.09 0.01 -0.44 -0.04 1.67 1.10 2pm7B1 ARG 229 HD2 0.01 0.33 -0.21 -0.04 3.22 3.31 2pm7B1 ARG 229 HD3 -0.02 -0.06 -0.16 -0.04 3.22 2.93 2pm7B1 THR 230 H -0.07 0.03 -0.09 -0.55 8.28 7.60 2pm7B1 THR 230 HA 0.09 0.25 0.98 -0.75 4.39 4.96 2pm7B1 THR 230 HB 0.01 0.04 0.01 -0.04 4.32 4.34 2pm7B1 THR 230 HG23 0.02 0.05 -0.24 -0.04 1.22 1.01 2pm7B1 CYS 231 H -0.04 0.24 0.20 -0.55 8.50 8.35 2pm7B1 CYS 231 HA -0.10 0.31 0.98 -0.75 4.58 5.02 2pm7B1 CYS 231 HB2 -0.35 0.00 -0.03 -0.04 2.97 2.55 2pm7B1 CYS 231 HB3 -0.29 -0.08 0.11 -0.04 2.97 2.67 2pm7B1 ILE 232 H -0.02 0.59 0.23 -0.55 8.25 8.50 2pm7B1 ILE 232 HA -0.31 0.18 0.92 -0.75 4.18 4.21 2pm7B1 ILE 232 HB -0.30 -0.01 -0.03 -0.04 1.89 1.51 2pm7B1 ILE 232 HG12 -0.45 0.00 -0.20 -0.04 1.49 0.81 2pm7B1 ILE 232 HG13 -0.25 -0.09 -0.51 -0.04 1.21 0.33 2pm7B1 ILE 232 HG23 -1.53 -0.03 -0.37 -0.04 0.93 -1.05 2pm7B1 ILE 232 HD13 -0.80 0.04 -0.25 -0.04 0.88 -0.17 2pm7B1 ILE 233 H -0.29 0.70 0.17 -0.55 8.25 8.28 2pm7B1 ILE 233 HA 0.03 0.14 0.94 -0.75 4.18 4.54 2pm7B1 ILE 233 HB 0.05 0.08 0.13 -0.04 1.89 2.12 2pm7B1 ILE 233 HG12 -1.51 -0.00 -0.10 -0.04 1.49 -0.16 2pm7B1 ILE 233 HG13 -0.42 0.02 -0.10 -0.04 1.21 0.67 2pm7B1 ILE 233 HG23 0.57 0.01 -0.17 -0.04 0.93 1.30 2pm7B1 ILE 233 HD13 -0.59 -0.05 -0.27 -0.04 0.88 -0.07 2pm7B1 TRP 234 H 0.38 0.23 0.10 -0.55 7.97 8.13 2pm7B1 TRP 234 HA 0.13 0.38 0.85 -0.75 4.62 5.22 2pm7B1 TRP 234 HB2 -0.12 0.00 -0.03 -0.04 3.23 3.04 2pm7B1 TRP 234 HB3 0.15 0.00 -0.15 -0.04 3.23 3.19 2pm7B1 TRP 234 HD1 -0.07 0.10 -0.13 -0.04 7.22 7.07 2pm7B1 TRP 234 HE1 -0.05 -0.04 -0.15 -0.04 10.20 9.92 2pm7B1 TRP 234 HE3 0.09 0.07 -0.41 -0.04 7.59 7.29 2pm7B1 TRP 234 HZ2 -0.18 -0.04 -0.30 -0.04 7.44 6.88 2pm7B1 TRP 234 HZ3 -0.01 0.07 -0.12 -0.04 7.13 7.03 2pm7B1 TRP 234 HH2 -0.09 0.11 -0.58 -0.04 7.19 6.59 2pm7B1 THR 235 H 0.30 0.45 0.25 -0.55 8.28 8.74 2pm7B1 THR 235 HA 0.07 0.45 1.01 -0.75 4.39 5.17 2pm7B1 THR 235 HB -0.26 -0.05 -0.02 -0.04 4.32 3.95 2pm7B1 THR 235 HG23 -0.17 0.00 -0.24 -0.04 1.22 0.77 2pm7B1 GLN 236 H -0.33 0.48 0.14 -0.55 8.47 8.21 2pm7B1 GLN 236 HA -0.42 0.21 0.78 -0.75 4.36 4.17 2pm7B1 GLN 236 HB2 -2.16 0.01 -0.28 -0.04 2.15 -0.32 2pm7B1 GLN 236 HB3 -1.16 -0.03 0.01 -0.04 2.02 0.79 2pm7B1 GLN 236 HG2 -0.44 -0.15 -0.34 -0.04 2.40 1.43 2pm7B1 GLN 236 HG3 -0.60 0.12 -0.21 -0.04 2.39 1.66 2pm7B1 GLN 236 HE21 -0.27 -0.10 -0.11 -0.04 6.97 6.46 2pm7B1 GLN 236 HE22 -0.49 0.49 -0.07 -0.04 7.69 7.58 2pm7B1 ASP 237 H -0.20 0.19 0.08 -0.55 8.40 7.93 2pm7B1 ASP 237 HA -0.12 0.02 0.38 -0.75 4.63 4.16 2pm7B1 ASP 237 HB2 -0.10 -0.03 0.08 -0.04 2.71 2.62 2pm7B1 ASP 237 HB3 -0.07 -0.01 0.00 -0.04 2.70 2.59 2pm7B1 ASN 238 H -0.17 0.24 -0.06 -0.55 8.53 7.99 2pm7B1 ASN 238 HA -0.07 0.25 0.37 -0.75 4.76 4.56 2pm7B1 ASN 238 HB2 -0.04 -0.10 0.15 -0.04 2.88 2.85 2pm7B1 ASN 238 HB3 -0.04 0.24 0.06 -0.04 2.79 3.01 2pm7B1 ASN 238 HD21 -0.05 0.02 -0.13 -0.04 7.03 6.83 2pm7B1 ASN 238 HD22 -0.04 0.13 -0.29 -0.04 7.74 7.50 2pm7B1 GLU 239 H -0.04 0.19 0.12 -0.55 8.60 8.32 2pm7B1 GLU 239 HA -0.05 0.13 0.32 -0.75 4.29 3.94 2pm7B1 GLU 239 HB2 -0.02 -0.04 0.00 -0.04 2.09 2.00 2pm7B1 GLU 239 HB3 -0.00 0.05 0.06 -0.04 1.99 2.05 2pm7B1 GLU 239 HG2 0.02 0.08 0.04 -0.04 2.34 2.44 2pm7B1 GLU 239 HG3 -0.00 -0.06 0.13 -0.04 2.34 2.36 2pm7B1 GLN 240 H -0.05 -0.06 -0.44 -0.55 8.47 7.38 2pm7B1 GLN 240 HA -0.04 0.18 0.65 -0.75 4.36 4.40 2pm7B1 GLN 240 HB2 -0.04 -0.06 -0.02 -0.04 2.15 2.00 2pm7B1 GLN 240 HB3 -0.03 0.01 0.01 -0.04 2.02 1.97 2pm7B1 GLN 240 HG2 -0.02 0.04 -0.02 -0.04 2.40 2.36 2pm7B1 GLN 240 HG3 -0.02 -0.06 -0.13 -0.04 2.39 2.14 2pm7B1 GLN 240 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.88 2pm7B1 GLN 240 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.62 2pm7B1 GLY 241 H -0.11 0.27 -0.19 -0.55 8.43 7.85 2pm7B1 GLY 241 HA2 -0.08 0.10 0.58 -0.51 4.01 4.10 2pm7B1 GLY 241 HA3 -0.13 -0.14 0.33 -0.51 4.01 3.56 2pm7B1 PRO 242 HA -0.05 0.13 0.55 -0.51 4.44 4.56 2pm7B1 PRO 242 HB2 0.06 0.05 0.02 -0.04 2.28 2.36 2pm7B1 PRO 242 HB3 0.01 0.03 0.07 -0.04 2.02 2.09 2pm7B1 PRO 242 HG2 0.00 0.01 -0.09 -0.04 2.03 1.91 2pm7B1 PRO 242 HG3 0.00 0.02 0.04 -0.04 2.03 2.05 2pm7B1 PRO 242 HD2 -0.06 0.01 0.22 -0.04 3.68 3.81 2pm7B1 PRO 242 HD3 -0.04 0.17 0.20 -0.04 3.65 3.95 2pm7B1 TRP 243 H 0.25 0.11 0.07 -0.55 7.97 7.86 2pm7B1 TRP 243 HA 0.06 0.29 0.65 -0.75 4.62 4.86 2pm7B1 TRP 243 HB2 0.01 -0.06 0.09 -0.04 3.23 3.23 2pm7B1 TRP 243 HB3 0.20 -0.01 -0.12 -0.04 3.23 3.26 2pm7B1 TRP 243 HD1 -0.09 -0.03 -0.08 -0.04 7.22 6.98 2pm7B1 TRP 243 HE1 -0.06 0.01 -0.15 -0.04 10.20 9.96 2pm7B1 TRP 243 HE3 0.06 -0.03 -0.48 -0.04 7.59 7.10 2pm7B1 TRP 243 HZ2 -0.03 0.01 -0.17 -0.04 7.44 7.22 2pm7B1 TRP 243 HZ3 -0.22 0.12 -0.47 -0.04 7.13 6.52 2pm7B1 TRP 243 HH2 -0.51 0.02 -0.20 -0.04 7.19 6.46 2pm7B1 LYS 244 H 0.17 0.65 0.31 -0.55 8.42 8.99 2pm7B1 LYS 244 HA 0.14 0.06 0.69 -0.75 4.32 4.45 2pm7B1 LYS 244 HB2 0.05 0.02 0.15 -0.04 1.87 2.04 2pm7B1 LYS 244 HB3 0.03 0.04 -0.03 -0.04 1.79 1.79 2pm7B1 LYS 244 HG2 0.03 -0.02 -0.02 -0.04 1.46 1.40 2pm7B1 LYS 244 HG3 0.02 0.08 -0.12 -0.04 1.46 1.40 2pm7B1 LYS 244 HD2 -0.02 -0.02 -0.00 -0.04 1.69 1.60 2pm7B1 LYS 244 HD3 -0.00 0.01 -0.02 -0.04 1.68 1.63 2pm7B1 LYS 244 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 