============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 6 1.040 -21.559 48.844 88.573 -99.200 -91.000 TRP6 6 1.020 -20.414 48.682 90.642 -99.200 -91.000 HIS 12 0.900 -18.376 51.913 73.666 -99.200 -91.000 PHE 20 1.000 -17.254 43.153 88.342 -99.200 -91.000 HIS 23 0.900 -13.421 36.686 82.755 -99.200 -91.000 TYR 43 0.840 -24.444 62.098 86.091 -99.200 -91.000 TYR 66 0.840 -23.263 69.105 96.747 -99.200 -91.000 TYR 69 0.840 -26.754 64.818 101.320 -99.200 -91.000 PHE 82 1.000 -5.913 51.598 96.571 -99.200 -91.000 TYR 83 0.840 -7.733 57.775 91.552 -99.200 -91.000 PHE 92 1.000 -3.873 63.154 97.226 -99.200 -91.000 TYR 93 0.840 -9.628 63.240 90.673 -99.200 -91.000 TYR 94 0.840 -2.127 66.717 93.138 -99.200 -91.000 PHE 105 1.000 -5.130 79.105 75.744 -99.200 -91.000 HIS 117 0.900 -15.837 72.517 80.342 -99.200 -91.000 TRP 126 1.040 -19.699 72.609 85.612 -99.200 -91.000 TRP6 126 1.020 -20.040 73.670 83.543 -99.200 -91.000 TYR 134 0.840 -20.659 82.420 89.846 -99.200 -91.000 PHE 151 1.000 -14.642 82.991 80.274 -99.200 -91.000 PHE 152 1.000 -14.565 78.266 78.569 -99.200 -91.000 PHE 165 1.000 -28.454 76.312 79.537 -99.200 -91.000 TYR 183 0.840 -14.213 65.346 70.730 -99.200 -91.000 PHE 184 1.000 -19.103 60.378 79.543 -99.200 -91.000 TYR 186 0.840 -11.157 62.165 84.942 -99.200 -91.000 PHE 190 1.000 -4.819 64.132 75.821 -99.200 -91.000 PHE 202 1.000 -11.042 73.988 81.791 -99.200 -91.000 HIS 205 0.900 -2.577 63.411 89.184 -99.200 -91.000 PHE 209 1.000 1.938 61.742 83.034 -99.200 -91.000 TYR 221 0.840 -0.939 67.282 73.968 -99.200 -91.000 TYR 236 0.840 1.294 65.318 88.541 -99.200 -91.000 HIS 240 0.900 -2.352 71.150 92.573 -99.200 -91.000 HIS 247 0.900 -14.043 59.793 89.193 -99.200 -91.000 TRP 262 1.040 -15.213 45.687 101.672 -99.200 -91.000 TRP6 262 1.020 -13.440 46.861 100.628 -99.200 -91.000 HIS 271 0.900 -10.201 35.817 92.958 -99.200 -91.000 PHE 272 1.000 -11.300 38.009 87.762 -99.200 -91.000 PHE 280 1.000 -13.196 41.722 83.952 -99.200 -91.000 PHE 283 1.000 -9.257 48.859 89.375 -99.200 -91.000 HIS 287 0.900 -15.286 45.373 74.617 -99.200 -91.000 PHE 293 1.000 -15.434 49.474 89.082 -99.200 -91.000 HIS 298 0.900 -2.246 51.945 90.537 -99.200 -91.000 PHE 300 1.000 -12.808 49.100 93.323 -99.200 -91.000 TYR 312 0.840 -15.717 60.103 99.893 -99.200 -91.000 TYR 315 0.840 -16.843 74.431 105.629 -99.200 -91.000 TYR 317 0.840 -15.360 68.972 95.614 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o7uG1 ASP 3 HA 0.00 -0.06 0.18 -0.75 4.63 4.00 2o7uG1 ASP 3 HB2 0.00 -0.00 0.06 -0.04 2.71 2.72 2o7uG1 ASP 3 HB3 0.00 0.00 0.13 -0.04 2.70 2.80 2o7uG1 LYS 4 H 0.01 0.17 -0.00 -0.55 8.42 8.04 2o7uG1 LYS 4 HA 0.02 0.09 0.47 -0.75 4.32 4.14 2o7uG1 LYS 4 HB2 0.01 0.13 0.10 -0.04 1.87 2.07 2o7uG1 LYS 4 HB3 0.02 -0.06 0.09 -0.04 1.79 1.80 2o7uG1 LYS 4 HG2 0.02 -0.06 -0.04 -0.04 1.46 1.34 2o7uG1 LYS 4 HG3 0.01 -0.02 -0.03 -0.04 1.46 1.38 2o7uG1 LYS 4 HD2 0.01 -0.06 0.02 -0.04 1.69 1.62 2o7uG1 LYS 4 HD3 0.01 0.24 0.01 -0.04 1.68 1.90 2o7uG1 LYS 4 HE2 0.02 -0.09 -0.00 -0.04 2.99 2.87 2o7uG1 LYS 4 HE3 0.01 0.07 0.05 -0.04 2.99 3.08 2o7uG1 THR 5 H 0.01 0.46 -0.42 -0.55 8.28 7.78 2o7uG1 THR 5 HA 0.01 0.17 0.90 -0.75 4.39 4.72 2o7uG1 THR 5 HB 0.00 0.02 -0.10 -0.04 4.32 4.20 2o7uG1 THR 5 HG23 -0.00 -0.02 -0.39 -0.04 1.22 0.77 2o7uG1 VAL 6 H 0.03 0.62 0.19 -0.55 8.24 8.53 2o7uG1 VAL 6 HA 0.05 0.12 0.69 -0.75 4.13 4.23 2o7uG1 VAL 6 HB 0.15 0.08 0.16 -0.04 2.12 2.46 2o7uG1 VAL 6 HG13 0.20 -0.02 -0.22 -0.04 0.97 0.88 2o7uG1 VAL 6 HG23 0.10 0.01 -0.17 -0.04 0.95 0.85 2o7uG1 ARG 7 H 0.02 0.22 0.08 -0.55 8.46 8.23 2o7uG1 ARG 7 HA 0.07 0.11 0.71 -0.75 4.34 4.48 2o7uG1 ARG 7 HB2 -0.01 -0.13 0.16 -0.04 1.90 1.88 2o7uG1 ARG 7 HB3 0.01 0.07 -0.02 -0.04 1.80 1.82 2o7uG1 ARG 7 HG2 0.01 -0.03 -0.14 -0.04 1.67 1.48 2o7uG1 ARG 7 HG3 0.01 0.05 -0.18 -0.04 1.67 1.51 2o7uG1 ARG 7 HD2 -0.00 0.19 -0.10 -0.04 3.22 3.27 2o7uG1 ARG 7 HD3 -0.00 -0.00 -0.10 -0.04 3.22 3.08 2o7uG1 TRP 8 H 0.27 0.63 0.21 -0.55 7.97 8.54 2o7uG1 TRP 8 HA 0.03 0.09 0.69 -0.75 4.62 4.68 2o7uG1 TRP 8 HB2 0.06 0.06 0.07 -0.04 3.23 3.37 2o7uG1 TRP 8 HB3 0.05 -0.06 0.00 -0.04 3.23 3.19 2o7uG1 TRP 8 HD1 0.01 -0.04 -0.42 -0.04 7.22 6.72 2o7uG1 TRP 8 HE1 -0.13 -0.09 0.04 -0.04 10.20 9.98 2o7uG1 TRP 8 HE3 0.12 0.02 -0.12 -0.04 7.59 7.57 2o7uG1 TRP 8 HZ2 -0.06 -0.02 -0.16 -0.04 7.44 7.16 2o7uG1 TRP 8 HZ3 0.16 0.03 -0.11 -0.04 7.13 7.17 2o7uG1 TRP 8 HH2 0.25 -0.02 -0.14 -0.04 7.19 7.24 2o7uG1 CYS 9 H -0.48 0.61 0.37 -0.55 8.50 8.45 2o7uG1 CYS 9 HA 0.06 0.29 0.95 -0.75 4.58 5.13 2o7uG1 CYS 9 HB2 -0.10 0.02 0.02 -0.04 2.97 2.87 2o7uG1 CYS 9 HB3 -0.10 -0.07 0.18 -0.04 2.97 2.95 2o7uG1 ALA 10 H 0.13 0.75 0.31 -0.55 8.40 9.05 2o7uG1 ALA 10 HA 0.20 0.06 0.74 -0.75 4.34 4.59 2o7uG1 ALA 10 HB3 0.11 -0.02 -0.23 -0.04 1.41 1.24 2o7uG1 VAL 11 H 0.10 0.13 0.13 -0.55 8.24 8.06 2o7uG1 VAL 11 HA 0.02 0.32 0.80 -0.75 4.13 4.52 2o7uG1 VAL 11 HB 0.06 -0.09 0.22 -0.04 2.12 2.28 2o7uG1 VAL 11 HG13 -0.02 -0.01 -0.14 -0.04 0.97 0.76 2o7uG1 VAL 11 HG23 0.12 0.02 -0.12 -0.04 0.95 0.93 2o7uG1 SER 12 H -0.01 0.33 0.17 -0.55 8.46 8.40 2o7uG1 SER 12 HA -0.05 0.12 0.28 -0.75 4.49 4.08 2o7uG1 SER 12 HB2 -0.08 0.06 -0.38 -0.04 3.95 3.50 2o7uG1 SER 12 HB3 -0.11 -0.17 0.18 -0.04 3.93 3.79 2o7uG1 GLU 13 H -0.16 0.17 0.13 -0.55 8.60 8.20 2o7uG1 GLU 13 HA -0.09 0.10 0.15 -0.75 4.29 3.69 2o7uG1 GLU 13 HB2 -0.38 -0.00 0.11 -0.04 2.09 1.78 2o7uG1 GLU 13 HB3 -0.19 0.09 0.01 -0.04 1.99 1.86 2o7uG1 GLU 13 HG2 -0.13 -0.09 0.09 -0.04 2.34 2.18 2o7uG1 GLU 13 HG3 -0.13 0.09 0.03 -0.04 2.34 2.29 2o7uG1 HIS 14 H -0.20 0.06 -0.12 -0.55 8.41 7.60 2o7uG1 HIS 14 HA -0.04 0.15 0.37 -0.75 4.63 4.36 2o7uG1 HIS 14 HB2 0.03 -0.10 0.05 -0.04 3.26 3.21 2o7uG1 HIS 14 HB3 0.07 0.10 -0.07 -0.04 3.20 3.26 2o7uG1 HIS 14 HD2 0.01 -0.00 -0.01 -0.04 6.97 6.92 2o7uG1 HIS 14 HE1 0.01 0.11 -0.07 -0.04 7.75 7.76 2o7uG1 GLU 15 H 0.10 0.16 -0.14 -0.55 8.60 8.17 2o7uG1 GLU 15 HA 0.08 0.07 0.39 -0.75 4.29 4.09 2o7uG1 GLU 15 HB2 0.07 0.10 -0.10 -0.04 2.09 2.12 2o7uG1 GLU 15 HB3 0.08 0.01 -0.02 -0.04 1.99 2.03 2o7uG1 GLU 15 HG2 0.10 -0.03 0.04 -0.04 2.34 2.41 2o7uG1 GLU 15 HG3 0.11 0.10 0.09 -0.04 2.34 2.60 2o7uG1 ALA 16 H 0.02 0.54 -0.33 -0.55 8.40 8.08 2o7uG1 ALA 16 HA 0.04 -0.01 0.28 -0.75 4.34 3.90 2o7uG1 ALA 16 HB3 -0.01 0.03 -0.07 -0.04 1.41 1.32 2o7uG1 THR 17 H -0.03 0.42 -0.34 -0.55 8.28 7.78 2o7uG1 THR 17 HA -0.04 0.04 0.42 -0.75 4.39 4.06 2o7uG1 THR 17 HB -0.25 0.05 0.13 -0.04 4.32 4.21 2o7uG1 THR 17 HG23 -0.24 -0.01 -0.04 -0.04 1.22 0.89 2o7uG1 LYS 18 H 0.06 0.43 -0.03 -0.55 8.42 8.33 2o7uG1 LYS 18 HA 0.19 0.03 0.39 -0.75 4.32 4.18 2o7uG1 LYS 18 HB2 0.15 -0.02 0.09 -0.04 1.87 2.05 2o7uG1 LYS 18 HB3 0.09 0.02 0.03 -0.04 1.79 1.89 2o7uG1 LYS 18 HG2 0.23 -0.01 -0.04 -0.04 1.46 1.59 2o7uG1 LYS 18 HG3 0.19 0.00 0.07 -0.04 1.46 1.68 2o7uG1 LYS 18 HD2 0.06 -0.16 -0.12 -0.04 1.69 1.43 2o7uG1 LYS 18 HD3 0.02 -0.05 -0.18 -0.04 1.68 1.42 2o7uG1 LYS 18 HE2 -0.08 -0.03 0.04 -0.04 2.99 2.89 2o7uG1 LYS 18 HE3 -0.08 0.28 0.08 -0.04 2.99 3.23 2o7uG1 CYS 19 H 0.06 0.65 -0.26 -0.55 8.50 8.41 2o7uG1 CYS 19 HA 0.14 0.02 0.35 -0.75 4.58 4.35 2o7uG1 CYS 19 HB2 0.07 -0.05 -0.05 -0.04 2.97 2.91 2o7uG1 CYS 19 HB3 0.06 0.11 0.03 -0.04 2.97 3.13 2o7uG1 GLN 20 H 0.02 0.45 -0.23 -0.55 8.47 8.16 2o7uG1 GLN 20 HA -0.03 0.03 0.44 -0.75 4.36 4.04 2o7uG1 GLN 20 HB2 -0.01 0.01 0.12 -0.04 2.15 2.23 2o7uG1 GLN 20 HB3 -0.02 0.13 0.16 -0.04 2.02 2.25 2o7uG1 GLN 20 HG2 -0.03 -0.02 0.01 -0.04 2.40 2.32 2o7uG1 GLN 20 HG3 -0.05 -0.01 -0.10 -0.04 2.39 2.19 2o7uG1 GLN 20 HE21 -0.03 0.00 0.04 -0.04 6.97 6.94 2o7uG1 GLN 20 HE22 -0.02 0.01 0.03 -0.04 7.69 7.66 2o7uG1 SER 21 H -0.01 0.40 -0.16 -0.55 8.46 8.15 2o7uG1 SER 21 HA -0.14 0.07 0.73 -0.75 4.49 4.39 2o7uG1 SER 21 HB2 -0.04 -0.00 0.07 -0.04 3.95 3.94 2o7uG1 SER 21 HB3 0.01 -0.01 0.07 -0.04 3.93 3.95 2o7uG1 PHE 22 H -0.05 0.46 -0.20 -0.55 8.34 8.00 2o7uG1 PHE 22 HA -0.81 0.02 0.50 -0.75 4.62 3.58 2o7uG1 PHE 22 HB2 -0.03 0.06 0.06 -0.04 3.15 3.21 2o7uG1 PHE 22 HB3 -0.13 0.14 0.16 -0.04 3.06 3.19 2o7uG1 PHE 22 HD2 -0.17 -0.04 -0.03 -0.04 7.28 7.01 2o7uG1 PHE 22 HE2 -0.15 -0.03 -0.10 -0.04 7.38 7.06 2o7uG1 PHE 22 HZ -0.03 -0.01 -0.16 -0.04 7.32 7.07 2o7uG1 ARG 23 H -0.10 0.58 -0.10 -0.55 8.46 8.29 2o7uG1 ARG 23 HA -0.26 0.01 0.43 -0.75 4.34 3.77 2o7uG1 ARG 23 HB2 -0.11 0.04 0.12 -0.04 1.90 1.91 2o7uG1 ARG 23 HB3 -0.10 0.12 0.23 -0.04 1.80 2.01 2o7uG1 ARG 23 HG2 -0.09 -0.04 -0.16 -0.04 1.67 1.33 2o7uG1 ARG 23 HG3 -0.11 -0.01 0.11 -0.04 1.67 1.62 2o7uG1 ARG 23 HD2 -0.05 0.06 0.20 -0.04 3.22 3.39 2o7uG1 ARG 23 HD3 -0.05 -0.07 0.07 -0.04 3.22 3.12 2o7uG1 ASP 24 H -0.16 0.42 -0.14 -0.55 8.40 7.96 2o7uG1 ASP 24 HA -0.14 0.03 0.36 -0.75 4.63 4.12 2o7uG1 ASP 24 HB2 -0.29 0.03 0.18 -0.04 2.71 2.58 2o7uG1 ASP 24 HB3 -0.26 -0.03 0.01 -0.04 2.70 2.37 2o7uG1 HIS 25 H -0.29 0.60 -0.12 -0.55 8.41 8.06 2o7uG1 HIS 25 HA -0.15 -0.01 0.30 -0.75 4.63 4.01 2o7uG1 HIS 25 HB2 -0.88 0.18 0.13 -0.04 3.26 2.66 2o7uG1 HIS 25 HB3 -1.04 -0.04 -0.04 -0.04 3.20 2.04 2o7uG1 HIS 25 HD2 -0.05 -0.02 -0.05 -0.04 6.97 6.81 2o7uG1 HIS 25 HE1 -0.06 -0.00 -0.02 -0.04 7.75 7.63 2o7uG1 MET 26 H -0.07 0.52 -0.31 -0.55 8.47 8.06 2o7uG1 MET 26 HA 0.20 -0.01 0.55 -0.75 4.52 4.50 2o7uG1 MET 26 HB2 -0.15 0.12 0.12 -0.04 2.15 2.20 2o7uG1 MET 26 HB3 -0.03 0.03 0.01 -0.04 2.03 2.00 2o7uG1 MET 26 HG2 0.13 0.15 0.04 -0.04 2.63 2.91 2o7uG1 MET 26 HG3 -0.27 -0.08 -0.07 -0.04 2.56 2.10 2o7uG1 MET 26 HE3 0.14 -0.00 -0.05 -0.04 2.10 2.15 2o7uG1 LYS 27 H -0.08 0.44 -0.11 -0.55 8.42 8.12 2o7uG1 LYS 27 HA -0.04 0.11 0.48 -0.75 4.32 4.12 2o7uG1 LYS 27 HB2 -0.08 0.11 0.24 -0.04 1.87 2.10 2o7uG1 LYS 27 HB3 -0.06 -0.08 -0.01 -0.04 1.79 1.61 2o7uG1 LYS 27 HG2 -0.05 0.01 0.04 -0.04 1.46 1.42 2o7uG1 LYS 27 HG3 -0.07 0.01 0.06 -0.04 1.46 1.42 2o7uG1 LYS 27 HD2 -0.05 -0.06 -0.02 -0.04 1.69 1.52 2o7uG1 LYS 27 HD3 -0.07 -0.02 -0.04 -0.04 1.68 1.51 2o7uG1 LYS 27 HE2 -0.05 0.02 -0.02 -0.04 2.99 2.90 2o7uG1 LYS 27 HE3 -0.04 -0.00 -0.01 -0.04 2.99 2.90 2o7uG1 SER 28 H -0.04 0.35 -0.18 -0.55 8.46 8.05 2o7uG1 SER 28 HA -0.02 0.05 0.44 -0.75 4.49 4.20 2o7uG1 SER 28 HB2 -0.01 -0.07 0.05 -0.04 3.95 3.88 2o7uG1 SER 28 HB3 -0.06 -0.05 0.04 -0.04 3.93 3.82 2o7uG1 VAL 29 H 0.02 0.21 -0.32 -0.55 8.24 7.60 2o7uG1 VAL 29 HA -0.06 0.13 0.86 -0.75 4.13 4.31 2o7uG1 VAL 29 HB -0.24 0.02 0.01 -0.04 2.12 1.88 2o7uG1 VAL 29 HG13 -0.49 -0.03 0.03 -0.04 0.97 0.44 2o7uG1 VAL 29 HG23 0.20 0.05 -0.08 -0.04 0.95 1.08 2o7uG1 ILE 30 H -0.02 0.58 0.09 -0.55 8.25 8.36 2o7uG1 ILE 30 HA -0.01 0.05 0.87 -0.75 4.18 4.33 2o7uG1 ILE 30 HB -0.00 0.27 0.17 -0.04 1.89 2.29 2o7uG1 ILE 30 HG12 0.03 -0.01 0.03 -0.04 1.49 1.49 2o7uG1 ILE 30 HG13 0.03 -0.05 0.06 -0.04 1.21 1.21 2o7uG1 ILE 30 HG23 0.00 0.05 -0.16 -0.04 0.93 0.79 2o7uG1 ILE 30 HD13 0.03 -0.05 -0.13 -0.04 0.88 0.69 2o7uG1 PRO 31 HA -0.01 0.15 0.38 -0.51 4.44 4.45 2o7uG1 PRO 31 HB2 0.00 -0.15 0.07 -0.04 2.28 2.17 2o7uG1 PRO 31 HB3 0.00 0.06 0.11 -0.04 2.02 2.14 2o7uG1 PRO 31 HG2 0.01 -0.05 -0.01 -0.04 2.03 1.94 2o7uG1 PRO 31 HG3 0.01 0.03 0.06 -0.04 2.03 2.09 2o7uG1 PRO 31 HD2 0.01 0.07 0.22 -0.04 3.68 3.95 2o7uG1 PRO 31 HD3 0.01 0.22 0.17 -0.04 3.65 4.00 2o7uG1 SER 32 H -0.00 0.07 0.13 -0.55 8.46 8.11 2o7uG1 SER 32 HA -0.01 0.16 0.29 -0.75 4.49 4.18 2o7uG1 SER 32 HB2 -0.01 0.02 0.13 -0.04 3.95 4.06 2o7uG1 SER 32 HB3 -0.00 -0.09 0.16 -0.04 3.93 3.95 2o7uG1 ASP 33 H 0.00 0.00 -0.08 -0.55 8.40 7.78 2o7uG1 ASP 33 HA 0.00 0.12 0.45 -0.75 4.63 4.45 2o7uG1 ASP 33 HB2 0.01 0.01 0.10 -0.04 2.71 2.79 2o7uG1 ASP 33 HB3 0.00 -0.04 0.06 -0.04 2.70 2.68 2o7uG1 GLY 34 H 0.00 0.21 -0.65 -0.55 8.43 7.45 2o7uG1 GLY 34 HA2 0.01 -0.00 0.39 -0.51 4.01 3.90 2o7uG1 GLY 34 HA3 0.01 0.04 0.20 -0.51 4.01 3.75 2o7uG1 PRO 35 HA 0.01 0.20 0.55 -0.51 4.44 4.69 2o7uG1 PRO 35 HB2 0.01 0.00 -0.04 -0.04 2.28 2.22 2o7uG1 PRO 35 HB3 0.02 -0.04 0.09 -0.04 2.02 2.05 2o7uG1 PRO 35 HG2 0.01 0.06 0.04 -0.04 2.03 2.10 2o7uG1 PRO 35 HG3 0.01 -0.03 -0.09 -0.04 2.03 1.88 2o7uG1 PRO 35 HD2 0.01 0.09 0.16 -0.04 3.68 3.90 2o7uG1 PRO 35 HD3 0.01 0.07 0.16 -0.04 3.65 3.85 2o7uG1 SER 36 H -0.01 0.40 0.39 -0.55 8.46 8.69 2o7uG1 SER 36 HA -0.06 0.21 0.73 -0.75 4.49 4.61 2o7uG1 SER 36 HB2 -0.02 0.15 -0.03 -0.04 3.95 4.01 2o7uG1 SER 36 HB3 -0.02 -0.14 -0.05 -0.04 3.93 3.67 2o7uG1 VAL 37 H -0.12 0.26 0.14 -0.55 8.24 7.97 2o7uG1 VAL 37 HA -0.03 0.22 0.84 -0.75 4.13 4.41 2o7uG1 VAL 37 HB -0.26 0.02 -0.10 -0.04 