============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 5 1.000 46.426 37.008 16.185 -99.200 -91.000 TYR 12 0.840 61.210 28.842 19.273 -99.200 -91.000 PHE 23 1.000 59.972 10.209 17.652 -99.200 -91.000 PHE 27 1.000 61.900 17.388 20.341 -99.200 -91.000 HIS 31 0.900 63.364 33.370 17.316 -99.200 -91.000 PHE 52 1.000 45.085 21.501 23.614 -99.200 -91.000 HIS 68 0.900 57.903 35.568 41.561 -99.200 -91.000 TYR 85 0.840 56.201 20.389 19.654 -99.200 -91.000 PHE 88 1.000 56.982 25.717 29.533 -99.200 -91.000 PHE 90 1.000 67.729 24.452 28.478 -99.200 -91.000 HIS 93 0.900 72.375 23.523 35.961 -99.200 -91.000 PHE 106 1.000 73.006 22.454 45.909 -99.200 -91.000 TYR 123 0.840 53.280 36.120 49.278 -99.200 -91.000 TYR 124 0.840 53.273 35.389 40.774 -99.200 -91.000 HIS 126 0.900 50.753 28.174 47.536 -99.200 -91.000 HIS 132 0.900 53.905 22.540 40.959 -99.200 -91.000 PHE 153 1.000 53.311 26.299 37.807 -99.200 -91.000 PHE 159 1.000 44.262 28.602 46.501 -99.200 -91.000 TYR 170 0.840 39.609 22.876 45.273 -99.200 -91.000 TRP 177 1.040 58.496 8.012 46.706 -99.200 -91.000 TRP6 177 1.020 60.524 7.697 45.535 -99.200 -91.000 TYR 178 0.840 59.090 14.938 46.390 -99.200 -91.000 TYR 190 0.840 43.493 19.347 47.206 -99.200 -91.000 TRP 197 1.040 54.190 16.601 52.991 -99.200 -91.000 TRP6 197 1.020 54.236 16.135 55.312 -99.200 -91.000 TRP 207 1.040 71.414 20.544 54.853 -99.200 -91.000 TRP6 207 1.020 69.487 21.918 54.900 -99.200 -91.000 HIS 220 0.900 56.517 1.711 52.282 -99.200 -91.000 TRP 237 1.040 44.826 16.747 60.950 -99.200 -91.000 TRP6 237 1.020 45.676 15.467 59.153 -99.200 -91.000 TYR 243 0.840 40.850 14.086 56.761 -99.200 -91.000 TYR 246 0.840 42.136 8.883 62.415 -99.200 -91.000 TYR 266 0.840 71.098 12.295 56.499 -99.200 -91.000 TYR 271 0.840 68.839 30.344 63.709 -99.200 -91.000 HIS 296 0.900 62.528 29.429 60.802 -99.200 -91.000 PHE 298 1.000 67.543 27.915 56.133 -99.200 -91.000 PHE 299 1.000 64.582 31.190 53.820 -99.200 -91.000 TRP 300 1.040 64.889 36.943 57.246 -99.200 -91.000 TRP6 300 1.020 65.351 38.630 55.665 -99.200 -91.000 HIS 315 0.900 76.332 20.548 36.283 -99.200 -91.000 PHE 320 1.000 88.505 15.959 30.959 -99.200 -91.000 TYR 322 0.840 81.339 16.333 37.477 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mi9A1 VAL 8 HA -0.01 -0.10 0.21 -0.75 4.13 3.47 3mi9A1 VAL 8 HB -0.01 -0.02 0.02 -0.04 2.12 2.07 3mi9A1 VAL 8 HG13 -0.01 0.03 -0.09 -0.04 0.97 0.87 3mi9A1 VAL 8 HG23 -0.00 -0.01 0.02 -0.04 0.95 0.92 3mi9A1 GLU 9 H -0.03 0.05 0.08 -0.55 8.60 8.16 3mi9A1 GLU 9 HA -0.05 0.02 0.43 -0.75 4.29 3.93 3mi9A1 GLU 9 HB2 -0.05 -0.01 0.14 -0.04 2.09 2.14 3mi9A1 GLU 9 HB3 -0.09 -0.01 -0.00 -0.04 1.99 1.85 3mi9A1 GLU 9 HG2 -0.04 0.01 0.05 -0.04 2.34 2.33 3mi9A1 GLU 9 HG3 -0.05 -0.00 0.03 -0.04 2.34 2.28 3mi9A1 CYS 10 H -0.08 0.10 0.07 -0.55 8.50 8.03 3mi9A1 CYS 10 HA -0.08 0.13 0.64 -0.75 4.58 4.51 3mi9A1 CYS 10 HB2 -0.03 0.15 -0.22 -0.04 2.97 2.84 3mi9A1 CYS 10 HB3 -0.03 -0.01 0.14 -0.04 2.97 3.03 3mi9A1 PRO 11 HA -0.22 0.08 0.39 -0.51 4.44 4.19 3mi9A1 PRO 11 HB2 -0.85 0.06 0.04 -0.04 2.28 1.48 3mi9A1 PRO 11 HB3 -0.37 0.00 0.09 -0.04 2.02 1.71 3mi9A1 PRO 11 HG2 -1.65 0.06 -0.04 -0.04 2.03 0.36 3mi9A1 PRO 11 HG3 -0.62 0.05 0.00 -0.04 2.03 1.42 3mi9A1 PRO 11 HD2 -0.25 0.18 -0.03 -0.04 3.68 3.55 3mi9A1 PRO 11 HD3 -0.23 0.06 -0.06 -0.04 3.65 3.38 3mi9A1 PHE 12 H -0.14 0.08 -0.45 -0.55 8.34 7.28 3mi9A1 PHE 12 HA -0.00 0.27 1.05 -0.75 4.62 5.19 3mi9A1 PHE 12 HB2 -0.01 0.01 0.01 -0.04 3.15 3.11 3mi9A1 PHE 12 HB3 -0.01 0.03 0.14 -0.04 3.06 3.19 3mi9A1 PHE 12 HD2 -0.01 0.08 -0.10 -0.04 7.28 7.21 3mi9A1 PHE 12 HE2 -0.01 0.01 -0.05 -0.04 7.38 7.29 3mi9A1 PHE 12 HZ -0.01 -0.00 -0.04 -0.04 7.32 7.23 3mi9A1 CYS 13 H 0.04 0.33 -0.27 -0.55 8.50 8.05 3mi9A1 CYS 13 HA 0.07 0.25 0.81 -0.75 4.58 4.95 3mi9A1 CYS 13 HB2 0.05 0.01 -0.14 -0.04 2.97 2.86 3mi9A1 CYS 13 HB3 0.03 -0.04 0.11 -0.04 2.97 3.02 3mi9A1 ASP 14 H 0.06 0.14 0.00 -0.55 8.40 8.06 3mi9A1 ASP 14 HA 0.01 0.10 0.44 -0.75 4.63 4.43 3mi9A1 ASP 14 HB2 0.05 -0.01 -0.02 -0.04 2.71 2.68 3mi9A1 ASP 14 HB3 0.00 0.00 0.06 -0.04 2.70 2.73 3mi9A1 GLU 15 H -0.00 0.11 0.21 -0.55 8.60 8.37 3mi9A1 GLU 15 HA 0.03 0.42 0.72 -0.75 4.29 4.71 3mi9A1 GLU 15 HB2 -0.02 -0.04 0.19 -0.04 2.09 2.17 3mi9A1 GLU 15 HB3 -0.00 -0.05 0.19 -0.04 1.99 2.09 3mi9A1 GLU 15 HG2 0.01 0.02 0.05 -0.04 2.34 2.38 3mi9A1 GLU 15 HG3 -0.00 0.02 0.13 -0.04 2.34 2.44 3mi9A1 VAL 16 H 0.04 0.67 0.28 -0.55 8.24 8.67 3mi9A1 VAL 16 HA 0.10 0.05 0.28 -0.75 4.13 3.80 3mi9A1 VAL 16 HB -0.04 0.01 -0.11 -0.04 2.12 1.94 3mi9A1 VAL 16 HG13 -0.13 0.02 -0.19 -0.04 0.97 0.63 3mi9A1 VAL 16 HG23 -0.27 0.00 -0.10 -0.04 0.95 0.54 3mi9A1 SER 17 H -0.03 -0.01 -0.62 -0.55 8.46 7.25 3mi9A1 SER 17 HA -0.08 0.10 0.33 -0.75 4.49 4.08 3mi9A1 SER 17 HB2 -0.06 -0.02 -0.02 -0.04 3.95 3.82 3mi9A1 SER 17 HB3 -0.07 0.04 -0.00 -0.04 3.93 3.86 3mi9A1 LYS 18 H -0.13 0.35 -0.37 -0.55 8.42 7.72 3mi9A1 LYS 18 HA -0.27 0.02 0.38 -0.75 4.32 3.70 3mi9A1 LYS 18 HB2 -0.56 -0.10 0.07 -0.04 1.87 1.24 3mi9A1 LYS 18 HB3 -0.23 -0.00 0.07 -0.04 1.79 1.59 3mi9A1 LYS 18 HG2 -0.20 0.07 -0.08 -0.04 1.46 1.21 3mi9A1 LYS 18 HG3 -1.15 -0.05 -0.25 -0.04 1.46 -0.04 3mi9A1 LYS 18 HD2 -0.09 -0.02 -0.06 -0.04 1.69 1.48 3mi9A1 LYS 18 HD3 0.03 -0.00 -0.19 -0.04 1.68 1.48 3mi9A1 LYS 18 HE2 -0.14 -0.02 -0.12 -0.04 2.99 2.66 3mi9A1 LYS 18 HE3 -0.10 -0.04 -0.05 -0.04 2.99 2.75 3mi9A1 TYR 19 H -0.07 0.64 -0.32 -0.55 8.29 7.98 3mi9A1 TYR 19 HA -0.16 0.16 0.99 -0.75 4.56 4.79 3mi9A1 TYR 19 HB2 -0.14 0.06 -0.10 -0.04 3.06 2.84 3mi9A1 TYR 19 HB3 -0.10 -0.06 -0.19 -0.04 2.98 2.59 3mi9A1 TYR 19 HD2 -0.05 0.02 -0.40 -0.04 7.15 6.68 3mi9A1 TYR 19 HE2 0.09 0.00 -0.18 -0.04 6.85 6.72 3mi9A1 GLU 20 H 0.03 0.48 0.24 -0.55 8.60 8.80 3mi9A1 GLU 20 HA -0.07 0.15 0.83 -0.75 4.29 4.45 3mi9A1 GLU 20 HB2 -0.05 0.02 -0.01 -0.04 2.09 2.01 3mi9A1 GLU 20 HB3 -0.03 -0.06 0.10 -0.04 1.99 1.96 3mi9A1 GLU 20 HG2 -0.06 0.09 -0.02 -0.04 2.34 2.31 3mi9A1 GLU 20 HG3 -0.05 -0.02 0.01 -0.04 2.34 2.24 3mi9A1 LYS 21 H -0.15 0.15 0.06 -0.55 8.42 7.93 3mi9A1 LYS 21 HA -0.14 0.06 0.54 -0.75 4.32 4.03 3mi9A1 LYS 21 HB2 -0.27 0.00 0.06 -0.04 1.87 1.62 3mi9A1 LYS 21 HB3 -0.34 0.01 -0.05 -0.04 1.79 1.38 3mi9A1 LYS 21 HG2 -0.54 -0.01 -0.13 -0.04 1.46 0.75 3mi9A1 LYS 21 HG3 -0.36 0.02 -0.09 -0.04 1.46 0.99 3mi9A1 LYS 21 HD2 -0.62 0.01 -0.07 -0.04 1.69 0.97 3mi9A1 LYS 21 HD3 -2.00 0.00 -0.10 -0.04 1.68 -0.46 3mi9A1 LYS 21 HE2 -0.91 -0.02 -0.15 -0.04 2.99 1.86 3mi9A1 LYS 21 HE3 -0.53 0.01 -0.14 -0.04 2.99 2.29 3mi9A1 LEU 22 H -0.04 0.72 0.48 -0.55 8.37 8.98 3mi9A1 LEU 22 HA -0.03 0.17 0.90 -0.75 4.35 4.64 3mi9A1 LEU 22 HB2 -0.07 -0.01 -0.06 -0.04 1.64 1.46 3mi9A1 LEU 22 HB3 -0.04 -0.03 -0.02 -0.04 1.64 1.51 3mi9A1 LEU 22 HG -0.06 0.03 -0.09 -0.04 1.64 1.48 3mi9A1 LEU 22 HD13 -0.09 -0.01 -0.20 -0.04 0.93 0.58 3mi9A1 LEU 22 HD23 -0.03 0.02 -0.15 -0.04 0.89 0.68 3mi9A1 ALA 23 H 0.05 0.37 0.35 -0.55 8.40 8.62 3mi9A1 ALA 23 HA 0.09 0.08 0.53 -0.75 4.34 4.28 3mi9A1 ALA 23 HB3 0.02 0.05 -0.02 -0.04 1.41 1.42 3mi9A1 LYS 24 H 0.09 0.14 0.21 -0.55 8.42 8.31 3mi9A1 LYS 24 HA 0.01 0.17 0.84 -0.75 4.32 4.58 3mi9A1 LYS 24 HB2 0.03 -0.00 0.15 -0.04 1.87 2.00 3mi9A1 LYS 24 HB3 0.04 -0.04 0.17 -0.04 1.79 1.92 3mi9A1 LYS 24 HG2 -0.02 0.14 -0.32 -0.04 1.46 1.23 3mi9A1 LYS 24 HG3 -0.12 -0.03 0.13 -0.04 1.46 1.40 3mi9A1 LYS 24 HD2 -0.02 -0.11 0.02 -0.04 1.69 1.54 3mi9A1 LYS 24 HD3 -0.00 0.05 0.06 -0.04 1.68 1.75 3mi9A1 LYS 24 HE2 0.04 -0.08 0.04 -0.04 2.99 2.94 3mi9A1 LYS 24 HE3 0.02 0.09 0.01 -0.04 2.99 3.07 3mi9A1 ILE 25 H -0.04 0.59 0.27 -0.55 8.25 8.52 3mi9A1 ILE 25 HA 0.06 0.13 0.89 -0.75 4.18 4.51 3mi9A1 ILE 25 HB 0.04 -0.05 -0.01 -0.04 1.89 1.83 3mi9A1 ILE 25 HG12 0.15 0.08 -0.16 -0.04 1.49 1.52 3mi9A1 ILE 25 HG13 0.09 -0.08 -0.35 -0.04 1.21 0.83 3mi9A1 ILE 25 HG23 0.08 -0.00 -0.13 -0.04 0.93 0.84 3mi9A1 ILE 25 HD13 0.27 0.00 -0.20 -0.04 0.88 0.91 3mi9A1 GLY 26 H 0.03 0.15 0.08 -0.55 8.43 8.14 3mi9A1 GLY 26 HA2 0.01 0.04 0.31 -0.51 4.01 3.86 3mi9A1 GLY 26 HA3 -0.00 0.05 0.44 -0.51 4.01 4.00 3mi9A1 GLN 27 H -0.00 0.14 0.03 -0.55 8.47 8.09 3mi9A1 GLN 27 HA -0.00 0.22 0.83 -0.75 4.36 4.65 3mi9A1 GLN 27 HB2 0.00 -0.04 0.19 -0.04 2.15 2.26 3mi9A1 GLN 27 HB3 0.00 0.06 0.16 -0.04 2.02 2.20 3mi9A1 GLN 27 HG2 0.01 -0.09 -0.26 -0.04 2.40 2.02 3mi9A1 GLN 27 HG3 0.01 0.00 -0.02 -0.04 2.39 2.34 3mi9A1 GLN 27 HE21 0.02 -0.01 -0.03 -0.04 6.97 6.91 3mi9A1 GLN 27 HE22 0.02 -0.04 -0.12 -0.04 7.69 7.51 3mi9A1 GLY 28 H -0.03 0.20 -0.19 -0.55 8.43 7.87 3mi9A1 GLY 28 HA2 -0.02 0.14 0.65 -0.51 4.01 4.27 3mi9A1 GLY 28 HA3 -0.03 -0.09 0.38 -0.51 4.01 3.76 3mi9A1 THR 29 H -0.03 -0.01 0.09 -0.55 8.28 7.78 3mi9A1 THR 29 HA 0.03 0.27 0.76 -0.75 4.39 4.69 3mi9A1 THR 29 HB 0.05 -0.07 0.14 -0.04 4.32 4.40 3mi9A1 THR 29 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.15 3mi9A1 PHE 30 H 0.18 0.12 0.07 -0.55 8.34 8.16 3mi9A1 PHE 30 HA -0.00 0.11 0.33 -0.75 4.62 4.29 3mi9A1 PHE 30 HB2 0.01 0.03 0.13 -0.04 3.15 3.28 3mi9A1 PHE 30 HB3 0.02 -0.12 0.14 -0.04 3.06 3.06 3mi9A1 PHE 30 HD2 0.04 0.01 -0.05 -0.04 7.28 7.25 3mi9A1 PHE 30 HE2 0.07 0.01 -0.05 -0.04 7.38 7.37 3mi9A1 PHE 30 HZ 0.07 0.01 -0.04 -0.04 7.32 7.31 3mi9A1 GLY 31 H -0.06 0.11 -0.14 -0.55 8.43 7.79 3mi9A1 GLY 31 HA2 -0.48 0.26 0.81 -0.51 4.01 4.09 3mi9A1 GLY 31 HA3 -0.15 0.03 0.27 -0.51 4.01 3.64 3mi9A1 GLU 32 H -0.23 0.29 -0.29 -0.55 8.60 7.83 3mi9A1 GLU 32 HA -0.07 0.14 0.70 -0.75 4.29 4.31 3mi9A1 GLU 32 HB2 -0.06 -0.13 0.03 -0.04 2.09 1.89 3mi9A1 GLU 32 HB3 -0.09 0.01 0.17 -0.04 1.99 2.03 3mi9A1 GLU 32 HG2 -0.04 0.06 -0.15 -0.04 2.34 2.18 3mi9A1 GLU 32 HG3 -0.04 0.03 0.04 -0.04 2.34 2.34 3mi9A1 VAL 33 H -0.25 0.15 0.14 -0.55 8.24 7.74 3mi9A1 VAL 33 HA 0.00 0.48 1.17 -0.75 4.13 5.02 3mi9A1 VAL 33 HB -0.05 0.10 0.19 -0.04 2.12 2.32 3mi9A1 VAL 33 HG13 0.05 0.00 -0.13 -0.04 0.97 0.85 3mi9A1 VAL 33 HG23 -0.02 -0.03 -0.14 -0.04 0.95 0.72 3mi9A1 PHE 34 H 0.18 0.61 0.32 -0.55 8.34 8.89 3mi9A1 PHE 34 HA 0.01 0.23 1.21 -0.75 4.62 5.32 3mi9A1 PHE 34 HB2 -0.05 -0.10 0.00 -0.04 3.15 2.96 3mi9A1 PHE 34 HB3 -0.05 0.09 -0.04 -0.04 3.06 3.02 3mi9A1 PHE 34 HD2 0.00 0.03 -0.20 -0.04 7.28 7.07 3mi9A1 PHE 34 HE2 0.05 0.05 -0.14 -0.04 7.38 7.30 3mi9A1 PHE 34 HZ -0.15 -0.01 -0.08 -0.04 7.32 7.04 3mi9A1 LYS 35 H 0.11 0.82 0.38 -0.55 8.42 9.17 3mi9A1 LYS 35 HA -0.11 0.20 0.83 -0.75 4.32 4.48 3mi9A1 LYS 35 HB2 -0.12 0.01 0.03 -0.04 1.87 1.75 3mi9A1 LYS 35 HB3 -0.10 -0.08 0.15 -0.04 1.79 1.71 3mi9A1 LYS 35 HG2 -0.41 0.02 -0.05 -0.04 1.46 0.98 3mi9A1 LYS 35 HG3 -1.29 0.03 0.07 -0.04 1.46 0.22 3mi9A1 LYS 35 HD2 -0.32 0.01 -0.03 -0.04 1.69 1.31 3mi9A1 LYS 35 HD3 -0.20 -0.02 -0.06 -0.04 1.68 1.36 3mi9A1 LYS 35 HE2 -0.36 0.01 -0.04 -0.04 2.99 2.56 3mi9A1 LYS 35 HE3 -0.91 -0.02 -0.04 -0.04 2.99 1.97 3mi9A1 ALA 36 H -0.15 0.66 0.39 -0.55 8.40 8.75 3mi9A1 ALA 36 HA -0.07 0.15 0.72 -0.75 4.34 4.38 3mi9A1 ALA 36 HB3 -0.08 -0.03 -0.27 -0.04 1.41 0.99 3mi9A1 ARG 37 H 0.04 0.41 0.23 -0.55 8.46 8.58 3mi9A1 ARG 37 HA 0.10 0.35 0.74 -0.75 4.34 4.78 3mi9A1 ARG 37 HB2 0.05 0.07 -0.17 -0.04 1.90 1.80 3mi9A1 ARG 37 HB3 -0.00 -0.00 -0.23 -0.04 1.80 1.52 3mi9A1 ARG 37 HG2 0.00 -0.01 -0.00 -0.04 1.67 1.62 3mi9A1 ARG 37 HG3 0.02 0.02 -0.43 -0.04 1.67 1.23 3mi9A1 ARG 37 HD2 -0.01 -0.01 -0.10 -0.04 3.22 3.06 3mi9A1 ARG 37 HD3 -0.01 -0.01 -0.09 -0.04 3.22 3.07 3mi9A1 HIS 38 H 0.27 0.40 0.01 -0.55 8.41 8.54 3mi9A1 HIS 38 HA -0.18 0.19 0.57 -0.75 4.63 4.46 3mi9A1 HIS 38 HB2 0.15 0.18 0.13 -0.04 3.26 3.68 3mi9A1 HIS 38 HB3 0.02 -0.36 0.22 -0.04 3.20 3.03 3mi9A1 HIS 38 HD2 -0.29 0.06 -0.06 -0.04 6.97 6.64 3mi9A1 HIS 38 HE1 -0.10 0.08 0.02 -0.04 7.75 7.71 3mi9A1 ARG 39 H -0.46 0.68 0.38 -0.55 8.46 8.51 3mi9A1 ARG 39 HA -0.05 0.08 0.31 -0.75 4.34 3.92 3mi9A1 ARG 39 HB2 -0.22 -0.01 0.14 -0.04 1.90 1.76 3mi9A1 ARG 39 HB3 -0.09 -0.03 0.07 -0.04 1.80 1.71 3mi9A1 ARG 39 HG2 -0.09 -0.06 -0.05 -0.04 1.67 1.43 3mi9A1 ARG 39 HG3 -0.19 0.14 -0.08 -0.04 1.67 1.50 3mi9A1 ARG 39 HD2 -0.16 -0.03 -0.01 -0.04 3.22 2.97 3mi9A1 ARG 39 HD3 -0.09 -0.09 -0.03 -0.04 3.22 2.96 3mi9A1 LYS 40 H 0.25 -0.08 -0.30 -0.55 8.42 7.74 3mi9A1 LYS 40 HA 0.04 0.29 0.98 -0.75 4.32 4.88 3mi9A1 LYS 40 HB2 0.25 -0.07 0.06 -0.04 1.87 2.07 3mi9A1 LYS 40 HB3 0.06 0.04 0.00 -0.04 1.79 1.85 3mi9A1 LYS 40 HG2 0.01 0.08 -0.08 -0.04 1.46 1.42 3mi9A1 LYS 40 HG3 -0.02 -0.08 -0.20 -0.04 1.46 1.13 3mi9A1 LYS 40 HD2 0.09 -0.02 -0.01 -0.04 1.69 1.71 3mi9A1 LYS 40 HD3 0.03 0.02 -0.02 -0.04 1.68 1.66 3mi9A1 LYS 40 HE2 -0.02 0.02 -0.04 -0.04 2.99 2.91 3mi9A1 LYS 40 HE3 -0.06 -0.00 -0.03 -0.04 2.99 2.86 3mi9A1 THR 41 H 0.32 -0.07 0.03 -0.55 8.28 8.00 3mi9A1 THR 41 HA 0.00 0.25 0.74 -0.75 4.39 4.63 3mi9A1 THR 41 HB -0.05 0.06 0.06 -0.04 4.32 4.35 3mi9A1 THR 41 HG23 -0.17 0.01 -0.01 -0.04 1.22 1.01 3mi9A1 GLY 42 H 0.14 0.35 -0.02 -0.55 8.43 8.35 3mi9A1 GLY 42 HA2 0.06 0.12 0.23 -0.51 4.01 3.91 3mi9A1 GLY 42 HA3 0.04 0.14 0.50 -0.51 4.01 4.18 3mi9A1 GLN 43 H 0.10 -0.07 -0.25 -0.55 8.47 7.70 3mi9A1 GLN 43 HA 0.07 0.08 0.40 -0.75 4.36 4.15 3mi9A1 GLN 43 HB2 0.03 0.03 0.05 -0.04 2.15 2.22 3mi9A1 GLN 43 HB3 0.15 -0.13 0.11 -0.04 2.02 2.11 3mi9A1 GLN 43 HG2 0.12 0.12 -0.38 -0.04 2.40 2.22 3mi9A1 GLN 43 HG3 0.07 0.03 -0.01 -0.04 2.39 2.44 3mi9A1 GLN 43 HE21 0.04 0.02 -0.05 -0.04 6.97 6.94 3mi9A1 GLN 43 HE22 0.05 0.02 -0.02 -0.04 7.69 7.69 3mi9A1 LYS 44 H 0.07 0.11 0.28 -0.55 8.42 8.33 3mi9A1 LYS 44 HA 0.01 0.24 0.70 -0.75 4.32 4.51 3mi9A1 LYS 44 HB2 0.10 -0.06 0.26 -0.04 1.87 2.14 3mi9A1 LYS 44 HB3 0.12 -0.03 0.05 -0.04 1.79 1.90 3mi9A1 LYS 44 HG2 0.01 0.07 0.11 -0.04 1.46 1.61 3mi9A1 LYS 44 HG3 0.02 -0.04 0.06 -0.04 1.46 1.46 3mi9A1 LYS 44 HD2 -0.40 -0.04 0.05 -0.04 1.69 1.25 3mi9A1 LYS 44 HD3 -0.12 0.20 0.11 -0.04 1.68 1.83 3mi9A1 LYS 44 HE2 -0.16 -0.03 -0.08 -0.04 2.99 2.69 3mi9A1 LYS 44 HE3 -0.06 0.02 -0.03 -0.04 2.99 2.88 3mi9A1 VAL 45 H -0.03 0.66 0.41 -0.55 8.24 8.73 3mi9A1 VAL 45 HA 0.15 0.15 1.00 -0.75 4.13 4.67 3mi9A1 VAL 45 HB -0.07 0.06 0.04 -0.04 2.12 2.12 3mi9A1 VAL 45 HG13 0.07 0.04 -0.39 -0.04 0.97 0.65 3mi9A1 VAL 45 HG23 -0.40 -0.02 -0.41 -0.04 0.95 0.09 3mi9A1 ALA 46 H 0.17 0.52 0.22 -0.55 8.40 8.76 3mi9A1 ALA 46 HA 0.14 0.34 1.04 -0.75 4.34 5.10 3mi9A1 ALA 46 HB3 0.28 -0.02 -0.04 -0.04 1.41 1.60 3mi9A1 LEU 47 H 0.13 0.71 0.29 -0.55 8.37 8.95 3mi9A1 LEU 47 HA 0.12 0.21 0.84 -0.75 4.35 4.78 3mi9A1 LEU 47 HB2 0.19 -0.07 0.04 -0.04 1.64 1.76 3mi9A1 LEU 47 HB3 -0.06 -0.00 -0.12 -0.04 1.64 1.42 3mi9A1 LEU 47 HG -0.09 0.02 -0.24 -0.04 1.64 1.29 3mi9A1 LEU 47 HD13 -0.26 -0.01 -0.23 -0.04 0.93 0.40 3mi9A1 LEU 47 HD23 -0.38 0.00 -0.25 -0.04 0.89 0.22 3mi9A1 LYS 48 H 0.29 0.72 0.30 -0.55 8.42 9.18 3mi9A1 LYS 48 HA 0.18 0.34 1.17 -0.75 4.32 5.26 3mi9A1 LYS 48 HB2 0.21 -0.03 -0.09 -0.04 1.87 1.92 3mi9A1 LYS 48 HB3 0.41 -0.00 0.17 -0.04 1.79 2.33 3mi9A1 LYS 48 HG2 0.13 0.03 -0.20 -0.04 1.46 1.37 3mi9A1 LYS 48 HG3 0.08 0.04 -0.01 -0.04 1.46 1.53 3mi9A1 LYS 48 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.62 3mi9A1 LYS 48 HD3 0.26 -0.02 -0.03 -0.04 1.68 1.85 3mi9A1 LYS 48 HE2 0.15 0.01 -0.05 -0.04 2.99 3.06 3mi9A1 LYS 48 HE3 0.05 0.03 -0.03 -0.04 2.99 3.00 3mi9A1 LYS 49 H 0.12 0.62 0.28 -0.55 8.42 8.88 3mi9A1 LYS 49 HA -0.39 0.15 0.69 -0.75 4.32 4.01 3mi9A1 LYS 49 HB2 -0.27 0.01 0.10 -0.04 1.87 1.67 3mi9A1 LYS 49 HB3 -0.09 -0.04 0.23 -0.04 1.79 1.86 3mi9A1 LYS 49 HG2 -0.21 0.04 -0.42 -0.04 1.46 0.83 3mi9A1 LYS 49 HG3 -0.55 -0.03 0.04 -0.04 1.46 0.88 3mi9A1 LYS 49 HD2 -0.13 0.02 -0.00 -0.04 1.69 1.54 3mi9A1 LYS 49 HD3 -0.09 -0.06 -0.06 -0.04 1.68 1.42 3mi9A1 LYS 49 HE2 -0.10 -0.05 -0.04 -0.04 2.99 2.76 3mi9A1 LYS 49 HE3 -0.14 0.01 -0.01 -0.04 2.99 2.80 3mi9A1 VAL 50 H -0.18 0.66 0.39 -0.55 8.24 8.57 3mi9A1 VAL 50 HA -0.08 0.02 0.58 -0.75 4.13 3.90 3mi9A1 VAL 50 HB -0.10 -0.03 0.25 -0.04 2.12 2.20 3mi9A1 VAL 50 HG13 -0.50 -0.01 -0.11 -0.04 0.97 0.31 3mi9A1 VAL 50 HG23 0.09 0.01 -0.02 -0.04 0.95 0.99 3mi9A1 LEU 51 H -0.09 0.15 0.23 -0.55 8.37 8.11 3mi9A1 LEU 51 HA -0.09 0.07 0.56 -0.75 4.35 4.13 3mi9A1 LEU 51 HB2 -0.06 0.00 0.16 -0.04 1.64 1.70 3mi9A1 LEU 51 HB3 -0.05 -0.10 0.05 -0.04 1.64 1.50 3mi9A1 LEU 51 HG -0.05 0.19 0.09 -0.04 1.64 1.83 3mi9A1 LEU 51 HD13 -0.03 -0.02 0.03 -0.04 0.93 0.86 3mi9A1 LEU 51 HD23 -0.05 -0.01 -0.07 -0.04 0.89 0.71 3mi9A1 MET 52 H -0.07 0.16 0.09 -0.55 8.47 8.10 3mi9A1 MET 52 HA -0.10 0.19 0.73 -0.75 4.52 4.59 3mi9A1 MET 52 HB2 -0.07 0.04 0.06 -0.04 2.15 2.14 3mi9A1 MET 52 HB3 -0.07 0.02 0.07 -0.04 2.03 2.00 3mi9A1 MET 52 HG2 -0.25 0.05 -0.10 -0.04 2.63 2.29 3mi9A1 MET 52 HG3 -0.21 0.05 -0.58 -0.04 2.56 1.78 3mi9A1 MET 52 HE3 -0.03 0.02 0.01 -0.04 2.10 2.05 3mi9A1 GLU 53 H -0.04 0.09 -0.03 -0.55 8.60 8.08 3mi9A1 GLU 53 HA -0.01 0.11 0.44 -0.75 4.29 4.07 3mi9A1 GLU 53 HB2 -0.01 -0.04 0.10 -0.04 2.09 2.10 3mi9A1 GLU 53 