2pm7B1 LYS 244 HE3 -0.02 0.01 0.01 -0.04 2.99 2.94 2pm7B1 LYS 245 H -0.02 0.13 0.18 -0.55 8.42 8.15 2pm7B1 LYS 245 HA -0.65 0.13 0.62 -0.75 4.32 3.67 2pm7B1 LYS 245 HB2 -0.64 0.04 0.00 -0.04 1.87 1.23 2pm7B1 LYS 245 HB3 -0.20 -0.02 0.17 -0.04 1.79 1.70 2pm7B1 LYS 245 HG2 -0.34 -0.05 -0.37 -0.04 1.46 0.67 2pm7B1 LYS 245 HG3 -0.80 -0.04 -0.14 -0.04 1.46 0.44 2pm7B1 LYS 245 HD2 -0.29 0.06 0.03 -0.04 1.69 1.45 2pm7B1 LYS 245 HD3 -0.17 -0.01 0.02 -0.04 1.68 1.47 2pm7B1 LYS 245 HE2 -0.19 -0.06 -0.06 -0.04 2.99 2.65 2pm7B1 LYS 245 HE3 -0.31 -0.01 -0.07 -0.04 2.99 2.56 2pm7B1 THR 246 H -0.36 0.34 0.13 -0.55 8.28 7.83 2pm7B1 THR 246 HA -0.08 0.12 0.86 -0.75 4.39 4.53 2pm7B1 THR 246 HB 0.10 0.05 0.15 -0.04 4.32 4.58 2pm7B1 THR 246 HG23 0.17 0.04 -0.11 -0.04 1.22 1.29 2pm7B1 LEU 247 H -0.11 0.13 0.04 -0.55 8.37 7.88 2pm7B1 LEU 247 HA -0.18 0.10 0.54 -0.75 4.35 4.06 2pm7B1 LEU 247 HB2 -0.07 -0.05 0.03 -0.04 1.64 1.51 2pm7B1 LEU 247 HB3 -0.08 0.18 -0.07 -0.04 1.64 1.63 2pm7B1 LEU 247 HG -0.15 -0.06 0.00 -0.04 1.64 1.40 2pm7B1 LEU 247 HD13 -0.06 0.02 -0.01 -0.04 0.93 0.84 2pm7B1 LEU 247 HD23 -0.10 0.03 -0.02 -0.04 0.89 0.76 2pm7B1 LEU 248 H -0.21 0.65 0.35 -0.55 8.37 8.61 2pm7B1 LEU 248 HA -0.32 0.03 0.36 -0.75 4.35 3.66 2pm7B1 LEU 248 HB2 -0.46 -0.01 0.03 -0.04 1.64 1.16 2pm7B1 LEU 248 HB3 -0.35 -0.04 0.07 -0.04 1.64 1.28 2pm7B1 LEU 248 HG -1.42 0.00 -0.16 -0.04 1.64 0.03 2pm7B1 LEU 248 HD13 -0.80 -0.00 -0.06 -0.04 0.93 0.03 2pm7B1 LEU 248 HD23 -1.16 -0.01 -0.12 -0.04 0.89 -0.44 2pm7B1 LYS 249 H -0.12 0.23 -0.13 -0.55 8.42 7.84 2pm7B1 LYS 249 HA -0.02 0.14 0.55 -0.75 4.32 4.23 2pm7B1 LYS 249 HB2 -0.04 -0.07 0.10 -0.04 1.87 1.82 2pm7B1 LYS 249 HB3 -0.21 0.06 -0.22 -0.04 1.79 1.38 2pm7B1 LYS 249 HG2 -0.28 -0.10 -0.06 -0.04 1.46 0.97 2pm7B1 LYS 249 HG3 -0.20 0.19 -0.20 -0.04 1.46 1.21 2pm7B1 LYS 249 HD2 -0.18 -0.07 -0.05 -0.04 1.69 1.36 2pm7B1 LYS 249 HD3 -0.43 -0.05 -0.10 -0.04 1.68 1.06 2pm7B1 LYS 249 HE2 -1.60 -0.07 -0.20 -0.04 2.99 1.08 2pm7B1 LYS 249 HE3 -0.41 0.20 -0.25 -0.04 2.99 2.49 2pm7B1 GLU 250 H -0.02 0.13 0.11 -0.55 8.60 8.27 2pm7B1 GLU 250 HA -0.03 0.08 0.40 -0.75 4.29 3.99 2pm7B1 GLU 250 HB2 -0.01 -0.03 0.13 -0.04 2.09 2.14 2pm7B1 GLU 250 HB3 -0.02 0.01 0.02 -0.04 1.99 1.96 2pm7B1 GLU 250 HG2 -0.01 0.02 0.04 -0.04 2.34 2.34 2pm7B1 GLU 250 HG3 0.00 0.00 0.03 -0.04 2.34 2.33 2pm7B1 GLU 251 H -0.07 0.02 -0.16 -0.55 8.60 7.84 2pm7B1 GLU 251 HA -0.04 0.13 0.81 -0.75 4.29 4.44 2pm7B1 GLU 251 HB2 -0.10 0.05 -0.01 -0.04 2.09 1.99 2pm7B1 GLU 251 HB3 -0.05 0.03 0.07 -0.04 1.99 2.00 2pm7B1 GLU 251 HG2 -0.03 0.02 -0.01 -0.04 