2.12 1.74 2o7uG1 VAL 37 HG13 -0.72 -0.01 -0.11 -0.04 0.97 0.09 2o7uG1 VAL 37 HG23 -0.03 0.01 -0.05 -0.04 0.95 0.84 2o7uG1 ALA 38 H 0.03 0.60 0.25 -0.55 8.40 8.72 2o7uG1 ALA 38 HA -0.01 0.18 0.87 -0.75 4.34 4.62 2o7uG1 ALA 38 HB3 0.01 -0.00 -0.02 -0.04 1.41 1.36 2o7uG1 CYS 39 H 0.02 0.21 0.15 -0.55 8.50 8.33 2o7uG1 CYS 39 HA 0.12 0.28 1.05 -0.75 4.58 5.28 2o7uG1 CYS 39 HB2 0.03 -0.01 0.04 -0.04 2.97 2.98 2o7uG1 CYS 39 HB3 0.07 -0.05 -0.08 -0.04 2.97 2.87 2o7uG1 VAL 40 H 0.10 0.76 0.32 -0.55 8.24 8.86 2o7uG1 VAL 40 HA 0.02 0.15 0.86 -0.75 4.13 4.41 2o7uG1 VAL 40 HB 0.02 -0.06 0.03 -0.04 2.12 2.07 2o7uG1 VAL 40 HG13 -0.00 0.00 -0.19 -0.04 0.97 0.74 2o7uG1 VAL 40 HG23 0.01 0.05 -0.18 -0.04 0.95 0.79 2o7uG1 LYS 41 H 0.01 0.20 0.11 -0.55 8.42 8.18 2o7uG1 LYS 41 HA 0.03 0.35 0.98 -0.75 4.32 4.93 2o7uG1 LYS 41 HB2 0.01 0.00 -0.00 -0.04 1.87 1.83 2o7uG1 LYS 41 HB3 -0.01 0.02 0.08 -0.04 1.79 1.83 2o7uG1 LYS 41 HG2 -0.01 -0.02 -0.12 -0.04 1.46 1.26 2o7uG1 LYS 41 HG3 -0.00 0.02 -0.05 -0.04 1.46 1.39 2o7uG1 LYS 41 HD2 -0.04 -0.17 -0.18 -0.04 1.69 1.27 2o7uG1 LYS 41 HD3 -0.03 0.04 -0.17 -0.04 1.68 1.49 2o7uG1 LYS 41 HE2 -0.02 0.06 -0.05 -0.04 2.99 2.93 2o7uG1 LYS 41 HE3 -0.02 -0.01 -0.12 -0.04 2.99 2.79 2o7uG1 LYS 42 H 0.01 0.53 0.32 -0.55 8.42 8.73 2o7uG1 LYS 42 HA -0.02 0.19 0.65 -0.75 4.32 4.39 2o7uG1 LYS 42 HB2 -0.01 0.01 -0.14 -0.04 1.87 1.69 2o7uG1 LYS 42 HB3 -0.03 -0.16 -0.02 -0.04 1.79 1.53 2o7uG1 LYS 42 HG2 -0.01 0.03 -0.65 -0.04 1.46 0.79 2o7uG1 LYS 42 HG3 -0.02 0.03 -0.32 -0.04 1.46 1.11 2o7uG1 LYS 42 HD2 -0.03 -0.09 -0.03 -0.04 1.69 1.50 2o7uG1 LYS 42 HD3 -0.02 0.11 0.11 -0.04 1.68 1.84 2o7uG1 LYS 42 HE2 -0.02 0.02 -0.15 -0.04 2.99 2.80 2o7uG1 LYS 42 HE3 -0.03 0.01 -0.10 -0.04 2.99 2.84 2o7uG1 ALA 43 H -0.04 0.20 0.13 -0.55 8.40 8.15 2o7uG1 ALA 43 HA -0.04 0.04 0.29 -0.75 4.34 3.87 2o7uG1 ALA 43 HB3 -0.04 0.02 0.10 -0.04 1.41 1.45 2o7uG1 SER 44 H -0.05 0.11 -0.12 -0.55 8.46 7.85 2o7uG1 SER 44 HA -0.01 0.35 0.78 -0.75 4.49 4.87 2o7uG1 SER 44 HB2 -0.04 0.02 0.26 -0.04 3.95 4.15 2o7uG1 SER 44 HB3 -0.06 0.14 -0.11 -0.04 3.93 3.86 2o7uG1 TYR 45 H 0.23 0.30 0.21 -0.55 8.29 8.48 2o7uG1 TYR 45 HA 0.04 0.13 0.45 -0.75 4.56 4.42 2o7uG1 TYR 45 HB2 0.06 0.06 0.06 -0.04 3.06 3.20 2o7uG1 TYR 45 HB3 0.11 0.04 0.16 -0.04 2.98 3.24 2o7uG1 TYR 45 HD2 0.07 0.02 -0.10 -0.04 7.15 7.10 2o7uG1 TYR 45 HE2 0.02 0.09 -0.03 -0.04 6.85 6.89 2o7uG1 LEU 46 H -0.91 0.09 -0.14 -0.55 8.37 6.87 2o7uG1 LEU 46 HA -0.46 0.14 0.38 -0.75 4.35 3.66 2o7uG1 LEU 46 HB2 -1.06 0.04 0.08 -0.04 1.64 0.65 2o7uG1 LEU 46 HB3 -0.43 -0.04 0.05 -0.04 1.64 1.18 2o7uG1 LEU 46 HG -0.18 0.01 -0.13 -0.04 1.64 1.29 2o7uG1 LEU 46 HD13 -0.11 0.02 -0.00 -0.04 0.93 0.79 2o7uG1 LEU 46 HD23 -0.13 0.02 -0.02 -0.04 0.89 0.72 2o7uG1 ASP 47 H -0.19 0.01 -0.30 -0.55 8.40 7.37 2o7uG1 ASP 47 HA -0.09 0.13 0.42 -0.75 4.63 4.34 2o7uG1 ASP 47 HB2 -0.07 -0.11 0.08 -0.04 2.71 2.57 2o7uG1 ASP 47 HB3 -0.05 0.07 -0.05 -0.04 2.70 2.63 2o7uG1 CYS 48 H -0.06 0.26 -0.40 -0.55 8.50 7.76 2o7uG1 CYS 48 HA -0.04 0.06 0.39 -0.75 4.58 4.24 2o7uG1 CYS 48 HB2 0.03 0.11 0.13 -0.04 2.97 3.20 2o7uG1 CYS 48 HB3 -0.03 0.02 -0.08 -0.04 2.97 2.83 2o7uG1 ILE 49 H -0.03 0.43 -0.15 -0.55 8.25 7.95 2o7uG1 ILE 49 HA -0.02 0.06 0.37 -0.75 4.18 3.83 2o7uG1 ILE 49 HB -0.04 0.08 0.16 -0.04 1.89 2.06 2o7uG1 ILE 49 HG12 0.06 0.01 -0.05 -0.04 1.49 1.47 2o7uG1 ILE 49 HG13 0.10 0.06 0.01 -0.04 1.21 1.33 2o7uG1 ILE 49 HG23 -0.01 0.02 -0.17 -0.04 0.93 0.73 2o7uG1 ILE 49 HD13 0.17 -0.03 -0.10 -0.04 0.88 0.88 2o7uG1 ARG 50 H -0.06 0.49 -0.09 -0.55 8.46 8.25 2o7uG1 ARG 50 HA -0.04 0.06 0.28 -0.75 4.34 3.89 2o7uG1 ARG 50 HB2 -0.06 0.02 0.11 -0.04 1.90 1.93 2o7uG1 ARG 50 HB3 -0.04 0.00 -0.00 -0.04 1.80 1.72 2o7uG1 ARG 50 HG2 -0.05 0.01 0.00 -0.04 1.67 1.59 2o7uG1 ARG 50 HG3 -0.07 0.07 0.03 -0.04 1.67 1.65 2o7uG1 ARG 50 HD2 -0.04 0.02 -0.02 -0.04 3.22 3.13 2o7uG1 ARG 50 HD3 -0.04 0.02 -0.02 -0.04 3.22 3.13 2o7uG1 ALA 51 H -0.05 0.33 -0.58 -0.55 8.40 7.56 2o7uG1 ALA 51 HA -0.03 0.03 0.42 -0.75 4.34 4.00 2o7uG1 ALA 51 HB3 -0.04 0.01 -0.01 -0.04 1.41 1.34 2o7uG1 ILE 52 H -0.05 0.71 -0.04 -0.55 8.25 8.32 2o7uG1 ILE 52 HA -0.06 0.18 0.43 -0.75 4.18 3.98 2o7uG1 ILE 52 HB -0.06 0.07 0.05 -0.04 1.89 1.91 2o7uG1 ILE 52 HG12 -0.13 -0.06 -0.70 -0.04 1.49 0.56 2o7uG1 ILE 52 HG13 -0.10 -0.10 -0.27 -0.04 1.21 0.70 2o7uG1 ILE 52 HG23 -0.06 0.02 -0.25 -0.04 0.93 0.60 2o7uG1 ILE 52 HD13 -0.16 -0.00 -0.41 -0.04 0.88 0.27 2o7uG1 ALA 53 H -0.04 0.61 -0.19 -0.55 8.40 8.24 2o7uG1 ALA 53 HA -0.02 0.07 0.48 -0.75 4.34 4.12 2o7uG1 ALA 53 HB3 -0.03 0.01 0.07 -0.04 1.41 1.42 2o7uG1 ALA 54 H -0.03 0.30 -0.26 -0.55 8.40 7.86 2o7uG1 ALA 54 HA -0.02 0.11 0.58 -0.75 4.34 4.25 2o7uG1 ALA 54 HB3 -0.02 -0.03 0.14 -0.04 1.41 1.45 2o7uG1 ASN 55 H -0.03 0.33 -0.54 -0.55 8.53 7.75 2o7uG1 ASN 55 HA -0.02 0.14 0.34 -0.75 4.76 4.47 2o7uG1 ASN 55 HB2 -0.01 0.01 -0.16 -0.04 2.88 2.67 2o7uG1 ASN 55 HB3 -0.01 0.13 0.19 -0.04 2.79 3.06 2o7uG1 ASN 55 HD21 -0.01 -0.05 0.06 -0.04 7.03 6.99 2o7uG1 ASN 55 HD22 -0.01 -0.01 0.06 -0.04 7.74 7.74 2o7uG1 GLU 56 H -0.03 0.45 -0.06 -0.55 8.60 8.42 2o7uG1 GLU 56 HA -0.02 0.14 0.76 -0.75 4.29 4.42 2o7uG1 GLU 56 HB2 -0.03 -0.02 0.02 -0.04 2.09 2.02 2o7uG1 GLU 56 HB3 -0.02 -0.08 0.02 -0.04 1.99 1.87 2o7uG1 GLU 56 HG2 -0.02 0.01 -0.05 -0.04 2.34 2.24 2o7uG1 GLU 56 HG3 -0.02 0.12 -0.20 -0.04 2.34 2.19 2o7uG1 ALA 57 H -0.04 0.31 -0.03 -0.55 8.40 8.09 2o7uG1 ALA 57 HA -0.03 0.14 0.55 -0.75 4.34 4.24 2o7uG1 ALA 57 HB3 -0.06 -0.01 -0.18 -0.04 1.41 1.12 2o7uG1 ASP 58 H -0.10 0.59 0.32 -0.55 8.40 8.66 2o7uG1 ASP 58 HA -0.07 0.28 1.10 -0.75 4.63 5.18 2o7uG1 ASP 58 HB2 -0.05 -0.12 0.10 -0.04 2.71 2.59 2o7uG1 ASP 58 HB3 -0.05 0.08 0.06 -0.04 2.70 2.75 2o7uG1 ALA 59 H -0.35 0.23 0.26 -0.55 8.40 7.99 2o7uG1 ALA 59 HA -0.38 0.43 1.01 -0.75 4.34 4.63 2o7uG1 ALA 59 HB3 -0.84 -0.00 -0.11 -0.04 1.41 0.42 2o7uG1 VAL 60 H -0.36 0.47 0.34 -0.55 8.24 8.13 2o7uG1 VAL 60 HA -0.47 0.12 0.57 -0.75 4.13 3.60 2o7uG1 VAL 60 HB -0.19 0.04 -0.11 -0.04 2.12 1.83 2o7uG1 VAL 60 HG13 -0.02 -0.00 -0.18 -0.04 0.97 0.72 2o7uG1 VAL 60 HG23 0.06 0.05 0.12 -0.04 0.95 1.15 2o7uG1 THR 61 H 0.23 0.20 0.19 -0.55 8.28 8.35 2o7uG1 THR 61 HA 0.21 0.27 1.13 -0.75 4.39 5.24 2o7uG1 THR 61 HB 0.27 -0.01 0.08 -0.04 4.32 4.63 2o7uG1 THR 61 HG23 0.46 -0.05 -0.29 -0.04 1.22 1.31 2o7uG1 LEU 62 H 0.15 0.96 0.37 -0.55 8.37 9.30 2o7uG1 LEU 62 HA 0.02 0.13 1.02 -0.75 4.35 4.76 2o7uG1 LEU 62 HB2 0.07 0.06 -0.02 -0.04 1.64 1.71 2o7uG1 LEU 62 HB3 0.01 -0.05 -0.07 -0.04 1.64 1.49 2o7uG1 LEU 62 HG 0.07 0.05 -0.34 -0.04 1.64 1.38 2o7uG1 LEU 62 HD13 0.10 0.01 -0.22 -0.04 0.93 0.78 2o7uG1 LEU 62 HD23 0.11 0.04 -0.19 -0.04 0.89 0.81 2o7uG1 ASP 63 H -0.25 0.14 0.16 -0.55 8.40 7.90 2o7uG1 ASP 63 HA -0.77 0.13 0.71 -0.75 4.63 3.94 2o7uG1 ASP 63 HB2 -0.60 0.08 0.16 -0.04 2.71 2.30 2o7uG1 ASP 63 HB3 -0.24 0.06 0.16 -0.04 2.70 2.64 2o7uG1 ALA 64 H 0.19 0.25 0.11 -0.55 8.40 8.41 2o7uG1 ALA 64 HA 0.26 0.14 0.22 -0.75 4.34 4.20 2o7uG1 ALA 64 HB3 0.24 0.08 0.07 -0.04 1.41 1.76 2o7uG1 GLY 65 H 0.21 -0.09 -0.13 -0.55 8.43 7.87 2o7uG1 GLY 65 HA2 0.18 0.12 0.41 -0.51 4.01 4.22 2o7uG1 GLY 65 HA3 0.16 0.13 0.32 -0.51 4.01 4.11 2o7uG1 LEU 66 H 0.03 0.18 -0.32 -0.55 8.37 7.71 2o7uG1 LEU 66 HA 0.07 0.12 0.46 -0.75 4.35 4.25 2o7uG1 LEU 66 HB2 -0.11 0.02 0.01 -0.04 1.64 1.52 2o7uG1 LEU 66 HB3 -0.10 0.02 -0.02 -0.04 1.64 1.50 2o7uG1 LEU 66 HG -0.20 -0.16 -0.14 -0.04 1.64 1.11 2o7uG1 LEU 66 HD13 -0.83 -0.03 -0.02 -0.04 0.93 0.01 2o7uG1 LEU 66 HD23 -0.26 0.06 -0.15 -0.04 0.89 0.50 2o7uG1 VAL 67 H 0.12 0.40 -0.17 -0.55 8.24 8.04 2o7uG1 VAL 67 HA 0.11 0.03 0.35 -0.75 4.13 3.87 2o7uG1 VAL 67 HB 0.23 0.15 0.07 -0.04 2.12 2.53 2o7uG1 VAL 67 HG13 0.13 0.00 -0.16 -0.04 0.97 0.90 2o7uG1 VAL 67 HG23 0.15 0.02 -0.22 -0.04 0.95 0.86 2o7uG1 TYR 68 H 0.28 0.51 -0.25 -0.55 8.29 8.27 2o7uG1 TYR 68 HA 0.15 0.00 0.36 -0.75 4.56 4.31 2o7uG1 TYR 68 HB2 0.04 -0.01 0.06 -0.04 3.06 3.11 2o7uG1 TYR 68 HB3 0.04 0.25 0.15 -0.04 2.98 3.37 2o7uG1 TYR 68 HD2 0.03 0.01 -0.08 -0.04 7.15 7.06 2o7uG1 TYR 68 HE2 0.01 -0.00 -0.06 -0.04 6.85 6.76 2o7uG1 ASP 69 H 0.20 0.27 -0.17 -0.55 8.40 8.15 2o7uG1 ASP 69 HA -0.05 0.03 0.44 -0.75 4.63 4.30 2o7uG1 ASP 69 HB2 0.14 0.05 0.18 -0.04 2.71 3.04 2o7uG1 ASP 69 HB3 0.09 -0.02 -0.01 -0.04 2.70 2.71 2o7uG1 ALA 70 H 0.08 0.47 -0.30 -0.55 8.40 8.10 2o7uG1 ALA 70 HA 0.02 -0.00 0.25 -0.75 4.34 3.86 2o7uG1 ALA 70 HB3 0.07 -0.01 0.02 -0.04 1.41 1.45 2o7uG1 TYR 71 H 0.07 0.38 -0.34 -0.55 8.29 7.85 2o7uG1 TYR 71 HA -0.05 0.09 0.69 -0.75 4.56 4.54 2o7uG1 TYR 71 HB2 -0.03 -0.04 0.16 -0.04 3.06 3.10 2o7uG1 TYR 71 HB3 -0.15 0.16 0.19 -0.04 2.98 3.14 2o7uG1 TYR 71 HD2 -0.13 0.07 0.04 -0.04 7.15 7.09 2o7uG1 TYR 71 HE2 -0.04 0.00 -0.02 -0.04 6.85 6.75 2o7uG1 LEU 72 H -0.31 0.31 -0.11 -0.55 8.37 7.71 2o7uG1 LEU 72 HA -0.72 -0.07 0.31 -0.75 4.35 3.12 2o7uG1 LEU 72 HB2 -0.23 0.23 0.17 -0.04 1.64 1.78 2o7uG1 LEU 72 HB3 -0.21 0.09 0.08 -0.04 1.64 1.56 2o7uG1 LEU 72 HG -0.29 -0.06 0.08 -0.04 1.64 1.33 2o7uG1 LEU 72 HD13 -0.65 0.04 0.03 -0.04 0.93 0.31 2o7uG1 LEU 72 HD23 -0.12 -0.01 0.03 -0.04 0.89 0.75 2o7uG1 ALA 73 H -0.26 0.06 0.19 -0.55 8.40 7.84 2o7uG1 ALA 73 HA -0.12 0.05 0.54 -0.75 4.34 4.06 2o7uG1 ALA 73 HB3 -0.10 0.02 0.12 -0.04 1.41 1.41 2o7uG1 PRO 74 HA -0.06 0.02 0.34 -0.51 4.44 4.23 2o7uG1 PRO 74 HB2 -0.03 0.08 0.11 -0.04 2.28 2.39 2o7uG1 PRO 74 HB3 -0.04 -0.00 0.09 -0.04 2.02 2.03 2o7uG1 PRO 74 HG2 -0.04 0.04 -0.01 -0.04 2.03 1.98 2o7uG1 PRO 74 HG3 -0.04 0.01 0.05 -0.04 2.03 2.01 2o7uG1 PRO 74 HD2 -0.05 0.06 0.09 -0.04 3.68 3.74 2o7uG1 PRO 74 HD3 -0.05 0.14 0.47 -0.04 3.65 4.17 2o7uG1 ASN 75 H -0.07 0.29 -0.03 -0.55 8.53 8.17 2o7uG1 ASN 75 HA -0.03 0.05 0.40 -0.75 4.76 4.42 2o7uG1 ASN 75 HB2 -0.05 0.27 0.03 -0.04 2.88 3.10 2o7uG1 ASN 75 HB3 -0.02 -0.07 -0.07 -0.04 2.79 2.58 2o7uG1 ASN 75 HD21 -0.04 -0.06 -0.11 -0.04 7.03 6.78 2o7uG1 ASN 75 HD22 -0.04 0.06 -0.14 -0.04 7.74 7.58 2o7uG1 ASN 76 H -0.08 0.45 -0.09 -0.55 8.53 8.26 2o7uG1 ASN 76 HA 0.03 0.28 0.42 -0.75 4.76 4.74 2o7uG1 ASN 76 HB2 -0.00 0.13 -0.28 -0.04 2.88 2.68 2o7uG1 ASN 76 HB3 0.04 -0.12 0.18 -0.04 2.79 2.84 2o7uG1 ASN 76 HD21 -0.06 -0.12 -0.02 -0.04 7.03 6.78 2o7uG1 ASN 76 HD22 0.05 0.12 0.06 -0.04 7.74 7.93 2o7uG1 LEU 77 H 0.06 0.52 0.17 -0.55 8.37 8.57 2o7uG1 LEU 77 HA 0.02 0.22 1.02 -0.75 4.35 4.86 2o7uG1 LEU 77 HB2 0.04 -0.08 -0.16 -0.04 1.64 1.40 2o7uG1 LEU 77 HB3 0.01 -0.06 -0.04 -0.04 1.64 1.51 2o7uG1 LEU 77 HG -0.00 0.04 -0.26 -0.04 1.64 1.38 2o7uG1 LEU 77 HD13 -0.01 -0.04 -0.15 -0.04 0.93 0.69 2o7uG1 LEU 77 HD23 -0.01 0.04 -0.39 -0.04 0.89 0.49 2o7uG1 LYS 78 H 0.00 0.68 0.25 -0.55 8.42 8.80 2o7uG1 LYS 78 HA -0.01 0.07 0.91 -0.75 4.32 4.54 2o7uG1 LYS 78 HB2 -0.01 0.03 -0.07 -0.04 1.87 1.78 2o7uG1 LYS 78 HB3 -0.03 0.15 -0.04 -0.04 1.79 1.84 2o7uG1 LYS 78 HG2 0.02 0.01 -0.22 -0.04 1.46 1.22 2o7uG1 LYS 78 HG3 -0.01 -0.03 -0.07 -0.04 1.46 1.32 2o7uG1 LYS 78 HD2 -0.04 -0.07 0.04 -0.04 1.69 1.57 2o7uG1 LYS 78 HD3 -0.01 0.14 0.08 -0.04 1.68 1.86 2o7uG1 LYS 78 HE2 0.06 -0.01 -0.05 -0.04 2.99 2.95 2o7uG1 LYS 78 HE3 0.07 0.07 -0.22 -0.04 2.99 2.88 2o7uG1 PRO 79 HA -0.08 0.10 0.54 -0.51 4.44 4.50 2o7uG1 PRO 79 HB2 -0.62 0.04 -0.11 -0.04 2.28 1.55 2o7uG1 PRO 79 HB3 -0.26 -0.04 -0.01 -0.04 2.02 1.67 2o7uG1 PRO 79 HG2 -0.21 0.17 -0.05 -0.04 2.03 1.90 2o7uG1 PRO 79 HG3 -0.13 -0.01 -0.05 -0.04 2.03 1.80 2o7uG1 PRO 79 HD2 -0.06 0.05 0.23 -0.04 3.68 3.87 2o7uG1 PRO 79 HD3 -0.02 0.11 0.09 -0.04 3.65 3.79 2o7uG1 VAL 80 H -0.03 0.52 0.37 -0.55 8.24 8.55 2o7uG1 VAL 80 HA -0.04 0.22 1.00 -0.75 4.13 4.56 2o7uG1 VAL 80 HB 0.00 0.08 -0.08 -0.04 2.12 2.08 2o7uG1 VAL 80 HG13 0.07 -0.03 -0.13 -0.04 0.97 0.84 2o7uG1 VAL 80 HG23 -0.01 -0.00 -0.22 -0.04 0.95 0.68 2o7uG1 VAL 81 H 0.07 0.22 0.31 -0.55 8.24 8.29 2o7uG1 VAL 81 HA 0.14 0.23 0.91 -0.75 4.13 4.65 2o7uG1 VAL 81 HB 0.16 -0.10 0.05 -0.04 2.12 2.19 2o7uG1 VAL 81 HG13 0.21 0.02 -0.25 -0.04 0.97 0.90 2o7uG1 VAL 81 HG23 0.34 0.01 -0.25 -0.04 0.95 1.01 2o7uG1 ALA 82 H 0.24 0.81 0.25 -0.55 8.40 9.16 2o7uG1 ALA 82 HA 0.28 0.10 0.92 -0.75 4.34 4.89 2o7uG1 ALA 82 HB3 0.28 0.02 -0.03 -0.04 1.41 1.64 2o7uG1 GLU 83 H 0.34 0.50 0.31 -0.55 8.60 9.20 2o7uG1 GLU 83 HA 0.17 0.25 0.81 -0.75 4.29 4.76 2o7uG1 GLU 83 HB2 0.08 -0.04 0.13 -0.04 2.09 2.21 2o7uG1 GLU 83 HB3 -0.39 -0.04 0.03 -0.04 1.99 1.55 2o7uG1 GLU 83 HG2 0.42 0.08 0.03 -0.04 2.34 2.84 2o7uG1 GLU 83 HG3 0.44 0.08 -0.01 -0.04 2.34 2.82 2o7uG1 PHE 84 H -0.47 0.46 0.25 -0.55 8.34 8.02 2o7uG1 PHE 84 HA -0.25 0.25 0.73 -0.75 4.62 4.59 2o7uG1 PHE 84 HB2 -0.06 0.01 -0.15 -0.04 3.15 2.91 2o7uG1 PHE 84 HB3 -0.01 0.03 -0.29 -0.04 3.06 2.74 2o7uG1 PHE 84 HD2 -0.03 0.06 -0.39 -0.04 7.28 6.88 2o7uG1 PHE 84 HE2 -0.03 0.05 -0.28 -0.04 7.38 7.08 2o7uG1 PHE 84 HZ -0.04 0.05 -0.12 -0.04 7.32 7.16 2o7uG1 TYR 85 H 0.16 0.79 0.35 -0.55 8.29 9.04 2o7uG1 TYR 85 HA -0.02 0.18 0.94 -0.75 4.56 4.91 2o7uG1 TYR 85 HB2 -0.10 0.07 0.09 -0.04 3.06 3.09 2o7uG1 TYR 85 HB3 -0.07 -0.07 0.17 -0.04 2.98 2.98 2o7uG1 TYR 85 HD2 -0.11 0.22 -0.29 -0.04 7.15 6.93 2o7uG1 TYR 85 HE2 -0.07 -0.10 -0.17 -0.04 6.85 6.47 2o7uG1 GLY 86 H 0.14 0.16 0.15 -0.55 8.43 8.34 2o7uG1 GLY 86 HA2 -0.07 -0.01 0.43 -0.51 4.01 3.86 2o7uG1 GLY 86 HA3 -0.06 0.13 0.63 -0.51 4.01 4.20 2o7uG1 SER 87 H -0.10 0.60 0.29 -0.55 8.46 8.71 2o7uG1 SER 87 HA -0.68 0.14 0.42 -0.75 4.49 3.62 2o7uG1 SER 87 HB2 -0.16 -0.02 0.14 -0.04 3.95 3.86 2o7uG1 SER 87 HB3 -0.19 0.12 -0.20 -0.04 3.93 3.62 2o7uG1 LYS 88 H -0.08 0.20 0.10 -0.55 8.42 8.08 2o7uG1 LYS 88 HA 0.36 0.13 0.41 -0.75 4.32 4.47 2o7uG1 LYS 88 HB2 0.03 -0.02 0.09 -0.04 1.87 1.92 2o7uG1 LYS 88 HB3 0.10 0.06 0.03 -0.04 1.79 1.93 2o7uG1 LYS 88 HG2 0.13 0.03 -0.04 -0.04 1.46 1.54 2o7uG1 LYS 88 HG3 0.02 -0.04 0.06 -0.04 1.46 1.46 2o7uG1 LYS 88 HD2 0.02 0.01 0.03 -0.04 1.69 1.71 2o7uG1 LYS 88 HD3 0.08 -0.02 0.02 -0.04 1.68 1.73 2o7uG1 LYS 88 HE2 -0.04 0.21 0.15 -0.04 2.99 3.27 2o7uG1 LYS 88 HE3 -0.01 -0.01 0.10 -0.04 2.99 3.02 2o7uG1 GLU 89 H -0.03 0.03 -0.12 -0.55 8.60 7.93 2o7uG1 GLU 89 HA -0.03 0.15 0.45 -0.75 4.29 4.11 2o7uG1 GLU 89 HB2 -0.03 -0.01 -0.04 -0.04 2.09 1.96 2o7uG1 GLU 89 HB3 -0.03 0.03 0.10 -0.04 1.99 2.05 2o7uG1 GLU 89 HG2 -0.02 0.03 0.01 -0.04 2.34 2.31 2o7uG1 GLU 89 HG3 -0.02 0.05 -0.02 -0.04 2.34 2.32 2o7uG1 ASP 90 H -0.04 0.09 -0.77 -0.55 8.40 7.13 2o7uG1 ASP 90 HA -0.04 0.18 0.59 -0.75 4.63 4.61 2o7uG1 ASP 90 HB2 -0.03 0.03 -0.24 -0.04 2.71 2.43 2o7uG1 ASP 90 HB3 -0.04 -0.10 0.06 -0.04 2.70 2.58 2o7uG1 PRO 91 HA -0.05 0.19 0.35 -0.51 4.44 4.42 2o7uG1 PRO 91 HB2 -0.47 -0.04 -0.01 -0.04 2.28 1.73 2o7uG1 PRO 91 HB3 -1.09 0.06 0.01 -0.04 2.02 0.96 2o7uG1 PRO 91 HG2 -0.18 -0.02 0.07 -0.04 2.03 1.86 2o7uG1 PRO 91 HG3 -0.29 0.09 0.02 -0.04 2.03 1.81 2o7uG1 PRO 91 HD2 -0.08 0.06 0.02 -0.04 3.68 3.64 2o7uG1 PRO 91 HD3 -0.12 0.19 -0.20 -0.04 3.65 3.48 2o7uG1 GLN 92 H 0.08 0.58 0.39 -0.55 8.47 8.97 2o7uG1 GLN 92 HA -0.07 0.12 0.72 -0.75 4.36 4.38 2o7uG1 GLN 92 HB2 -0.05 0.09 -0.04 -0.04 2.15 2.11 2o7uG1 GLN 92 HB3 -0.38 -0.04 0.03 -0.04 2.02 1.59 2o7uG1 GLN 92 HG2 -0.49 0.00 0.00 -0.04 2.40 1.87 2o7uG1 GLN 92 HG3 -0.12 0.12 -0.01 -0.04 2.39 2.33 2o7uG1 GLN 92 HE21 0.11 -0.05 -0.03 -0.04 6.97 6.96 2o7uG1 GLN 92 HE22 0.03 0.04 -0.03 -0.04 7.69 7.68 2o7uG1 THR 93 H 0.15 0.24 0.13 -0.55 8.28 8.25 2o7uG1 THR 93 HA 0.22 0.24 1.01 -0.75 4.39 5.10 2o7uG1 THR 93 HB 0.18 -0.05 0.28 -0.04 4.32 4.69 2o7uG1 THR 93 HG23 0.16 0.06 -0.08 -0.04 1.22 1.31 2o7uG1 PHE 94 H -0.22 0.24 -0.28 -0.55 8.34 7.53 2o7uG1 PHE 94 HA -0.02 0.18 0.78 -0.75 4.62 4.80 2o7uG1 PHE 94 HB2 -0.30 0.06 0.03 -0.04 3.15 2.91 2o7uG1 PHE 94 HB3 -0.12 0.07 -0.21 -0.04 3.06 2.75 2o7uG1 PHE 94 HD2 -0.37 -0.02 -0.24 -0.04 7.28 6.61 2o7uG1 PHE 94 HE2 -0.15 0.03 -0.07 -0.04 7.38 7.15 2o7uG1 PHE 94 HZ 0.02 0.04 -0.06 -0.04 7.32 7.28 2o7uG1 TYR 95 H -0.34 0.59 0.28 -0.55 8.29 8.27 2o7uG1 TYR 95 HA -0.57 0.19 0.57 -0.75 4.56 4.00 2o7uG1 TYR 95 HB2 -0.50 -0.16 0.21 -0.04 3.06 2.57 2o7uG1 TYR 95 HB3 -0.62 0.10 0.03 -0.04 2.98 2.44 2o7uG1 TYR 95 HD2 -0.16 0.02 -0.23 -0.04 7.15 6.74 2o7uG1 TYR 95 HE2 0.24 -0.01 -0.09 -0.04 6.85 6.94 2o7uG1 TYR 96 H -0.72 0.07 0.21 -0.55 8.29 7.30 2o7uG1 TYR 96 HA -0.21 0.35 1.16 -0.75 4.56 5.10 2o7uG1 TYR 96 HB2 -0.32 -0.11 0.11 -0.04 3.06 2.69 2o7uG1 TYR 96 HB3 -0.16 0.13 -0.03 -0.04 2.98 2.88 2o7uG1 TYR 96 HD2 -1.05 -0.03 -0.08 -0.04 7.15 5.94 2o7uG1 TYR 96 HE2 -0.02 0.04 -0.08 -0.04 6.85 6.74 2o7uG1 ALA 97 H 0.05 0.69 0.33 -0.55 8.40 8.93 2o7uG1 ALA 97 HA 0.19 0.09 0.78 -0.75 4.34 4.65 2o7uG1 ALA 97 HB3 0.10 -0.01 0.07 -0.04 1.41 1.53 2o7uG1 VAL 98 H 0.20 0.80 0.42 -0.55 8.24 9.10 2o7uG1 VAL 98 HA 0.20 0.14 1.01 -0.75 4.13 4.72 2o7uG1 VAL 98 HB 0.15 0.06 0.03 -0.04 2.12 2.32 2o7uG1 VAL 98 HG13 0.22 0.01 -0.12 -0.04 0.97 1.05 2o7uG1 VAL 98 HG23 0.13 -0.03 -0.27 -0.04 0.95 0.73 2o7uG1 ALA 99 H 0.14 0.29 0.17 -0.55 8.40 8.45 2o7uG1 ALA 99 HA 0.01 0.22 0.95 -0.75 4.34 4.76 2o7uG1 ALA 99 HB3 0.12 0.02 0.04 -0.04 1.41 1.55 2o7uG1 VAL 100 H -0.03 0.67 0.30 -0.55 8.24 8.63 2o7uG1 VAL 100 HA 0.06 0.22 0.82 -0.75 4.13 4.48 2o7uG1 VAL 100 HB 0.11 -0.03 0.11 -0.04 2.12 2.27 2o7uG1 VAL 100 HG13 0.14 0.02 -0.05 -0.04 0.97 1.04 2o7uG1 VAL 100 HG23 0.05 -0.02 -0.11 -0.04 0.95 0.83 2o7uG1 VAL 101 H 0.08 0.73 0.42 -0.55 8.24 8.92 2o7uG1 VAL 101 HA 0.06 0.23 0.84 -0.75 4.13 4.50 2o7uG1 VAL 101 HB -0.14 0.11 0.03 -0.04 2.12 2.08 2o7uG1 VAL 101 HG13 0.02 0.02 -0.29 -0.04 0.97 0.68 2o7uG1 VAL 101 HG23 -0.10 -0.03 -0.28 -0.04 0.95 0.50 2o7uG1 LYS 102 H -0.02 0.27 0.17 -0.55 8.42 8.29 2o7uG1 LYS 102 HA -0.26 0.12 0.82 -0.75 4.32 4.23 2o7uG1 LYS 102 HB2 -0.09 0.00 0.16 -0.04 1.87 1.90 2o7uG1 LYS 102 HB3 -0.17 0.11 0.05 -0.04 1.79 1.73 2o7uG1 LYS 102 HG2 -0.68 -0.04 -0.01 -0.04 1.46 0.69 2o7uG1 LYS 102 HG3 -0.16 0.05 -0.02 -0.04 1.46 1.28 2o7uG1 LYS 102 HD2 -0.15 0.00 0.03 -0.04 1.69 1.53 2o7uG1 LYS 102 HD3 -0.30 -0.00 0.05 -0.04 1.68 1.38 2o7uG1 LYS 102 HE2 -0.15 -0.05 0.03 -0.04 2.99 2.77 2o7uG1 LYS 102 HE3 -0.33 -0.09 0.00 -0.04 2.99 2.53 2o7uG1 LYS 103 H -0.17 0.80 0.31 -0.55 8.42 8.81 2o7uG1 LYS 103 HA -0.08 -0.09 0.25 -0.75 4.32 3.64 2o7uG1 LYS 103 HB2 -0.08 0.13 -0.17 -0.04 1.87 1.71 2o7uG1 LYS 103 HB3 -0.08 -0.01 -0.03 -0.04 1.79 1.64 2o7uG1 LYS 103 HG2 -0.05 -0.07 -0.05 -0.04 1.46 1.25 2o7uG1 LYS 103 HG3 -0.04 -0.06 -0.12 -0.04 1.46 1.21 2o7uG1 LYS 103 HD2 -0.03 0.29 0.07 -0.04 1.69 1.98 2o7uG1 LYS 103 HD3 -0.03 -0.07 -0.03 -0.04 1.68 1.51 2o7uG1 LYS 103 HE2 -0.01 -0.05 -0.04 -0.04 2.99 2.84 2o7uG1 LYS 103 HE3 -0.01 0.04 0.06 -0.04 2.99 3.03 2o7uG1 ASP 104 H -0.08 0.07 0.11 -0.55 8.40 7.95 2o7uG1 ASP 104 HA -0.06 -0.05 0.35 -0.75 4.63 4.11 2o7uG1 ASP 104 HB2 -0.05 0.17 -0.20 -0.04 2.71 2.59 2o7uG1 ASP 104 HB3 -0.04 -0.00 0.17 -0.04 2.70 2.79 2o7uG1 SER 105 H -0.14 0.14 -0.15 -0.55 8.46 7.77 2o7uG1 SER 105 HA -0.00 0.21 0.81 -0.75 4.49 4.75 2o7uG1 SER 105 HB2 0.15 -0.04 0.15 -0.04 3.95 4.17 2o7uG1 SER 105 HB3 -0.02 0.07 -0.02 -0.04 3.93 3.92 2o7uG1 GLY 106 H -0.11 -0.02 -0.14 -0.55 8.43 7.62 2o7uG1 GLY 106 HA2 -0.02 -0.03 0.26 -0.51 4.01 3.71 2o7uG1 GLY 106 HA3 0.04 0.16 0.43 -0.51 4.01 4.14 2o7uG1 PHE 107 H 0.26 0.35 -0.05 -0.55 8.34 8.34 2o7uG1 PHE 107 HA 0.01 -0.01 0.15 -0.75 4.62 4.01 2o7uG1 PHE 107 HB2 0.03 0.06 -0.03 -0.04 3.15 3.16 2o7uG1 PHE 107 HB3 0.01 0.05 0.07 -0.04 3.06 3.15 2o7uG1 PHE 107 HD2 0.03 0.12 -0.23 -0.04 7.28 7.16 2o7uG1 PHE 107 HE2 0.01 -0.02 -0.13 -0.04 7.38 7.19 2o7uG1 PHE 107 HZ -0.02 0.17 -0.17 -0.04 7.32 7.26 2o7uG1 GLN 108 H 0.18 0.10 0.07 -0.55 8.47 8.28 2o7uG1 GLN 108 HA 0.02 0.22 0.71 -0.75 4.36 4.55 2o7uG1 GLN 108 HB2 0.07 -0.03 -0.01 -0.04 2.15 2.14 2o7uG1 GLN 108 HB3 0.05 -0.17 0.09 -0.04 2.02 1.96 2o7uG1 GLN 108 HG2 0.02 0.03 -0.17 -0.04 2.40 2.24 2o7uG1 GLN 108 HG3 0.02 0.14 0.01 -0.04 2.39 2.52 2o7uG1 GLN 108 HE21 -0.04 -0.15 -0.13 -0.04 6.97 6.61 2o7uG1 GLN 108 HE22 -0.03 0.05 -0.09 -0.04 7.69 7.58 2o7uG1 MET 109 H 0.09 0.18 0.07 -0.55 8.47 8.26 2o7uG1 MET 109 HA 0.20 0.09 0.30 -0.75 4.52 4.35 2o7uG1 MET 109 HB2 0.10 0.08 0.04 -0.04 2.15 2.32 2o7uG1 MET 109 HB3 0.08 -0.05 0.10 -0.04 2.03 2.12 2o7uG1 MET 109 HG2 0.08 0.04 -0.07 -0.04 2.63 2.64 2o7uG1 MET 109 HG3 0.10 0.04 -0.22 -0.04 2.56 2.44 2o7uG1 MET 109 HE3 0.14 -0.01 -0.23 -0.04 2.10 1.96 2o7uG1 ASN 110 H 0.09 0.08 -0.18 -0.55 8.53 7.97 2o7uG1 ASN 110 HA 0.10 0.18 0.52 -0.75 4.76 4.80 2o7uG1 ASN 110 HB2 0.05 0.06 0.16 -0.04 2.88 3.10 2o7uG1 ASN 110 HB3 0.05 -0.00 0.06 -0.04 2.79 2.86 2o7uG1 ASN 110 HD21 0.03 -0.00 -0.03 -0.04 7.03 6.99 2o7uG1 ASN 110 HD22 0.03 0.02 0.02 -0.04 7.74 7.77 2o7uG1 GLN 111 H 0.15 0.49 -0.73 -0.55 8.47 7.83 2o7uG1 GLN 111 HA 0.05 0.21 0.87 -0.75 4.36 4.74 2o7uG1 GLN 111 HB2 0.18 -0.08 0.07 -0.04 2.15 2.28 2o7uG1 GLN 111 HB3 0.09 0.06 0.17 -0.04 2.02 2.29 2o7uG1 GLN 111 HG2 0.05 0.10 -0.07 -0.04 2.40 2.44 2o7uG1 GLN 111 HG3 0.08 -0.11 -0.34 -0.04 2.39 1.97 2o7uG1 GLN 111 HE21 0.04 0.01 -0.05 -0.04 6.97 6.93 2o7uG1 GLN 111 HE22 0.04 0.03 -0.04 -0.04 7.69 7.68 2o7uG1 LEU 112 H 0.16 0.24 -0.15 -0.55 8.37 8.07 2o7uG1 LEU 112 HA -0.01 0.07 0.25 -0.75 4.35 3.90 2o7uG1 LEU 112 HB2 0.34 0.06 0.04 -0.04 1.64 2.04 2o7uG1 LEU 112 HB3 0.41 -0.06 -0.05 -0.04 1.64 1.90 2o7uG1 LEU 112 HG 0.29 0.18 0.06 -0.04 1.64 2.13 2o7uG1 LEU 112 HD13 0.53 -0.03 -0.08 -0.04 0.93 1.31 2o7uG1 LEU 112 HD23 0.28 -0.02 -0.17 -0.04 0.89 0.94 2o7uG1 ARG 113 H -0.17 0.02 -0.37 -0.55 8.46 7.39 2o7uG1 ARG 113 HA -1.78 0.10 0.39 -0.75 4.34 2.30 2o7uG1 ARG 113 HB2 -0.32 -0.03 0.07 -0.04 1.90 1.57 2o7uG1 ARG 113 HB3 -0.26 -0.03 0.03 -0.04 1.80 1.50 2o7uG1 ARG 113 HG2 -0.32 0.01 -0.05 -0.04 1.67 1.27 2o7uG1 ARG 113 HG3 -0.75 0.11 0.12 -0.04 1.67 1.11 2o7uG1 ARG 113 HD2 -0.10 -0.07 -0.01 -0.04 3.22 3.01 2o7uG1 ARG 113 HD3 -0.09 -0.00 0.00 -0.04 3.22 3.09 2o7uG1 GLY 114 H -0.54 0.46 0.45 -0.55 8.43 8.27 2o7uG1 GLY 114 HA2 -0.13 0.00 0.27 -0.51 4.01 3.65 2o7uG1 GLY 114 HA3 -0.16 0.03 0.27 -0.51 4.01 3.64 2o7uG1 LYS 115 H -0.10 0.51 -0.15 -0.55 8.42 8.12 2o7uG1 LYS 115 HA -0.11 0.17 0.91 -0.75 4.32 4.53 2o7uG1 LYS 115 HB2 -0.14 -0.04 -0.07 -0.04 1.87 1.58 2o7uG1 LYS 115 HB3 -0.37 -0.08 0.11 -0.04 1.79 1.40 2o7uG1 LYS 115 HG2 -0.31 0.20 -0.17 -0.04 1.46 1.15 2o7uG1 LYS 115 HG3 -1.10 -0.09 -0.08 -0.04 1.46 0.15 2o7uG1 LYS 115 HD2 -0.49 -0.06 -0.00 -0.04 1.69 1.09 2o7uG1 LYS 115 HD3 -0.23 0.06 -0.20 -0.04 1.68 1.28 2o7uG1 LYS 115 HE2 -0.19 0.33 -0.05 -0.04 2.99 3.05 2o7uG1 LYS 115 HE3 -0.25 -0.14 -0.02 -0.04 2.99 2.54 2o7uG1 LYS 116 H -0.06 0.13 0.18 -0.55 8.42 8.12 2o7uG1 LYS 116 HA 0.03 0.34 0.75 -0.75 4.32 4.69 2o7uG1 LYS 116 HB2 -0.04 -0.15 0.24 -0.04 1.87 1.88 2o7uG1 LYS 116 HB3 -0.01 0.07 0.03 -0.04 1.79 1.84 2o7uG1 LYS 116 HG2 0.02 0.25 -0.03 -0.04 1.46 1.66 2o7uG1 LYS 116 HG3 -0.01 -0.11 0.08 -0.04 1.46 1.38 2o7uG1 LYS 116 HD2 -0.01 0.22 0.11 -0.04 1.69 1.97 2o7uG1 LYS 116 HD3 0.01 -0.02 0.04 -0.04 1.68 1.67 2o7uG1 LYS 116 HE2 -0.01 -0.06 0.05 -0.04 2.99 2.94 2o7uG1 LYS 116 HE3 0.00 0.00 0.04 -0.04 2.99 3.00 2o7uG1 SER 117 H -0.16 0.34 0.29 -0.55 8.46 8.38 2o7uG1 SER 117 HA -0.24 0.20 0.93 -0.75 4.49 4.62 2o7uG1 SER 117 HB2 -0.39 -0.01 -0.05 -0.04 3.95 3.46 2o7uG1 SER 117 HB3 -1.20 0.07 -0.11 -0.04 3.93 2.65 2o7uG1 CYS 118 H -0.26 0.65 0.36 -0.55 8.50 8.71 2o7uG1 CYS 118 HA -0.01 0.08 1.10 -0.75 4.58 5.00 2o7uG1 CYS 118 HB2 -0.12 -0.01 0.23 -0.04 2.97 3.02 2o7uG1 CYS 118 HB3 -0.09 0.02 0.14 -0.04 2.97 3.00 2o7uG1 HIS 119 H 0.23 0.60 0.34 -0.55 8.41 9.04 2o7uG1 HIS 119 HA 0.24 0.16 1.13 -0.75 4.63 5.41 2o7uG1 HIS 119 HB2 0.18 0.10 0.21 -0.04 3.26 3.71 2o7uG1 HIS 119 HB3 0.25 -0.14 0.06 -0.04 3.20 3.33 2o7uG1 HIS 119 HD2 0.11 0.02 -0.29 -0.04 6.97 6.76 2o7uG1 HIS 119 HE1 -0.18 -0.01 -0.06 -0.04 7.75 7.46 2o7uG1 THR 120 H 0.18 0.14 0.24 -0.55 8.28 8.29 2o7uG1 THR 120 HA -0.06 0.31 0.52 -0.75 4.39 4.41 2o7uG1 THR 120 HB -0.34 -0.17 -0.06 -0.04 4.32 3.72 2o7uG1 THR 120 HG23 -0.03 0.09 0.02 -0.04 1.22 1.26 2o7uG1 GLY 121 H 0.09 0.12 -0.10 -0.55 8.43 8.00 2o7uG1 GLY 121 HA2 0.00 0.24 0.34 -0.51 4.01 4.07 2o7uG1 GLY 121 HA3 -0.08 0.01 0.35 -0.51 4.01 3.77 2o7uG1 LEU 122 H -0.16 0.70 0.05 -0.55 8.37 8.42 2o7uG1 LEU 122 HA -1.03 0.01 0.43 -0.75 4.35 3.01 2o7uG1 LEU 122 HB2 -0.64 0.03 -0.01 -0.04 1.64 0.98 2o7uG1 LEU 122 HB3 -0.28 0.06 -0.01 -0.04 1.64 1.38 2o7uG1 LEU 122 HG -0.57 0.02 -0.28 -0.04 1.64 0.77 2o7uG1 LEU 122 HD13 -1.35 -0.01 -0.01 -0.04 0.93 -0.48 2o7uG1 LEU 122 HD23 -0.19 -0.01 -0.11 -0.04 0.89 0.54 2o7uG1 GLY 123 H -0.88 0.16 0.13 -0.55 8.43 7.30 2o7uG1 GLY 123 HA2 0.02 0.09 0.33 -0.51 4.01 3.93 2o7uG1 GLY 123 HA3 -0.07 0.16 0.56 -0.51 4.01 4.15 2o7uG1 ARG 124 H 0.00 0.45 -0.44 -0.55 8.46 7.93 2o7uG1 ARG 124 HA 0.04 -0.01 0.41 -0.75 4.34 4.02 2o7uG1 ARG 124 HB2 0.02 0.18 0.01 -0.04 1.90 2.08 2o7uG1 ARG 124 HB3 0.00 -0.20 0.05 -0.04 1.80 1.62 2o7uG1 ARG 124 HG2 -0.16 -0.10 -0.04 -0.04 1.67 1.33 2o7uG1 ARG 124 HG3 -0.16 