HB3 -0.02 -0.01 0.05 -0.04 1.99 1.97 3mi9A1 GLU 53 HG2 -0.01 0.02 -0.08 -0.04 2.34 2.23 3mi9A1 GLU 53 HG3 -0.00 0.02 0.08 -0.04 2.34 2.40 3mi9A1 ASN 54 H -0.03 0.03 -0.19 -0.55 8.53 7.80 3mi9A1 ASN 54 HA -0.01 0.13 0.64 -0.75 4.76 4.76 3mi9A1 ASN 54 HB2 -0.02 -0.01 0.04 -0.04 2.88 2.85 3mi9A1 ASN 54 HB3 -0.03 -0.01 0.13 -0.04 2.79 2.84 3mi9A1 ASN 54 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.94 3mi9A1 ASN 54 HD22 -0.01 -0.00 -0.01 -0.04 7.74 7.67 3mi9A1 GLU 55 H -0.01 0.28 0.11 -0.55 8.60 8.43 3mi9A1 GLU 55 HA -0.01 0.14 0.90 -0.75 4.29 4.57 3mi9A1 GLU 55 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.17 3mi9A1 GLU 55 HB3 0.00 -0.03 -0.02 -0.04 1.99 1.90 3mi9A1 GLU 55 HG2 -0.01 -0.05 -0.05 -0.04 2.34 2.19 3mi9A1 GLU 55 HG3 -0.02 0.06 -0.57 -0.04 2.34 1.76 3mi9A1 LYS 56 H 0.00 0.14 -0.02 -0.55 8.42 7.98 3mi9A1 LYS 56 HA 0.01 0.14 0.55 -0.75 4.32 4.27 3mi9A1 LYS 56 HB2 0.00 0.06 -0.30 -0.04 1.87 1.59 3mi9A1 LYS 56 HB3 0.01 -0.12 0.07 -0.04 1.79 1.71 3mi9A1 LYS 56 HG2 0.01 0.05 0.09 -0.04 1.46 1.57 3mi9A1 LYS 56 HG3 0.01 -0.01 -0.01 -0.04 1.46 1.41 3mi9A1 LYS 56 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.61 3mi9A1 LYS 56 HD3 0.01 0.01 -0.33 -0.04 1.68 1.33 3mi9A1 LYS 56 HE2 0.01 -0.02 0.10 -0.04 2.99 3.04 3mi9A1 LYS 56 HE3 0.01 0.02 0.05 -0.04 2.99 3.02 3mi9A1 GLU 57 H 0.01 0.18 0.07 -0.55 8.60 8.31 3mi9A1 GLU 57 HA 0.02 0.14 0.50 -0.75 4.29 4.19 3mi9A1 GLU 57 HB2 0.01 0.01 0.09 -0.04 2.09 2.16 3mi9A1 GLU 57 HB3 0.02 0.03 0.19 -0.04 1.99 2.20 3mi9A1 GLU 57 HG2 0.01 -0.04 0.04 -0.04 2.34 2.31 3mi9A1 GLU 57 HG3 0.01 0.02 0.05 -0.04 2.34 2.38 3mi9A1 GLY 58 H 0.02 0.07 -0.90 -0.55 8.43 7.07 3mi9A1 GLY 58 HA2 0.05 0.02 0.22 -0.51 4.01 3.79 3mi9A1 GLY 58 HA3 0.07 0.05 0.34 -0.51 4.01 3.95 3mi9A1 PHE 59 H 0.21 0.08 0.13 -0.55 8.34 8.21 3mi9A1 PHE 59 HA -0.00 0.07 0.37 -0.75 4.62 4.30 3mi9A1 PHE 59 HB2 0.00 -0.02 0.14 -0.04 3.15 3.23 3mi9A1 PHE 59 HB3 0.01 -0.01 0.05 -0.04 3.06 3.06 3mi9A1 PHE 59 HD2 0.00 -0.00 -0.10 -0.04 7.28 7.14 3mi9A1 PHE 59 HE2 -0.00 -0.02 -0.11 -0.04 7.38 7.21 3mi9A1 PHE 59 HZ -0.00 -0.02 -0.06 -0.04 7.32 7.20 3mi9A1 PRO 60 HA -0.02 0.08 0.49 -0.51 4.44 4.47 3mi9A1 PRO 60 HB2 -0.16 -0.21 0.22 -0.04 2.28 2.08 3mi9A1 PRO 60 HB3 -0.09 0.05 0.18 -0.04 2.02 2.12 3mi9A1 PRO 60 HG2 -0.27 0.19 0.16 -0.04 2.03 2.07 3mi9A1 PRO 60 HG3 -0.15 0.15 0.18 -0.04 2.03 2.17 3mi9A1 PRO 60 HD2 -1.03 0.02 0.18 -0.04 3.68 2.81 3mi9A1 PRO 60 HD3 -0.43 0.16 0.23 -0.04 3.65 3.57 3mi9A1 ILE 61 H 0.03 0.24 0.25 -0.55 8.25 8.22 3mi9A1 ILE 61 HA 0.08 0.09 0.41 -0.75 4.18 4.02 3mi9A1 ILE 61 HB 0.04 0.07 0.18 -0.04 1.89 2.15 3mi9A1 ILE 61 HG12 0.04 0.00 0.00 -0.04 1.49 1.49 3mi9A1 ILE 61 HG13 0.05 -0.00 0.11 -0.04 1.21 1.33 3mi9A1 ILE 61 HG23 0.03 0.01 -0.02 -0.04 0.93 0.90 3mi9A1 ILE 61 HD13 0.03 0.01 0.02 -0.04 0.88 0.91 3mi9A1 THR 62 H 0.01 0.01 -0.35 -0.55 8.28 7.40 3mi9A1 THR 62 HA 0.03 0.17 0.45 -0.75 4.39 4.28 3mi9A1 THR 62 HB 0.00 -0.01 0.11 -0.04 4.32 4.38 3mi9A1 THR 62 HG23 -0.03 -0.03 0.01 -0.04 1.22 1.13 3mi9A1 ALA 63 H -0.01 0.17 -0.17 -0.55 8.40 7.84 3mi9A1 ALA 63 HA 0.05 0.05 0.53 -0.75 4.34 4.21 3mi9A1 ALA 63 HB3 -0.07 0.04 0.10 -0.04 1.41 1.44 3mi9A1 LEU 64 H 0.18 0.53 -0.08 -0.55 8.37 8.45 3mi9A1 LEU 64 HA 0.14 0.00 0.35 -0.75 4.35 4.09 3mi9A1 LEU 64 HB2 0.10 0.09 0.12 -0.04 1.64 1.91 3mi9A1 LEU 64 HB3 0.07 -0.02 0.02 -0.04 1.64 1.67 3mi9A1 LEU 64 HG 0.39 0.10 -0.12 -0.04 1.64 1.98 3mi9A1 LEU 64 HD13 0.11 -0.01 -0.06 -0.04 0.93 0.93 3mi9A1 LEU 64 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.77 3mi9A1 ARG 65 H 0.07 0.52 -0.29 -0.55 8.46 8.20 3mi9A1 ARG 65 HA 0.04 -0.01 0.40 -0.75 4.34 4.01 3mi9A1 ARG 65 HB2 0.05 0.13 0.17 -0.04 1.90 2.21 3mi9A1 ARG 65 HB3 0.05 0.09 -0.04 -0.04 1.80 1.86 3mi9A1 ARG 65 HG2 0.03 -0.10 0.07 -0.04 1.67 1.63 3mi9A1 ARG 65 HG3 0.04 0.10 0.10 -0.04 1.67 1.87 3mi9A1 ARG 65 HD2 0.03 -0.02 -0.00 -0.04 3.22 3.19 3mi9A1 ARG 65 HD3 0.03 0.16 0.11 -0.04 3.22 3.48 3mi9A1 GLU 66 H 0.08 0.40 -0.23 -0.55 8.60 8.29 3mi9A1 GLU 66 HA 0.12 0.10 0.35 -0.75 4.29 4.10 3mi9A1 GLU 66 HB2 0.09 0.17 0.12 -0.04 2.09 2.43 3mi9A1 GLU 66 HB3 0.11 0.04 0.11 -0.04 1.99 2.21 3mi9A1 GLU 66 HG2 0.20 -0.02 -0.20 -0.04 2.34 2.28 3mi9A1 GLU 66 HG3 0.19 -0.09 -0.60 -0.04 2.34 1.80 3mi9A1 ILE 67 H 0.09 0.64 -0.12 -0.55 8.25 8.31 3mi9A1 ILE 67 HA 0.03 -0.02 0.34 -0.75 4.18 3.78 3mi9A1 ILE 67 HB 0.06 0.08 0.12 -0.04 1.89 2.11 3mi9A1 ILE 67 HG12 0.06 -0.06 -0.03 -0.04 1.49 1.43 3mi9A1 ILE 67 HG13 0.12 0.06 0.04 -0.04 1.21 1.38 3mi9A1 ILE 67 HG23 -0.00 -0.01 -0.16 -0.04 0.93 0.72 3mi9A1 ILE 67 HD13 0.19 -0.03 -0.14 -0.04 0.88 0.86 3mi9A1 LYS 68 H 0.03 0.64 -0.12 -0.55 8.42 8.42 3mi9A1 LYS 68 HA -0.00 0.00 0.37 -0.75 4.32 3.93 3mi9A1 LYS 68 HB2 0.01 0.06 0.13 -0.04 1.87 2.03 3mi9A1 LYS 68 HB3 0.02 0.07 0.12 -0.04 1.79 1.96 3mi9A1 LYS 68 HG2 -0.01 0.01 -0.11 -0.04 1.46 1.32 3mi9A1 LYS 68 HG3 -0.01 -0.04 0.03 -0.04 1.46 1.40 3mi9A1 LYS 68 HD2 0.00 -0.02 -0.02 -0.04 1.69 1.61 3mi9A1 LYS 68 HD3 0.01 0.00 -0.02 -0.04 1.68 1.62 3mi9A1 LYS 68 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3mi9A1 LYS 68 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.90 3mi9A1 ILE 69 H 0.02 0.68 -0.16 -0.55 8.25 8.24 3mi9A1 ILE 69 HA -0.02 0.02 0.41 -0.75 4.18 3.83 3mi9A1 ILE 69 HB 0.04 0.11 0.13 -0.04 1.89 2.13 3mi9A1 ILE 69 HG12 0.02 -0.04 -0.09 -0.04 1.49 1.35 3mi9A1 ILE 69 HG13 0.03 0.03 0.02 -0.04 1.21 1.24 3mi9A1 ILE 69 HG23 -0.06 -0.03 -0.15 -0.04 0.93 0.66 3mi9A1 ILE 69 HD13 0.08 -0.04 -0.30 -0.04 0.88 0.58 3mi9A1 LEU 70 H -0.01 0.76 -0.08 -0.55 8.37 8.50 3mi9A1 LEU 70 HA -0.14 0.01 0.39 -0.75 4.35 3.86 3mi9A1 LEU 70 HB2 0.00 0.08 0.14 -0.04 1.64 1.82 3mi9A1 LEU 70 HB3 -0.01 -0.08 0.01 -0.04 1.64 1.52 3mi9A1 LEU 70 HG 0.09 0.11 0.03 -0.04 1.64 1.83 3mi9A1 LEU 70 HD13 0.20 -0.06 -0.16 -0.04 0.93 0.87 3mi9A1 LEU 70 HD23 0.16 -0.04 -0.03 -0.04 0.89 0.93 3mi9A1 GLN 71 H -0.02 0.52 -0.24 -0.55 8.47 8.18 3mi9A1 GLN 71 HA -0.02 0.04 0.41 -0.75 4.36 4.04 3mi9A1 GLN 71 HB2 -0.02 0.09 0.10 -0.04 2.15 2.28 3mi9A1 GLN 71 HB3 -0.02 -0.08 0.04 -0.04 2.02 1.92 3mi9A1 GLN 71 HG2 -0.03 -0.04 -0.03 -0.04 2.40 2.25 3mi9A1 GLN 71 HG3 -0.02 0.18 0.05 -0.04 2.39 2.55 3mi9A1 GLN 71 HE21 -0.03 -0.05 -0.05 -0.04 6.97 6.80 3mi9A1 GLN 71 HE22 -0.03 -0.00 -0.05 -0.04 7.69 7.56 3mi9A1 LEU 72 H -0.03 0.28 -0.38 -0.55 8.37 7.69 3mi9A1 LEU 72 HA -0.00 0.02 0.55 -0.75 4.35 4.17 3mi9A1 LEU 72 HB2 -0.02 -0.03 0.08 -0.04 1.64 1.63 3mi9A1 LEU 72 HB3 -0.03 0.07 0.19 -0.04 1.64 1.83 3mi9A1 LEU 72 HG -0.03 -0.03 -0.27 -0.04 1.64 1.27 3mi9A1 LEU 72 HD13 -0.02 -0.02 0.04 -0.04 0.93 0.88 3mi9A1 LEU 72 HD23 -0.06 -0.01 -0.01 -0.04 0.89 0.77 3mi9A1 LEU 73 H -0.04 0.60 0.03 -0.55 8.37 8.43 3mi9A1 LEU 73 HA 0.25 -0.02 0.52 -0.75 4.35 4.34 3mi9A1 LEU 73 HB2 -0.14 0.04 0.12 -0.04 1.64 1.62 3mi9A1 LEU 73 HB3 0.20 -0.11 -0.07 -0.04 1.64 1.61 3mi9A1 LEU 73 HG -0.09 0.17 0.07 -0.04 1.64 1.74 3mi9A1 LEU 73 HD13 -0.28 -0.04 -0.10 -0.04 0.93 0.47 3mi9A1 LEU 73 HD23 -0.14 -0.00 -0.12 -0.04 0.89 0.59 3mi9A1 LYS 74 H 0.30 0.21 0.13 -0.55 8.42 8.51 3mi9A1 LYS 74 HA 0.01 0.14 0.78 -0.75 4.32 4.49 3mi9A1 LYS 74 HB2 0.05 -0.02 0.14 -0.04 1.87 2.00 3mi9A1 LYS 74 HB3 -0.00 -0.08 0.02 -0.04 1.79 1.68 3mi9A1 LYS 74 HG2 0.04 0.15 -0.60 -0.04 1.46 1.01 3mi9A1 LYS 74 HG3 0.02 -0.07 -0.08 -0.04 1.46 1.28 3mi9A1 LYS 74 HD2 0.01 -0.16 0.01 -0.04 1.69 1.51 3mi9A1 LYS 74 HD3 0.01 0.39 0.13 -0.04 1.68 2.16 3mi9A1 LYS 74 HE2 -0.00 0.20 -0.06 -0.04 2.99 3.08 3mi9A1 LYS 74 HE3 -0.00 -0.11 -0.01 -0.04 2.99 2.83 3mi9A1 HIS 75 H -0.05 0.42 0.06 -0.55 8.41 8.30 3mi9A1 HIS 75 HA -0.29 0.08 0.60 -0.75 4.63 4.26 3mi9A1 HIS 75 HB2 -1.70 0.18 -0.22 -0.04 3.26 1.49 3mi9A1 HIS 75 HB3 -0.64 -0.00 -0.15 -0.04 3.20 2.36 3mi9A1 HIS 75 HD2 -0.31 0.07 0.04 -0.04 6.97 6.73 3mi9A1 HIS 75 HE1 -0.03 0.07 -0.13 -0.04 7.75 7.62 3mi9A1 GLU 76 H -0.65 0.16 0.12 -0.55 8.60 7.69 3mi9A1 GLU 76 HA -0.11 0.08 0.36 -0.75 4.29 3.87 3mi9A1 GLU 76 HB2 -0.43 -0.03 0.15 -0.04 2.09 1.74 3mi9A1 GLU 76 HB3 -0.15 0.05 -0.06 -0.04 1.99 1.79 3mi9A1 GLU 76 HG2 -0.13 -0.00 0.06 -0.04 2.34 2.22 3mi9A1 GLU 76 HG3 -0.14 0.01 0.03 -0.04 2.34 2.20 3mi9A1 ASN 77 H 0.62 -0.00 -0.37 -0.55 8.53 8.23 3mi9A1 ASN 77 HA 0.08 0.51 1.02 -0.75 4.76 5.62 3mi9A1 ASN 77 HB2 0.21 -0.07 0.03 -0.04 2.88 3.01 3mi9A1 ASN 77 HB3 0.09 -0.00 0.12 -0.04 2.79 2.95 3mi9A1 ASN 77 HD21 0.01 -0.08 -0.05 -0.04 7.03 6.87 3mi9A1 ASN 77 HD22 0.04 0.44 -0.00 -0.04 7.74 8.17 3mi9A1 VAL 78 H 0.12 0.66 -0.20 -0.55 8.24 8.27 3mi9A1 VAL 78 HA 0.17 0.05 0.94 -0.75 4.13 4.53 3mi9A1 VAL 78 HB 0.06 -0.01 -0.02 -0.04 2.12 2.10 3mi9A1 VAL 78 HG13 -0.03 0.07 -0.08 -0.04 0.97 0.89 3mi9A1 VAL 78 HG23 0.17 -0.05 -0.18 -0.04 0.95 0.85 3mi9A1 VAL 79 H 0.20 0.56 0.18 -0.55 8.24 8.63 3mi9A1 VAL 79 HA 0.09 -0.01 0.34 -0.75 4.13 3.79 3mi9A1 VAL 79 HB 0.09 0.10 0.07 -0.04 2.12 2.34 3mi9A1 VAL 79 HG13 0.25 -0.04 -0.02 -0.04 0.97 1.11 3mi9A1 VAL 79 HG23 -0.02 -0.02 -0.05 -0.04 0.95 0.82 3mi9A1 ASN 80 H 0.14 0.07 0.17 -0.55 8.53 8.37 3mi9A1 ASN 80 HA 0.09 0.36 1.14 -0.75 4.76 5.59 3mi9A1 ASN 80 HB2 0.05 0.09 0.04 -0.04 2.88 3.02 3mi9A1 ASN 80 HB3 0.08 -0.15 0.18 -0.04 2.79 2.86 3mi9A1 ASN 80 HD21 0.02 0.06 -0.21 -0.04 7.03 6.86 3mi9A1 ASN 80 HD22 0.05 -0.16 -0.14 -0.04 7.74 7.45 3mi9A1 LEU 81 H 0.04 0.37 0.13 -0.55 8.37 8.36 3mi9A1 LEU 81 HA -0.33 0.07 0.71 -0.75 4.35 4.05 3mi9A1 LEU 81 HB2 -0.20 -0.06 -0.00 -0.04 1.64 1.34 3mi9A1 LEU 81 HB3 -0.08 0.13 0.04 -0.04 1.64 1.69 3mi9A1 LEU 81 HG -0.16 0.00 -0.36 -0.04 1.64 1.08 3mi9A1 LEU 81 HD13 -0.64 0.07 -0.00 -0.04 0.93 0.32 3mi9A1 LEU 81 HD23 -0.10 -0.01 -0.12 -0.04 0.89 0.63 3mi9A1 ILE 82 H -0.11 0.53 0.37 -0.55 8.25 8.50 3mi9A1 ILE 82 HA -0.00 0.10 0.54 -0.75 4.18 4.06 3mi9A1 ILE 82 HB 0.02 -0.04 0.02 -0.04 1.89 1.85 3mi9A1 ILE 82 HG12 0.04 0.00 -0.09 -0.04 1.49 1.40 3mi9A1 ILE 82 HG13 0.03 0.04 -0.07 -0.04 1.21 1.18 3mi9A1 ILE 82 HG23 0.08 -0.02 -0.14 -0.04 0.93 0.81 3mi9A1 ILE 82 HD13 0.08 -0.02 -0.25 -0.04 0.88 0.65 3mi9A1 GLU 83 H -0.07 0.33 0.25 -0.55 8.60 8.56 3mi9A1 GLU 83 HA -0.01 0.18 0.51 -0.75 4.29 4.21 3mi9A1 GLU 83 HB2 0.05 0.01 0.08 -0.04 2.09 2.19 3mi9A1 GLU 83 HB3 0.05 0.16 -0.28 -0.04 1.99 1.88 3mi9A1 GLU 83 HG2 0.10 -0.10 -0.21 -0.04 2.34 2.09 3mi9A1 GLU 83 HG3 0.10 -0.02 -0.47 -0.04 2.34 1.90 3mi9A1 ILE 84 H 0.02 0.30 0.18 -0.55 8.25 8.20 3mi9A1 ILE 84 HA 0.02 0.22 1.08 -0.75 4.18 4.75 3mi9A1 ILE 84 HB 0.02 0.01 0.16 -0.04 1.89 2.04 3mi9A1 ILE 84 HG12 -0.02 0.00 -0.03 -0.04 1.49 1.40 3mi9A1 ILE 84 HG13 -0.03 -0.03 -0.23 -0.04 1.21 0.87 3mi9A1 ILE 84 HG23 0.06 0.00 -0.12 -0.04 0.93 0.82 3mi9A1 ILE 84 HD13 0.01 0.00 -0.06 -0.04 0.88 0.79 3mi9A1 CYS 85 H 0.11 0.55 0.26 -0.55 8.50 8.87 3mi9A1 CYS 85 HA 0.09 0.26 0.92 -0.75 4.58 5.10 3mi9A1 CYS 85 HB2 0.13 -0.08 -0.08 -0.04 2.97 2.90 3mi9A1 CYS 85 HB3 0.11 -0.01 -0.03 -0.04 2.97 2.99 3mi9A1 ARG 86 H 0.09 0.57 0.32 -0.55 8.46 8.89 3mi9A1 ARG 86 HA 0.17 0.26 0.99 -0.75 4.34 5.01 3mi9A1 ARG 86 HB2 0.07 0.06 -0.01 -0.04 1.90 1.99 3mi9A1 ARG 86 HB3 0.07 0.03 -0.19 -0.04 1.80 1.67 3mi9A1 ARG 86 HG2 0.05 0.17 -0.23 -0.04 1.67 1.62 3mi9A1 ARG 86 HG3 0.05 -0.20 -0.35 -0.04 1.67 1.13 3mi9A1 ARG 86 HD2 0.03 -0.02 -0.15 -0.04 3.22 3.04 3mi9A1 ARG 86 HD3 0.03 0.02 -0.08 -0.04 3.22 3.15 3mi9A1 THR 87 H 0.12 0.60 0.23 -0.55 8.28 8.68 3mi9A1 THR 87 HA 0.06 0.01 0.87 -0.75 4.39 4.58 3mi9A1 THR 87 HB 0.08 0.10 -0.00 -0.04 4.32 4.46 3mi9A1 THR 87 HG23 0.24 -0.00 -0.14 -0.04 1.22 1.27 3mi9A1 LYS 88 H 0.03 0.08 0.02 -0.55 8.42 8.00 3mi9A1 LYS 88 HA 0.03 0.14 0.21 -0.75 4.32 3.94 3mi9A1 LYS 88 HB2 0.01 0.07 0.09 -0.04 1.87 2.00 3mi9A1 LYS 88 HB3 0.01 0.04 0.08 -0.04 1.79 1.88 3mi9A1 LYS 88 HG2 0.01 -0.08 0.12 -0.04 1.46 1.46 3mi9A1 LYS 88 HG3 0.01 0.02 0.04 -0.04 1.46 1.49 3mi9A1 LYS 88 HD2 0.00 0.04 0.03 -0.04 1.69 1.73 3mi9A1 LYS 88 HD3 -0.00 0.01 0.04 -0.04 1.68 1.69 3mi9A1 LYS 88 HE2 -0.01 -0.04 0.03 -0.04 2.99 2.94 3mi9A1 LYS 88 HE3 -0.00 0.00 0.02 -0.04 2.99 2.97 3mi9A1 GLY 97 HA2 0.04 -0.01 -0.46 -0.51 4.01 3.07 3mi9A1 GLY 97 HA3 0.03 -0.04 0.42 -0.51 4.01 3.91 3mi9A1 SER 98 H 0.06 0.14 0.12 -0.55 8.46 8.23 3mi9A1 SER 98 HA -0.04 0.27 1.03 -0.75 4.49 5.00 3mi9A1 SER 98 HB2 0.02 -0.09 -0.04 -0.04 3.95 3.81 3mi9A1 SER 98 HB3 -0.34 0.01 0.04 -0.04 3.93 3.60 3mi9A1 ILE 99 H -0.13 0.25 0.24 -0.55 8.25 8.07 3mi9A1 ILE 99 HA 0.09 0.29 1.01 -0.75 4.18 4.81 3mi9A1 ILE 99 HB 0.15 -0.04 0.14 -0.04 1.89 2.09 3mi9A1 ILE 99 HG12 0.14 -0.03 -0.29 -0.04 1.49 1.26 3mi9A1 ILE 99 HG13 0.28 -0.01 -0.07 -0.04 1.21 1.37 3mi9A1 ILE 99 HG23 0.19 0.01 -0.11 -0.04 0.93 0.98 3mi9A1 ILE 99 HD13 0.08 0.05 -0.05 -0.04 0.88 0.92 3mi9A1 TYR 100 H 0.21 0.84 0.26 -0.55 8.29 9.05 3mi9A1 TYR 100 HA 0.07 0.25 1.01 -0.75 4.56 5.14 3mi9A1 TYR 100 HB2 0.05 -0.06 -0.12 -0.04 3.06 2.88 3mi9A1 TYR 100 HB3 0.05 0.01 -0.25 -0.04 2.98 2.75 3mi9A1 TYR 100 HD2 0.09 -0.03 -0.47 -0.04 7.15 6.69 3mi9A1 TYR 100 HE2 0.16 0.03 -0.21 -0.04 6.85 6.79 3mi9A1 LEU 101 H 0.16 0.72 0.31 -0.55 8.37 9.01 3mi9A1 LEU 101 HA -0.05 0.14 0.81 -0.75 4.35 4.49 3mi9A1 LEU 101 HB2 0.16 0.07 0.24 -0.04 1.64 2.07 3mi9A1 LEU 101 HB3 -0.34 0.01 -0.01 -0.04 1.64 1.25 3mi9A1 LEU 101 HG -0.05 0.05 0.00 -0.04 1.64 1.60 3mi9A1 LEU 101 HD13 0.10 -0.00 -0.11 -0.04 0.93 0.88 3mi9A1 LEU 101 HD23 0.16 -0.01 -0.06 -0.04 0.89 0.95 3mi9A1 VAL 102 H -0.16 0.68 0.37 -0.55 8.24 8.59 3mi9A1 VAL 102 HA -0.04 0.22 0.98 -0.75 4.13 4.54 3mi9A1 VAL 102 HB -0.06 -0.08 0.12 -0.04 2.12 2.05 3mi9A1 VAL 102 HG13 -0.29 -0.00 -0.22 -0.04 0.97 0.42 3mi9A1 VAL 102 HG23 -0.05 0.00 -0.22 -0.04 0.95 0.64 3mi9A1 PHE 103 H 0.21 0.63 0.34 -0.55 8.34 8.97 3mi9A1 PHE 103 HA 0.03 0.23 1.19 -0.75 4.62 5.32 3mi9A1 PHE 103 HB2 0.06 -0.06 0.01 -0.04 3.15 3.12 3mi9A1 PHE 103 HB3 0.05 0.12 0.02 -0.04 3.06 3.20 3mi9A1 PHE 103 HD2 0.05 0.11 -0.27 -0.04 7.28 7.13 3mi9A1 PHE 103 HE2 0.07 0.02 -0.12 -0.04 7.38 7.31 3mi9A1 PHE 103 HZ 0.08 -0.04 -0.09 -0.04 7.32 7.23 3mi9A1 ASP 104 H 0.20 0.52 0.31 -0.55 8.40 8.88 3mi9A1 ASP 104 HA 0.13 0.11 0.63 -0.75 4.63 4.74 3mi9A1 ASP 104 HB2 0.10 -0.04 0.23 -0.04 2.71 2.96 3mi9A1 ASP 104 HB3 0.08 0.03 0.01 -0.04 2.70 2.79 3mi9A1 PHE 105 H 0.24 0.43 0.19 -0.55 8.34 8.64 3mi9A1 PHE 105 HA 0.03 0.06 0.43 -0.75 4.62 4.38 3mi9A1 PHE 105 HB2 0.02 -0.05 -0.40 -0.04 3.15 2.68 3mi9A1 PHE 105 HB3 0.02 -0.01 -0.17 -0.04 3.06 2.86 3mi9A1 PHE 105 HD2 -0.00 -0.05 -0.21 -0.04 7.28 6.98 3mi9A1 PHE 105 HE2 -0.04 -0.04 -0.11 -0.04 7.38 7.15 3mi9A1 PHE 105 HZ -0.05 0.03 -0.05 -0.04 7.32 7.21 3mi9A1 CYS 106 H -0.65 0.24 0.08 -0.55 8.50 7.63 3mi9A1 CYS 106 HA -0.28 0.03 0.80 -0.75 4.58 4.37 3mi9A1 CYS 106 HB2 -0.27 0.02 -0.03 -0.04 2.97 2.65 3mi9A1 CYS 106 HB3 -0.17 -0.00 -0.26 -0.04 2.97 2.50 3mi9A1 GLU 107 H -0.31 -0.02 0.18 -0.55 8.60 7.90 3mi9A1 GLU 107 HA -0.51 0.08 0.38 -0.75 4.29 3.48 3mi9A1 GLU 107 HB2 -0.15 -0.06 0.13 -0.04 2.09 1.97 3mi9A1 GLU 107 HB3 -0.45 0.00 0.10 -0.04 1.99 1.60 3mi9A1 GLU 107 HG2 -0.45 0.03 -0.02 -0.04 2.34 1.86 3mi9A1 GLU 107 HG3 -1.06 0.04 -0.18 -0.04 2.34 1.10 3mi9A1 HIS 108 H -0.11 0.51 0.06 -0.55 8.41 8.32 3mi9A1 HIS 108 HA -0.09 0.26 1.20 -0.75 4.63 5.25 3mi9A1 HIS 108 HB2 -0.08 -0.04 -0.10 -0.04 3.26 3.00 3mi9A1 HIS 108 HB3 -0.07 0.03 0.01 -0.04 3.20 3.12 3mi9A1 HIS 108 HD2 -0.42 0.02 -0.10 -0.04 6.97 6.44 3mi9A1 HIS 108 HE1 -0.15 -0.00 -0.10 -0.04 7.75 7.45 3mi9A1 ASP 109 H 0.05 0.16 0.20 -0.55 8.40 8.26 3mi9A1 ASP 109 HA -0.02 0.30 0.93 -0.75 4.63 5.09 3mi9A1 ASP 109 HB2 -0.03 0.11 0.15 -0.04 2.71 2.90 3mi9A1 ASP 109 HB3 -0.04 0.07 0.01 -0.04 2.70 2.70 3mi9A1 LEU 110 H -0.02 0.77 0.32 -0.55 8.37 8.88 3mi9A1 LEU 110 HA 0.02 0.06 0.38 -0.75 4.35 4.06 3mi9A1 LEU 110 HB2 -0.04 0.09 0.09 -0.04 1.64 1.74 3mi9A1 LEU 110 HB3 -0.05 0.10 0.20 -0.04 1.64 1.85 3mi9A1 LEU 110 HG -0.09 -0.03 -0.19 -0.04 1.64 1.28 3mi9A1 LEU 110 HD13 -0.13 0.00 -0.07 -0.04 0.93 0.68 3mi9A1 LEU 110 HD23 -0.10 -0.00 -0.10 -0.04 0.89 0.65 3mi9A1 ALA 111 H -0.01 0.25 -0.42 -0.55 8.40 7.67 3mi9A1 ALA 111 HA 0.03 0.10 0.26 -0.75 4.34 3.97 3mi9A1 ALA 111 HB3 0.02 -0.03 -0.12 -0.04 1.41 1.23 3mi9A1 GLY 112 H 0.03 0.08 -0.40 -0.55 8.43 7.59 3mi9A1 GLY 112 HA2 0.05 0.07 0.43 -0.51 4.01 4.06 3mi9A1 GLY 112 HA3 0.07 0.02 0.26 -0.51 4.01 3.84 3mi9A1 LEU 113 H 0.08 0.35 -0.09 -0.55 8.37 8.16 3mi9A1 LEU 113 HA 0.13 0.06 0.46 -0.75 4.35 4.25 3mi9A1 LEU 113 HB2 0.13 0.02 0.07 -0.04 1.64 1.81 3mi9A1 LEU 113 HB3 0.26 0.04 -0.09 -0.04 1.64 1.80 3mi9A1 LEU 113 HG 0.03 -0.03 -0.04 -0.04 1.64 1.55 3mi9A1 LEU 113 HD13 -0.08 -0.02 -0.18 -0.04 0.93 0.61 3mi9A1 LEU 113 HD23 -0.15 0.01 -0.05 -0.04 0.89 0.65 3mi9A1 LEU 114 H 0.06 0.44 -0.27 -0.55 8.37 8.06 3mi9A1 LEU 114 HA 0.11 0.15 0.35 -0.75 4.35 4.21 3mi9A1 LEU 114 HB2 0.00 -0.05 -0.04 -0.04 1.64 1.51 3mi9A1 LEU 114 HB3 -0.03 0.04 -0.11 -0.04 