2.34 2.27 2pm7B1 GLU 251 HG3 -0.03 -0.01 -0.14 -0.04 2.34 2.12 2pm7B1 LYS 252 H -0.03 0.04 0.14 -0.55 8.42 8.01 2pm7B1 LYS 252 HA 0.04 0.10 0.45 -0.75 4.32 4.15 2pm7B1 LYS 252 HB2 -0.00 -0.07 0.07 -0.04 1.87 1.82 2pm7B1 LYS 252 HB3 0.03 0.13 0.12 -0.04 1.79 2.03 2pm7B1 LYS 252 HG2 0.00 0.01 -0.01 -0.04 1.46 1.42 2pm7B1 LYS 252 HG3 -0.01 -0.08 0.08 -0.04 1.46 1.41 2pm7B1 LYS 252 HD2 -0.01 -0.06 0.02 -0.04 1.69 1.60 2pm7B1 LYS 252 HD3 -0.01 0.17 0.05 -0.04 1.68 1.84 2pm7B1 LYS 252 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2pm7B1 LYS 252 HE3 -0.02 -0.05 0.01 -0.04 2.99 2.89 2pm7B1 PHE 253 H 0.25 0.58 0.32 -0.55 8.34 8.93 2pm7B1 PHE 253 HA 0.01 0.11 0.62 -0.75 4.62 4.61 2pm7B1 PHE 253 HB2 -0.04 0.10 0.11 -0.04 3.15 3.28 2pm7B1 PHE 253 HB3 0.00 -0.13 0.06 -0.04 3.06 2.96 2pm7B1 PHE 253 HD2 -0.00 0.04 0.01 -0.04 7.28 7.29 2pm7B1 PHE 253 HE2 0.03 -0.06 -0.07 -0.04 7.38 7.24 2pm7B1 PHE 253 HZ -0.23 -0.01 -0.12 -0.04 7.32 6.92 2pm7B1 PRO 254 HA 0.05 0.10 0.43 -0.51 4.44 4.51 2pm7B1 PRO 254 HB2 0.07 0.00 0.01 -0.04 2.28 2.33 2pm7B1 PRO 254 HB3 0.06 0.04 0.11 -0.04 2.02 2.18 2pm7B1 PRO 254 HG2 0.17 -0.15 0.13 -0.04 2.03 2.13 2pm7B1 PRO 254 HG3 0.13 0.06 0.07 -0.04 2.03 2.25 2pm7B1 PRO 254 HD2 0.40 0.08 0.21 -0.04 3.68 4.33 2pm7B1 PRO 254 HD3 0.08 0.16 0.16 -0.04 3.65 4.01 2pm7B1 ASP 255 H 0.12 0.07 -0.06 -0.55 8.40 7.98 2pm7B1 ASP 255 HA 0.03 0.29 0.86 -0.75 4.63 5.05 2pm7B1 ASP 255 HB2 0.08 0.00 -0.10 -0.04 2.71 2.65 2pm7B1 ASP 255 HB3 0.10 -0.25 0.10 -0.04 2.70 2.62 2pm7B1 VAL 256 H -0.02 0.12 0.14 -0.55 8.24 7.94 2pm7B1 VAL 256 HA -0.27 0.06 0.44 -0.75 4.13 3.61 2pm7B1 VAL 256 HB -0.22 -0.05 0.08 -0.04 2.12 1.89 2pm7B1 VAL 256 HG13 -1.35 0.01 -0.25 -0.04 0.97 -0.67 2pm7B1 VAL 256 HG23 -0.20 0.04 0.12 -0.04 0.95 0.87 2pm7B1 LEU 257 H -0.41 0.33 0.24 -0.55 8.37 7.98 2pm7B1 LEU 257 HA -0.24 0.14 0.77 -0.75 4.35 4.27 2pm7B1 LEU 257 HB2 -0.33 -0.10 0.13 -0.04 1.64 1.29 2pm7B1 LEU 257 HB3 -0.31 0.04 -0.02 -0.04 1.64 1.30 2pm7B1 LEU 257 HG -0.35 0.00 -0.11 -0.04 1.64 1.15 2pm7B1 LEU 257 HD13 -0.51 0.05 -0.38 -0.04 0.93 0.04 2pm7B1 LEU 257 HD23 -0.72 -0.00 -0.16 -0.04 0.89 -0.03 2pm7B1 TRP 258 H 0.05 0.66 0.30 -0.55 7.97 8.44 2pm7B1 TRP 258 HA -0.09 0.16 0.95 -0.75 4.62 4.89 2pm7B1 TRP 258 HB2 -0.06 0.06 -0.07 -0.04 3.23 3.12 2pm7B1 TRP 258 HB3 -0.07 0.04 -0.07 -0.04 3.23 3.09 2pm7B1 TRP 258 HD1 -0.05 0.03 -0.48 -0.04 7.22 6.68 2pm7B1 TRP 258 HE1 -0.04 -0.11 -0.08 -0.04 10.20 9.93 2pm7B1 TRP 258 HE3 -0.10 0.06 -0.02 -0.04 7.59 7.49 2pm7B1 TRP 258 HZ2 -0.04 -0.04 -0.03 -0.04 7.44 7.29 2pm7B1 TRP 258 HZ3 -0.10 -0.00 -0.03 -0.04 7.13 