0.18 -0.22 -0.04 1.67 1.43 2o7uG1 ARG 124 HD2 -0.23 0.06 -0.09 -0.04 3.22 2.92 2o7uG1 ARG 124 HD3 -0.19 0.06 -0.29 -0.04 3.22 2.76 2o7uG1 SER 125 H 0.16 0.04 0.14 -0.55 8.46 8.26 2o7uG1 SER 125 HA 0.23 0.21 0.30 -0.75 4.49 4.48 2o7uG1 SER 125 HB2 0.24 -0.13 0.21 -0.04 3.95 4.24 2o7uG1 SER 125 HB3 0.02 0.17 0.01 -0.04 3.93 4.09 2o7uG1 ALA 126 H 0.29 0.04 0.05 -0.55 8.40 8.24 2o7uG1 ALA 126 HA 0.18 0.16 0.24 -0.75 4.34 4.16 2o7uG1 ALA 126 HB3 0.38 0.04 -0.11 -0.04 1.41 1.68 2o7uG1 GLY 127 H 0.20 -0.15 -0.36 -0.55 8.43 7.57 2o7uG1 GLY 127 HA2 0.29 0.43 0.45 -0.51 4.01 4.67 2o7uG1 GLY 127 HA3 0.21 -0.22 0.34 -0.51 4.01 3.83 2o7uG1 TRP 128 H 0.26 0.12 -0.56 -0.55 7.97 7.24 2o7uG1 TRP 128 HA 0.04 0.20 0.87 -0.75 4.62 4.97 2o7uG1 TRP 128 HB2 0.01 0.06 -0.23 -0.04 3.23 3.02 2o7uG1 TRP 128 HB3 0.01 0.02 0.10 -0.04 3.23 3.32 2o7uG1 TRP 128 HD1 -0.02 0.08 -0.08 -0.04 7.22 7.15 2o7uG1 TRP 128 HE1 -0.05 0.12 -0.03 -0.04 10.20 10.21 2o7uG1 TRP 128 HE3 -0.40 0.07 -0.04 -0.04 7.59 7.18 2o7uG1 TRP 128 HZ2 -0.09 0.00 -0.09 -0.04 7.44 7.22 2o7uG1 TRP 128 HZ3 -0.43 0.05 -0.07 -0.04 7.13 6.64 2o7uG1 TRP 128 HH2 -0.12 0.02 -0.06 -0.04 7.19 7.00 2o7uG1 ASN 129 H 0.30 0.67 0.17 -0.55 8.53 9.13 2o7uG1 ASN 129 HA -0.01 0.05 0.18 -0.75 4.76 4.23 2o7uG1 ASN 129 HB2 0.19 -0.11 0.08 -0.04 2.88 3.00 2o7uG1 ASN 129 HB3 0.06 0.05 -0.04 -0.04 2.79 2.82 2o7uG1 ASN 129 HD21 0.07 0.10 0.06 -0.04 7.03 7.22 2o7uG1 ASN 129 HD22 0.09 -0.14 -0.02 -0.04 7.74 7.63 2o7uG1 ILE 130 H 0.06 0.46 -0.17 -0.55 8.25 8.06 2o7uG1 ILE 130 HA 0.01 0.10 0.41 -0.75 4.18 3.95 2o7uG1 ILE 130 HB 0.06 0.04 -0.01 -0.04 1.89 1.94 2o7uG1 ILE 130 HG12 0.11 -0.05 -0.13 -0.04 1.49 1.38 2o7uG1 ILE 130 HG13 0.02 -0.12 -0.22 -0.04 1.21 0.85 2o7uG1 ILE 130 HG23 0.05 0.00 -0.29 -0.04 0.93 0.65 2o7uG1 ILE 130 HD13 0.09 0.03 -0.14 -0.04 0.88 0.82 2o7uG1 PRO 131 HA -0.13 0.07 0.41 -0.51 4.44 4.28 2o7uG1 PRO 131 HB2 -0.72 0.02 -0.00 -0.04 2.28 1.53 2o7uG1 PRO 131 HB3 -1.09 0.03 -0.02 -0.04 2.02 0.91 2o7uG1 PRO 131 HG2 -0.34 0.09 -0.14 -0.04 2.03 1.60 2o7uG1 PRO 131 HG3 -0.04 0.00 -0.02 -0.04 2.03 1.93 2o7uG1 PRO 131 HD2 -0.06 -0.03 -0.38 -0.04 3.68 3.17 2o7uG1 PRO 131 HD3 0.03 0.01 0.01 -0.04 3.65 3.66 2o7uG1 ILE 132 H -0.46 0.52 -0.09 -0.55 8.25 7.67 2o7uG1 ILE 132 HA -0.39 0.03 0.28 -0.75 4.18 3.35 2o7uG1 ILE 132 HB -0.81 0.05 -0.06 -0.04 1.89 1.04 2o7uG1 ILE 132 HG12 -1.15 0.10 0.08 -0.04 1.49 0.47 2o7uG1 ILE 132 HG13 -2.89 -0.09 -0.04 -0.04 1.21 -1.85 2o7uG1 ILE 132 HG23 -0.47 -0.00 -0.10 -0.04 0.93 0.32 2o7uG1 ILE 132 HD13 -0.47 -0.01 -0.08 -0.04 0.88 0.29 2o7uG1 GLY 133 H -0.22 0.37 -0.38 -0.55 8.43 7.65 2o7uG1 GLY 133 HA2 -0.14 0.00 0.42 -0.51 4.01 3.79 2o7uG1 GLY 133 HA3 -0.11 0.11 0.33 -0.51 4.01 3.84 2o7uG1 LEU 134 H -0.10 0.44 -0.29 -0.55 8.37 7.88 2o7uG1 LEU 134 HA -0.04 0.03 0.42 -0.75 4.35 4.01 2o7uG1 LEU 134 HB2 -0.04 0.12 0.18 -0.04 1.64 1.85 2o7uG1 LEU 134 HB3 -0.01 -0.05 0.01 -0.04 1.64 1.54 2o7uG1 LEU 134 HG 0.01 -0.07 0.02 -0.04 1.64 1.56 2o7uG1 LEU 134 HD13 -0.00 -0.01 0.05 -0.04 0.93 0.93 2o7uG1 LEU 134 HD23 -0.01 0.03 -0.02 -0.04 0.89 0.85 2o7uG1 LEU 135 H -0.15 0.33 -0.31 -0.55 8.37 7.69 2o7uG1 LEU 135 HA -0.15 0.12 0.63 -0.75 4.35 4.20 2o7uG1 LEU 135 HB2 -0.28 0.05 0.02 -0.04 1.64 1.38 2o7uG1 LEU 135 HB3 -0.54 -0.01 -0.16 -0.04 1.64 0.89 2o7uG1 LEU 135 HG -0.46 0.01 -0.09 -0.04 1.64 1.05 2o7uG1 LEU 135 HD13 -0.01 0.01 -0.16 -0.04 0.93 0.74 2o7uG1 LEU 135 HD23 -0.08 -0.01 -0.17 -0.04 0.89 0.59 2o7uG1 TYR 136 H -0.05 0.59 -0.02 -0.55 8.29 8.26 2o7uG1 TYR 136 HA -0.21 -0.04 0.23 -0.75 4.56 3.79 2o7uG1 TYR 136 HB2 -0.16 0.04 0.09 -0.04 3.06 2.99 2o7uG1 TYR 136 HB3 -0.12 0.08 0.06 -0.04 2.98 2.96 2o7uG1 TYR 136 HD2 -0.09 -0.03 -0.14 -0.04 7.15 6.85 2o7uG1 TYR 136 HE2 -0.04 -0.03 -0.13 -0.04 6.85 6.60 2o7uG1 CYS 137 H -0.02 0.14 -0.59 -0.55 8.50 7.48 2o7uG1 CYS 137 HA -0.12 0.12 0.31 -0.75 4.58 4.14 2o7uG1 CYS 137 HB2 0.01 0.05 -0.01 -0.04 2.97 2.99 2o7uG1 CYS 137 HB3 0.00 -0.08 0.07 -0.04 2.97 2.92 2o7uG1 ASP 138 H -0.13 0.44 -0.14 -0.55 8.40 8.02 2o7uG1 ASP 138 HA -0.07 0.15 0.48 -0.75 4.63 4.43 2o7uG1 ASP 138 HB2 -0.00 -0.03 0.19 -0.04 2.71 2.83 2o7uG1 ASP 138 HB3 -0.02 -0.03 0.12 -0.04 2.70 2.73 2o7uG1 LEU 139 H -0.26 0.29 -0.29 -0.55 8.37 7.57 2o7uG1 LEU 139 HA -0.20 0.10 0.59 -0.75 4.35 4.10 2o7uG1 LEU 139 HB2 -0.37 0.14 -0.00 -0.04 1.64 1.37 2o7uG1 LEU 139 HB3 -0.21 0.07 -0.04 -0.04 1.64 1.42 2o7uG1 LEU 139 HG -0.39 -0.00 -0.38 -0.04 1.64 0.83 2o7uG1 LEU 139 HD13 -0.25 -0.04 -0.16 -0.04 0.93 0.44 2o7uG1 LEU 139 HD23 -0.77 0.02 -0.09 -0.04 0.89 0.02 2o7uG1 PRO 140 HA -0.04 0.05 0.59 -0.51 4.44 4.53 2o7uG1 PRO 140 HB2 -0.00 0.09 -0.11 -0.04 2.28 2.22 2o7uG1 PRO 140 HB3 0.01 -0.00 0.00 -0.04 2.02 1.99 2o7uG1 PRO 140 HG2 0.01 0.03 -0.04 -0.04 2.03 1.99 2o7uG1 PRO 140 HG3 0.05 0.06 -0.05 -0.04 2.03 2.04 2o7uG1 PRO 140 HD2 -0.02 0.14 0.13 -0.04 3.68 3.89 2o7uG1 PRO 140 HD3 0.13 0.13 0.09 -0.04 3.65 3.96 2o7uG1 GLU 141 H -0.04 0.09 0.09 -0.55 8.60 8.19 2o7uG1 GLU 141 HA -0.06 -0.04 0.45 -0.75 4.29 3.89 2o7uG1 GLU 141 HB2 -0.02 0.01 0.04 -0.04 2.09 2.07 2o7uG1 GLU 141 HB3 -0.03 -0.07 0.07 -0.04 1.99 1.92 2o7uG1 GLU 141 HG2 -0.08 0.10 -0.05 -0.04 2.34 2.27 2o7uG1 GLU 141 HG3 -0.04 0.01 0.07 -0.04 2.34 2.35 2o7uG1 PRO 142 HA -0.02 -0.07 0.41 -0.51 4.44 4.25 2o7uG1 PRO 142 HB2 0.02 0.11 0.03 -0.04 2.28 2.39 2o7uG1 PRO 142 HB3 0.01 -0.02 0.11 -0.04 2.02 2.08 2o7uG1 PRO 142 HG2 0.02 0.06 0.07 -0.04 2.03 2.14 2o7uG1 PRO 142 HG3 0.02 -0.00 0.09 -0.04 2.03 2.10 2o7uG1 PRO 142 HD2 0.01 0.13 0.18 -0.04 3.68 3.95 2o7uG1 PRO 142 HD3 0.01 0.05 0.24 -0.04 3.65 3.91 2o7uG1 ARG 143 H -0.05 0.09 0.10 -0.55 8.46 8.04 2o7uG1 ARG 143 HA -0.11 0.24 0.45 -0.75 4.34 4.16 2o7uG1 ARG 143 HB2 -0.14 -0.04 -0.05 -0.04 1.90 1.62 2o7uG1 ARG 143 HB3 -0.51 0.01 0.03 -0.04 1.80 1.29 2o7uG1 ARG 143 HG2 -0.28 0.18 -0.35 -0.04 1.67 1.18 2o7uG1 ARG 143 HG3 -0.20 -0.15 -0.08 -0.04 1.67 1.20 2o7uG1 ARG 143 HD2 -0.63 -0.10 -0.10 -0.04 3.22 2.35 2o7uG1 ARG 143 HD3 -1.29 0.12 -0.03 -0.04 3.22 1.99 2o7uG1 LYS 144 H 0.02 0.04 -0.38 -0.55 8.42 7.54 2o7uG1 LYS 144 HA 0.07 -0.02 0.72 -0.75 4.32 4.33 2o7uG1 LYS 144 HB2 0.06 -0.01 -0.09 -0.04 1.87 1.79 2o7uG1 LYS 144 HB3 0.05 0.01 0.00 -0.04 1.79 1.81 2o7uG1 LYS 144 HG2 0.06 -0.04 -0.02 -0.04 1.46 1.43 2o7uG1 LYS 144 HG3 0.08 -0.00 0.03 -0.04 1.46 1.52 2o7uG1 LYS 144 HD2 0.06 0.06 -0.02 -0.04 1.69 1.75 2o7uG1 LYS 144 HD3 0.05 -0.04 -0.01 -0.04 1.68 1.64 2o7uG1 LYS 144 HE2 0.04 -0.07 0.02 -0.04 2.99 2.94 2o7uG1 LYS 144 HE3 0.05 0.04 0.07 -0.04 2.99 3.10 2o7uG1 PRO 145 HA 0.07 0.11 0.39 -0.51 4.44 4.50 2o7uG1 PRO 145 HB2 0.05 -0.13 0.02 -0.04 2.28 2.18 2o7uG1 PRO 145 HB3 0.11 0.08 0.11 -0.04 2.02 2.28 2o7uG1 PRO 145 HG2 0.25 -0.09 0.02 -0.04 2.03 2.17 2o7uG1 PRO 145 HG3 0.23 0.07 0.07 -0.04 2.03 2.36 2o7uG1 PRO 145 HD2 0.12 0.14 0.19 -0.04 3.68 4.09 2o7uG1 PRO 145 HD3 0.10 0.13 0.25 -0.04 3.65 4.09 2o7uG1 LEU 146 H 0.05 0.13 0.17 -0.55 8.37 8.17 2o7uG1 LEU 146 HA 0.08 0.40 0.40 -0.75 4.35 4.47 2o7uG1 LEU 146 HB2 0.14 0.11 0.12 -0.04 1.64 1.97 2o7uG1 LEU 146 HB3 0.15 -0.12 0.15 -0.04 1.64 1.78 2o7uG1 LEU 146 HG 0.20 -0.11 -0.15 -0.04 1.64 1.53 2o7uG1 LEU 146 HD13 0.19 0.03 -0.02 -0.04 0.93 1.08 2o7uG1 LEU 146 HD23 0.22 0.04 -0.01 -0.04 0.89 1.10 2o7uG1 GLU 147 H -0.17 0.07 -0.04 -0.55 8.60 7.91 2o7uG1 GLU 147 HA 0.01 0.05 0.30 -0.75 4.29 3.89 2o7uG1 GLU 147 HB2 -1.69 0.01 0.04 -0.04 2.09 0.41 2o7uG1 GLU 147 HB3 -1.23 0.03 -0.02 -0.04 1.99 0.73 2o7uG1 GLU 147 HG2 -0.39 -0.04 0.04 -0.04 2.34 1.91 2o7uG1 GLU 147 HG3 -0.24 0.01 0.04 -0.04 2.34 2.12 2o7uG1 LYS 148 H -0.22 0.12 -0.41 -0.55 8.42 7.36 2o7uG1 LYS 148 HA 0.17 -0.00 0.43 -0.75 4.32 4.16 2o7uG1 LYS 148 HB2 0.30 -0.10 0.02 -0.04 1.87 2.05 2o7uG1 LYS 148 HB3 0.10 0.25 -0.05 -0.04 1.79 2.04 2o7uG1 LYS 148 HG2 0.11 0.08 -0.18 -0.04 1.46 1.43 2o7uG1 LYS 148 HG3 0.20 -0.06 0.02 -0.04 1.46 1.57 2o7uG1 LYS 148 HD2 0.15 -0.04 0.00 -0.04 1.69 1.76 2o7uG1 LYS 148 HD3 0.14 0.03 -0.03 -0.04 1.68 1.78 2o7uG1 LYS 148 HE2 0.07 -0.00 -0.02 -0.04 2.99 3.00 2o7uG1 LYS 148 HE3 0.07 0.08 -0.08 -0.04 2.99 3.02 2o7uG1 ALA 149 H 0.01 0.34 -0.18 -0.55 8.40 8.03 2o7uG1 ALA 149 HA 0.02 0.11 0.39 -0.75 4.34 4.10 2o7uG1 ALA 149 HB3 -0.06 0.05 0.08 -0.04 1.41 1.44 2o7uG1 VAL 150 H 0.04 0.52 -0.08 -0.55 8.24 8.17 2o7uG1 VAL 150 HA -0.00 0.08 0.49 -0.75 4.13 3.95 2o7uG1 VAL 150 HB 0.22 0.00 0.07 -0.04 2.12 2.38 2o7uG1 VAL 150 HG13 0.29 -0.02 -0.16 -0.04 0.97 1.03 2o7uG1 VAL 150 HG23 -0.22 0.02 -0.04 -0.04 0.95 0.68 2o7uG1 ALA 151 H 0.13 0.54 -0.12 -0.55 8.40 8.41 2o7uG1 ALA 151 HA 0.25 -0.06 0.21 -0.75 4.34 3.98 2o7uG1 ALA 151 HB3 0.17 -0.02 0.04 -0.04 1.41 1.56 2o7uG1 ASN 152 H 0.12 0.41 -0.30 -0.55 8.53 8.22 2o7uG1 ASN 152 HA 0.09 0.04 0.60 -0.75 4.76 4.74 2o7uG1 ASN 152 HB2 0.07 0.12 0.06 -0.04 2.88 3.09 2o7uG1 ASN 152 HB3 0.05 -0.05 0.04 -0.04 2.79 2.80 2o7uG1 ASN 152 HD21 0.07 -0.10 -0.04 -0.04 7.03 6.92 2o7uG1 ASN 152 HD22 0.05 0.03 -0.06 -0.04 7.74 7.72 2o7uG1 PHE 153 H 0.18 0.23 -0.37 -0.55 8.34 7.83 2o7uG1 PHE 153 HA -0.11 0.02 0.48 -0.75 4.62 4.25 2o7uG1 PHE 153 HB2 -0.17 0.09 0.16 -0.04 3.15 3.19 2o7uG1 PHE 153 HB3 -0.27 0.07 0.24 -0.04 3.06 3.07 2o7uG1 PHE 153 HD2 -0.95 0.01 -0.07 -0.04 7.28 6.23 2o7uG1 PHE 153 HE2 -0.41 0.03 -0.14 -0.04 7.38 6.82 2o7uG1 PHE 153 HZ -0.16 -0.11 -0.14 -0.04 7.32 6.87 2o7uG1 PHE 154 H 0.25 0.32 0.04 -0.55 8.34 8.40 2o7uG1 PHE 154 HA -0.11 0.03 0.80 -0.75 4.62 4.57 2o7uG1 PHE 154 HB2 0.16 -0.09 -0.04 -0.04 3.15 3.13 2o7uG1 PHE 154 HB3 0.09 0.18 0.13 -0.04 3.06 3.41 2o7uG1 PHE 154 HD2 0.17 0.18 -0.04 -0.04 7.28 7.55 2o7uG1 PHE 154 HE2 0.23 -0.04 -0.11 -0.04 7.38 7.41 2o7uG1 PHE 154 HZ 0.30 -0.05 -0.13 -0.04 7.32 7.40 2o7uG1 SER 155 H 0.13 0.34 -0.19 -0.55 8.46 8.19 2o7uG1 SER 155 HA 0.06 0.20 0.83 -0.75 4.49 4.83 2o7uG1 SER 155 HB2 0.02 -0.06 0.12 -0.04 3.95 3.99 2o7uG1 SER 155 HB3 -0.01 0.03 0.05 -0.04 3.93 3.96 2o7uG1 GLY 156 H 0.17 0.30 -0.55 -0.55 8.43 7.80 2o7uG1 GLY 156 HA2 0.12 0.18 0.47 -0.51 4.01 4.27 2o7uG1 GLY 156 HA3 0.08 0.12 0.72 -0.51 4.01 4.42 2o7uG1 SER 157 H 0.12 0.38 0.33 -0.55 8.46 8.74 2o7uG1 SER 157 HA 0.04 0.23 0.62 -0.75 4.49 4.63 2o7uG1 SER 157 HB2 0.21 -0.04 0.03 -0.04 3.95 4.11 2o7uG1 SER 157 HB3 -0.05 -0.07 0.07 -0.04 3.93 3.84 2o7uG1 CYS 158 H 0.16 0.55 0.23 -0.55 8.50 8.89 2o7uG1 CYS 158 HA 0.14 0.14 0.83 -0.75 4.58 4.94 2o7uG1 CYS 158 HB2 0.14 -0.02 -0.12 -0.04 2.97 2.93 2o7uG1 CYS 158 HB3 0.12 -0.01 0.23 -0.04 2.97 3.27 2o7uG1 ALA 159 H 0.11 0.60 0.06 -0.55 8.40 8.62 2o7uG1 ALA 159 HA 0.09 0.12 0.76 -0.75 4.34 4.55 2o7uG1 ALA 159 HB3 -0.10 -0.01 0.04 -0.04 1.41 1.29 2o7uG1 PRO 160 HA 0.14 0.02 0.18 -0.51 4.44 4.27 2o7uG1 PRO 160 HB2 0.21 -0.10 0.10 -0.04 2.28 2.46 2o7uG1 PRO 160 HB3 0.42 0.22 0.10 -0.04 2.02 2.72 2o7uG1 PRO 160 HG2 0.10 0.15 -0.03 -0.04 2.03 2.21 2o7uG1 PRO 160 HG3 0.22 0.03 -0.15 -0.04 2.03 2.09 2o7uG1 PRO 160 HD2 0.11 -0.12 -0.36 -0.04 3.68 3.27 2o7uG1 PRO 160 HD3 0.17 0.31 -0.45 -0.04 3.65 3.64 2o7uG1 CYS 161 H 0.10 0.66 0.08 -0.55 8.50 8.79 2o7uG1 CYS 161 HA 0.07 0.03 0.41 -0.75 4.58 4.33 2o7uG1 CYS 161 HB2 0.07 0.13 0.37 -0.04 2.97 3.49 2o7uG1 CYS 161 HB3 0.16 -0.07 0.20 -0.04 2.97 3.21 2o7uG1 ALA 162 H -0.01 0.49 -0.20 -0.55 8.40 8.12 2o7uG1 ALA 162 HA -0.04 0.03 0.57 -0.75 4.34 4.15 2o7uG1 ALA 162 HB3 -0.06 -0.01 0.02 -0.04 1.41 1.33 2o7uG1 ASP 163 H 0.18 0.12 0.09 -0.55 8.40 8.23 2o7uG1 ASP 163 HA 0.05 0.15 0.66 -0.75 4.63 4.74 2o7uG1 ASP 163 HB2 0.09 0.08 0.08 -0.04 2.71 2.92 2o7uG1 ASP 163 HB3 0.14 -0.02 0.15 -0.04 2.70 2.92 2o7uG1 GLY 164 H 0.04 0.34 0.07 -0.55 8.43 8.33 2o7uG1 GLY 164 HA2 0.07 0.11 0.17 -0.51 4.01 3.85 2o7uG1 GLY 164 HA3 0.04 0.05 0.21 -0.51 4.01 3.79 2o7uG1 THR 165 H -0.02 0.08 -0.16 -0.55 8.28 7.63 2o7uG1 THR 165 HA -0.03 0.14 0.35 -0.75 4.39 4.11 2o7uG1 THR 165 HB -0.05 0.06 0.08 -0.04 4.32 4.38 2o7uG1 THR 165 HG23 -0.02 -0.00 0.00 -0.04 1.22 1.17 2o7uG1 ASP 166 H -0.15 0.11 -0.68 -0.55 8.40 7.13 2o7uG1 ASP 166 HA -0.31 0.24 0.91 -0.75 4.63 4.71 2o7uG1 ASP 166 HB2 -0.43 -0.10 -0.01 -0.04 2.71 2.13 2o7uG1 ASP 166 HB3 -1.68 -0.00 -0.09 -0.04 2.70 0.89 2o7uG1 PHE 167 H -0.08 0.39 -0.07 -0.55 8.34 8.03 2o7uG1 PHE 167 HA 0.05 0.24 0.75 -0.75 4.62 4.90 2o7uG1 PHE 167 HB2 0.05 -0.07 0.11 -0.04 3.15 3.21 2o7uG1 PHE 167 HB3 0.07 0.07 -0.02 -0.04 3.06 3.14 2o7uG1 PHE 167 HD2 0.04 0.07 -0.07 -0.04 7.28 7.28 2o7uG1 PHE 167 HE2 0.03 0.02 -0.03 -0.04 7.38 7.35 2o7uG1 