1.64 1.50 3mi9A1 LEU 114 HG -0.09 0.06 -0.07 -0.04 1.64 1.50 3mi9A1 LEU 114 HD13 -0.11 -0.04 -0.29 -0.04 0.93 0.44 3mi9A1 LEU 114 HD23 -0.38 0.03 -0.13 -0.04 0.89 0.37 3mi9A1 SER 115 H 0.05 0.32 -0.16 -0.55 8.46 8.12 3mi9A1 SER 115 HA 0.03 0.15 0.48 -0.75 4.49 4.41 3mi9A1 SER 115 HB2 0.04 0.01 0.16 -0.04 3.95 4.12 3mi9A1 SER 115 HB3 0.03 -0.09 0.01 -0.04 3.93 3.84 3mi9A1 ASN 116 H 0.05 0.37 -0.35 -0.55 8.53 8.06 3mi9A1 ASN 116 HA -0.03 -0.02 0.53 -0.75 4.76 4.49 3mi9A1 ASN 116 HB2 0.00 -0.04 0.13 -0.04 2.88 2.93 3mi9A1 ASN 116 HB3 0.06 0.15 0.24 -0.04 2.79 3.20 3mi9A1 ASN 116 HD21 -0.16 -0.02 0.03 -0.04 7.03 6.84 3mi9A1 ASN 116 HD22 0.02 0.02 0.05 -0.04 7.74 7.78 3mi9A1 VAL 117 H 0.01 0.43 0.23 -0.55 8.24 8.36 3mi9A1 VAL 117 HA 0.05 0.20 0.31 -0.75 4.13 3.95 3mi9A1 VAL 117 HB 0.01 -0.11 0.09 -0.04 2.12 2.07 3mi9A1 VAL 117 HG13 0.04 -0.01 0.08 -0.04 0.97 1.04 3mi9A1 VAL 117 HG23 0.03 0.08 0.12 -0.04 0.95 1.14 3mi9A1 LEU 118 H -0.03 -0.06 -0.78 -0.55 8.37 6.96 3mi9A1 LEU 118 HA 0.03 0.10 0.62 -0.75 4.35 4.35 3mi9A1 LEU 118 HB2 -0.10 -0.06 0.02 -0.04 1.64 1.46 3mi9A1 LEU 118 HB3 0.18 0.05 0.06 -0.04 1.64 1.89 3mi9A1 LEU 118 HG -0.09 -0.07 -0.07 -0.04 1.64 1.37 3mi9A1 LEU 118 HD13 -0.19 -0.02 -0.04 -0.04 0.93 0.64 3mi9A1 LEU 118 HD23 0.03 0.04 -0.03 -0.04 0.89 0.89 3mi9A1 VAL 119 H 0.04 0.60 0.04 -0.55 8.24 8.37 3mi9A1 VAL 119 HA 0.00 0.04 0.43 -0.75 4.13 3.85 3mi9A1 VAL 119 HB 0.05 0.28 0.12 -0.04 2.12 2.53 3mi9A1 VAL 119 HG13 -0.27 -0.03 -0.16 -0.04 0.97 0.47 3mi9A1 VAL 119 HG23 0.12 -0.05 0.01 -0.04 0.95 0.99 3mi9A1 LYS 120 H -0.13 0.09 0.17 -0.55 8.42 7.99 3mi9A1 LYS 120 HA 0.01 0.28 0.92 -0.75 4.32 4.78 3mi9A1 LYS 120 HB2 -0.06 -0.11 0.04 -0.04 1.87 1.70 3mi9A1 LYS 120 HB3 -0.01 -0.04 -0.05 -0.04 1.79 1.65 3mi9A1 LYS 120 HG2 -0.01 0.17 -0.11 -0.04 1.46 1.47 3mi9A1 LYS 120 HG3 -0.00 -0.07 -0.03 -0.04 1.46 1.31 3mi9A1 LYS 120 HD2 0.03 -0.10 -0.04 -0.04 1.69 1.54 3mi9A1 LYS 120 HD3 0.03 0.19 -0.26 -0.04 1.68 1.60 3mi9A1 LYS 120 HE2 0.03 0.20 -0.11 -0.04 2.99 3.07 3mi9A1 LYS 120 HE3 0.02 -0.13 -0.02 -0.04 2.99 2.82 3mi9A1 PHE 121 H 0.13 0.32 0.12 -0.55 8.34 8.36 3mi9A1 PHE 121 HA -0.06 0.04 0.95 -0.75 4.62 4.79 3mi9A1 PHE 121 HB2 -0.14 0.16 0.11 -0.04 3.15 3.24 3mi9A1 PHE 121 HB3 -0.17 -0.04 -0.06 -0.04 3.06 2.75 3mi9A1 PHE 121 HD2 -0.10 0.02 -0.17 -0.04 7.28 7.00 3mi9A1 PHE 121 HE2 -0.08 0.04 -0.24 -0.04 7.38 7.07 3mi9A1 PHE 121 HZ -0.09 -0.07 -0.18 -0.04 7.32 6.94 3mi9A1 THR 122 H 0.03 0.05 0.14 -0.55 8.28 7.94 3mi9A1 THR 122 HA 0.06 0.24 0.67 -0.75 4.39 4.60 3mi9A1 THR 122 HB 0.03 0.01 0.16 -0.04 4.32 4.48 3mi9A1 THR 122 HG23 -0.00 0.04 0.02 -0.04 1.22 1.24 3mi9A1 LEU 123 H 0.10 0.23 0.20 -0.55 8.37 8.35 3mi9A1 LEU 123 HA 0.19 0.15 0.39 -0.75 4.35 4.32 3mi9A1 LEU 123 HB2 0.22 0.10 0.20 -0.04 1.64 2.11 3mi9A1 LEU 123 HB3 0.11 -0.06 0.18 -0.04 1.64 1.82 3mi9A1 LEU 123 HG 0.10 0.08 -0.15 -0.04 1.64 1.63 3mi9A1 LEU 123 HD13 0.54 -0.01 0.08 -0.04 0.93 1.51 3mi9A1 LEU 123 HD23 0.15 0.00 0.08 -0.04 0.89 1.09 3mi9A1 SER 124 H 0.03 0.03 -0.25 -0.55 8.46 7.72 3mi9A1 SER 124 HA -0.06 0.23 0.25 -0.75 4.49 4.16 3mi9A1 SER 124 HB2 -0.01 0.01 0.02 -0.04 3.95 3.92 3mi9A1 SER 124 HB3 -0.00 -0.12 0.03 -0.04 3.93 3.80 3mi9A1 GLU 125 H 0.03 0.11 -0.21 -0.55 8.60 7.98 3mi9A1 GLU 125 HA 0.02 0.17 0.50 -0.75 4.29 4.23 3mi9A1 GLU 125 HB2 0.11 0.08 0.16 -0.04 2.09 2.40 3mi9A1 GLU 125 HB3 0.08 0.02 0.06 -0.04 1.99 2.10 3mi9A1 GLU 125 HG2 -0.01 0.28 0.09 -0.04 2.34 2.65 3mi9A1 GLU 125 HG3 0.00 -0.10 0.08 -0.04 2.34 2.29 3mi9A1 ILE 126 H 0.02 0.55 -0.16 -0.55 8.25 8.11 3mi9A1 ILE 126 HA -0.14 0.02 0.39 -0.75 4.18 3.69 3mi9A1 ILE 126 HB -0.07 0.14 0.12 -0.04 1.89 2.04 3mi9A1 ILE 126 HG12 -0.57 -0.01 -0.03 -0.04 1.49 0.83 3mi9A1 ILE 126 HG13 -0.09 -0.01 -0.12 -0.04 1.21 0.94 3mi9A1 ILE 126 HG23 -0.66 -0.01 -0.11 -0.04 0.93 0.11 3mi9A1 ILE 126 HD13 -0.83 0.02 -0.13 -0.04 0.88 -0.11 3mi9A1 LYS 127 H -0.01 0.49 -0.27 -0.55 8.42 8.07 3mi9A1 LYS 127 HA 0.02 -0.02 0.31 -0.75 4.32 3.88 3mi9A1 LYS 127 HB2 -0.17 0.16 0.16 -0.04 1.87 1.98 3mi9A1 LYS 127 HB3 -0.30 -0.02 0.01 -0.04 1.79 1.44 3mi9A1 LYS 127 HG2 -2.00 -0.11 -0.04 -0.04 1.46 -0.73 3mi9A1 LYS 127 HG3 -0.33 0.15 0.05 -0.04 1.46 1.29 3mi9A1 LYS 127 HD2 -0.29 0.00 -0.09 -0.04 1.69 1.27 3mi9A1 LYS 127 HD3 -0.58 -0.00 0.07 -0.04 1.68 1.12 3mi9A1 LYS 127 HE2 -1.47 -0.19 0.02 -0.04 2.99 1.32 3mi9A1 LYS 127 HE3 -0.24 -0.20 -0.03 -0.04 2.99 2.49 3mi9A1 ARG 128 H -0.00 0.40 -0.10 -0.55 8.46 8.20 3mi9A1 ARG 128 HA 0.02 -0.01 0.41 -0.75 4.34 4.01 3mi9A1 ARG 128 HB2 -0.02 0.01 0.26 -0.04 1.90 2.11 3mi9A1 ARG 128 HB3 0.01 0.07 0.19 -0.04 1.80 2.03 3mi9A1 ARG 128 HG2 -0.01 -0.02 0.04 -0.04 1.67 1.64 3mi9A1 ARG 128 HG3 -0.00 -0.07 -0.08 -0.04 1.67 1.48 3mi9A1 ARG 128 HD2 -0.03 -0.05 0.08 -0.04 3.22 3.17 3mi9A1 ARG 128 HD3 -0.04 0.01 -0.11 -0.04 3.22 3.04 3mi9A1 VAL 129 H 0.04 0.57 -0.24 -0.55 8.24 8.05 3mi9A1 VAL 129 HA 0.02 -0.03 0.44 -0.75 4.13 3.81 3mi9A1 VAL 129 HB -0.07 0.16 0.19 -0.04 2.12 2.36 3mi9A1 VAL 129 HG13 -0.08 -0.03 -0.18 -0.04 0.97 0.64 3mi9A1 VAL 129 HG23 0.05 0.04 -0.03 -0.04 0.95 0.98 3mi9A1 MET 130 H 0.12 0.70 0.01 -0.55 8.47 8.75 3mi9A1 MET 130 HA 0.09 -0.03 0.42 -0.75 4.52 4.25 3mi9A1 MET 130 HB2 0.47 0.14 0.09 -0.04 2.15 2.80 3mi9A1 MET 130 HB3 0.41 -0.06 -0.02 -0.04 2.03 2.31 3mi9A1 MET 130 HG2 0.02 0.11 0.02 -0.04 2.63 2.75 3mi9A1 MET 130 HG3 0.07 -0.02 -0.03 -0.04 2.56 2.54 3mi9A1 MET 130 HE3 0.05 0.02 -0.01 -0.04 2.10 2.12 3mi9A1 GLN 131 H 0.27 0.63 -0.21 -0.55 8.47 8.61 3mi9A1 GLN 131 HA -0.55 0.02 0.42 -0.75 4.36 3.49 3mi9A1 GLN 131 HB2 -0.07 0.11 0.10 -0.04 2.15 2.26 3mi9A1 GLN 131 HB3 -0.06 0.08 0.16 -0.04 2.02 2.17 3mi9A1 GLN 131 HG2 -0.19 -0.07 -0.14 -0.04 2.40 1.96 3mi9A1 GLN 131 HG3 -0.54 -0.00 0.06 -0.04 2.39 1.86 3mi9A1 GLN 131 HE21 -0.45 0.03 0.04 -0.04 6.97 6.54 3mi9A1 GLN 131 HE22 -0.52 0.04 0.04 -0.04 7.69 7.22 3mi9A1 MET 132 H 0.00 0.59 -0.09 -0.55 8.47 8.43 3mi9A1 MET 132 HA 0.00 -0.00 0.43 -0.75 4.52 4.19 3mi9A1 MET 132 HB2 0.01 0.13 0.21 -0.04 2.15 2.45 3mi9A1 MET 132 HB3 0.02 -0.02 0.07 -0.04 2.03 2.06 3mi9A1 MET 132 HG2 -0.01 -0.06 0.07 -0.04 2.63 2.59 3mi9A1 MET 132 HG3 -0.01 0.30 0.17 -0.04 2.56 2.98 3mi9A1 MET 132 HE3 0.00 0.05 -0.03 -0.04 2.10 2.09 3mi9A1 LEU 133 H 0.01 0.55 -0.14 -0.55 8.37 8.25 3mi9A1 LEU 133 HA 0.00 0.01 0.36 -0.75 4.35 3.97 3mi9A1 LEU 133 HB2 -0.01 0.05 0.06 -0.04 1.64 1.70 3mi9A1 LEU 133 HB3 0.02 0.14 0.15 -0.04 1.64 1.91 3mi9A1 LEU 133 HG -0.01 -0.01 -0.18 -0.04 1.64 1.40 3mi9A1 LEU 133 HD13 -0.06 -0.03 -0.02 -0.04 0.93 0.77 3mi9A1 LEU 133 HD23 -0.04 -0.00 -0.08 -0.04 0.89 0.72 3mi9A1 LEU 134 H 0.01 0.74 -0.11 -0.55 8.37 8.46 3mi9A1 LEU 134 HA 0.04 -0.05 0.45 -0.75 4.35 4.03 3mi9A1 LEU 134 HB2 -0.08 0.17 0.11 -0.04 1.64 1.79 3mi9A1 LEU 134 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 3mi9A1 LEU 134 HG 0.09 0.10 0.04 -0.04 1.64 1.83 3mi9A1 LEU 134 HD13 0.22 -0.01 -0.19 -0.04 0.93 0.91 3mi9A1 LEU 134 HD23 0.08 -0.04 -0.06 -0.04 0.89 0.84 3mi9A1 ASN 135 H -0.02 0.58 -0.24 -0.55 8.53 8.30 3mi9A1 ASN 135 HA 0.04 -0.01 0.50 -0.75 4.76 4.54 3mi9A1 ASN 135 HB2 -0.02 0.19 0.14 -0.04 2.88 3.15 3mi9A1 ASN 135 HB3 0.08 0.07 0.11 -0.04 2.79 3.01 3mi9A1 ASN 135 HD21 0.16 -0.03 -0.01 -0.04 7.03 7.11 3mi9A1 ASN 135 HD22 0.15 0.01 -0.03 -0.04 7.74 7.84 3mi9A1 GLY 136 H 0.03 0.61 -0.16 -0.55 8.43 8.36 3mi9A1 GLY 136 HA2 -0.16 -0.05 0.39 -0.51 4.01 3.68 3mi9A1 GLY 136 HA3 0.02 0.16 0.32 -0.51 4.01 3.99 3mi9A1 LEU 137 H -0.00 0.54 -0.12 -0.55 8.37 8.24 3mi9A1 LEU 137 HA -0.20 0.01 0.42 -0.75 4.35 3.84 3mi9A1 LEU 137 HB2 0.00 0.10 0.14 -0.04 1.64 1.83 3mi9A1 LEU 137 HB3 -0.15 -0.09 -0.00 -0.04 1.64 1.36 3mi9A1 LEU 137 HG -0.05 0.14 0.02 -0.04 1.64 1.71 3mi9A1 LEU 137 HD13 0.03 -0.01 -0.12 -0.04 0.93 0.79 3mi9A1 LEU 137 HD23 -0.08 -0.03 -0.01 -0.04 0.89 0.73 3mi9A1 TYR 138 H 0.13 0.55 -0.25 -0.55 8.29 8.18 3mi9A1 TYR 138 HA 0.06 -0.09 0.42 -0.75 4.56 4.20 3mi9A1 TYR 138 HB2 0.04 0.03 0.08 -0.04 3.06 3.17 3mi9A1 TYR 138 HB3 0.03 0.17 0.16 -0.04 2.98 3.30 3mi9A1 TYR 138 HD2 0.09 -0.06 -0.09 -0.04 7.15 7.04 3mi9A1 TYR 138 HE2 0.07 -0.01 -0.02 -0.04 6.85 6.85 3mi9A1 TYR 139 H 0.17 0.51 -0.17 -0.55 8.29 8.25 3mi9A1 TYR 139 HA -0.03 0.01 0.38 -0.75 4.56 4.16 3mi9A1 TYR 139 HB2 -0.35 -0.01 0.11 -0.04 3.06 2.77 3mi9A1 TYR 139 HB3 -0.39 0.14 0.14 -0.04 2.98 2.83 3mi9A1 TYR 139 HD2 -0.01 0.00 -0.09 -0.04 7.15 7.01 3mi9A1 TYR 139 HE2 0.02 -0.01 -0.08 -0.04 6.85 6.74 3mi9A1 ILE 140 H -0.03 0.51 -0.12 -0.55 8.25 8.06 3mi9A1 ILE 140 HA -0.25 0.07 0.33 -0.75 4.18 3.58 3mi9A1 ILE 140 HB 0.13 -0.03 -0.04 -0.04 1.89 1.92 3mi9A1 ILE 140 HG12 -0.24 0.06 0.14 -0.04 1.49 1.40 3mi9A1 ILE 140 HG13 -0.12 0.16 -0.19 -0.04 1.21 1.02 3mi9A1 ILE 140 HG23 0.22 0.09 -0.02 -0.04 0.93 1.19 3mi9A1 ILE 140 HD13 0.19 -0.05 -0.12 -0.04 0.88 0.85 3mi9A1 HIS 141 H -0.17 0.53 -0.16 -0.55 8.41 8.07 3mi9A1 HIS 141 HA 0.23 0.10 0.54 -0.75 4.63 4.74 3mi9A1 HIS 141 HB2 -0.04 0.07 0.22 -0.04 3.26 3.48 3mi9A1 HIS 141 HB3 0.08 -0.09 0.09 -0.04 3.20 3.23 3mi9A1 HIS 141 HD2 0.06 0.51 0.12 -0.04 6.97 7.61 3mi9A1 HIS 141 HE1 0.02 -0.06 0.05 -0.04 7.75 7.72 3mi9A1 ARG 142 H -0.20 0.76 -0.01 -0.55 8.46 8.46 3mi9A1 ARG 142 HA -0.16 -0.05 0.41 -0.75 4.34 3.79 3mi9A1 ARG 142 HB2 -0.55 0.05 0.13 -0.04 1.90 1.49 3mi9A1 ARG 142 HB3 -0.28 0.15 0.12 -0.04 1.80 1.75 3mi9A1 ARG 142 HG2 -0.07 0.00 -0.01 -0.04 1.67 1.55 3mi9A1 ARG 142 HG3 -0.12 -0.00 0.03 -0.04 1.67 1.53 3mi9A1 ARG 142 HD2 -0.20 -0.03 0.06 -0.04 3.22 3.01 3mi9A1 ARG 142 HD3 -0.50 -0.03 0.01 -0.04 3.22 2.66 3mi9A1 ASN 143 H -0.24 0.38 -0.43 -0.55 8.53 7.69 3mi9A1 ASN 143 HA -0.17 0.08 0.64 -0.75 4.76 4.57 3mi9A1 ASN 143 HB2 -0.36 0.07 0.09 -0.04 2.88 2.64 3mi9A1 ASN 143 HB3 -0.18 -0.04 0.13 -0.04 2.79 2.65 3mi9A1 ASN 143 HD21 -0.53 -0.08 -0.03 -0.04 7.03 6.35 3mi9A1 ASN 143 HD22 -0.99 0.42 0.05 -0.04 7.74 7.17 3mi9A1 LYS 144 H -0.08 0.52 -0.62 -0.55 8.42 7.69 3mi9A1 LYS 144 HA -0.65 0.02 0.32 -0.75 4.32 3.26 3mi9A1 LYS 144 HB2 -0.24 0.18 0.02 -0.04 1.87 1.78 3mi9A1 LYS 144 HB3 -0.57 0.07 0.32 -0.04 1.79 1.58 3mi9A1 LYS 144 HG2 -0.53 -0.10 0.03 -0.04 1.46 0.82 3mi9A1 LYS 144 HG3 -0.31 0.14 -0.09 -0.04 1.46 1.16 3mi9A1 LYS 144 HD2 -0.16 -0.02 0.00 -0.04 1.69 1.47 3mi9A1 LYS 144 HD3 -0.17 0.06 -0.12 -0.04 1.68 1.41 3mi9A1 LYS 144 HE2 -0.20 0.06 0.07 -0.04 2.99 2.88 3mi9A1 LYS 144 HE3 -0.19 -0.14 0.08 -0.04 2.99 2.70 3mi9A1 ILE 145 H 0.27 0.56 0.05 -0.55 8.25 8.57 3mi9A1 ILE 145 HA 0.22 0.24 1.05 -0.75 4.18 4.94 3mi9A1 ILE 145 HB 0.13 -0.01 -0.05 -0.04 1.89 1.91 3mi9A1 ILE 145 HG12 -0.01 0.13 -0.31 -0.04 1.49 1.26 3mi9A1 ILE 145 HG13 0.01 -0.05 -0.11 -0.04 1.21 1.02 3mi9A1 ILE 145 HG23 0.21 -0.04 -0.29 -0.04 0.93 0.78 3mi9A1 ILE 145 HD13 0.02 0.06 -0.20 -0.04 0.88 0.72 3mi9A1 LEU 146 H 0.18 0.75 0.26 -0.55 8.37 9.00 3mi9A1 LEU 146 HA 0.17 0.07 0.77 -0.75 4.35 4.61 3mi9A1 LEU 146 HB2 0.04 0.07 -0.01 -0.04 1.64 1.70 3mi9A1 LEU 146 HB3 0.05 -0.10 -0.12 -0.04 1.64 1.42 3mi9A1 LEU 146 HG -0.15 0.04 -0.30 -0.04 1.64 1.19 3mi9A1 LEU 146 HD13 -0.12 0.03 -0.21 -0.04 0.93 0.58 3mi9A1 LEU 146 HD23 -0.62 0.02 -0.30 -0.04 0.89 -0.05 3mi9A1 HIS 147 H 0.25 0.09 0.05 -0.55 8.41 8.26 3mi9A1 HIS 147 HA -0.04 0.15 0.43 -0.75 4.63 4.42 3mi9A1 HIS 147 HB2 -0.06 0.07 0.03 -0.04 3.26 3.26 3mi9A1 HIS 147 HB3 -0.05 -0.13 0.09 -0.04 3.20 3.06 3mi9A1 HIS 147 HD2 -0.94 -0.01 -0.14 -0.04 6.97 5.84 3mi9A1 HIS 147 HE1 -0.25 0.17 -0.14 -0.04 7.75 7.49 3mi9A1 ARG 148 H 0.13 0.02 -0.07 -0.55 8.46 7.98 3mi9A1 ARG 148 HA 0.04 -0.00 0.19 -0.75 4.34 3.81 3mi9A1 ARG 148 HB2 -0.02 0.40 -0.14 -0.04 1.90 2.10 3mi9A1 ARG 148 HB3 0.00 -0.07 0.08 -0.04 1.80 1.77 3mi9A1 ARG 148 HG2 0.07 -0.12 -0.24 -0.04 1.67 1.33 3mi9A1 ARG 148 HG3 0.05 0.09 -0.70 -0.04 1.67 1.07 3mi9A1 ARG 148 HD2 0.11 -0.03 -0.12 -0.04 3.22 3.14 3mi9A1 ARG 148 HD3 0.18 -0.04 -0.16 -0.04 3.22 3.16 3mi9A1 ASP 149 H 0.53 0.03 -0.44 -0.55 8.40 7.98 3mi9A1 ASP 149 HA 0.01 0.01 0.55 -0.75 4.63 4.44 3mi9A1 ASP 149 HB2 -0.05 0.10 -0.23 -0.04 2.71 2.49 3mi9A1 ASP 149 HB3 0.04 0.13 0.02 -0.04 2.70 2.84 3mi9A1 MET 150 H -0.01 0.05 0.01 -0.55 8.47 7.97 3mi9A1 MET 150 HA -0.40 0.12 0.47 -0.75 4.52 3.96 3mi9A1 MET 150 HB2 -0.05 0.05 0.12 -0.04 2.15 2.22 3mi9A1 MET 150 HB3 -0.17 0.03 -0.06 -0.04 2.03 1.79 3mi9A1 MET 150 HG2 -0.16 -0.19 0.06 -0.04 2.63 2.31 3mi9A1 MET 150 HG3 -0.07 0.15 0.12 -0.04 2.56 2.72 3mi9A1 MET 150 HE3 -0.14 0.01 -0.11 -0.04 2.10 1.82 3mi9A1 LYS 151 H -0.36 0.35 0.15 -0.55 8.42 8.02 3mi9A1 LYS 151 HA -1.67 0.09 0.28 -0.75 4.32 2.26 3mi9A1 LYS 151 HB2 -0.59 -0.09 0.07 -0.04 1.87 1.22 3mi9A1 LYS 151 HB3 -0.71 0.30 0.12 -0.04 1.79 1.46 3mi9A1 LYS 151 HG2 -0.23 0.33 -0.35 -0.04 1.46 1.17 3mi9A1 LYS 151 HG3 -0.23 -0.34 -0.23 -0.04 1.46 0.62 3mi9A1 LYS 151 HD2 -0.12 -0.10 -0.10 -0.04 1.69 1.33 3mi9A1 LYS 151 HD3 -0.15 0.02 -0.07 -0.04 1.68 1.44 3mi9A1 LYS 151 HE2 -0.11 0.03 -0.09 -0.04 2.99 2.78 3mi9A1 LYS 151 HE3 -0.10 0.05 -0.09 -0.04 2.99 2.81 3mi9A1 ALA 152 H -0.18 0.23 0.06 -0.55 8.40 7.96 3mi9A1 ALA 152 HA -0.09 0.14 0.33 -0.75 4.34 3.97 3mi9A1 ALA 152 HB3 0.03 0.04 -0.05 -0.04 1.41 1.40 3mi9A1 ALA 153 H -0.09 0.14 -0.24 -0.55 8.40 7.66 3mi9A1 ALA 153 HA -0.04 -0.09 0.42 -0.75 4.34 3.87 3mi9A1 ALA 153 HB3 -0.05 0.04 0.01 -0.04 1.41 1.37 3mi9A1 ASN 154 H -0.15 0.37 -0.42 -0.55 8.53 7.78 3mi9A1 ASN 154 HA -0.09 0.13 0.69 -0.75 4.76 4.74 3mi9A1 ASN 154 HB2 -0.17 0.03 0.14 -0.04 2.88 2.83 3mi9A1 ASN 154 HB3 -0.09 0.15 0.23 -0.04 2.79 3.03 3mi9A1 ASN 154 HD21 -0.05 -0.13 0.00 -0.04 7.03 6.81 3mi9A1 ASN 154 HD22 -0.02 0.61 0.15 -0.04 7.74 8.43 3mi9A1 VAL 155 H -0.08 0.27 -0.45 -0.55 8.24 7.43 3mi9A1 VAL 155 HA -0.07 0.20 0.90 -0.75 4.13 4.41 3mi9A1 VAL 155 HB -0.07 -0.05 0.21 -0.04 2.12 2.16 3mi9A1 VAL 155 HG13 -0.05 0.02 -0.15 -0.04 0.97 0.75 3mi9A1 VAL 155 HG23 -0.13 0.03 -0.15 -0.04 0.95 0.66 3mi9A1 LEU 156 H -0.04 0.68 0.21 -0.55 8.37 8.68 3mi9A1 LEU 156 HA -0.04 0.21 1.02 -0.75 4.35 4.79 3mi9A1 LEU 156 HB2 -0.06 -0.03 -0.00 -0.04 1.64 1.51 3mi9A1 LEU 156 HB3 -0.10 0.04 0.00 -0.04 1.64 1.54 3mi9A1 LEU 156 HG -0.07 0.02 -0.16 -0.04 1.64 1.39 3mi9A1 LEU 156 HD13 -0.14 -0.01 -0.10 -0.04 0.93 0.64 3mi9A1 LEU 156 HD23 -0.09 -0.00 -0.25 -0.04 0.89 0.51 3mi9A1 ILE 157 H -0.00 0.87 0.25 -0.55 8.25 8.81 3mi9A1 ILE 157 HA -0.00 0.22 0.63 -0.75 4.18 4.28 3mi9A1 ILE 157 HB 0.01 -0.04 -0.10 -0.04 1.89 1.73 3mi9A1 ILE 157 HG12 0.00 0.04 -0.17 -0.04 1.49 1.33 3mi9A1 ILE 157 HG13 0.00 -0.05 -0.64 -0.04 1.21 0.49 3mi9A1 ILE 157 HG23 -0.01 0.04 -0.26 -0.04 0.93 0.66 3mi9A1 ILE 157 HD13 0.04 0.00 -0.18 -0.04 0.88 0.70 3mi9A1 THR 158 H -0.00 0.55 0.12 -0.55 8.28 8.40 3mi9A1 THR 158 HA -0.05 -0.04 0.76 -0.75 4.39 4.31 3mi9A1 THR 158 HB -0.01 -0.03 0.20 -0.04 4.32 4.44 3mi9A1 THR 158 HG23 -0.03 0.12 0.02 -0.04 1.22 1.28 3mi9A1 ARG 159 H 0.00 0.15 0.23 -0.55 8.46 8.30 3mi9A1 ARG 159 HA 0.11 0.17 0.41 -0.75 4.34 4.27 3mi9A1 ARG 159 HB2 0.03 0.03 0.16 -0.04 1.90 2.08 3mi9A1 ARG 159 HB3 0.03 -0.05 0.18 -0.04 1.80 1.92 3mi9A1 ARG 159 HG2 0.03 0.01 -0.18 -0.04 1.67 1.49 3mi9A1 ARG 159 HG3 0.05 0.07 0.05 -0.04 1.67 1.79 3mi9A1 ARG 159 HD2 0.04 0.02 0.03 -0.04 3.22 3.27 3mi9A1 ARG 159 HD3 0.05 -0.03 0.02 -0.04 3.22 3.22 3mi9A1 ASP 160 H 0.02 -0.00 -0.26 -0.55 8.40 7.61 3mi9A1 ASP 160 HA 0.01 0.17 0.48 -0.75 4.63 4.54 3mi9A1 ASP 160 HB2 0.00 -0.05 0.00 -0.04 2.71 2.62 3mi9A1 ASP 160 HB3 0.00 0.04 0.10 -0.04 2.70 2.80 3mi9A1 GLY 161 H 0.01 0.62 -0.62 -0.55 8.43 7.89 3mi9A1 GLY 161 HA2 -0.01 0.09 0.20 -0.51 4.01 3.77 3mi9A1 GLY 161 HA3 -0.01 0.01 0.47 -0.51 4.01 3.97 3mi9A1 VAL 162 H -0.00 -0.03 -0.13 -0.55 8.24 7.53 3mi9A1 VAL 162 HA -0.01 0.22 0.96 -0.75 4.13 4.55 3mi9A1 VAL 162 HB -0.01 -0.11 0.04 -0.04 2.12 2.00 3mi9A1 VAL 162 HG13 -0.01 0.04 -0.14 -0.04 0.97 0.82 3mi9A1 VAL 162 HG23 -0.01 0.01 -0.15 -0.04 0.95 0.76 3mi9A1 LEU 163 H 0.00 0.15 0.13 -0.55 8.37 8.11 3mi9A1 LEU 163 HA -0.00 0.28 0.78 -0.75 4.35 4.66 3mi9A1 LEU 163 HB2 0.00 -0.02 0.05 -0.04 1.64 1.63 3mi9A1 LEU 163 HB3 0.01 -0.07 0.11 -0.04 1.64 1.65 3mi9A1 LEU 163 HG -0.01 0.10 -0.08 -0.04 1.64 1.61 3mi9A1 LEU 163 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.86 3mi9A1 LEU 163 HD23 0.01 -0.03 -0.50 -0.04 0.89 0.33 3mi9A1 LYS 164 H -0.00 0.62 0.20 -0.55 8.42 8.69 3mi9A1 LYS 164 HA 0.05 0.20 0.62 -0.75 4.32 4.43 3mi9A1 LYS 164 HB2 0.00 -0.13 -0.16 -0.04 1.87 1.54 3mi9A1 LYS 164 HB3 0.05 0.03 -0.47 -0.04 1.79 1.36 3mi9A1 LYS 164 HG2 -0.00 -0.01 -0.55 -0.04 1.46 0.86 3mi9A1 LYS 164 HG3 -0.00 -0.09 -0.25 -0.04 1.46 1.08 3mi9A1 LYS 164 HD2 0.04 0.07 -0.30 -0.04 1.69 1.45 3mi9A1 LYS 164 HD3 0.03 0.27 -0.21 -0.04 1.68 1.73 3mi9A1 LYS 164 HE2 0.00 -0.09 -0.20 -0.04 2.99 2.66 3mi9A1 LYS 164 HE3 0.01 -0.11 -0.14 -0.04 2.99 2.71 3mi9A1 LEU 165 H 0.10 0.71 0.18 -0.55 8.37 8.82 3mi9A1 