6.96 2pm7B1 TRP 258 HH2 -0.03 -0.03 -0.03 -0.04 7.19 7.06 2pm7B1 ARG 259 H 0.05 0.21 0.26 -0.55 8.46 8.43 2pm7B1 ARG 259 HA 0.02 0.16 0.62 -0.75 4.34 4.39 2pm7B1 ARG 259 HB2 0.05 -0.08 -0.03 -0.04 1.90 1.80 2pm7B1 ARG 259 HB3 0.03 0.08 0.01 -0.04 1.80 1.87 2pm7B1 ARG 259 HG2 0.14 -0.05 -0.65 -0.04 1.67 1.07 2pm7B1 ARG 259 HG3 0.07 0.02 -0.09 -0.04 1.67 1.63 2pm7B1 ARG 259 HD2 0.05 -0.03 0.08 -0.04 3.22 3.28 2pm7B1 ARG 259 HD3 0.06 0.11 0.17 -0.04 3.22 3.51 2pm7B1 ALA 260 H -0.03 0.39 0.13 -0.55 8.40 8.35 2pm7B1 ALA 260 HA -0.17 0.21 0.73 -0.75 4.34 4.36 2pm7B1 ALA 260 HB3 -0.22 -0.00 -0.22 -0.04 1.41 0.92 2pm7B1 SER 261 H -0.24 0.23 0.18 -0.55 8.46 8.08 2pm7B1 SER 261 HA 0.00 0.14 0.72 -0.75 4.49 4.60 2pm7B1 SER 261 HB2 0.03 0.05 -0.18 -0.04 3.95 3.80 2pm7B1 SER 261 HB3 0.01 -0.06 0.05 -0.04 3.93 3.89 2pm7B1 TRP 262 H 0.30 0.21 0.11 -0.55 7.97 8.04 2pm7B1 TRP 262 HA 0.11 0.26 0.92 -0.75 4.62 5.15 2pm7B1 TRP 262 HB2 0.16 0.05 0.06 -0.04 3.23 3.46 2pm7B1 TRP 262 HB3 0.14 -0.00 0.02 -0.04 3.23 3.35 2pm7B1 TRP 262 HD1 0.18 0.03 -0.45 -0.04 7.22 6.94 2pm7B1 TRP 262 HE1 0.14 0.62 -0.23 -0.04 10.20 10.68 2pm7B1 TRP 262 HE3 0.13 -0.05 -0.45 -0.04 7.59 7.18 2pm7B1 TRP 262 HZ2 0.06 0.09 -0.23 -0.04 7.44 7.32 2pm7B1 TRP 262 HZ3 0.27 0.11 -0.22 -0.04 7.13 7.25 2pm7B1 TRP 262 HH2 -0.21 -0.01 -0.12 -0.04 7.19 6.81 2pm7B1 SER 263 H 0.36 0.41 0.31 -0.55 8.46 8.98 2pm7B1 SER 263 HA 0.17 0.13 0.52 -0.75 4.49 4.56 2pm7B1 SER 263 HB2 0.13 -0.04 0.18 -0.04 3.95 4.18 2pm7B1 SER 263 HB3 0.15 0.09 0.14 -0.04 3.93 4.27 2pm7B1 LEU 264 H 0.11 0.16 0.19 -0.55 8.37 8.29 2pm7B1 LEU 264 HA 0.13 0.16 0.51 -0.75 4.35 4.40 2pm7B1 LEU 264 HB2 0.07 -0.02 0.09 -0.04 1.64 1.74 2pm7B1 LEU 264 HB3 0.08 0.01 0.13 -0.04 1.64 1.82 2pm7B1 LEU 264 HG 0.08 -0.02 0.12 -0.04 1.64 1.78 2pm7B1 LEU 264 HD13 0.02 0.01 0.04 -0.04 0.93 0.96 2pm7B1 LEU 264 HD23 0.13 0.02 0.00 -0.04 0.89 1.01 2pm7B1 SER 265 H 0.11 0.17 -0.14 -0.55 8.46 8.05 2pm7B1 SER 265 HA 0.08 0.11 0.70 -0.75 4.49 4.62 2pm7B1 SER 265 HB2 0.06 0.11 -0.14 -0.04 3.95 3.94 2pm7B1 SER 265 HB3 0.06 -0.01 -0.00 -0.04 3.93 3.94 2pm7B1 GLY 266 H 0.06 0.18 0.10 -0.55 8.43 8.23 2pm7B1 GLY 266 HA2 0.06 0.04 0.32 -0.51 4.01 3.92 2pm7B1 GLY 266 HA3 0.09 0.20 0.67 -0.51 4.01 4.45 2pm7B1 ASN 267 H 0.12 0.05 -0.41 -0.55 8.53 7.75 2pm7B1 ASN 267 HA 0.21 0.06 0.24 -0.75 4.76 4.52 2pm7B1 ASN 267 HB2 -0.07 -0.10 -0.16 -0.04 2.88 2.50 2pm7B1 ASN 267 HB3 -0.01 0.14 0.10 -0.04 2.79 2.99 2pm7B1 ASN 267 HD21 -1.09 0.02 -0.06 -0.04 7.03 5.86 2pm7B1 ASN 267 HD22 -0.27 -0.01 0.03 -0.04 7.74 7.44 2pm7B1 VAL 268 H 0.32 0.03 -0.07 -0.55 8.24 7.97 