PHE 167 HZ 0.03 0.03 -0.03 -0.04 7.32 7.30 2o7uG1 PRO 168 HA 0.07 0.11 0.26 -0.51 4.44 4.36 2o7uG1 PRO 168 HB2 0.05 0.03 -0.04 -0.04 2.28 2.29 2o7uG1 PRO 168 HB3 0.04 0.01 0.05 -0.04 2.02 2.07 2o7uG1 PRO 168 HG2 0.02 0.05 -0.03 -0.04 2.03 2.03 2o7uG1 PRO 168 HG3 0.00 0.11 -0.06 -0.04 2.03 2.04 2o7uG1 PRO 168 HD2 0.07 0.10 0.01 -0.04 3.68 3.81 2o7uG1 PRO 168 HD3 -0.01 0.22 -0.53 -0.04 3.65 3.29 2o7uG1 GLN 169 H 0.13 0.16 -0.37 -0.55 8.47 7.84 2o7uG1 GLN 169 HA 0.10 0.10 0.42 -0.75 4.36 4.22 2o7uG1 GLN 169 HB2 0.11 0.00 0.03 -0.04 2.15 2.25 2o7uG1 GLN 169 HB3 0.14 0.06 -0.04 -0.04 2.02 2.14 2o7uG1 GLN 169 HG2 0.12 -0.06 0.08 -0.04 2.40 2.50 2o7uG1 GLN 169 HG3 0.09 -0.04 0.07 -0.04 2.39 2.46 2o7uG1 GLN 169 HE21 0.06 0.03 0.01 -0.04 6.97 7.03 2o7uG1 GLN 169 HE22 0.07 -0.10 -0.11 -0.04 7.69 7.51 2o7uG1 LEU 170 H 0.17 0.55 -0.25 -0.55 8.37 8.29 2o7uG1 LEU 170 HA 0.15 0.08 0.54 -0.75 4.35 4.37 2o7uG1 LEU 170 HB2 0.16 0.17 0.02 -0.04 1.64 1.94 2o7uG1 LEU 170 HB3 0.09 -0.11 0.05 -0.04 1.64 1.62 2o7uG1 LEU 170 HG 0.17 0.04 -0.01 -0.04 1.64 1.80 2o7uG1 LEU 170 HD13 0.01 -0.02 0.02 -0.04 0.93 0.91 2o7uG1 LEU 170 HD23 0.23 -0.00 -0.13 -0.04 0.89 0.95 2o7uG1 CYS 171 H 0.11 0.44 -0.45 -0.55 8.50 8.05 2o7uG1 CYS 171 HA 0.10 0.10 0.82 -0.75 4.58 4.85 2o7uG1 CYS 171 HB2 0.08 0.15 0.03 -0.04 2.97 3.19 2o7uG1 CYS 171 HB3 0.08 -0.13 0.06 -0.04 2.97 2.93 2o7uG1 GLN 172 H 0.10 0.27 -0.10 -0.55 8.47 8.19 2o7uG1 GLN 172 HA 0.07 0.06 0.41 -0.75 4.36 4.15 2o7uG1 GLN 172 HB2 0.08 0.03 0.24 -0.04 2.15 2.46 2o7uG1 GLN 172 HB3 0.08 -0.01 0.08 -0.04 2.02 2.13 2o7uG1 GLN 172 HG2 0.06 0.03 -0.06 -0.04 2.40 2.39 2o7uG1 GLN 172 HG3 0.06 -0.05 0.06 -0.04 2.39 2.41 2o7uG1 GLN 172 HE21 0.06 0.06 -0.10 -0.04 6.97 6.94 2o7uG1 GLN 172 HE22 0.06 -0.10 0.01 -0.04 7.69 7.63 2o7uG1 LEU 173 H 0.10 0.33 -0.29 -0.55 8.37 7.96 2o7uG1 LEU 173 HA 0.11 0.18 0.43 -0.75 4.35 4.31 2o7uG1 LEU 173 HB2 0.08 -0.07 -0.37 -0.04 1.64 1.24 2o7uG1 LEU 173 HB3 0.08 -0.03 -0.10 -0.04 1.64 1.54 2o7uG1 LEU 173 HG -0.00 0.04 -0.22 -0.04 1.64 1.42 2o7uG1 LEU 173 HD13 0.04 0.02 -0.25 -0.04 0.93 0.70 2o7uG1 LEU 173 HD23 -0.03 -0.04 -0.29 -0.04 0.89 0.49 2o7uG1 CYS 174 H 0.13 0.13 -0.75 -0.55 8.50 7.46 2o7uG1 CYS 174 HA 0.11 0.17 0.59 -0.75 4.58 4.70 2o7uG1 CYS 174 HB2 0.13 -0.09 0.05 -0.04 2.97 3.01 2o7uG1 CYS 174 HB3 0.32 0.12 -0.19 -0.04 2.97 3.18 2o7uG1 PRO 175 HA 0.05 0.07 0.45 -0.51 4.44 4.50 2o7uG1 PRO 175 HB2 0.03 -0.04 0.07 -0.04 2.28 2.31 2o7uG1 PRO 175 HB3 0.03 0.01 0.09 -0.04 2.02 2.11 2o7uG1 PRO 175 HG2 0.04 0.01 0.06 -0.04 2.03 2.10 2o7uG1 PRO 175 HG3 0.05 0.14 0.10 -0.04 2.03 2.27 2o7uG1 PRO 175 HD2 0.05 0.05 0.08 -0.04 3.68 3.81 2o7uG1 PRO 175 HD3 0.08 0.30 -0.17 -0.04 3.65 3.81 2o7uG1 GLY 176 H 0.04 0.15 0.17 -0.55 8.43 8.25 2o7uG1 GLY 176 HA2 0.03 -0.04 0.34 -0.51 4.01 3.83 2o7uG1 GLY 176 HA3 0.02 0.12 0.57 -0.51 4.01 4.21 2o7uG1 CYS 177 H 0.07 0.54 -0.15 -0.55 8.50 8.41 2o7uG1 CYS 177 HA 0.10 0.09 0.26 -0.75 4.58 4.27 2o7uG1 CYS 177 HB2 0.06 0.12 -0.16 -0.04 2.97 2.95 2o7uG1 CYS 177 HB3 0.06 -0.19 0.20 -0.04 2.97 3.00 2o7uG1 GLY 178 H 0.06 0.18 -0.14 -0.55 8.43 7.99 2o7uG1 GLY 178 HA2 0.02 0.10 0.36 -0.51 4.01 3.97 2o7uG1 GLY 178 HA3 0.01 0.01 0.29 -0.51 4.01 3.80 2o7uG1 CYS 179 H -0.02 0.17 0.19 -0.55 8.50 8.29 2o7uG1 CYS 179 HA 0.18 0.16 0.66 -0.75 4.58 4.82 2o7uG1 CYS 179 HB2 0.07 0.12 0.21 -0.04 2.97 3.32 2o7uG1 CYS 179 HB3 0.01 -0.00 0.28 -0.04 2.97 3.21 2o7uG1 SER 180 H -0.46 0.46 -0.14 -0.55 8.46 7.78 2o7uG1 SER 180 HA -0.94 0.10 0.58 -0.75 4.49 3.46 2o7uG1 SER 180 HB2 -0.21 0.01 0.08 -0.04 3.95 3.78 2o7uG1 SER 180 HB3 -0.19 0.30 -0.24 -0.04 3.93 3.76 2o7uG1 THR 181 H -0.23 0.19 0.14 -0.55 8.28 7.82 2o7uG1 THR 181 HA 0.06 0.23 0.33 -0.75 4.39 4.25 2o7uG1 THR 181 HB 0.19 0.11 0.10 -0.04 4.32 4.68 2o7uG1 THR 181 HG23 0.21 0.01 0.01 -0.04 1.22 1.41 2o7uG1 LEU 182 H -0.09 -0.06 -0.38 -0.55 8.37 7.29 2o7uG1 LEU 182 HA 0.03 0.11 0.55 -0.75 4.35 4.28 2o7uG1 LEU 182 HB2 -0.08 -0.08 0.01 -0.04 1.64 1.44 2o7uG1 LEU 182 HB3 -0.04 0.08 -0.05 -0.04 1.64 1.59 2o7uG1 LEU 182 HG -0.07 0.09 0.05 -0.04 1.64 1.67 2o7uG1 LEU 182 HD13 -0.18 -0.02 0.02 -0.04 0.93 0.72 2o7uG1 LEU 182 HD23 -0.07 0.01 0.01 -0.04 0.89 0.80 2o7uG1 ASN 183 H -0.06 0.22 -0.20 -0.55 8.53 7.94 2o7uG1 ASN 183 HA 0.00 0.10 0.70 -0.75 4.76 4.80 2o7uG1 ASN 183 HB2 0.03 -0.12 0.12 -0.04 2.88 2.86 2o7uG1 ASN 183 HB3 0.05 0.17 0.20 -0.04 2.79 3.17 2o7uG1 ASN 183 HD21 0.21 0.01 -0.12 -0.04 7.03 7.08 2o7uG1 ASN 183 HD22 0.21 0.63 0.12 -0.04 7.74 8.66 2o7uG1 GLN 184 H -0.08 0.21 0.14 -0.55 8.47 8.19 2o7uG1 GLN 184 HA 0.05 0.14 0.22 -0.75 4.36 4.01 2o7uG1 GLN 184 HB2 -0.06 0.01 0.12 -0.04 2.15 2.18 2o7uG1 GLN 184 HB3 -0.10 0.04 0.13 -0.04 2.02 2.06 2o7uG1 GLN 184 HG2 -0.55 -0.03 0.03 -0.04 2.40 1.80 2o7uG1 GLN 184 HG3 -0.89 0.04 -0.38 -0.04 2.39 1.12 2o7uG1 GLN 184 HE21 -0.14 0.02 -0.01 -0.04 6.97 6.80 2o7uG1 GLN 184 HE22 -0.68 0.04 -0.02 -0.04 7.69 6.99 2o7uG1 TYR 185 H 0.06 0.02 -0.39 -0.55 8.29 7.43 2o7uG1 TYR 185 HA 0.10 0.29 0.79 -0.75 4.56 4.98 2o7uG1 TYR 185 HB2 0.09 -0.06 -0.06 -0.04 3.06 3.00 2o7uG1 TYR 185 HB3 0.08 0.01 0.02 -0.04 2.98 3.05 2o7uG1 TYR 185 HD2 0.06 0.11 -0.10 -0.04 7.15 7.17 2o7uG1 TYR 185 HE2 0.03 0.10 -0.13 -0.04 6.85 6.81 2o7uG1 PHE 186 H 0.32 0.42 -0.24 -0.55 8.34 8.29 2o7uG1 PHE 186 HA 0.11 0.17 0.64 -0.75 4.62 4.78 2o7uG1 PHE 186 HB2 0.08 0.01 0.13 -0.04 3.15 3.33 2o7uG1 PHE 186 HB3 0.09 0.25 0.10 -0.04 3.06 3.45 2o7uG1 PHE 186 HD2 0.08 0.07 -0.12 -0.04 7.28 7.26 2o7uG1 PHE 186 HE2 0.09 -0.01 -0.09 -0.04 7.38 7.32 2o7uG1 PHE 186 HZ 0.08 -0.04 -0.04 -0.04 7.32 7.28 2o7uG1 GLY 187 H -0.77 0.53 0.31 -0.55 8.43 7.95 2o7uG1 GLY 187 HA2 -0.59 -0.00 0.38 -0.51 4.01 3.29 2o7uG1 GLY 187 HA3 -0.26 0.06 0.42 -0.51 4.01 3.73 2o7uG1 TYR 188 H -0.06 0.13 0.17 -0.55 8.29 7.98 2o7uG1 TYR 188 HA 0.04 0.11 0.43 -0.75 4.56 4.38 2o7uG1 TYR 188 HB2 -0.01 0.00 0.16 -0.04 3.06 3.18 2o7uG1 TYR 188 HB3 -0.01 0.03 0.04 -0.04 2.98 2.99 2o7uG1 TYR 188 HD2 0.01 0.02 0.13 -0.04 7.15 7.27 2o7uG1 TYR 188 HE2 -0.02 0.02 0.02 -0.04 6.85 6.83 2o7uG1 SER 189 H 0.17 0.08 -0.02 -0.55 8.46 8.15 2o7uG1 SER 189 HA 0.16 0.11 0.29 -0.75 4.49 4.29 2o7uG1 SER 189 HB2 0.10 0.11 0.04 -0.04 3.95 4.15 2o7uG1 SER 189 HB3 0.11 -0.12 0.07 -0.04 3.93 3.95 2o7uG1 GLY 190 H 0.14 0.07 -0.51 -0.55 8.43 7.58 2o7uG1 GLY 190 HA2 0.23 0.23 0.48 -0.51 4.01 4.44 2o7uG1 GLY 190 HA3 0.21 0.23 -0.20 -0.51 4.01 3.74 2o7uG1 ALA 191 H 0.12 0.45 -0.40 -0.55 8.40 8.02 2o7uG1 ALA 191 HA 0.05 0.11 0.24 -0.75 4.34 3.99 2o7uG1 ALA 191 HB3 0.09 0.01 -0.25 -0.04 1.41 1.22 2o7uG1 PHE 192 H 0.23 0.34 -0.47 -0.55 8.34 7.88 2o7uG1 PHE 192 HA -0.03 0.02 0.35 -0.75 4.62 4.21 2o7uG1 PHE 192 HB2 -0.01 -0.08 -0.04 -0.04 3.15 2.98 2o7uG1 PHE 192 HB3 0.01 0.14 0.05 -0.04 3.06 3.21 2o7uG1 PHE 192 HD2 -0.08 0.01 -0.10 -0.04 7.28 7.08 2o7uG1 PHE 192 HE2 -0.38 0.07 -0.09 -0.04 7.38 6.94 2o7uG1 PHE 192 HZ -0.80 0.05 -0.08 -0.04 7.32 6.44 2o7uG1 LYS 193 H 0.15 0.50 -0.17 -0.55 8.42 8.34 2o7uG1 LYS 193 HA -0.11 -0.02 0.40 -0.75 4.32 3.83 2o7uG1 LYS 193 HB2 0.18 0.08 0.20 -0.04 1.87 2.28 2o7uG1 LYS 193 HB3 0.33 0.14 0.14 -0.04 1.79 2.36 2o7uG1 LYS 193 HG2 0.26 -0.02 -0.05 -0.04 1.46 1.61 2o7uG1 LYS 193 HG3 0.09 -0.05 0.08 -0.04 1.46 1.54 2o7uG1 LYS 193 HD2 0.12 -0.03 0.03 -0.04 1.69 1.77 2o7uG1 LYS 193 HD3 0.14 0.08 0.04 -0.04 1.68 1.90 2o7uG1 LYS 193 HE2 0.08 -0.01 0.01 -0.04 2.99 3.03 2o7uG1 LYS 193 HE3 0.06 -0.03 0.01 -0.04 2.99 3.00 2o7uG1 CYS 194 H -0.16 0.55 -0.28 -0.55 8.50 8.06 2o7uG1 CYS 194 HA -1.09 -0.00 0.38 -0.75 4.58 3.12 2o7uG1 CYS 194 HB2 -0.84 0.01 0.08 -0.04 2.97 2.18 2o7uG1 CYS 194 HB3 -0.28 0.26 0.11 -0.04 2.97 3.02 2o7uG1 LEU 195 H -0.24 0.33 -0.33 -0.55 8.37 7.58 2o7uG1 LEU 195 HA -0.14 0.18 0.53 -0.75 4.35 4.18 2o7uG1 LEU 195 HB2 -0.10 -0.07 -0.20 -0.04 1.64 1.23 2o7uG1 LEU 195 HB3 -0.24 0.06 0.08 -0.04 1.64 1.51 2o7uG1 LEU 195 HG 0.05 0.03 -0.40 -0.04 1.64 1.28 2o7uG1 LEU 195 HD13 0.00 -0.01 -0.27 -0.04 0.93 0.62 2o7uG1 LEU 195 HD23 0.14 -0.04 -0.27 -0.04 0.89 0.68 2o7uG1 LYS 196 H -0.49 0.65 0.06 -0.55 8.42 8.09 2o7uG1 LYS 196 HA -0.04 0.01 0.34 -0.75 4.32 3.87 2o7uG1 LYS 196 HB2 -0.73 -0.04 0.06 -0.04 1.87 1.12 2o7uG1 LYS 196 HB3 -0.27 0.01 0.17 -0.04 1.79 1.66 2o7uG1 LYS 196 HG2 -0.01 0.04 -0.24 -0.04 1.46 1.21 2o7uG1 LYS 196 HG3 0.06 -0.03 0.01 -0.04 1.46 1.45 2o7uG1 LYS 196 HD2 0.05 0.00 -0.01 -0.04 1.69 1.69 2o7uG1 LYS 196 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 2o7uG1 LYS 196 HE2 0.08 -0.02 -0.01 -0.04 2.99 3.00 2o7uG1 LYS 196 HE3 0.07 -0.02 0.01 -0.04 2.99 3.00 2o7uG1 ASP 197 H -0.10 0.71 -0.10 -0.55 8.40 8.36 2o7uG1 ASP 197 HA -0.00 0.00 0.33 -0.75 4.63 4.21 2o7uG1 ASP 197 HB2 0.02 0.06 0.05 -0.04 2.71 2.79 2o7uG1 ASP 197 HB3 0.07 -0.04 0.07 -0.04 2.70 2.75 2o7uG1 GLY 198 H -0.08 0.45 -0.72 -0.55 8.43 7.54 2o7uG1 GLY 198 HA2 -0.05 0.12 0.28 -0.51 4.01 3.86 2o7uG1 GLY 198 HA3 -0.03 0.02 0.56 -0.51 4.01 4.06 2o7uG1 ALA 199 H -0.08 0.15 -0.16 -0.55 8.40 7.75 2o7uG1 ALA 199 HA -0.01 0.05 0.51 -0.75 4.34 4.13 2o7uG1 ALA 199 HB3 -0.09 -0.01 0.07 -0.04 1.41 1.34 2o7uG1 GLY 200 H -0.13 0.44 0.01 -0.55 8.43 8.21 2o7uG1 GLY 200 HA2 -0.06 0.16 0.77 -0.51 4.01 4.38 2o7uG1 GLY 200 HA3 -0.11 -0.07 0.01 -0.51 4.01 3.33 2o7uG1 ASP 201 H -0.06 0.60 0.31 -0.55 8.40 8.70 2o7uG1 ASP 201 HA 0.04 0.16 0.64 -0.75 4.63 4.72 2o7uG1 ASP 201 HB2 -0.13 0.01 0.10 -0.04 2.71 2.64 2o7uG1 ASP 201 HB3 0.12 -0.01 0.11 -0.04 2.70 2.88 2o7uG1 VAL 202 H -0.09 0.25 0.09 -0.55 8.24 7.93 2o7uG1 VAL 202 HA -0.04 0.36 0.89 -0.75 4.13 4.59 2o7uG1 VAL 202 HB 0.14 0.07 -0.26 -0.04 2.12 2.02 2o7uG1 VAL 202 HG13 -0.19 -0.02 -0.12 -0.04 0.97 0.60 2o7uG1 VAL 202 HG23 -0.45 0.01 -0.21 -0.04 0.95 0.24 2o7uG1 ALA 203 H -0.17 0.58 0.27 -0.55 8.40 8.53 2o7uG1 ALA 203 HA -0.20 0.28 1.05 -0.75 4.34 4.72 2o7uG1 ALA 203 HB3 0.02 -0.02 -0.11 -0.04 1.41 1.26 2o7uG1 PHE 204 H -0.02 0.63 0.29 -0.55 8.34 8.68 2o7uG1 PHE 204 HA 0.08 0.22 1.02 -0.75 4.62 5.18 2o7uG1 PHE 204 HB2 -0.00 -0.05 0.36 -0.04 3.15 3.42 2o7uG1 PHE 204 HB3 0.09 0.24 0.17 -0.04 3.06 3.52 2o7uG1 PHE 204 HD2 -0.28 0.05 -0.04 -0.04 7.28 6.97 2o7uG1 PHE 204 HE2 -0.11 0.00 -0.11 -0.04 7.38 7.12 2o7uG1 PHE 204 HZ 0.25 0.06 -0.13 -0.04 7.32 7.46 2o7uG1 VAL 205 H 0.20 0.55 0.29 -0.55 8.24 8.73 2o7uG1 VAL 205 HA 0.36 0.00 0.76 -0.75 4.13 4.50 2o7uG1 VAL 205 HB 0.24 -0.28 0.20 -0.04 2.12 2.24 2o7uG1 VAL 205 HG13 0.22 0.01 -0.28 -0.04 0.97 0.88 2o7uG1 VAL 205 HG23 0.10 0.08 -0.13 -0.04 0.95 0.97 2o7uG1 GLU 206 H 0.17 0.03 0.19 -0.55 8.60 8.45 2o7uG1 GLU 206 HA 0.17 0.29 0.74 -0.75 4.29 4.74 2o7uG1 GLU 206 HB2 -0.65 0.01 0.14 -0.04 2.09 1.55 2o7uG1 GLU 206 HB3 -0.75 -0.04 0.18 -0.04 1.99 1.34 2o7uG1 GLU 206 HG2 -0.13 -0.46 0.04 -0.04 2.34 1.74 2o7uG1 GLU 206 HG3 -0.22 0.06 0.14 -0.04 2.34 2.29 2o7uG1 HIS 207 H 0.15 0.26 0.32 -0.55 8.41 8.59 2o7uG1 HIS 207 HA -0.07 0.17 0.47 -0.75 4.63 4.45 2o7uG1 HIS 207 HB2 -0.89 0.09 0.08 -0.04 3.26 2.51 2o7uG1 HIS 207 HB3 -0.13 0.09 0.14 -0.04 3.20 3.26 2o7uG1 HIS 207 HD2 -0.25 -0.35 0.20 -0.04 6.97 6.53 2o7uG1 HIS 207 HE1 0.03 0.10 0.02 -0.04 7.75 7.84 2o7uG1 SER 208 H -0.04 -0.02 -0.17 -0.55 8.46 7.68 2o7uG1 SER 208 HA -0.16 0.23 0.56 -0.75 4.49 4.37 2o7uG1 SER 208 HB2 -0.25 0.07 0.03 -0.04 3.95 3.76 2o7uG1 SER 208 HB3 -0.51 0.10 0.06 -0.04 3.93 3.54 2o7uG1 THR 209 H -0.16 0.22 -0.44 -0.55 8.28 7.35 2o7uG1 THR 209 HA -0.19 -0.02 0.17 -0.75 4.39 3.60 2o7uG1 THR 209 HB -0.12 0.18 0.05 -0.04 4.32 4.39 2o7uG1 THR 209 HG23 -0.05 0.02 -0.25 -0.04 1.22 0.90 2o7uG1 ILE 210 H -0.29 0.20 -0.24 -0.55 8.25 7.37 2o7uG1 ILE 210 HA -1.15 0.09 0.29 -0.75 4.18 2.65 2o7uG1 ILE 210 HB -0.50 0.00 0.02 -0.04 1.89 1.36 2o7uG1 ILE 210 HG12 -0.59 0.02 -0.19 -0.04 1.49 0.70 2o7uG1 ILE 210 HG13 -0.87 0.01 -0.03 -0.04 1.21 0.28 2o7uG1 ILE 210 HG23 -0.63 0.03 -0.07 -0.04 0.93 0.22 2o7uG1 ILE 210 HD13 -0.39 0.01 -0.04 -0.04 0.88 0.42 2o7uG1 PHE 211 H -0.11 0.12 -0.36 -0.55 8.34 7.44 2o7uG1 PHE 211 HA -0.16 0.15 0.30 -0.75 4.62 4.15 2o7uG1 PHE 211 HB2 -0.20 0.07 0.08 -0.04 3.15 3.06 2o7uG1 PHE 211 HB3 -0.13 0.01 0.02 -0.04 3.06 2.92 2o7uG1 PHE 211 HD2 -0.16 0.01 0.06 -0.04 7.28 7.15 2o7uG1 PHE 211 HE2 -0.03 0.06 -0.01 -0.04 7.38 7.36 2o7uG1 PHE 211 HZ 0.07 -0.07 -0.10 -0.04 7.32 7.17 2o7uG1 GLU 212 H -0.12 0.35 -0.34 -0.55 8.60 7.95 2o7uG1 GLU 212 HA -0.06 0.10 0.52 -0.75 4.29 4.10 2o7uG1 GLU 212 HB2 -0.12 0.10 0.07 -0.04 2.09 2.10 2o7uG1 GLU 212 