LEU 165 HA -0.01 0.08 0.66 -0.75 4.35 4.33 3mi9A1 LEU 165 HB2 0.29 -0.03 0.22 -0.04 1.64 2.08 3mi9A1 LEU 165 HB3 0.11 0.01 0.04 -0.04 1.64 1.75 3mi9A1 LEU 165 HG 0.06 0.17 0.13 -0.04 1.64 1.97 3mi9A1 LEU 165 HD13 0.05 -0.00 -0.14 -0.04 0.93 0.80 3mi9A1 LEU 165 HD23 -0.08 -0.01 0.01 -0.04 0.89 0.77 3mi9A1 ALA 166 H -0.01 0.66 0.36 -0.55 8.40 8.86 3mi9A1 ALA 166 HA 0.21 0.13 0.90 -0.75 4.34 4.83 3mi9A1 ALA 166 HB3 -0.07 -0.03 -0.08 -0.04 1.41 1.19 3mi9A1 ASP 167 H -0.04 0.11 0.08 -0.55 8.40 8.01 3mi9A1 ASP 167 HA -0.02 -0.02 0.39 -0.75 4.63 4.23 3mi9A1 ASP 167 HB2 -0.08 -0.00 -0.07 -0.04 2.71 2.53 3mi9A1 ASP 167 HB3 -0.06 0.23 0.09 -0.04 2.70 2.93 3mi9A1 PHE 168 H 0.27 0.15 0.00 -0.55 8.34 8.22 3mi9A1 PHE 168 HA -0.31 0.23 0.67 -0.75 4.62 4.45 3mi9A1 PHE 168 HB2 0.04 0.01 0.04 -0.04 3.15 3.20 3mi9A1 PHE 168 HB3 -0.03 0.05 0.14 -0.04 3.06 3.18 3mi9A1 PHE 168 HD2 0.01 -0.07 -0.15 -0.04 7.28 7.03 3mi9A1 PHE 168 HE2 0.10 0.05 -0.25 -0.04 7.38 7.24 3mi9A1 PHE 168 HZ 0.15 -0.02 -0.13 -0.04 7.32 7.29 3mi9A1 GLY 169 H -0.04 0.04 -0.53 -0.55 8.43 7.36 3mi9A1 GLY 169 HA2 0.05 0.08 0.33 -0.51 4.01 3.96 3mi9A1 GLY 169 HA3 -0.00 -0.01 0.25 -0.51 4.01 3.74 3mi9A1 LEU 170 H -0.13 0.08 -0.51 -0.55 8.37 7.26 3mi9A1 LEU 170 HA -0.02 0.20 0.88 -0.75 4.35 4.65 3mi9A1 LEU 170 HB2 -0.08 0.03 -0.08 -0.04 1.64 1.47 3mi9A1 LEU 170 HB3 -0.03 0.01 0.13 -0.04 1.64 1.71 3mi9A1 LEU 170 HG -0.05 -0.15 -0.42 -0.04 1.64 0.99 3mi9A1 LEU 170 HD13 -0.04 -0.01 -0.04 -0.04 0.93 0.80 3mi9A1 LEU 170 HD23 -0.02 0.04 -0.02 -0.04 0.89 0.85 3mi9A1 ALA 171 H -0.03 0.28 -0.17 -0.55 8.40 7.93 3mi9A1 ALA 171 HA -0.02 0.21 0.56 -0.75 4.34 4.33 3mi9A1 ALA 171 HB3 0.08 -0.02 0.10 -0.04 1.41 1.53 3mi9A1 ARG 172 H 0.05 0.41 0.29 -0.55 8.46 8.66 3mi9A1 ARG 172 HA 0.03 0.09 0.53 -0.75 4.34 4.23 3mi9A1 ARG 172 HB2 -0.03 -0.04 0.14 -0.04 1.90 1.93 3mi9A1 ARG 172 HB3 0.00 0.09 -0.17 -0.04 1.80 1.68 3mi9A1 ARG 172 HG2 -0.03 -0.02 -0.13 -0.04 1.67 1.45 3mi9A1 ARG 172 HG3 -0.12 -0.01 -0.36 -0.04 1.67 1.13 3mi9A1 ARG 172 HD2 -0.06 -0.02 -0.04 -0.04 3.22 3.05 3mi9A1 ARG 172 HD3 -0.41 -0.08 -0.08 -0.04 3.22 2.62 3mi9A1 ALA 173 H -0.01 0.09 0.18 -0.55 8.40 8.12 3mi9A1 ALA 173 HA 0.06 0.33 0.96 -0.75 4.34 4.94 3mi9A1 ALA 173 HB3 -0.03 -0.00 0.13 -0.04 1.41 1.47 3mi9A1 PHE 174 H -0.07 0.62 0.26 -0.55 8.34 8.59 3mi9A1 PHE 174 HA -0.19 0.17 0.93 -0.75 4.62 4.78 3mi9A1 PHE 174 HB2 -0.02 0.00 0.08 -0.04 3.15 3.17 3mi9A1 PHE 174 HB3 -0.26 -0.01 -0.20 -0.04 3.06 2.56 3mi9A1 PHE 174 HD2 -0.00 0.09 -0.38 -0.04 7.28 6.94 3mi9A1 PHE 174 HE2 0.01 0.02 -0.13 -0.04 7.38 7.24 3mi9A1 PHE 174 HZ -0.04 0.05 0.02 -0.04 7.32 7.32 3mi9A1 SER 175 H 0.36 0.15 0.14 -0.55 8.46 8.56 3mi9A1 SER 175 HA -0.11 0.20 0.88 -0.75 4.49 4.70 3mi9A1 SER 175 HB2 0.06 0.04 -0.01 -0.04 3.95 3.99 3mi9A1 SER 175 HB3 0.11 0.00 0.09 -0.04 3.93 4.09 3mi9A1 LEU 176 H -0.12 0.22 0.09 -0.55 8.37 8.01 3mi9A1 LEU 176 HA 0.05 0.12 0.54 -0.75 4.35 4.30 3mi9A1 LEU 176 HB2 -0.07 -0.02 0.25 -0.04 1.64 1.76 3mi9A1 LEU 176 HB3 -0.02 -0.01 0.14 -0.04 1.64 1.70 3mi9A1 LEU 176 HG -0.31 0.04 0.04 -0.04 1.64 1.37 3mi9A1 LEU 176 HD13 -0.11 0.02 0.06 -0.04 0.93 0.86 3mi9A1 LEU 176 HD23 -0.07 0.02 -0.04 -0.04 0.89 0.76 3mi9A1 ALA 177 H 0.07 0.51 -0.18 -0.55 8.40 8.25 3mi9A1 ALA 177 HA 0.01 0.09 1.00 -0.75 4.34 4.68 3mi9A1 ALA 177 HB3 0.01 0.01 -0.07 -0.04 1.41 1.32 3mi9A1 LYS 178 H 0.01 0.20 0.06 -0.55 8.42 8.13 3mi9A1 LYS 178 HA 0.02 0.15 0.57 -0.75 4.32 4.31 3mi9A1 LYS 178 HB2 0.01 -0.04 0.05 -0.04 1.87 1.85 3mi9A1 LYS 178 HB3 0.02 0.03 0.06 -0.04 1.79 1.85 3mi9A1 LYS 178 HG2 0.03 0.04 -0.01 -0.04 1.46 1.47 3mi9A1 LYS 178 HG3 0.03 -0.03 -0.07 -0.04 1.46 1.35 3mi9A1 LYS 178 HD2 0.02 -0.01 -0.01 -0.04 1.69 1.65 3mi9A1 LYS 178 HD3 0.02 0.01 0.00 -0.04 1.68 1.67 3mi9A1 LYS 178 HE2 0.03 0.01 -0.01 -0.04 2.99 2.98 3mi9A1 LYS 178 HE3 0.03 -0.00 -0.02 -0.04 2.99 2.95 3mi9A1 ASN 179 H 0.01 -0.15 -0.07 -0.55 8.53 7.77 3mi9A1 ASN 179 HA 0.00 0.11 0.36 -0.75 4.76 4.48 3mi9A1 ASN 179 HB2 -0.00 -0.21 0.20 -0.04 2.88 2.83 3mi9A1 ASN 179 HB3 -0.00 0.05 0.11 -0.04 2.79 2.90 3mi9A1 ASN 179 HD21 -0.00 0.09 0.12 -0.04 7.03 7.20 3mi9A1 ASN 179 HD22 -0.00 0.00 0.11 -0.04 7.74 7.81 3mi9A1 SER 180 H -0.00 -0.02 0.03 -0.55 8.46 7.92 3mi9A1 SER 180 HA -0.01 0.17 0.51 -0.75 4.49 4.41 3mi9A1 SER 180 HB2 -0.01 0.01 0.17 -0.04 3.95 4.08 3mi9A1 SER 180 HB3 -0.01 0.00 0.11 -0.04 3.93 3.99 3mi9A1 GLN 181 H -0.01 -0.01 0.09 -0.55 8.47 7.99 3mi9A1 GLN 181 HA -0.02 0.13 0.43 -0.75 4.36 4.13 3mi9A1 GLN 181 HB2 -0.02 -0.05 0.00 -0.04 2.15 2.04 3mi9A1 GLN 181 HB3 -0.03 0.13 0.08 -0.04 2.02 2.16 3mi9A1 GLN 181 HG2 -0.01 -0.07 0.08 -0.04 2.40 2.35 3mi9A1 GLN 181 HG3 -0.02 0.02 0.04 -0.04 2.39 2.39 3mi9A1 GLN 181 HE21 -0.02 0.01 -0.05 -0.04 6.97 6.87 3mi9A1 GLN 181 HE22 -0.02 0.06 0.04 -0.04 7.69 7.73 3mi9A1 PRO 182 HA -0.07 0.08 0.58 -0.51 4.44 4.53 3mi9A1 PRO 182 HB2 -0.06 0.01 -0.00 -0.04 2.28 2.19 3mi9A1 PRO 182 HB3 -0.05 0.04 0.09 -0.04 2.02 2.05 3mi9A1 PRO 182 HG2 -0.03 0.01 0.07 -0.04 2.03 2.04 3mi9A1 PRO 182 HG3 -0.03 0.10 0.06 -0.04 2.03 2.11 3mi9A1 PRO 182 HD2 -0.04 0.07 0.20 -0.04 3.68 3.88 3mi9A1 PRO 182 HD3 -0.03 0.08 0.23 -0.04 3.65 3.88 3mi9A1 ASN 183 H -0.18 0.13 0.21 -0.55 8.53 8.15 3mi9A1 ASN 183 HA -0.24 0.08 0.63 -0.75 4.76 4.47 3mi9A1 ASN 183 HB2 -0.53 0.00 0.19 -0.04 2.88 2.50 3mi9A1 ASN 183 HB3 -1.47 0.01 0.05 -0.04 2.79 1.35 3mi9A1 ASN 183 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.94 3mi9A1 ASN 183 HD22 -0.13 0.01 0.03 -0.04 7.74 7.61 3mi9A1 ARG 184 H -0.28 0.13 0.05 -0.55 8.46 7.81 3mi9A1 ARG 184 HA -0.15 0.17 0.77 -0.75 4.34 4.38 3mi9A1 ARG 184 HB2 -0.08 -0.02 0.03 -0.04 1.90 1.79 3mi9A1 ARG 184 HB3 -0.03 -0.02 0.24 -0.04 1.80 1.95 3mi9A1 ARG 184 HG2 -0.01 0.06 0.03 -0.04 1.67 1.71 3mi9A1 ARG 184 HG3 -0.04 0.01 -0.05 -0.04 1.67 1.55 3mi9A1 ARG 184 HD2 -0.02 -0.02 -0.00 -0.04 3.22 3.14 3mi9A1 ARG 184 HD3 -0.00 -0.01 0.02 -0.04 3.22 3.18 3mi9A1 TYR 185 H -0.29 0.86 0.14 -0.55 8.29 8.46 3mi9A1 TYR 185 HA -0.02 0.13 0.55 -0.75 4.56 4.47 3mi9A1 TYR 185 HB2 -0.62 0.01 0.06 -0.04 3.06 2.47 3mi9A1 TYR 185 HB3 -0.09 0.01 0.05 -0.04 2.98 2.91 3mi9A1 TYR 185 HD2 -0.51 -0.02 -0.06 -0.04 7.15 6.52 3mi9A1 TYR 185 HE2 -0.07 0.07 0.04 -0.04 6.85 6.85 3mi9A1 ASN 187 HA 0.17 -0.02 -0.12 -0.75 4.76 4.05 3mi9A1 ASN 187 HB2 0.12 0.10 0.12 -0.04 2.88 3.18 3mi9A1 ASN 187 HB3 0.06 -0.11 0.11 -0.04 2.79 2.81 3mi9A1 ASN 187 HD21 -0.02 0.18 0.08 -0.04 7.03 7.22 3mi9A1 ASN 187 HD22 0.07 0.61 -0.21 -0.04 7.74 8.17 3mi9A1 ARG 188 H 0.04 0.14 0.09 -0.55 8.46 8.18 3mi9A1 ARG 188 HA -0.02 0.14 0.62 -0.75 4.34 4.33 3mi9A1 ARG 188 HB2 0.01 -0.02 0.11 -0.04 1.90 1.96 3mi9A1 ARG 188 HB3 0.01 -0.03 0.23 -0.04 1.80 1.97 3mi9A1 ARG 188 HG2 -0.01 -0.01 -0.10 -0.04 1.67 1.51 3mi9A1 ARG 188 HG3 -0.01 0.03 -0.01 -0.04 1.67 1.64 3mi9A1 ARG 188 HD2 0.00 0.00 0.02 -0.04 3.22 3.20 3mi9A1 ARG 188 HD3 -0.00 -0.03 0.01 -0.04 3.22 3.15 3mi9A1 VAL 189 H -0.07 0.50 0.20 -0.55 8.24 8.32 3mi9A1 VAL 189 HA -0.02 0.11 0.85 -0.75 4.13 4.32 3mi9A1 VAL 189 HB -0.04 0.00 0.03 -0.04 2.12 2.07 3mi9A1 VAL 189 HG13 0.04 -0.01 -0.26 -0.04 0.97 0.70 3mi9A1 VAL 189 HG23 -0.22 0.02 -0.16 -0.04 0.95 0.55 3mi9A1 VAL 190 H -0.02 0.21 0.13 -0.55 8.24 8.00 3mi9A1 VAL 190 HA -0.00 0.04 0.31 -0.75 4.13 3.72 3mi9A1 VAL 190 HB -0.01 0.17 0.21 -0.04 2.12 2.45 3mi9A1 VAL 190 HG13 0.09 0.02 -0.22 -0.04 0.97 0.82 3mi9A1 VAL 190 HG23 -0.05 -0.06 -0.41 -0.04 0.95 0.38 3mi9A1 THR 191 H 0.01 0.10 0.03 -0.55 8.28 7.87 3mi9A1 THR 191 HA -0.04 0.05 0.37 -0.75 4.39 4.01 3mi9A1 THR 191 HB 0.08 0.09 0.06 -0.04 4.32 4.50 3mi9A1 THR 191 HG23 -0.02 -0.06 -0.15 -0.04 1.22 0.95 3mi9A1 LEU 192 H -0.06 0.12 0.12 -0.55 8.37 8.01 3mi9A1 LEU 192 HA 0.06 0.17 0.30 -0.75 4.35 4.13 3mi9A1 LEU 192 HB2 0.01 0.03 0.06 -0.04 1.64 1.70 3mi9A1 LEU 192 HB3 -0.02 -0.04 0.08 -0.04 1.64 1.62 3mi9A1 LEU 192 HG 0.24 0.00 -0.31 -0.04 1.64 1.53 3mi9A1 LEU 192 HD13 0.06 0.00 -0.10 -0.04 0.93 0.85 3mi9A1 LEU 192 HD23 0.16 0.06 -0.38 -0.04 0.89 0.69 3mi9A1 TRP 193 H 0.05 0.05 -0.12 -0.55 7.97 7.40 3mi9A1 TRP 193 HA -0.09 0.16 0.45 -0.75 4.62 4.39 3mi9A1 TRP 193 HB2 -0.14 -0.08 -0.02 -0.04 3.23 2.95 3mi9A1 TRP 193 HB3 -0.33 0.01 0.04 -0.04 3.23 2.90 3mi9A1 TRP 193 HD1 -0.05 -0.09 -0.04 -0.04 7.22 7.00 3mi9A1 TRP 193 HE1 -0.03 0.46 -0.14 -0.04 10.20 10.45 3mi9A1 TRP 193 HE3 -0.04 -0.05 -0.05 -0.04 7.59 7.41 