2pm7B1 VAL 268 HA 0.40 0.31 0.97 -0.75 4.13 5.06 2pm7B1 VAL 268 HB 0.19 -0.09 0.09 -0.04 2.12 2.26 2pm7B1 VAL 268 HG13 0.16 0.02 -0.08 -0.04 0.97 1.03 2pm7B1 VAL 268 HG23 0.16 -0.01 -0.15 -0.04 0.95 0.90 2pm7B1 LEU 269 H 0.29 0.61 0.32 -0.55 8.37 9.05 2pm7B1 LEU 269 HA -0.27 0.32 0.98 -0.75 4.35 4.63 2pm7B1 LEU 269 HB2 -1.15 0.02 -0.09 -0.04 1.64 0.37 2pm7B1 LEU 269 HB3 -0.21 -0.05 0.08 -0.04 1.64 1.42 2pm7B1 LEU 269 HG -0.35 -0.00 -0.46 -0.04 1.64 0.78 2pm7B1 LEU 269 HD13 -1.38 0.02 -0.21 -0.04 0.93 -0.68 2pm7B1 LEU 269 HD23 -0.66 -0.01 -0.17 -0.04 0.89 0.02 2pm7B1 ALA 270 H -0.15 0.76 0.36 -0.55 8.40 8.83 2pm7B1 ALA 270 HA 0.06 0.14 0.91 -0.75 4.34 4.70 2pm7B1 ALA 270 HB3 0.02 0.00 0.03 -0.04 1.41 1.41 2pm7B1 LEU 271 H 0.16 0.64 0.28 -0.55 8.37 8.91 2pm7B1 LEU 271 HA -0.08 0.23 0.89 -0.75 4.35 4.63 2pm7B1 LEU 271 HB2 0.01 -0.02 -0.01 -0.04 1.64 1.57 2pm7B1 LEU 271 HB3 0.24 -0.06 0.11 -0.04 1.64 1.89 2pm7B1 LEU 271 HG -0.24 0.01 -0.19 -0.04 1.64 1.18 2pm7B1 LEU 271 HD13 -0.30 0.04 -0.03 -0.04 0.93 0.60 2pm7B1 LEU 271 HD23 -0.62 -0.02 -0.12 -0.04 0.89 0.09 2pm7B1 SER 272 H -0.04 0.55 0.27 -0.55 8.46 8.69 2pm7B1 SER 272 HA 0.05 0.23 0.95 -0.75 4.49 4.96 2pm7B1 SER 272 HB2 0.07 -0.16 0.16 -0.04 3.95 3.98 2pm7B1 SER 272 HB3 0.08 0.09 -0.04 -0.04 3.93 4.02 2pm7B1 GLY 273 H 0.07 0.71 0.22 -0.55 8.43 8.88 2pm7B1 GLY 273 HA2 0.04 0.19 0.82 -0.51 4.01 4.55 2pm7B1 GLY 273 HA3 0.06 -0.07 0.30 -0.51 4.01 3.80 2pm7B1 GLY 274 H 0.15 0.28 0.09 -0.55 8.43 8.40 2pm7B1 GLY 274 HA2 0.35 0.19 0.54 -0.51 4.01 4.58 2pm7B1 GLY 274 HA3 0.33 -0.00 0.35 -0.51 4.01 4.17 2pm7B1 ASP 275 H 0.12 0.04 -0.06 -0.55 8.40 7.94 2pm7B1 ASP 275 HA 0.07 0.13 0.35 -0.75 4.63 4.42 2pm7B1 ASP 275 HB2 0.07 0.07 0.13 -0.04 2.71 2.94 2pm7B1 ASP 275 HB3 0.08 -0.01 0.06 -0.04 2.70 2.80 2pm7B1 ASN 276 H 0.08 0.09 -1.88 -0.55 8.53 6.28 2pm7B1 ASN 276 HA 0.03 0.14 0.17 -0.75 4.76 4.35 2pm7B1 ASN 276 HB2 0.01 0.02 -0.19 -0.04 2.88 2.68 2pm7B1 ASN 276 HB3 0.02 0.10 0.03 -0.04 2.79 2.90 2pm7B1 ASN 276 HD21 -0.00 -0.02 0.04 -0.04 7.03 7.01 2pm7B1 ASN 276 HD22 0.01 -0.01 0.07 -0.04 7.74 7.77 2pm7B1 LYS 277 H 0.08 -0.16 -0.68 -0.55 8.42 7.10 2pm7B1 LYS 277 HA 0.04 0.22 0.78 -0.75 4.32 4.62 2pm7B1 LYS 277 HB2 0.07 0.10 -0.11 -0.04 1.87 1.89 2pm7B1 LYS 277 HB3 0.11 -0.12 -0.09 -0.04 1.79 1.65 2pm7B1 LYS 277 HG2 0.08 -0.04 -0.09 -0.04 1.46 1.37 2pm7B1 LYS 277 HG3 0.07 0.04 -0.20 -0.04 1.46 1.33 2pm7B1 LYS 277 HD2 0.03 0.04 0.09 -0.04 1.69 1.80 2pm7B1 LYS 277 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 2pm7B1 LYS 277 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.91 