HB3 -0.07 -0.08 0.01 -0.04 1.99 1.81 2o7uG1 GLU 212 HG2 -0.11 0.10 -0.10 -0.04 2.34 2.19 2o7uG1 GLU 212 HG3 -0.13 -0.22 -0.10 -0.04 2.34 1.85 2o7uG1 ASN 213 H -0.23 0.40 -0.33 -0.55 8.53 7.82 2o7uG1 ASN 213 HA -0.03 0.14 0.68 -0.75 4.76 4.79 2o7uG1 ASN 213 HB2 -0.44 0.09 0.03 -0.04 2.88 2.52 2o7uG1 ASN 213 HB3 0.11 -0.00 0.13 -0.04 2.79 2.98 2o7uG1 ASN 213 HD21 -0.01 -0.24 -0.08 -0.04 7.03 6.65 2o7uG1 ASN 213 HD22 -0.21 0.53 -0.00 -0.04 7.74 8.01 2o7uG1 LEU 214 H -0.10 0.24 -0.44 -0.55 8.37 7.53 2o7uG1 LEU 214 HA -0.01 0.03 0.71 -0.75 4.35 4.34 2o7uG1 LEU 214 HB2 -0.23 0.08 -0.33 -0.04 1.64 1.11 2o7uG1 LEU 214 HB3 -0.17 -0.04 -0.01 -0.04 1.64 1.38 2o7uG1 LEU 214 HG -0.03 -0.00 -0.20 -0.04 1.64 1.36 2o7uG1 LEU 214 HD13 0.04 -0.03 -0.05 -0.04 0.93 0.86 2o7uG1 LEU 214 HD23 0.20 0.06 -0.03 -0.04 0.89 1.07 2o7uG1 ALA 215 H -0.01 0.16 0.05 -0.55 8.40 8.06 2o7uG1 ALA 215 HA -0.00 0.15 0.32 -0.75 4.34 4.05 2o7uG1 ALA 215 HB3 0.00 0.01 0.08 -0.04 1.41 1.45 2o7uG1 ASN 216 H 0.00 0.07 -0.22 -0.55 8.53 7.84 2o7uG1 ASN 216 HA 0.01 0.20 0.69 -0.75 4.76 4.91 2o7uG1 ASN 216 HB2 0.02 0.03 0.13 -0.04 2.88 3.02 2o7uG1 ASN 216 HB3 0.02 -0.18 0.04 -0.04 2.79 2.63 2o7uG1 ASN 216 HD21 0.01 0.07 -0.00 -0.04 7.03 7.07 2o7uG1 ASN 216 HD22 0.01 -0.05 0.02 -0.04 7.74 7.68 2o7uG1 LYS 217 H 0.02 0.27 0.20 -0.55 8.42 8.35 2o7uG1 LYS 217 HA -0.00 0.10 0.37 -0.75 4.32 4.04 2o7uG1 LYS 217 HB2 0.04 0.07 0.14 -0.04 1.87 2.08 2o7uG1 LYS 217 HB3 0.02 -0.01 0.08 -0.04 1.79 1.84 2o7uG1 LYS 217 HG2 0.02 -0.00 -0.08 -0.04 1.46 1.36 2o7uG1 LYS 217 HG3 0.03 -0.00 0.05 -0.04 1.46 1.50 2o7uG1 LYS 217 HD2 0.04 0.02 0.01 -0.04 1.69 1.72 2o7uG1 LYS 217 HD3 0.02 0.01 -0.01 -0.04 1.68 1.65 2o7uG1 LYS 217 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 2o7uG1 LYS 217 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2o7uG1 ALA 218 H 0.02 0.01 -0.48 -0.55 8.40 7.40 2o7uG1 ALA 218 HA 0.02 0.11 0.40 -0.75 4.34 4.12 2o7uG1 ALA 218 HB3 0.02 0.01 0.05 -0.04 1.41 1.44 2o7uG1 ASP 219 H 0.04 0.11 -0.04 -0.55 8.40 7.96 2o7uG1 ASP 219 HA 0.07 0.11 0.42 -0.75 4.63 4.48 2o7uG1 ASP 219 HB2 0.08 0.03 0.00 -0.04 2.71 2.78 2o7uG1 ASP 219 HB3 0.13 0.06 0.11 -0.04 2.70 2.96 2o7uG1 ARG 220 H 0.03 0.17 -0.79 -0.55 8.46 7.33 2o7uG1 ARG 220 HA 0.11 0.12 0.63 -0.75 4.34 4.44 2o7uG1 ARG 220 HB2 -0.04 -0.03 0.06 -0.04 1.90 1.85 2o7uG1 ARG 220 HB3 -0.09 -0.07 -0.04 -0.04 1.80 1.56 2o7uG1 ARG 220 HG2 -0.26 -0.04 -0.07 -0.04 1.67 1.26 2o7uG1 ARG 220 HG3 -0.15 0.07 -0.21 -0.04 1.67 1.34 2o7uG1 ARG 220 HD2 -0.37 -0.07 -0.11 -0.04 3.22 2.63 2o7uG1 ARG 220 HD3 -0.79 -0.09 -0.21 -0.04 3.22 2.10 2o7uG1 ASP 221 H 0.04 0.50 -0.03 -0.55 8.40 8.37 2o7uG1 ASP 221 HA 0.03 0.03 0.65 -0.75 4.63 4.58 2o7uG1 ASP 221 HB2 0.02 0.14 0.15 -0.04 2.71 2.98 2o7uG1 ASP 221 HB3 0.01 -0.05 0.17 -0.04 2.70 2.80 2o7uG1 GLN 222 H 0.12 0.12 -0.89 -0.55 8.47 7.28 2o7uG1 GLN 222 HA -0.07 0.09 0.53 -0.75 4.36 4.15 2o7uG1 GLN 222 HB2 -0.08 0.23 0.06 -0.04 2.15 2.32 2o7uG1 GLN 222 HB3 -0.26 -0.03 0.12 -0.04 2.02 1.80 2o7uG1 GLN 222 HG2 0.03 -0.02 0.02 -0.04 2.40 2.39 2o7uG1 GLN 222 HG3 -0.02 -0.03 0.04 -0.04 2.39 2.33 2o7uG1 GLN 222 HE21 -0.01 -0.03 -0.11 -0.04 6.97 6.78 2o7uG1 GLN 222 HE22 0.01 0.14 -0.10 -0.04 7.69 7.69 2o7uG1 TYR 223 H 0.22 0.36 -0.20 -0.55 8.29 8.12 2o7uG1 TYR 223 HA -0.01 0.16 1.09 -0.75 4.56 5.05 2o7uG1 TYR 223 HB2 0.01 -0.06 0.05 -0.04 3.06 3.01 2o7uG1 TYR 223 HB3 0.03 0.07 0.09 -0.04 2.98 3.13 2o7uG1 TYR 223 HD2 0.04 -0.02 -0.10 -0.04 7.15 7.03 2o7uG1 TYR 223 HE2 -0.07 0.06 -0.09 -0.04 6.85 6.72 2o7uG1 GLU 224 H 0.08 0.74 0.27 -0.55 8.60 9.14 2o7uG1 GLU 224 HA 0.05 0.01 0.59 -0.75 4.29 4.19 2o7uG1 GLU 224 HB2 -0.00 0.06 -0.01 -0.04 2.09 2.09 2o7uG1 GLU 224 HB3 0.01 0.01 -0.11 -0.04 1.99 1.85 2o7uG1 GLU 224 HG2 -0.03 -0.02 -0.35 -0.04 2.34 1.90 2o7uG1 GLU 224 HG3 -0.06 0.05 -0.27 -0.04 2.34 2.02 2o7uG1 LEU 225 H 0.03 0.74 0.26 -0.55 8.37 8.86 2o7uG1 LEU 225 HA 0.05 0.24 1.08 -0.75 4.35 4.97 2o7uG1 LEU 225 HB2 0.07 -0.01 -0.06 -0.04 1.64 1.61 2o7uG1 LEU 225 HB3 0.10 -0.01 0.04 -0.04 1.64 1.72 2o7uG1 LEU 225 HG 0.08 -0.12 -0.27 -0.04 1.64 1.29 2o7uG1 LEU 225 HD13 0.16 0.07 -0.15 -0.04 0.93 0.97 2o7uG1 LEU 225 HD23 0.10 -0.01 -0.10 -0.04 0.89 0.84 2o7uG1 LEU 226 H 0.05 0.71 0.31 -0.55 8.37 8.89 2o7uG1 LEU 226 HA 0.01 0.11 0.77 -0.75 4.35 4.49 2o7uG1 LEU 226 HB2 0.08 0.05 0.13 -0.04 1.64 1.86 2o7uG1 LEU 226 HB3 0.10 -0.03 -0.06 -0.04 1.64 1.61 2o7uG1 LEU 226 HG 0.07 -0.14 -0.13 -0.04 1.64 1.40 2o7uG1 LEU 226 HD13 -0.14 0.05 -0.21 -0.04 0.93 0.59 2o7uG1 LEU 226 HD23 0.23 0.01 -0.26 -0.04 0.89 0.84 2o7uG1 CYS 227 H 0.02 0.73 0.37 -0.55 8.50 9.08 2o7uG1 CYS 227 HA 0.03 0.16 0.77 -0.75 4.58 4.79 2o7uG1 CYS 227 HB2 0.01 -0.05 -0.00 -0.04 2.97 2.88 2o7uG1 CYS 227 HB3 0.00 -0.07 0.05 -0.04 2.97 2.91 2o7uG1 LEU 228 H -0.00 0.21 0.09 -0.55 8.37 8.13 2o7uG1 LEU 228 HA 0.03 0.09 0.35 -0.75 4.35 4.07 2o7uG1 LEU 228 HB2 -0.04 -0.01 0.14 -0.04 1.64 1.68 2o7uG1 LEU 228 HB3 -0.02 0.02 -0.03 -0.04 1.64 1.57 2o7uG1 LEU 228 HG -0.00 0.01 0.06 -0.04 1.64 1.67 2o7uG1 LEU 228 HD13 -0.06 0.04 0.09 -0.04 0.93 0.96 2o7uG1 LEU 228 HD23 0.01 0.00 0.08 -0.04 0.89 0.94 2o7uG1 ASP 229 H 0.00 0.04 -0.40 -0.55 8.40 7.49 2o7uG1 ASP 229 HA 0.01 0.22 0.68 -0.75 4.63 4.79 2o7uG1 ASP 229 HB2 -0.00 0.04 0.15 -0.04 2.71 2.86 2o7uG1 ASP 229 HB3 -0.01 0.02 0.01 -0.04 2.70 2.68 2o7uG1 ASN 230 H 0.03 0.33 -0.43 -0.55 8.53 7.91 2o7uG1 ASN 230 HA 0.04 -0.10 0.35 -0.75 4.76 4.28 2o7uG1 ASN 230 HB2 0.02 0.16 -0.15 -0.04 2.88 2.87 2o7uG1 ASN 230 HB3 0.03 -0.02 0.18 -0.04 2.79 2.94 2o7uG1 ASN 230 HD21 0.03 0.04 -0.02 -0.04 7.03 7.04 2o7uG1 ASN 230 HD22 0.02 0.04 -0.07 -0.04 7.74 7.69 2o7uG1 THR 231 H 0.01 -0.01 -0.33 -0.55 8.28 7.40 2o7uG1 THR 231 HA -0.00 0.22 0.77 -0.75 4.39 4.62 2o7uG1 THR 231 HB -0.01 0.05 0.12 -0.04 4.32 4.44 2o7uG1 THR 231 HG23 -0.00 0.06 -0.08 -0.04 1.22 1.16 2o7uG1 ARG 232 H -0.02 0.21 0.17 -0.55 8.46 8.27 2o7uG1 ARG 232 HA -0.01 0.27 1.00 -0.75 4.34 4.85 2o7uG1 ARG 232 HB2 -0.04 -0.04 0.05 -0.04 1.90 1.83 2o7uG1 ARG 232 HB3 -0.04 0.01 -0.02 -0.04 1.80 1.71 2o7uG1 ARG 232 HG2 -0.08 0.04 -0.11 -0.04 1.67 1.48 2o7uG1 ARG 232 HG3 -0.06 -0.05 -0.23 -0.04 1.67 1.29 2o7uG1 ARG 232 HD2 -0.11 -0.02 -0.08 -0.04 3.22 2.96 2o7uG1 ARG 232 HD3 -0.11 -0.08 -0.12 -0.04 3.22 2.86 2o7uG1 LYS 233 H 0.01 0.53 0.26 -0.55 8.42 8.66 2o7uG1 LYS 233 HA -0.00 0.17 0.73 -0.75 4.32 4.47 2o7uG1 LYS 233 HB2 0.02 -0.01 -0.08 -0.04 1.87 1.75 2o7uG1 LYS 233 HB3 0.01 0.03 0.01 -0.04 1.79 1.79 2o7uG1 LYS 233 HG2 -0.00 -0.00 0.09 -0.04 1.46 1.50 2o7uG1 LYS 233 HG3 -0.00 0.02 -0.36 -0.04 1.46 1.07 2o7uG1 LYS 233 HD2 -0.00 0.06 -0.13 -0.04 1.69 1.58 2o7uG1 LYS 233 HD3 -0.01 -0.04 -0.05 -0.04 1.68 1.54 2o7uG1 LYS 233 HE2 -0.01 0.00 0.00 -0.04 2.99 2.94 2o7uG1 LYS 233 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2o7uG1 PRO 234 HA 0.02 0.19 0.55 -0.51 4.44 4.69 2o7uG1 PRO 234 HB2 0.02 -0.11 0.03 -0.04 2.28 2.17 2o7uG1 PRO 234 HB3 0.02 0.08 0.13 -0.04 2.02 2.21 2o7uG1 PRO 234 HG2 0.00 0.05 0.09 -0.04 2.03 2.13 2o7uG1 PRO 234 HG3 0.00 0.11 0.10 -0.04 2.03 2.21 2o7uG1 PRO 234 HD2 0.00 0.10 0.21 -0.04 3.68 3.94 2o7uG1 PRO 234 HD3 -0.00 0.20 0.20 -0.04 3.65 4.01 2o7uG1 VAL 235 H 0.03 0.33 0.19 -0.55 8.24 8.24 2o7uG1 VAL 235 HA 0.09 0.12 0.14 -0.75 4.13 3.74 2o7uG1 VAL 235 HB -0.07 -0.04 0.04 -0.04 2.12 2.01 2o7uG1 VAL 235 HG13 0.02 0.06 -0.19 -0.04 0.97 0.82 2o7uG1 VAL 235 HG23 -0.17 0.02 -0.05 -0.04 0.95 0.71 2o7uG1 ASP 236 H 0.10 0.09 -0.27 -0.55 8.40 7.78 2o7uG1 ASP 236 HA 0.48 0.20 0.83 -0.75 4.63 5.38 2o7uG1 ASP 236 HB2 0.12 0.01 0.13 -0.04 2.71 2.93 2o7uG1 ASP 236 HB3 0.43 0.03 0.04 -0.04 2.70 3.16 2o7uG1 GLU 237 H 0.04 0.44 -0.40 -0.55 8.60 8.13 2o7uG1 GLU 237 HA -0.20 0.14 0.78 -0.75 4.29 4.25 2o7uG1 GLU 237 HB2 -0.01 0.16 0.03 -0.04 2.09 2.23 2o7uG1 GLU 237 HB3 -0.05 -0.04 0.13 -0.04 1.99 1.99 2o7uG1 GLU 237 HG2 -0.06 0.01 -0.02 -0.04 2.34 2.23 2o7uG1 GLU 237 HG3 -0.03 -0.07 -0.18 -0.04 2.34 2.02 2o7uG1 TYR 238 H -0.24 0.24 -0.54 -0.55 8.29 7.21 2o7uG1 TYR 238 HA 0.05 0.24 0.23 -0.75 4.56 4.33 2o7uG1 TYR 238 HB2 0.06 -0.07 -0.05 -0.04 3.06 2.95 2o7uG1 TYR 238 HB3 0.11 0.13 0.05 -0.04 2.98 3.24 2o7uG1 TYR 238 HD2 -0.11 0.18 -0.11 -0.04 7.15 7.07 2o7uG1 TYR 238 HE2 0.00 0.01 -0.01 -0.04 6.85 6.81 2o7uG1 LYS 239 H -0.60 0.12 -0.43 -0.55 8.42 6.96 2o7uG1 LYS 239 HA -0.44 0.05 0.29 -0.75 4.32 3.46 2o7uG1 LYS 239 HB2 -0.30 0.01 0.00 -0.04 1.87 1.54 2o7uG1 LYS 239 HB3 -0.14 0.05 -0.06 -0.04 1.79 1.60 2o7uG1 LYS 239 HG2 -0.23 0.01 -0.02 -0.04 1.46 1.17 2o7uG1 LYS 239 HG3 -0.38 -0.07 -0.06 -0.04 1.46 0.91 2o7uG1 LYS 239 HD2 -0.21 0.04 -0.01 -0.04 1.69 1.46 2o7uG1 LYS 239 HD3 -0.03 0.02 -0.03 -0.04 1.68 1.60 2o7uG1 LYS 239 HE2 0.27 -0.03 -0.04 -0.04 2.99 3.15 2o7uG1 LYS 239 HE3 0.16 -0.01 -0.02 -0.04 2.99 3.08 2o7uG1 ASP 240 H -0.08 0.28 -0.36 -0.55 8.40 7.68 2o7uG1 ASP 240 HA 0.01 0.18 0.82 -0.75 4.63 4.89 2o7uG1 ASP 240 HB2 -0.03 0.06 0.06 -0.04 2.71 2.76 2o7uG1 ASP 240 HB3 -0.02 -0.00 0.16 -0.04 2.70 2.79 2o7uG1 CYS 241 H 0.13 0.40 -0.71 -0.55 8.50 7.77 2o7uG1 CYS 241 HA -0.01 -0.03 0.51 -0.75 4.58 4.30 2o7uG1 CYS 241 HB2 0.02 0.13 -0.39 -0.04 2.97 2.69 2o7uG1 CYS 241 HB3 0.06 0.02 -0.12 -0.04 2.97 2.89 2o7uG1 HIS 242 H -0.24 0.19 0.09 -0.55 8.41 7.91 2o7uG1 HIS 242 HA 0.11 0.16 0.76 -0.75 4.63 4.90 2o7uG1 HIS 242 HB2 0.18 -0.05 0.07 -0.04 3.26 3.42 2o7uG1 HIS 242 HB3 0.12 0.10 -0.11 -0.04 3.20 3.27 2o7uG1 HIS 242 HD2 0.18 -0.16 -0.38 -0.04 6.97 6.56 2o7uG1 HIS 242 HE1 0.05 0.16 0.02 -0.04 7.75 7.93 2o7uG1 LEU 243 H 0.22 0.84 0.40 -0.55 8.37 9.28 2o7uG1 LEU 243 HA 0.04 0.12 0.63 -0.75 4.35 4.39 2o7uG1 LEU 243 HB2 0.14 0.06 0.03 -0.04 1.64 1.83 2o7uG1 LEU 243 HB3 0.08 -0.01 -0.10 -0.04 1.64 1.57 2o7uG1 LEU 243 HG 0.10 0.04 -0.07 -0.04 1.64 1.67 2o7uG1 LEU 243 HD13 0.16 -0.04 -0.15 -0.04 0.93 0.86 2o7uG1 LEU 243 HD23 0.18 0.01 -0.17 -0.04 0.89 0.87 2o7uG1 ALA 244 H 0.25 0.18 0.21 -0.55 8.40 8.50 2o7uG1 ALA 244 HA 0.16 0.11 0.33 -0.75 4.34 4.18 2o7uG1 ALA 244 HB3 0.02 0.07 -0.04 -0.04 1.41 1.43 2o7uG1 GLN 245 H 0.01 0.22 0.15 -0.55 8.47 8.30 2o7uG1 GLN 245 HA -0.29 0.22 1.02 -0.75 4.36 4.56 2o7uG1 GLN 245 HB2 -0.18 -0.01 0.13 -0.04 2.15 2.05 2o7uG1 GLN 245 HB3 -0.35 0.04 -0.03 -0.04 2.02 1.63 2o7uG1 GLN 245 HG2 -0.51 0.01 -0.04 -0.04 2.40 1.82 2o7uG1 GLN 245 HG3 0.02 -0.03 -0.03 -0.04 2.39 2.31 2o7uG1 GLN 245 HE21 -0.15 0.02 -0.03 -0.04 6.97 6.76 2o7uG1 GLN 245 HE22 0.08 0.01 -0.04 -0.04 7.69 7.70 2o7uG1 VAL 246 H -0.47 0.48 0.29 -0.55 8.24 7.99 2o7uG1 VAL 246 HA -0.51 0.30 0.96 -0.75 4.13 4.12 2o7uG1 VAL 246 HB -0.52 0.02 0.09 -0.04 2.12 1.66 2o7uG1 VAL 246 HG13 -0.30 -0.00 -0.31 -0.04 0.97 0.31 2o7uG1 VAL 246 HG23 -0.97 -0.04 -0.10 -0.04 0.95 -0.19 2o7uG1 PRO 247 HA -0.02 0.23 0.70 -0.51 4.44 4.84 2o7uG1 PRO 247 HB2 0.01 -0.08 0.04 -0.04 2.28 2.21 2o7uG1 PRO 247 HB3 -0.24 0.18 0.16 -0.04 2.02 2.08 2o7uG1 PRO 247 HG2 -0.10 0.03 0.18 -0.04 2.03 2.11 2o7uG1 PRO 247 HG3 -0.19 0.15 0.15 -0.04 2.03 2.10 2o7uG1 PRO 247 HD2 -0.57 -0.07 0.24 -0.04 3.68 3.24 2o7uG1 PRO 247 HD3 -0.59 0.21 0.28 -0.04 3.65 3.51 2o7uG1 SER 248 H 0.24 0.51 0.19 -0.55 8.46 8.85 2o7uG1 SER 248 HA 0.74 -0.12 0.27 -0.75 4.49 4.63 2o7uG1 SER 248 HB2 0.41 0.04 0.00 -0.04 3.95 4.37 2o7uG1 SER 248 HB3 0.65 -0.11 -0.16 -0.04 3.93 4.27 2o7uG1 HIS 249 H 0.60 -0.02 0.14 -0.55 8.41 8.59 2o7uG1 HIS 249 HA 0.31 0.06 0.63 -0.75 4.63 4.87 2o7uG1 HIS 249 HB2 0.31 -0.06 0.06 -0.04 3.26 3.54 2o7uG1 HIS 249 HB3 0.27 0.10 -0.19 -0.04 3.20 3.34 2o7uG1 HIS 249 HD2 0.43 0.06 0.09 -0.04 6.97 7.51 2o7uG1 HIS 249 HE1 0.13 -0.01 0.01 -0.04 7.75 7.84 2o7uG1 THR 250 H 0.26 0.63 0.38 -0.55 8.28 9.00 2o7uG1 THR 250 HA 0.27 0.21 1.12 -0.75 4.39 5.24 2o7uG1 THR 250 HB 0.09 -0.07 -0.05 -0.04 4.32 4.25 2o7uG1 THR 250 HG23 -0.11 0.01 -0.12 -0.04 1.22 0.96 2o7uG1 VAL 251 H 0.20 0.90 0.44 -0.55 8.24 9.22 2o7uG1 VAL 251 HA 0.14 0.22 0.95 -0.75 4.13 4.68 2o7uG1 VAL 251 HB 0.14 -0.16 0.22 -0.04 2.12 2.27 2o7uG1 VAL 251 HG13 -0.05 0.03 -0.12 -0.04 0.97 0.79 2o7uG1 VAL 251 HG23 0.41 0.03 -0.03 -0.04 0.95 1.32 2o7uG1 VAL 252 H -0.03 0.53 0.42 -0.55 8.24 8.62 2o7uG1 VAL 252 HA -0.02 0.28 0.99 -0.75 4.13 4.63 2o7uG1 VAL 252 HB 0.00 0.06 -0.09 -0.04 2.12 2.05 2o7uG1 VAL 252 HG13 0.04 -0.01 -0.23 -0.04 0.97 0.73 2o7uG1 VAL 252 HG23 -0.01 0.02 -0.05 -0.04 0.95 0.86 2o7uG1 ALA 253 H -0.03 0.51 0.33 -0.55 8.40 8.67 2o7uG1 ALA 253 HA -0.07 0.26 0.76 -0.75 4.34 4.53 