2pm7B1 LYS 277 HE3 0.01 0.09 0.03 -0.04 2.99 3.08 2pm7B1 VAL 278 H 0.04 0.22 0.14 -0.55 8.24 8.09 2pm7B1 VAL 278 HA 0.07 0.37 1.06 -0.75 4.13 4.87 2pm7B1 VAL 278 HB 0.02 -0.03 0.11 -0.04 2.12 2.18 2pm7B1 VAL 278 HG13 0.03 0.01 -0.20 -0.04 0.97 0.77 2pm7B1 VAL 278 HG23 0.03 0.01 -0.18 -0.04 0.95 0.77 2pm7B1 THR 279 H 0.15 0.42 0.22 -0.55 8.28 8.52 2pm7B1 THR 279 HA -0.09 0.15 0.95 -0.75 4.39 4.65 2pm7B1 THR 279 HB -0.36 0.04 -0.02 -0.04 4.32 3.94 2pm7B1 THR 279 HG23 0.19 -0.01 -0.17 -0.04 1.22 1.19 2pm7B1 LEU 280 H -0.32 0.14 0.20 -0.55 8.37 7.85 2pm7B1 LEU 280 HA 0.04 0.38 1.12 -0.75 4.35 5.14 2pm7B1 LEU 280 HB2 -0.11 -0.15 0.13 -0.04 1.64 1.48 2pm7B1 LEU 280 HB3 0.01 0.07 0.04 -0.04 1.64 1.71 2pm7B1 LEU 280 HG -0.05 -0.02 -0.11 -0.04 1.64 1.42 2pm7B1 LEU 280 HD13 -0.00 0.01 -0.03 -0.04 0.93 0.86 2pm7B1 LEU 280 HD23 0.03 0.04 -0.17 -0.04 0.89 0.75 2pm7B1 TRP 281 H 0.32 0.70 0.39 -0.55 7.97 8.84 2pm7B1 TRP 281 HA 0.17 0.20 1.09 -0.75 4.62 5.33 2pm7B1 TRP 281 HB2 0.08 -0.04 -0.01 -0.04 3.23 3.22 2pm7B1 TRP 281 HB3 0.33 0.03 -0.01 -0.04 3.23 3.55 2pm7B1 TRP 281 HD1 -0.05 0.15 -0.15 -0.04 7.22 7.13 2pm7B1 TRP 281 HE1 0.07 -0.01 -0.19 -0.04 10.20 10.04 2pm7B1 TRP 281 HE3 0.20 -0.01 -0.33 -0.04 7.59 7.41 2pm7B1 TRP 281 HZ2 0.35 -0.03 -0.12 -0.04 7.44 7.60 2pm7B1 TRP 281 HZ3 0.08 0.04 -0.10 -0.04 7.13 7.10 2pm7B1 TRP 281 HH2 -0.03 -0.01 -0.09 -0.04 7.19 7.02 2pm7B1 LYS 282 H 0.50 0.71 0.36 -0.55 8.42 9.44 2pm7B1 LYS 282 HA 0.52 0.20 0.87 -0.75 4.32 5.16 2pm7B1 LYS 282 HB2 0.12 0.07 0.13 -0.04 1.87 2.15 2pm7B1 LYS 282 HB3 0.19 -0.07 -0.10 -0.04 1.79 1.77 2pm7B1 LYS 282 HG2 0.13 0.07 -0.19 -0.04 1.46 1.43 2pm7B1 LYS 282 HG3 0.07 0.01 -0.34 -0.04 1.46 1.16 2pm7B1 LYS 282 HD2 0.04 0.01 -0.04 -0.04 1.69 1.67 2pm7B1 LYS 282 HD3 0.06 -0.03 -0.04 -0.04 1.68 1.64 2pm7B1 LYS 282 HE2 0.04 0.14 -0.06 -0.04 2.99 3.07 2pm7B1 LYS 282 HE3 0.03 -0.06 -0.10 -0.04 2.99 2.82 2pm7B1 GLU 283 H -0.26 0.21 0.18 -0.55 8.60 8.20 2pm7B1 GLU 283 HA -0.94 0.19 0.62 -0.75 4.29 3.41 2pm7B1 GLU 283 HB2 -1.91 0.00 -0.01 -0.04 2.09 0.14 2pm7B1 GLU 283 HB3 -0.49 -0.01 0.06 -0.04 1.99 1.50 2pm7B1 GLU 283 HG2 -0.34 0.08 -0.14 -0.04 2.34 1.89 2pm7B1 GLU 283 HG3 -0.81 0.02 -0.23 -0.04 2.34 1.29 2pm7B1 ASN 284 H -0.28 0.48 0.25 -0.55 8.53 8.43 2pm7B1 ASN 284 HA -0.08 0.27 0.97 -0.75 4.76 5.16 2pm7B1 ASN 284 HB2 -0.03 -0.12 0.16 -0.04 2.88 2.85 2pm7B1 ASN 284 HB3 -0.03 0.12 -0.06 -0.04 2.79 2.78 2pm7B1 ASN 284 HD21 0.01 -0.05 -0.19 -0.04 7.03 6.76 2pm7B1 ASN 284 HD22 0.02 0.05 -0.17 -0.04 7.74 7.60 2pm7B1 LEU 285 H -0.04 0.18 0.14 -0.55 8.37 8.11 2pm7B1 LEU 285 HA -0.03 0.09 0.35 -0.75 4.35 4.01 2pm7B1 LEU 285 HB2 -0.02 -0.05 0.15 -0.04 1.64 1.68 2pm7B1 LEU 285 HB3 -0.01 0.05 -0.04 -0.04 1.64 1.59 2pm7B1 LEU 285 HG -0.01 0.00 0.09 -0.04 1.64 1.68 2pm7B1 LEU 285 HD13 -0.01 0.00 0.03 -0.04 0.93 0.91 2pm7B1 LEU 285 HD23 -0.01 0.01 0.04 -0.04 0.89 0.89 2pm7B1 GLU 286 H -0.03 0.01 -0.34 -0.55 8.60 7.68 2pm7B1 GLU 286 HA -0.02 0.13 0.47 -0.75 4.29 4.11 2pm7B1 GLU 286 HB2 -0.02 -0.07 -0.00 -0.04 2.09 1.96 2pm7B1 GLU 286 HB3 -0.01 0.05 0.08 -0.04 1.99 2.07 2pm7B1 GLU 286 HG2 -0.01 -0.08 0.01 -0.04 2.34 2.22 2pm7B1 GLU 286 HG3 -0.00 0.03 0.00 -0.04 2.34 2.33 2pm7B1 GLY 287 H -0.09 0.71 -0.18 -0.55 8.43 8.33 2pm7B1 GLY 287 HA2 -0.10 0.02 0.27 -0.51 4.01 3.69 2pm7B1 GLY 287 HA3 -0.03 0.13 0.65 -0.51 4.01 4.26 2pm7B1 LYS 288 H -0.09 -0.09 -0.19 -0.55 8.42 7.49 2pm7B1 LYS 288 HA 0.07 0.24 0.77 -0.75 4.32 4.65 2pm7B1 LYS 288 HB2 0.02 -0.11 -0.03 -0.04 1.87 1.71 2pm7B1 LYS 288 HB3 0.09 0.09 0.06 -0.04 1.79 1.99 2pm7B1 LYS 288 HG2 0.06 0.09 -0.10 -0.04 1.46 1.47 2pm7B1 LYS 288 HG3 0.02 0.03 -0.32 -0.04 1.46 1.14 2pm7B1 LYS 288 HD2 0.02 -0.06 -0.05 -0.04 1.69 1.56 2pm7B1 LYS 288 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 2pm7B1 LYS 288 HE2 0.02 0.03 -0.04 -0.04 2.99 2.96 2pm7B1 LYS 288 HE3 0.01 0.05 -0.05 -0.04 2.99 2.96 2pm7B1 TRP 289 H 0.40 0.23 0.16 -0.55 7.97 8.21 2pm7B1 TRP 289 HA 0.17 0.28 1.02 -0.75 4.62 5.34 2pm7B1 TRP 289 HB2 0.04 0.18 0.12 -0.04 3.23 3.53 2pm7B1 TRP 289 HB3 0.26 -0.05 0.01 -0.04 3.23 3.41 2pm7B1 TRP 289 HD1 0.04 0.05 -0.02 -0.04 7.22 7.24 2pm7B1 TRP 289 HE1 0.16 0.07 -0.10 -0.04 10.20 10.28 2pm7B1 TRP 289 HE3 0.27 -0.04 -0.46 -0.04 7.59 7.32 2pm7B1 TRP 289 HZ2 0.50 0.02 -0.12 -0.04 7.44 7.79 2pm7B1 TRP 289 HZ3 0.34 0.15 -0.05 -0.04 7.13 7.53 2pm7B1 TRP 289 HH2 0.28 0.03 -0.07 -0.04 7.19 7.39 2pm7B1 GLU 290 H 0.48 0.58 0.39 -0.55 8.60 9.50 2pm7B1 GLU 290 HA 0.41 0.11 0.67 -0.75 4.29 4.73 2pm7B1 GLU 290 HB2 0.11 0.02 0.10 -0.04 2.09 2.27 2pm7B1 GLU 290 HB3 0.15 0.01 -0.16 -0.04 1.99 1.94 2pm7B1 GLU 290 HG2 0.11 0.08 -0.06 -0.04 2.34 2.43 2pm7B1 GLU 290 HG3 0.10 0.10 -0.26 -0.04 2.34 2.24 2pm7B1 PRO 291 HA -0.46 0.26 0.62 -0.51 4.44 4.35 2pm7B1 PRO 291 HB2 -0.11 0.01 0.14 -0.04 2.28 2.27 2pm7B1 PRO 291 HB3 -0.27 0.01 0.12 -0.04 2.02 1.84 2pm7B1 PRO 291 HG2 -0.14 0.02 0.11 -0.04 2.03 1.98 2pm7B1 PRO 291 HG3 -0.52 0.04 0.10 -0.04 2.03 1.62 2pm7B1 PRO 291 HD2 0.02 0.10 0.23 -0.04 3.68 3.99 2pm7B1 PRO 291 HD3 0.13 0.14 0.23 -0.04 3.65 4.11 2pm7B1 ALA 292 H -0.14 0.49 0.06 -0.55 8.40 8.26 2pm7B1 ALA 292 HA 0.03 0.19 0.44 -0.75 4.34 4.25 2pm7B1 ALA 292 HB3 0.07 -0.01 -0.19 -0.04 1.41 1.24