2o7uG1 ALA 253 HB3 -0.03 0.01 0.01 -0.04 1.41 1.35 2o7uG1 ARG 254 H -0.03 0.22 0.21 -0.55 8.46 8.31 2o7uG1 ARG 254 HA -0.01 0.20 0.68 -0.75 4.34 4.45 2o7uG1 ARG 254 HB2 -0.02 -0.02 0.12 -0.04 1.90 1.94 2o7uG1 ARG 254 HB3 -0.01 -0.09 -0.06 -0.04 1.80 1.60 2o7uG1 ARG 254 HG2 -0.01 0.00 0.15 -0.04 1.67 1.77 2o7uG1 ARG 254 HG3 -0.02 -0.00 -0.04 -0.04 1.67 1.56 2o7uG1 ARG 254 HD2 -0.01 0.07 0.09 -0.04 3.22 3.33 2o7uG1 ARG 254 HD3 -0.02 0.09 0.14 -0.04 3.22 3.38 2o7uG1 SER 255 H 0.01 0.45 0.30 -0.55 8.46 8.67 2o7uG1 SER 255 HA 0.01 0.04 0.65 -0.75 4.49 4.43 2o7uG1 SER 255 HB2 0.01 0.00 0.11 -0.04 3.95 4.04 2o7uG1 SER 255 HB3 0.02 -0.07 0.06 -0.04 3.93 3.89 2o7uG1 MET 256 H 0.00 0.19 0.00 -0.55 8.47 8.12 2o7uG1 MET 256 HA 0.00 0.06 0.70 -0.75 4.52 4.53 2o7uG1 MET 256 HB2 -0.00 0.08 0.18 -0.04 2.15 2.37 2o7uG1 MET 256 HB3 -0.00 0.03 0.02 -0.04 2.03 2.04 2o7uG1 MET 256 HG2 0.00 -0.01 -0.02 -0.04 2.63 2.57 2o7uG1 MET 256 HG3 0.00 -0.06 -0.02 -0.04 2.56 2.45 2o7uG1 MET 256 HE3 0.00 -0.01 0.00 -0.04 2.10 2.06 2o7uG1 GLY 257 H 0.00 0.14 0.17 -0.55 8.43 8.20 2o7uG1 GLY 257 HA2 0.01 -0.07 0.36 -0.51 4.01 3.80 2o7uG1 GLY 257 HA3 0.00 0.10 0.42 -0.51 4.01 4.02 2o7uG1 GLY 258 H 0.00 0.12 -0.25 -0.55 8.43 7.76 2o7uG1 GLY 258 HA2 -0.01 0.27 0.54 -0.51 4.01 4.30 2o7uG1 GLY 258 HA3 -0.01 0.11 0.27 -0.51 4.01 3.87 2o7uG1 LYS 259 H 0.01 0.03 -0.30 -0.55 8.42 7.61 2o7uG1 LYS 259 HA 0.03 -0.01 0.26 -0.75 4.32 3.85 2o7uG1 LYS 259 HB2 0.02 0.20 0.01 -0.04 1.87 2.06 2o7uG1 LYS 259 HB3 0.04 -0.11 0.11 -0.04 1.79 1.79 2o7uG1 LYS 259 HG2 0.02 0.03 -0.04 -0.04 1.46 1.42 2o7uG1 LYS 259 HG3 0.01 0.08 -0.24 -0.04 1.46 1.26 2o7uG1 LYS 259 HD2 0.00 0.03 -0.10 -0.04 1.69 1.58 2o7uG1 LYS 259 HD3 0.02 -0.07 -0.08 -0.04 1.68 1.51 2o7uG1 LYS 259 HE2 0.01 0.06 0.02 -0.04 2.99 3.04 2o7uG1 LYS 259 HE3 0.00 0.04 0.00 -0.04 2.99 3.00 2o7uG1 GLU 260 H 0.03 0.09 -0.08 -0.55 8.60 8.09 2o7uG1 GLU 260 HA 0.05 0.17 0.23 -0.75 4.29 3.98 2o7uG1 GLU 260 HB2 0.03 0.08 -0.02 -0.04 2.09 2.13 2o7uG1 GLU 260 HB3 0.02 0.12 0.02 -0.04 1.99 2.11 2o7uG1 GLU 260 HG2 0.03 -0.18 0.09 -0.04 2.34 2.24 2o7uG1 GLU 260 HG3 0.01 0.06 0.02 -0.04 2.34 2.39 2o7uG1 ASP 261 H 0.07 0.07 -0.15 -0.55 8.40 7.84 2o7uG1 ASP 261 HA 0.20 0.16 0.58 -0.75 4.63 4.81 2o7uG1 ASP 261 HB2 0.13 0.06 0.03 -0.04 2.71 2.88 2o7uG1 ASP 261 HB3 0.09 0.05 0.04 -0.04 2.70 2.84 2o7uG1 LEU 262 H 0.09 0.08 -0.36 -0.55 8.37 7.62 2o7uG1 LEU 262 HA 0.08 0.12 0.59 -0.75 4.35 4.39 2o7uG1 LEU 262 HB2 0.06 -0.12 0.06 -0.04 1.64 1.60 2o7uG1 LEU 262 HB3 0.06 0.11 -0.04 -0.04 1.64 1.73 2o7uG1 LEU 262 HG 0.05 -0.00 0.01 -0.04 1.64 1.66 2o7uG1 LEU 262 HD13 0.03 0.01 -0.04 -0.04 0.93 0.88 2o7uG1 LEU 262 HD23 0.04 0.02 -0.23 -0.04 0.89 0.68 2o7uG1 ILE 263 H 0.11 0.64 -0.03 -0.55 8.25 8.42 2o7uG1 ILE 263 HA 0.17 0.04 0.39 -0.75 4.18 4.03 2o7uG1 ILE 263 HB 0.14 0.12 0.05 -0.04 1.89 2.15 2o7uG1 ILE 263 HG12 0.09 -0.10 -0.06 -0.04 1.49 1.37 2o7uG1 ILE 263 HG13 0.07 0.09 0.05 -0.04 1.21 1.39 2o7uG1 ILE 263 HG23 0.22 -0.02 -0.19 -0.04 0.93 0.89 2o7uG1 ILE 263 HD13 -0.02 0.00 -0.12 -0.04 0.88 0.70 2o7uG1 TRP 264 H 0.31 0.34 -0.27 -0.55 7.97 7.80 2o7uG1 TRP 264 HA 0.06 0.01 0.36 -0.75 4.62 4.30 2o7uG1 TRP 264 HB2 0.05 0.07 0.07 -0.04 3.23 3.38 2o7uG1 TRP 264 HB3 0.05 0.03 0.11 -0.04 3.23 3.37 2o7uG1 TRP 264 HD1 0.05 0.04 -0.11 -0.04 7.22 7.15 2o7uG1 TRP 264 HE1 0.05 0.02 -0.06 -0.04 10.20 10.17 2o7uG1 TRP 264 HE3 0.08 0.01 -0.12 -0.04 7.59 7.51 2o7uG1 TRP 264 HZ2 0.08 0.04 -0.01 -0.04 7.44 7.50 2o7uG1 TRP 264 HZ3 0.23 -0.04 -0.58 -0.04 7.13 6.69 2o7uG1 TRP 264 HH2 0.15 0.18 -0.02 -0.04 7.19 7.47 2o7uG1 GLU 265 H 0.16 0.42 -0.28 -0.55 8.60 8.35 2o7uG1 GLU 265 HA -0.18 -0.00 0.44 -0.75 4.29 3.79 2o7uG1 GLU 265 HB2 0.06 0.10 0.25 -0.04 2.09 2.45 2o7uG1 GLU 265 HB3 0.01 0.01 0.01 -0.04 1.99 1.98 2o7uG1 GLU 265 HG2 0.06 -0.06 0.07 -0.04 2.34 2.37 2o7uG1 GLU 265 HG3 0.13 0.15 0.13 -0.04 2.34 2.71 2o7uG1 LEU 266 H 0.03 0.62 -0.19 -0.55 8.37 8.28 2o7uG1 LEU 266 HA 0.02 0.06 0.28 -0.75 4.35 3.95 2o7uG1 LEU 266 HB2 0.06 0.03 0.03 -0.04 1.64 1.73 2o7uG1 LEU 266 HB3 0.13 0.09 0.15 -0.04 1.64 1.97 2o7uG1 LEU 266 HG 0.16 -0.05 -0.43 -0.04 1.64 1.29 2o7uG1 LEU 266 HD13 -0.09 0.02 -0.22 -0.04 0.93 0.60 2o7uG1 LEU 266 HD23 0.20 -0.02 -0.08 -0.04 0.89 0.95 2o7uG1 LEU 267 H -0.01 0.64 -0.13 -0.55 8.37 8.32 2o7uG1 LEU 267 HA 0.05 0.00 0.27 -0.75 4.35 3.93 2o7uG1 LEU 267 HB2 -0.11 0.05 0.05 -0.04 1.64 1.58 2o7uG1 LEU 267 HB3 -0.47 -0.08 -0.09 -0.04 1.64 0.96 2o7uG1 LEU 267 HG 0.19 0.13 -0.00 -0.04 1.64 1.92 2o7uG1 LEU 267 HD13 0.07 -0.03 -0.15 -0.04 0.93 0.77 2o7uG1 LEU 267 HD23 -0.09 -0.02 -0.13 -0.04 0.89 0.61 2o7uG1 ASN 268 H -0.62 0.84 -0.08 -0.55 8.53 8.13 2o7uG1 ASN 268 HA -0.43 -0.04 0.42 -0.75 4.76 3.96 2o7uG1 ASN 268 HB2 -2.11 0.04 0.10 -0.04 2.88 0.87 2o7uG1 ASN 268 HB3 -0.64 0.06 0.11 -0.04 2.79 2.28 2o7uG1 ASN 268 HD21 0.03 -0.02 -0.03 -0.04 7.03 6.97 2o7uG1 ASN 268 HD22 -0.16 0.01 -0.03 -0.04 7.74 7.52 2o7uG1 GLN 269 H -0.17 0.61 -0.12 -0.55 8.47 8.24 2o7uG1 GLN 269 HA -0.07 -0.01 0.42 -0.75 4.36 3.95 2o7uG1 GLN 269 HB2 0.03 0.17 0.15 -0.04 2.15 2.46 2o7uG1 GLN 269 HB3 0.11 -0.02 0.00 -0.04 2.02 2.08 2o7uG1 GLN 269 HG2 -0.08 0.01 0.10 -0.04 2.40 2.40 2o7uG1 GLN 269 HG3 -0.00 -0.00 0.02 -0.04 2.39 2.37 2o7uG1 GLN 269 HE21 0.08 -0.02 0.03 -0.04 6.97 7.02 2o7uG1 GLN 269 HE22 0.08 0.06 0.02 -0.04 7.69 7.81 2o7uG1 ALA 270 H 0.08 0.60 -0.11 -0.55 8.40 8.43 2o7uG1 ALA 270 HA 0.30 0.01 0.37 -0.75 4.34 4.27 2o7uG1 ALA 270 HB3 0.28 0.03 0.02 -0.04 1.41 1.69 2o7uG1 GLN 271 H 0.03 0.70 -0.22 -0.55 8.47 8.43 2o7uG1 GLN 271 HA -0.04 -0.10 0.39 -0.75 4.36 3.85 2o7uG1 GLN 271 HB2 0.15 -0.08 0.08 -0.04 2.15 2.25 2o7uG1 GLN 271 HB3 -0.00 0.28 0.25 -0.04 2.02 2.50 2o7uG1 GLN 271 HG2 0.01 0.08 -0.17 -0.04 2.40 2.28 2o7uG1 GLN 271 HG3 -0.01 -0.09 0.08 -0.04 2.39 2.34 2o7uG1 GLN 271 HE21 0.23 0.09 0.07 -0.04 6.97 7.31 2o7uG1 GLN 271 HE22 -0.05 0.12 0.11 -0.04 7.69 7.83 2o7uG1 GLU 272 H -0.10 0.47 -0.18 -0.55 8.60 8.24 2o7uG1 GLU 272 HA -0.12 0.01 0.43 -0.75 4.29 3.85 2o7uG1 GLU 272 HB2 -0.42 0.10 0.13 -0.04 2.09 1.86 2o7uG1 GLU 272 HB3 -0.27 -0.06 0.05 -0.04 1.99 1.68 2o7uG1 GLU 272 HG2 -0.12 0.26 0.12 -0.04 2.34 2.56 2o7uG1 GLU 272 HG3 -0.15 -0.06 0.01 -0.04 2.34 2.09 2o7uG1 HIS 273 H -0.19 0.41 -0.09 -0.55 8.41 7.99 2o7uG1 HIS 273 HA -0.32 0.09 0.51 -0.75 4.63 4.16 2o7uG1 HIS 273 HB2 -0.68 0.03 0.10 -0.04 3.26 2.67 2o7uG1 HIS 273 HB3 -1.47 -0.05 -0.05 -0.04 3.20 1.59 2o7uG1 HIS 273 HD2 -0.11 0.05 -0.09 -0.04 6.97 6.77 2o7uG1 HIS 273 HE1 -0.08 -0.03 -0.00 -0.04 7.75 7.60 2o7uG1 PHE 274 H -0.05 0.78 0.07 -0.55 8.34 8.58 2o7uG1 PHE 274 HA -0.03 0.20 0.81 -0.75 4.62 4.85 2o7uG1 PHE 274 HB2 0.06 0.01 -0.03 -0.04 3.15 3.15 2o7uG1 PHE 274 HB3 -0.04 -0.08 -0.10 -0.04 3.06 2.80 2o7uG1 PHE 274 HD2 0.15 0.05 -0.08 -0.04 7.28 7.35 2o7uG1 PHE 274 HE2 0.07 -0.01 -0.19 -0.04 7.38 7.21 2o7uG1 PHE 274 HZ 0.06 0.10 -0.08 -0.04 7.32 7.36 2o7uG1 GLY 275 H -0.04 0.31 -0.25 -0.55 8.43 7.90 2o7uG1 GLY 275 HA2 -0.12 -0.08 0.40 -0.51 4.01 3.70 2o7uG1 GLY 275 HA3 0.02 0.24 0.44 -0.51 4.01 4.20 2o7uG1 LYS 276 H 0.07 0.20 0.12 -0.55 8.42 8.25 2o7uG1 LYS 276 HA 0.01 -0.03 0.44 -0.75 4.32 3.98 2o7uG1 LYS 276 HB2 -0.21 0.07 0.21 -0.04 1.87 1.90 2o7uG1 LYS 276 HB3 -0.04 0.00 0.14 -0.04 1.79 1.85 2o7uG1 LYS 276 HG2 -0.05 -0.05 0.02 -0.04 1.46 1.34 2o7uG1 LYS 276 HG3 -0.09 -0.03 0.01 -0.04 1.46 1.31 2o7uG1 LYS 276 HD2 -0.19 -0.08 0.06 -0.04 1.69 1.44 2o7uG1 LYS 276 HD3 -0.67 0.16 0.18 -0.04 1.68 1.31 2o7uG1 LYS 276 HE2 -0.74 -0.08 -0.03 -0.04 2.99 2.09 2o7uG1 LYS 276 HE3 -0.26 -0.08 0.01 -0.04 2.99 2.62 2o7uG1 ASP 277 H -0.04 0.11 0.20 -0.55 8.40 8.13 2o7uG1 ASP 277 HA -0.03 -0.01 0.30 -0.75 4.63 4.13 2o7uG1 ASP 277 HB2 -0.01 0.17 -0.09 -0.04 2.71 2.74 2o7uG1 ASP 277 HB3 -0.02 -0.02 0.15 -0.04 2.70 2.77 2o7uG1 LYS 278 H -0.02 0.24 -0.44 -0.55 8.42 7.66 2o7uG1 LYS 278 HA -0.02 0.11 0.49 -0.75 4.32 4.15 2o7uG1 LYS 278 HB2 -0.02 -0.00 -0.35 -0.04 1.87 1.45 2o7uG1 LYS 278 HB3 -0.05 0.21 -0.21 -0.04 1.79 1.71 2o7uG1 LYS 278 HG2 -0.02 -0.05 -0.36 -0.04 1.46 0.98 2o7uG1 LYS 278 HG3 -0.06 0.18 -0.14 -0.04 1.46 1.40 2o7uG1 LYS 278 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.60 2o7uG1 LYS 278 HD3 -0.02 0.04 -0.24 -0.04 1.68 1.41 2o7uG1 LYS 278 HE2 -0.02 -0.10 -0.01 -0.04 2.99 2.82 2o7uG1 LYS 278 HE3 -0.03 -0.01 0.01 -0.04 2.99 2.92 2o7uG1 SER 279 H 0.01 0.14 0.02 -0.55 8.46 8.08 2o7uG1 SER 279 HA 0.05 0.09 0.83 -0.75 4.49 4.70 2o7uG1 SER 279 HB2 0.13 0.41 -0.11 -0.04 3.95 4.34 2o7uG1 SER 279 HB3 0.28 0.22 0.14 -0.04 3.93 4.53 2o7uG1 LYS 280 H 0.04 0.16 0.14 -0.55 8.42 8.21 2o7uG1 LYS 280 HA -0.01 0.17 0.67 -0.75 4.32 4.40 2o7uG1 LYS 280 HB2 0.02 -0.01 0.06 -0.04 1.87 1.91 2o7uG1 LYS 280 HB3 0.01 0.01 0.04 -0.04 1.79 1.82 2o7uG1 LYS 280 HG2 0.01 0.02 -0.07 -0.04 1.46 1.38 2o7uG1 LYS 280 HG3 0.00 -0.00 -0.02 -0.04 1.46 1.40 2o7uG1 LYS 280 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.60 2o7uG1 LYS 280 HD3 -0.01 0.08 -0.21 -0.04 1.68 1.50 2o7uG1 LYS 280 HE2 -0.02 -0.01 -0.10 -0.04 2.99 2.82 2o7uG1 LYS 280 HE3 -0.01 0.04 -0.15 -0.04 2.99 2.83 2o7uG1 GLU 281 H 0.07 0.02 -0.02 -0.55 8.60 8.13 2o7uG1 GLU 281 HA 0.05 0.07 0.49 -0.75 4.29 4.14 2o7uG1 GLU 281 HB2 0.09 0.03 0.07 -0.04 2.09 2.23 2o7uG1 GLU 281 HB3 0.14 0.02 0.02 -0.04 1.99 2.12 2o7uG1 GLU 281 HG2 0.09 -0.12 0.07 -0.04 2.34 2.34 2o7uG1 GLU 281 HG3 0.17 0.07 0.06 -0.04 2.34 2.59 2o7uG1 PHE 282 H -0.00 0.18 -0.15 -0.55 8.34 7.82 2o7uG1 PHE 282 HA -0.29 0.11 0.57 -0.75 4.62 4.25 2o7uG1 PHE 282 HB2 -1.44 0.06 -0.21 -0.04 3.15 1.53 2o7uG1 PHE 282 HB3 -1.27 -0.02 -0.10 -0.04 3.06 1.62 2o7uG1 PHE 282 HD2 -0.56 -0.00 -0.11 -0.04 7.28 6.57 2o7uG1 PHE 282 HE2 -0.22 -0.05 -0.10 -0.04 7.38 6.97 2o7uG1 PHE 282 HZ -0.25 -0.03 -0.10 -0.04 7.32 6.91 2o7uG1 GLN 283 H -1.07 0.20 0.08 -0.55 8.47 7.13 2o7uG1 GLN 283 HA -0.42 0.41 0.96 -0.75 4.36 4.55 2o7uG1 GLN 283 HB2 -0.26 -0.16 -0.05 -0.04 2.15 1.63 2o7uG1 GLN 283 HB3 -0.20 0.14 0.01 -0.04 2.02 1.93 2o7uG1 GLN 283 HG2 -0.31 0.01 -0.06 -0.04 2.40 1.99 2o7uG1 GLN 283 HG3 -0.17 -0.04 -0.12 -0.04 2.39 2.02 2o7uG1 GLN 283 HE21 -0.09 0.16 -0.20 -0.04 6.97 6.80 2o7uG1 GLN 283 HE22 -0.15 -0.07 -0.08 -0.04 7.69 7.34 2o7uG1 LEU 284 H -0.51 0.84 0.24 -0.55 8.37 8.39 2o7uG1 LEU 284 HA -0.66 0.06 0.44 -0.75 4.35 3.44 2o7uG1 LEU 284 HB2 -0.93 0.10 -0.01 -0.04 1.64 0.75 2o7uG1 LEU 284 HB3 -1.57 -0.06 -0.20 -0.04 1.64 -0.23 2o7uG1 LEU 284 HG -0.28 0.06 -0.22 -0.04 1.64 1.16 2o7uG1 LEU 284 HD13 -0.43 -0.03 -0.31 -0.04 0.93 0.12 2o7uG1 LEU 284 HD23 -0.83 -0.01 -0.10 -0.04 0.89 -0.09 2o7uG1 PHE 285 H -0.32 0.11 -0.22 -0.55 8.34 7.37 2o7uG1 PHE 285 HA -0.11 0.18 0.57 -0.75 4.62 4.51 2o7uG1 PHE 285 HB2 -0.26 -0.03 0.04 -0.04 3.15 2.86 2o7uG1 PHE 285 HB3 -0.23 0.14 0.20 -0.04 3.06 3.13 2o7uG1 PHE 285 HD2 -0.25 0.03 -0.19 -0.04 7.28 6.82 2o7uG1 PHE 285 HE2 -0.60 -0.05 -0.16 -0.04 7.38 6.53 2o7uG1 PHE 285 HZ -1.54 -0.05 -0.24 -0.04 7.32 5.45 2o7uG1 SER 286 H -0.18 0.45 -0.32 -0.55 8.46 7.86 2o7uG1 SER 286 HA -0.03 -0.05 0.32 -0.75 4.49 3.98 2o7uG1 SER 286 HB2 -0.06 -0.04 0.19 -0.04 3.95 4.01 2o7uG1 SER 286 HB3 -0.06 0.15 -0.02 -0.04 3.93 3.96 2o7uG1 SER 287 H -0.05 0.32 0.22 -0.55 8.46 8.41 2o7uG1 SER 287 HA -0.08 0.21 0.47 -0.75 4.49 4.34 2o7uG1 SER 287 HB2 0.02 0.19 -0.09 -0.04 3.95 4.03 2o7uG1 SER 287 HB3 0.03 0.03 0.00 -0.04 3.93 3.95 2o7uG1 PRO 288 HA -0.12 0.16 0.75 -0.51 4.44 4.72 2o7uG1 PRO 288 HB2 -0.48 0.02 -0.01 -0.04 2.28 1.77 2o7uG1 PRO 288 HB3 -0.16 0.05 0.14 -0.04 2.02 2.00 2o7uG1 PRO 288 HG2 -0.20 0.07 0.07 -0.04 2.03 1.93 2o7uG1 PRO 288 HG3 -0.12 0.08 0.06 -0.04 2.03 2.00 2o7uG1 PRO 288 HD2 -0.24 0.08 0.21 -0.04 3.68 3.69 2o7uG1 PRO 288 HD3 -0.11 0.17 0.14 -0.04 3.65 3.81 2o7uG1 HIS 289 H -0.11 0.02 -0.29 -0.55 8.41 7.49 2o7uG1 HIS 289 HA -0.03 0.20 0.50 -0.75 4.63 4.54 2o7uG1 HIS 289 HB2 0.04 -0.00 -0.00 -0.04 3.26 3.26 2o7uG1 HIS 289 HB3 0.07 -0.05 0.10 -0.04 3.20 3.29 2o7uG1 HIS 289 HD2 0.07 0.01 -0.02 -0.04 6.97 6.99 2o7uG1 HIS 289 HE1 0.04 0.03 -0.05 -0.04 7.75 7.73 2o7uG1 GLY 290 H -0.01 0.27 -0.28 -0.55 8.43 7.86 2o7uG1 GLY 290 HA2 -0.04 0.09 0.17 -0.51 4.01 3.72 2o7uG1 GLY 290 HA3 -0.06 0.12 0.69 -0.51 4.01 4.24 2o7uG1 LYS 291 H 0.04 0.18 0.12 -0.55 8.42 8.21 2o7uG1 LYS 291 HA 0.03 0.20 0.94 -0.75 4.32 4.74 2o7uG1 LYS 291 HB2 0.07 -0.01 0.09 -0.04 1.87 1.98 2o7uG1 LYS 291 HB3 0.05 -0.08 0.06 -0.04 1.79 1.78 2o7uG1 LYS 291 HG2 0.01 0.09 -0.06 -0.04 1.46 1.46 2o7uG1 LYS 291 HG3 0.03 0.02 -0.06 -0.04 1.46 1.41 2o7uG1 LYS 291 HD2 0.04 -0.06 -0.04 -0.04 1.69 1.58 2o7uG1 LYS 291 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.57 2o7uG1 LYS 291 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2o7uG1 LYS 291 HE3 0.00 0.10 -0.03 -0.04 2.99 3.03 2o7uG1 ASP 292 H 0.07 0.21 0.17 -0.55 8.40 8.30 2o7uG1 ASP 292 HA 0.13 0.14 0.40 -0.75 4.63 4.55 2o7uG1 ASP 292 HB2 0.16 0.13 -0.08 -0.04 2.71 2.88 2o7uG1 ASP 292 HB3 0.19 -0.03 0.10 -0.04 2.70 2.92 2o7uG1 LEU 293 H 0.09 0.11 -0.28 -0.55 8.37 7.75 2o7uG1 LEU 293 HA 0.12 0.03 0.61 -0.75 4.35 4.35 2o7uG1 LEU 293 HB2 0.07 0.10 -0.10 -0.04 1.64 1.67 2o7uG1 LEU 293 HB3 0.08 -0.06 -0.14 -0.04 1.64 1.49 2o7uG1 LEU 293 HG 0.08 -0.00 -0.59 -0.04 1.64 1.09 2o7uG1 LEU 293 HD13 0.12 0.03 -0.43 -0.04 0.93 0.61 2o7uG1 LEU 293 HD23 0.14 -0.01 -0.23 -0.04 0.89 0.75 2o7uG1 LEU 294 H 0.06 0.07 0.10 -0.55 8.37 8.05 2o7uG1 LEU 294 HA -0.07 -0.05 0.39 -0.75 4.35 3.87 2o7uG1 LEU 294 HB2 -0.37 0.29 0.09 -0.04 1.64 1.60 2o7uG1 LEU 294 HB3 -0.99 -0.00 -0.02 -0.04 1.64 0.60 2o7uG1 LEU 294 HG -0.06 -0.11 -0.27 -0.04 1.64 1.16 2o7uG1 LEU 294 HD13 -0.18 0.03 -0.18 -0.04 0.93 0.56 2o7uG1 LEU 294 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 2o7uG1 PHE 295 H 0.07 0.90 -0.45 -0.55 8.34 8.31 2o7uG1 PHE 295 HA 0.27 0.06 0.58 -0.75 4.62 4.77 2o7uG1 PHE 295 HB2 0.14 0.17 -0.18 -0.04 3.15 3.24 2o7uG1 PHE 295 HB3 0.36 -0.08 -0.04 -0.04 3.06 3.26 2o7uG1 PHE 295 HD2 0.11 0.11 -0.08 -0.04 7.28 7.38 2o7uG1 PHE 295 HE2 -0.25 -0.00 -0.13 -0.04 7.38 6.96 2o7uG1 PHE 295 HZ -0.85 0.00 -0.15 -0.04 7.32 6.28 2o7uG1 GLU 296 H 0.34 0.11 0.02 -0.55 8.60 8.52 2o7uG1 GLU 296 HA 0.17 0.01 0.48 -0.75 4.29 4.20 2o7uG1 GLU 296 HB2 0.10 0.05 0.08 -0.04 2.09 2.28 2o7uG1 GLU 296 HB3 0.01 -0.12 0.06 -0.04 1.99 1.91 2o7uG1 GLU 296 HG2 0.19 0.05 -0.01 -0.04 2.34 2.53 2o7uG1 GLU 296 HG3 -0.35 -0.04 0.01 -0.04 2.34 1.92 2o7uG1 ASP 297 H 0.07 -0.00 0.24 -0.55 8.40 8.16 2o7uG1 ASP 297 HA 0.05 0.41 0.58 -0.75 4.63 4.92 2o7uG1 ASP 297 HB2 -0.01 -0.17 0.19 -0.04 2.71 2.68 2o7uG1 ASP 297 HB3 -0.05 0.13 0.13 -0.04 2.70 2.87 2o7uG1 SER 298 H -0.06 -0.13 -0.24 -0.55 8.46 7.48 2o7uG1 SER 298 HA -0.18 0.20 0.35 -0.75 4.49 4.11 2o7uG1 SER 298 HB2 -0.13 0.01 0.08 -0.04 3.95 3.87 2o7uG1 SER 298 HB3 -0.18 -0.03 0.02 -0.04 3.93 3.69 2o7uG1 ALA 299 H -0.20 0.22 -0.57 -0.55 8.40 7.29 2o7uG1 ALA 299 HA -0.63 0.08 0.48 -0.75 4.34 3.52 2o7uG1 ALA 299 HB3 -0.64 -0.01 0.07 -0.04 1.41 0.80 2o7uG1 HIS 300 H -0.80 0.66 0.38 -0.55 8.41 8.11 2o7uG1 HIS 300 HA -0.76 0.18 0.84 -0.75 4.63 4.14 2o7uG1 HIS 300 HB2 -0.58 0.04 -0.23 -0.04 3.26 2.46 2o7uG1 HIS 300 HB3 -0.38 -0.06 -0.06 -0.04 3.20 2.66 2o7uG1 HIS 300 HD2 -0.18 -0.16 -0.12 -0.04 6.97 6.46 2o7uG1 HIS 300 HE1 -0.12 -0.03 -0.01 -0.04 7.75 7.55 2o7uG1 GLY 301 H -1.34 0.18 0.19 -0.55 8.43 6.90 2o7uG1 GLY 301 HA2 -0.64 0.07 0.26 -0.51 4.01 3.19 2o7uG1 GLY 301 HA3 -0.73 0.14 0.50 -0.51 4.01 3.41 2o7uG1 PHE 302 H 0.18 0.27 0.15 -0.55 8.34 8.38 2o7uG1 PHE 302 HA 0.25 0.33 1.03 -0.75 4.62 5.47 2o7uG1 PHE 302 HB2 0.25 -0.00 -0.07 -0.04 3.15 3.28 2o7uG1 PHE 302 HB3 0.44 0.03 -0.15 -0.04 3.06 3.33 2o7uG1 PHE 302 HD2 0.06 0.09 -0.25 -0.04 7.28 7.14 2o7uG1 PHE 302 HE2 -0.20 -0.02 -0.16 -0.04 7.38 6.97 2o7uG1 PHE 302 HZ -1.92 0.02 -0.18 -0.04 7.32 5.19 2o7uG1 LEU 303 H 0.49 0.67 0.25 -0.55 8.37 9.23 2o7uG1 LEU 303 HA 0.30 0.18 0.85 -0.75 4.35 4.93 2o7uG1 LEU 303 HB2 0.17 -0.04 -0.03 -0.04 1.64 1.71 2o7uG1 LEU 303 HB3 0.03 0.12 0.02 -0.04 1.64 1.77 2o7uG1 LEU 303 HG 0.14 -0.08 -0.30 -0.04 1.64 1.36 2o7uG1 LEU 303 HD13 -0.05 0.00 -0.10 -0.04 0.93 0.74 2o7uG1 LEU 303 HD23 -0.07 0.03 0.01 -0.04 0.89 0.83 2o7uG1 LYS 304 H -0.55 0.15 0.11 -0.55 8.42 7.57 2o7uG1 LYS 304 HA -0.40 0.11 0.69 -0.75 4.32 3.97 2o7uG1 LYS 304 HB2 -1.80 -0.04 0.10 -0.04 1.87 0.09 2o7uG1 LYS 304 HB3 -0.58 -0.01 -0.03 -0.04 1.79 1.13 2o7uG1 LYS 304 HG2 -0.40 0.21 -0.00 -0.04 1.46 1.23 2o7uG1 LYS 304 HG3 -0.97 -0.05 0.05 -0.04 1.46 0.45 2o7uG1 LYS 304 HD2 -0.99 -0.03 -0.02 -0.04 1.69 0.62 2o7uG1 LYS 304 HD3 -0.41 -0.00 -0.06 -0.04 1.68 1.16 2o7uG1 LYS 304 HE2 -0.18 0.04 -0.03 -0.04 2.99 2.79 2o7uG1 LYS 304 HE3 -0.23 -0.04 -0.01 -0.04 2.99 2.67 2o7uG1 VAL 305 H -0.09 0.45 0.11 -0.55 8.24 8.16 2o7uG1 VAL 305 HA -0.01 0.08 0.61 -0.75 4.13 4.06 2o7uG1 VAL 305 HB -0.08 0.06 0.00 -0.04 2.12 2.07 2o7uG1 VAL 305 HG13 -0.06 0.08 -0.19 -0.04 0.97 0.75 2o7uG1 VAL 305 HG23 -0.13 -0.06 -0.41 -0.04 0.95 0.32 2o7uG1 PRO 306 HA -0.08 0.05 0.31 -0.51 4.44 4.21 2o7uG1 PRO 306 HB2 -0.02 0.09 -0.02 -0.04 2.28 2.28 2o7uG1 PRO 306 HB3 -0.03 -0.01 0.08 -0.04 2.02 2.01 2o7uG1 PRO 306 HG2 0.02 0.00 0.02 -0.04 2.03 2.04 2o7uG1 PRO 306 HG3 0.01 0.01 0.05 -0.04 2.03 2.06 2o7uG1 PRO 306 HD2 0.05 0.03 0.16 -0.04 3.68 3.88 2o7uG1 PRO 306 HD3 -0.01 0.20 0.17 -0.04 3.65 3.97 2o7uG1 PRO 307 HA -0.03 0.03 0.41 -0.51 4.44 4.34 2o7uG1 PRO 307 HB2 -0.02 0.02 -0.03 -0.04 2.28 2.22 2o7uG1 PRO 307 HB3 -0.02 0.00 0.12 -0.04 2.02 2.08 2o7uG1 PRO 307 HG2 -0.02 0.03 0.05 -0.04 2.03 2.04 2o7uG1 PRO 307 HG3 -0.03 0.03 0.07 -0.04 2.03 2.05 2o7uG1 PRO 307 HD2 -0.05 0.06 0.20 -0.04 3.68 3.85 2o7uG1 PRO 307 HD3 -0.07 0.14 0.16 -0.04 3.65 3.84 2o7uG1 ARG 308 H -0.02 0.13 0.15 -0.55 8.46 8.17 2o7uG1 ARG 308 HA -0.01 -0.00 0.27 -0.75 4.34 3.85 2o7uG1 ARG 308 HB2 -0.01 -0.05 -0.09 -0.04 1.90 1.72 2o7uG1 ARG 308 HB3 -0.01 0.20 -0.20 -0.04 1.80 1.75 2o7uG1 ARG 308 HG2 -0.01 -0.04 0.24 -0.04 1.67 1.83 2o7uG1 ARG 308 HG3 -0.00 -0.02 0.06 -0.04 1.67 1.67 2o7uG1 ARG 308 HD2 -0.00 0.01 -0.02 -0.04 3.22 3.16 2o7uG1 ARG 308 HD3 -0.00 0.02 0.03 -0.04 3.22 3.22 2o7uG1 MET 309 H -0.02 0.23 -0.33 -0.55 8.47 7.81 2o7uG1 MET 309 HA 0.01 0.04 0.79 -0.75 4.52 4.60 2o7uG1 MET 309 HB2 0.02 0.09 -0.10 -0.04 2.15 2.13 2o7uG1 MET 309 HB3 0.00 0.11 0.03 -0.04 2.03 2.14 2o7uG1 MET 309 HG2 0.10 -0.03 -0.23 -0.04 2.63 2.43 2o7uG1 MET 309 HG3 0.08 -0.10 -0.10 -0.04 2.56 2.39 2o7uG1 MET 309 HE3 0.05 -0.00 -0.08 -0.04 2.10 2.03 2o7uG1 ASP 310 H -0.02 0.15 0.10 -0.55 8.40 8.08 2o7uG1 ASP 310 HA -0.09 0.18 0.55 -0.75 4.63 4.52 2o7uG1 ASP 310 HB2 -0.28 -0.01 0.10 -0.04 2.71 2.48 2o7uG1 ASP 310 HB3 -0.10 0.12 0.07 -0.04 2.70 2.76 2o7uG1 ALA 311 H -0.17 0.27 0.19 -0.55 8.40 8.14 2o7uG1 ALA 311 HA 0.05 0.08 0.38 -0.75 4.34 4.10 2o7uG1 ALA 311 HB3 -0.09 0.05 0.09 -0.04 1.41 1.42 2o7uG1 LYS 312 H -0.25 0.07 -0.33 -0.55 8.42 7.36 2o7uG1 LYS 312 HA 0.08 0.09 0.25 -0.75 4.32 3.98 2o7uG1 LYS 312 HB2 -0.08 -0.01 0.02 -0.04 1.87 1.76 2o7uG1 LYS 312 HB3 0.02 0.03 -0.04 -0.04 1.79 1.75 2o7uG1 LYS 312 HG2 0.13 0.03 -0.02 -0.04 1.46 1.56 2o7uG1 LYS 312 HG3 -0.27 -0.04 -0.01 -0.04 1.46 1.10 2o7uG1 LYS 312 HD2 0.22 0.04 -0.02 -0.04 1.69 1.89 2o7uG1 LYS 312 HD3 -0.05 -0.00 -0.01 -0.04 1.68 1.57 2o7uG1 LYS 312 HE2 0.06 -0.02 -0.04 -0.04 2.99 2.95 2o7uG1 LYS 312 HE3 0.12 0.01 -0.03 -0.04 2.99 3.06 2o7uG1 MET 313 H -0.00 0.14 -0.13 -0.55 8.47 7.93 2o7uG1 MET 313 HA 0.05 0.01 0.42 -0.75 4.52 4.25 2o7uG1 MET 313 HB2 0.03 0.05 0.15 -0.04 2.15 2.35 2o7uG1 MET 313 HB3 0.07 0.08 -0.13 -0.04 2.03 2.01 2o7uG1 MET 313 HG2 0.03 0.01 0.06 -0.04 2.63 2.69 2o7uG1 MET 313 HG3 0.01 -0.05 0.07 -0.04 2.56 2.55 2o7uG1 MET 313 HE3 0.01 0.00 0.05 -0.04 2.10 2.12 2o7uG1 TYR 314 H 0.19 0.37 -0.38 -0.55 8.29 7.92 2o7uG1 TYR 314 HA 0.04 0.07 0.28 -0.75 4.56 4.20 2o7uG1 TYR 314 HB2 0.03 0.04 -0.10 -0.04 3.06 2.99 2o7uG1 TYR 314 HB3 0.05 0.14 0.02 -0.04 2.98 3.15 2o7uG1 TYR 314 HD2 0.08 0.02 -0.09 -0.04 7.15 7.12 2o7uG1 TYR 314 HE2 0.12 -0.02 -0.08 -0.04 6.85 6.83 2o7uG1 LEU 315 H 0.13 0.25 -0.28 -0.55 8.37 7.91 2o7uG1 LEU 315 HA -0.06 0.08 0.51 -0.75 4.35 4.12 2o7uG1 LEU 315 HB2 0.17 0.07 0.05 -0.04 1.64 1.89 2o7uG1 LEU 315 HB3 0.40 -0.11 0.06 -0.04 1.64 1.95 2o7uG1 LEU 315 HG 0.31 0.27 0.05 -0.04 1.64 2.23 2o7uG1 LEU 315 HD13 0.27 -0.04 -0.11 -0.04 0.93 1.00 2o7uG1 LEU 315 HD23 0.36 -0.04 -0.07 -0.04 0.89 1.11 2o7uG1 GLY 316 H 0.05 0.24 -0.25 -0.55 8.43 7.92 2o7uG1 GLY 316 HA2 0.05 0.07 0.37 -0.51 4.01 3.99 2o7uG1 GLY 316 HA3 0.04 0.13 0.65 -0.51 4.01 4.32 2o7uG1 TYR 317 H 0.16 0.18 0.17 -0.55 8.29 8.25 2o7uG1 TYR 317 HA 0.01 0.13 0.20 -0.75 4.56 4.15 2o7uG1 TYR 317 HB2 0.00 0.06 0.13 -0.04 3.06 3.21 2o7uG1 TYR 317 HB3 0.00 -0.03 0.18 -0.04 2.98 3.10 2o7uG1 TYR 317 HD2 0.00 -0.00 -0.10 -0.04 7.15 7.01 2o7uG1 TYR 317 HE2 -0.00 0.03 -0.04 -0.04 6.85 6.80 2o7uG1 GLU 318 H 0.18 0.14 0.07 -0.55 8.60 8.45 2o7uG1 GLU 318 HA -0.03 0.10 0.46 -0.75 4.29 4.07 2o7uG1 GLU 318 HB2 0.09 0.07 0.12 -0.04 2.09 2.33 2o7uG1 GLU 318 HB3 0.20 -0.00 0.10 -0.04 1.99 2.24 2o7uG1 GLU 318 HG2 0.06 0.06 -0.22 -0.04 2.34 2.19 2o7uG1 GLU 318 HG3 0.05 0.05 -0.00 -0.04 2.34 2.40 2o7uG1 TYR 319 H 0.11 0.10 -0.47 -0.55 8.29 7.48 2o7uG1 TYR 319 HA -0.07 0.16 0.84 -0.75 4.56 4.73 2o7uG1 TYR 319 HB2 -0.06 0.02 0.10 -0.04 3.06 3.08 2o7uG1 TYR 319 HB3 -0.05 0.26 0.01 -0.04 2.98 3.15 2o7uG1 TYR 319 HD2 -0.04 0.09 0.02 -0.04 7.15 7.18 2o7uG1 TYR 319 HE2 0.00 -0.04 -0.12 -0.04 6.85 6.65 2o7uG1 VAL 320 H -0.09 0.47 -0.09 -0.55 8.24 7.98 2o7uG1 VAL 320 HA -0.49 0.02 0.41 -0.75 4.13 3.31 2o7uG1 VAL 320 HB -0.18 0.12 0.17 -0.04 2.12 2.19 2o7uG1 VAL 320 HG13 -0.05 -0.02 -0.10 -0.04 0.97 0.76 2o7uG1 VAL 320 HG23 0.02 0.03 0.03 -0.04 0.95 0.98 2o7uG1 THR 321 H -0.31 0.57 -0.03 -0.55 8.28 7.97 2o7uG1 THR 321 HA -0.25 0.01 0.33 -0.75 4.39 3.73 2o7uG1 THR 321 HB -0.20 -0.02 0.11 -0.04 4.32 4.16 2o7uG1 THR 321 HG23 -0.09 0.01 -0.08 -0.04 1.22 1.02 2o7uG1 ALA 322 H -0.16 0.26 -0.46 -0.55 8.40 7.48 2o7uG1 ALA 322 HA -0.12 0.03 0.30 -0.75 4.34 3.80 2o7uG1 ALA 322 HB3 -0.08 0.08 0.09 -0.04 1.41 1.46 2o7uG1 ILE 323 H -0.38 0.35 -0.39 -0.55 8.25 7.27 2o7uG1 ILE 323 HA -0.25 0.03 0.33 -0.75 4.18 3.54 2o7uG1 ILE 323 HB -0.76 0.13 0.17 -0.04 1.89 1.39 2o7uG1 ILE 323 HG12 -0.39 -0.08 0.00 -0.04 1.49 0.98 2o7uG1 ILE 323 HG13 -0.73 0.21 0.05 -0.04 1.21 0.70 2o7uG1 ILE 323 HG23 -0.52 -0.02 -0.10 -0.04 0.93 0.25 2o7uG1 ILE 323 HD13 -0.89 -0.04 -0.04 -0.04 0.88 -0.13 2o7uG1 ARG 324 H -0.26 0.41 0.00 -0.55 8.46 8.07 2o7uG1 ARG 324 HA -0.08 0.05 0.36 -0.75 4.34 3.91 2o7uG1 ARG 324 HB2 -0.11 0.08 0.12 -0.04 1.90 1.96 2o7uG1 ARG 324 HB3 -0.06 -0.04 -0.00 -0.04 1.80 1.66 2o7uG1 ARG 324 HG2 0.04 -0.00 0.02 -0.04 1.67 1.69 2o7uG1 ARG 324 HG3 0.05 0.00 0.01 -0.04 1.67 1.70 2o7uG1 ARG 324 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.18 2o7uG1 ARG 324 HD3 0.08 -0.01 -0.01 -0.04 3.22 3.23 2o7uG1 ASN 325 H -0.16 0.56 -0.25 -0.55 8.53 8.13 2o7uG1 ASN 325 HA -0.15 -0.26 0.66 -0.75 4.76 4.26 2o7uG1 ASN 325 HB2 -0.15 0.17 0.08 -0.04 2.88 2.94 2o7uG1 ASN 325 HB3 -0.16 0.07 0.10 -0.04 2.79 2.76 2o7uG1 ASN 325 HD21 -0.05 -0.09 -0.05 -0.04 7.03 6.80 2o7uG1 ASN 325 HD22 -0.08 0.03 -0.08 -0.04 7.74 7.57 2o7uG1 LEU 326 H -0.21 0.42 -0.42 -0.55 8.37 7.62 2o7uG1 LEU 326 HA -0.57 0.16 0.73 -0.75 4.35 3.92 2o7uG1 LEU 326 HB2 -0.22 0.03 0.11 -0.04 1.64 1.51 2o7uG1 LEU 326 HB3 -0.16 0.11 0.23 -0.04 1.64 1.78 2o7uG1 LEU 326 HG -0.05 -0.05 0.21 -0.04 1.64 1.71 2o7uG1 LEU 326 HD13 -0.20 -0.01 -0.14 -0.04 0.93 0.53 2o7uG1 LEU 326 HD23 -0.05 -0.01 0.04 -0.04 0.89 0.83 2o7uG1 ARG 327 H -0.20 -0.15 -0.48 -0.55 8.46 7.07 2o7uG1 ARG 327 HA -0.02 0.01 0.43 -0.75 4.34 4.01 2o7uG1 ARG 327 HB2 -0.03 0.09 0.05 -0.04 1.90 1.97 2o7uG1 ARG 327 HB3 0.01 -0.09 0.11 -0.04 1.80 1.78 2o7uG1 ARG 327 HG2 0.04 -0.13 0.13 -0.04 1.67 1.67 2o7uG1 ARG 327 HG3 -0.01 0.36 -0.26 -0.04 1.67 1.71 2o7uG1 ARG 327 HD2 0.02 -0.02 -0.14 -0.04 3.22 3.05 2o7uG1 ARG 327 HD3 0.06 -0.07 -0.02 -0.04 3.22 3.15 2o7uG1 GLU 328 H -0.16 -0.08 0.05 -0.55 8.60 7.87 2o7uG1 GLU 328 HA 0.01 0.10 0.69 -0.75 4.29 4.34 2o7uG1 GLU 328 HB2 -0.02 -0.03 -0.08 -0.04 2.09 1.92 2o7uG1 GLU 328 HB3 0.00 -0.01 0.04 -0.04 1.99 1.98 2o7uG1 GLU 328 HG2 -0.01 0.08 -0.47 -0.04 2.34 1.90 2o7uG1 GLU 328 HG3 -0.04 0.28 -0.05 -0.04 2.34 2.48 2o7uG1 GLY 329 H -0.11 0.06 0.26 -0.55 8.43 8.09 2o7uG1 GLY 329 HA2 -0.03 -0.09 0.40 -0.51 4.01 3.79 2o7uG1 GLY 329 HA3 -0.08 -0.01 0.44 -0.51 4.01 3.85 2o7uG1 THR 330 H 0.02 -0.05 0.18 -0.55 8.28 7.88 2o7uG1 THR 330 HA 0.22 0.17 0.21 -0.75 4.39 4.24 2o7uG1 THR 330 HB 0.04 0.03 0.15 -0.04 4.32 4.50 2o7uG1 THR 330 HG23 0.05 -0.04 0.09 -0.04 1.22 1.29 2o7uG1 CYS 331 H 0.05 0.17 0.07 -0.55 8.50 8.24 2o7uG1 CYS 331 HA 0.04 0.18 0.57 -0.75 4.58 4.61 2o7uG1 CYS 331 HB2 -0.01 0.01 0.05 -0.04 2.97 2.99 2o7uG1 CYS 331 HB3 0.01 0.08 0.10 -0.04 2.97 3.12