3mi9A1 TRP 193 HZ2 -0.00 0.04 -0.06 -0.04 7.44 7.38 3mi9A1 TRP 193 HZ3 0.01 0.01 -0.02 -0.04 7.13 7.08 3mi9A1 TRP 193 HH2 0.00 0.02 -0.03 -0.04 7.19 7.14 3mi9A1 TYR 194 H 0.33 0.34 -0.65 -0.55 8.29 7.76 3mi9A1 TYR 194 HA 0.24 0.17 0.82 -0.75 4.56 5.03 3mi9A1 TYR 194 HB2 0.08 0.06 -0.02 -0.04 3.06 3.14 3mi9A1 TYR 194 HB3 0.11 -0.09 0.07 -0.04 2.98 3.04 3mi9A1 TYR 194 HD2 0.05 0.01 -0.10 -0.04 7.15 7.07 3mi9A1 TYR 194 HE2 0.06 0.01 -0.12 -0.04 6.85 6.76 3mi9A1 ARG 195 H 0.20 0.44 -0.15 -0.55 8.46 8.40 3mi9A1 ARG 195 HA 0.06 0.08 0.60 -0.75 4.34 4.33 3mi9A1 ARG 195 HB2 0.05 0.06 -0.12 -0.04 1.90 1.85 3mi9A1 ARG 195 HB3 0.01 -0.06 0.08 -0.04 1.80 1.78 3mi9A1 ARG 195 HG2 -0.12 0.01 -0.11 -0.04 1.67 1.41 3mi9A1 ARG 195 HG3 -0.07 0.09 0.07 -0.04 1.67 1.72 3mi9A1 ARG 195 HD2 -0.04 -0.14 -0.09 -0.04 3.22 2.90 3mi9A1 ARG 195 HD3 -0.07 0.03 -0.05 -0.04 3.22 3.10 3mi9A1 PRO 196 HA -2.32 0.17 0.43 -0.51 4.44 2.21 3mi9A1 PRO 196 HB2 -0.52 -0.05 0.07 -0.04 2.28 1.74 3mi9A1 PRO 196 HB3 -0.39 0.07 0.17 -0.04 2.02 1.82 3mi9A1 PRO 196 HG2 -0.26 -0.16 0.08 -0.04 2.03 1.65 3mi9A1 PRO 196 HG3 -0.15 -0.07 0.17 -0.04 2.03 1.95 3mi9A1 PRO 196 HD2 -0.12 0.11 0.26 -0.04 3.68 3.89 3mi9A1 PRO 196 HD3 0.02 0.29 0.33 -0.04 3.65 4.25 3mi9A1 PRO 197 HA -0.20 0.07 0.38 -0.51 4.44 4.17 3mi9A1 PRO 197 HB2 -0.04 0.08 0.05 -0.04 2.28 2.33 3mi9A1 PRO 197 HB3 0.05 0.03 0.04 -0.04 2.02 2.09 3mi9A1 PRO 197 HG2 -0.50 0.06 0.06 -0.04 2.03 1.62 3mi9A1 PRO 197 HG3 -0.54 0.05 0.05 -0.04 2.03 1.55 3mi9A1 PRO 197 HD2 -1.00 0.16 0.20 -0.04 3.68 3.01 3mi9A1 PRO 197 HD3 -2.78 0.16 0.20 -0.04 3.65 1.19 3mi9A1 GLU 198 H -0.22 0.20 -0.12 -0.55 8.60 7.92 3mi9A1 GLU 198 HA 0.32 0.07 0.31 -0.75 4.29 4.23 3mi9A1 GLU 198 HB2 0.23 -0.01 0.01 -0.04 2.09 2.28 3mi9A1 GLU 198 HB3 0.06 0.07 0.12 -0.04 1.99 2.19 3mi9A1 GLU 198 HG2 -0.11 -0.05 -0.07 -0.04 2.34 2.07 3mi9A1 GLU 198 HG3 0.04 -0.03 -0.08 -0.04 2.34 2.23 3mi9A1 LEU 199 H -0.17 0.23 -0.37 -0.55 8.37 7.52 3mi9A1 LEU 199 HA -0.09 0.13 0.46 -0.75 4.35 4.10 3mi9A1 LEU 199 HB2 -0.18 0.13 0.07 -0.04 1.64 1.63 3mi9A1 LEU 199 HB3 -0.15 0.13 0.03 -0.04 1.64 1.61 3mi9A1 LEU 199 HG -0.27 -0.17 -0.01 -0.04 1.64 1.16 3mi9A1 LEU 199 HD13 -0.29 0.01 0.01 -0.04 0.93 0.63 3mi9A1 LEU 199 HD23 -0.61 0.04 -0.04 -0.04 0.89 0.23 3mi9A1 LEU 200 H -0.13 0.34 -0.12 -0.55 8.37 7.91 3mi9A1 LEU 200 HA -0.06 0.01 0.39 -0.75 4.35 3.94 3mi9A1 LEU 200 HB2 -0.08 0.10 0.08 -0.04 1.64 1.70 3mi9A1 LEU 200 HB3 -0.05 -0.07 0.04 -0.04 1.64 1.52 3mi9A1 LEU 200 HG -0.10 0.10 -0.09 -0.04 1.64 1.52 3mi9A1 LEU 200 HD13 -0.06 -0.01 -0.16 -0.04 0.93 0.67 3mi9A1 LEU 200 HD23 -0.02 -0.02 0.01 -0.04 0.89 0.82 3mi9A1 LEU 201 H -0.17 0.32 -0.61 -0.55 8.37 7.36 3mi9A1 LEU 201 HA -0.16 0.11 0.49 -0.75 4.35 4.04 3mi9A1 LEU 201 HB2 -0.66 0.07 0.04 -0.04 1.64 1.05 3mi9A1 LEU 201 HB3 -0.82 -0.10 0.09 -0.04 1.64 0.77 3mi9A1 LEU 201 HG -0.12 0.11 -0.12 -0.04 1.64 1.47 3mi9A1 LEU 201 HD13 -0.50 -0.02 -0.10 -0.04 0.93 0.27 3mi9A1 LEU 201 HD23 -0.06 0.00 -0.18 -0.04 0.89 0.61 3mi9A1 GLY 202 H -0.10 0.55 -0.50 -0.55 8.43 7.84 3mi9A1 GLY 202 HA2 0.00 0.05 0.27 -0.51 4.01 3.82 3mi9A1 GLY 202 HA3 0.01 -0.01 0.60 -0.51 4.01 4.10 3mi9A1 GLU 203 H -0.09 0.43 -0.10 -0.55 8.60 8.31 3mi9A1 GLU 203 HA 0.30 -0.05 0.34 -0.75 4.29 4.13 3mi9A1 GLU 203 HB2 0.24 0.06 0.02 -0.04 2.09 2.37 3mi9A1 GLU 203 HB3 0.14 -0.04 -0.25 -0.04 1.99 1.80 3mi9A1 GLU 203 HG2 0.28 -0.03 -0.20 -0.04 2.34 2.36 3mi9A1 GLU 203 HG3 0.31 -0.12 -0.47 -0.04 2.34 2.02 3mi9A1 ARG 204 H 0.16 0.03 0.22 -0.55 8.46 8.32 3mi9A1 ARG 204 HA 0.32 0.31 0.88 -0.75 4.34 5.10 3mi9A1 ARG 204 HB2 0.05 -0.05 0.13 -0.04 1.90 1.99 3mi9A1 ARG 204 HB3 0.03 -0.12 0.19 -0.04 1.80 1.86 3mi9A1 ARG 204 HG2 0.14 0.16 0.09 -0.04 1.67 2.03 3mi9A1 ARG 204 HG3 0.09 0.06 -0.02 -0.04 1.67 1.76 3mi9A1 ARG 204 HD2 0.05 -0.10 -0.00 -0.04 3.22 3.12 3mi9A1 ARG 204 HD3 0.05 -0.08 -0.05 -0.04 3.22 3.10 3mi9A1 ASP 205 H 0.12 -0.00 -0.01 -0.55 8.40 7.96 3mi9A1 ASP 205 HA -0.30 0.17 0.85 -0.75 4.63 4.60 3mi9A1 ASP 205 HB2 -0.07 0.09 0.12 -0.04 2.71 2.81 3mi9A1 ASP 205 HB3 0.01 -0.05 0.26 -0.04 2.70 2.87 3mi9A1 TYR 206 H -0.40 0.20 -0.33 -0.55 8.29 7.22 3mi9A1 TYR 206 HA 0.05 0.16 0.76 -0.75 4.56 4.79 3mi9A1 TYR 206 HB2 0.01 -0.08 0.06 -0.04 3.06 3.00 3mi9A1 TYR 206 HB3 0.06 -0.00 -0.16 -0.04 2.98 2.84 3mi9A1 TYR 206 HD2 0.04 -0.01 -0.38 -0.04 7.15 6.76 3mi9A1 TYR 206 HE2 0.05 0.11 -0.21 -0.04 6.85 6.75 3mi9A1 GLY 207 H 0.11 0.08 0.11 -0.55 8.43 8.19 3mi9A1 GLY 207 HA2 -0.27 0.21 0.63 -0.51 4.01 4.07 3mi9A1 GLY 207 HA3 -0.16 0.10 0.31 -0.51 4.01 3.75 3mi9A1 PRO 208 HA -0.70 -0.00 0.43 -0.51 4.44 3.66 3mi9A1 PRO 208 HB2 -0.31 0.06 0.05 -0.04 2.28 2.04 3mi9A1 PRO 208 HB3 -1.18 -0.01 0.12 -0.04 2.02 0.91 3mi9A1 PRO 208 HG2 -0.23 0.08 0.06 -0.04 2.03 1.90 3mi9A1 PRO 208 HG3 -0.90 0.09 0.08 -0.04 2.03 1.26 3mi9A1 PRO 208 HD2 -0.29 0.15 0.15 -0.04 3.68 3.65 3mi9A1 PRO 208 HD3 -1.19 0.17 0.13 -0.04 3.65 2.72 3mi9A1 PRO 209 HA 0.01 0.07 0.48 -0.51 4.44 4.49 3mi9A1 PRO 209 HB2 -0.03 -0.05 0.02 -0.04 2.28 2.19 3mi9A1 PRO 209 HB3 -0.01 0.17 0.11 -0.04 2.02 2.24 3mi9A1 PRO 209 HG2 -0.03 0.07 -0.07 -0.04 2.03 1.96 3mi9A1 PRO 209 HG3 -0.03 0.12 -0.03 -0.04 2.03 2.05 3mi9A1 PRO 209 HD2 -0.07 -0.04 -0.29 -0.04 3.68 3.23 3mi9A1 PRO 209 HD3 -0.13 0.13 -0.05 -0.04 3.65 3.55 3mi9A1 ILE 210 H -0.02 0.49 -0.11 -0.55 8.25 8.06 3mi9A1 ILE 210 HA 0.01 0.08 0.49 -0.75 4.18 4.01 3mi9A1 ILE 210 HB -0.09 0.05 0.08 -0.04 1.89 1.89 3mi9A1 ILE 210 HG12 0.02 0.27 0.01 -0.04 1.49 1.74 3mi9A1 ILE 210 HG13 0.02 -0.07 -0.24 -0.04 1.21 0.88 3mi9A1 ILE 210 HG23 -0.13 0.01 0.04 -0.04 0.93 0.81 3mi9A1 ILE 210 HD13 -0.08 -0.00 -0.13 -0.04 0.88 0.63 3mi9A1 ASP 211 H 0.04 0.41 -0.24 -0.55 8.40 8.07 3mi9A1 ASP 211 HA 0.09 0.04 0.61 -0.75 4.63 4.61 3mi9A1 ASP 211 HB2 0.29 0.24 0.20 -0.04 2.71 3.39 3mi9A1 ASP 211 HB3 0.15 -0.00 0.05 -0.04 2.70 2.85 3mi9A1 LEU 212 H 0.11 0.32 -0.01 -0.55 8.37 8.25 3mi9A1 LEU 212 HA 0.09 -0.01 0.49 -0.75 4.35 4.16 3mi9A1 LEU 212 HB2 0.09 0.06 0.16 -0.04 1.64 1.91 3mi9A1 LEU 212 HB3 0.08 0.14 0.03 -0.04 1.64 1.85 3mi9A1 LEU 212 HG 0.13 -0.07 -0.04 -0.04 1.64 1.62 3mi9A1 LEU 212 HD13 0.17 0.02 -0.00 -0.04 0.93 1.07 3mi9A1 LEU 212 HD23 0.10 0.05 -0.19 -0.04 0.89 0.81 3mi9A1 TRP 213 H 0.26 0.41 -0.23 -0.55 7.97 7.86 3mi9A1 TRP 213 HA -0.02 0.26 0.44 -0.75 4.62 4.55 3mi9A1 TRP 213 HB2 -0.04 0.05 0.15 -0.04 3.23 3.35 3mi9A1 TRP 213 HB3 -0.01 0.10 0.17 -0.04 3.23 3.44 3mi9A1 TRP 213 HD1 0.04 0.29 -0.38 -0.04 7.22 7.13 3mi9A1 TRP 213 HE1 -0.01 0.07 -0.41 -0.04 10.20 9.80 3mi9A1 TRP 213 HE3 -0.07 0.15 0.03 -0.04 7.59 7.66 3mi9A1 TRP 213 HZ2 -0.03 -0.00 -0.09 -0.04 7.44 7.28 3mi9A1 TRP 213 HZ3 -0.06 0.00 -0.62 -0.04 7.13 6.40 3mi9A1 TRP 213 HH2 -0.03 0.01 -0.11 -0.04 7.19 7.01 3mi9A1 GLY 214 H 0.25 0.29 -0.26 -0.55 8.43 8.17 3mi9A1 GLY 214 HA2 0.21 0.05 0.34 -0.51 4.01 4.10 3mi9A1 GLY 214 HA3 0.11 0.01 0.28 -0.51 4.01 3.91 3mi9A1 ALA 215 H 0.03 0.39 -0.29 -0.55 8.40 7.99 3mi9A1 ALA 215 HA -0.03 -0.05 0.33 -0.75 4.34 3.84 3mi9A1 ALA 215 HB3 0.01 0.03 0.04 -0.04 1.41 1.45 3mi9A1 GLY 216 H -0.12 0.57 -0.42 -0.55 8.43 7.92 3mi9A1 GLY 216 HA2 -0.14 -0.02 0.46 -0.51 4.01 3.80 3mi9A1 GLY 216 HA3 -0.29 0.15 0.23 -0.51 4.01 3.59 3mi9A1 CYS 217 H -0.29 0.56 -0.01 -0.55 8.50 8.21 3mi9A1 CYS 217 HA -0.25 0.02 0.37 -0.75 4.58 3.96 3mi9A1 CYS 217 HB2 0.12 0.07 0.11 -0.04 2.97 3.23 3mi9A1 CYS 217 HB3 -0.21 -0.12 -0.01 -0.04 2.97 2.60 3mi9A1 ILE 218 H 0.02 0.63 -0.27 -0.55 8.25 8.08 3mi9A1 ILE 218 HA 0.07 -0.06 0.30 -0.75 4.18 3.74 3mi9A1 ILE 218 HB -0.02 0.14 0.02 -0.04 1.89 1.98 3mi9A1 ILE 218 HG12 0.03 -0.18 -0.14 -0.04 1.49 1.16 3mi9A1 ILE 218 HG13 0.10 0.15 -0.09 -0.04 1.21 1.34 3mi9A1 ILE 218 HG23 -0.07 -0.01 -0.25 -0.04 0.93 0.56 3mi9A1 ILE 218 HD13 -0.14 -0.05 -0.28 -0.04 0.88 0.37 3mi9A1 MET 219 H -0.05 0.48 -0.32 -0.55 8.47 8.02 3mi9A1 MET 219 HA -0.07 -0.01 0.30 -0.75 4.52 3.98 3mi9A1 MET 219 HB2 -0.04 0.16 0.14 -0.04 2.15 2.37 3mi9A1 MET 219 HB3 -0.04 0.08 0.13 -0.04 2.03 2.15 3mi9A1 MET 219 HG2 0.26 -0.01 -0.12 -0.04 2.63 2.72 3mi9A1 MET 219 HG3 0.00 -0.04 0.01 -0.04 2.56 2.48 3mi9A1 MET 219 HE3 -0.61 -0.02 -0.02 -0.04 2.10 1.41 3mi9A1 ALA 220 H -0.05 0.53 -0.22 -0.55 8.40 8.12 3mi9A1 ALA 220 HA 0.12 0.01 0.35 -0.75 4.34 4.06 3mi9A1 ALA 220 HB3 -0.12 0.04 0.09 -0.04 1.41 1.38 3mi9A1 GLU 221 H -0.05 0.42 -0.26 -0.55 8.60 8.17 3mi9A1 GLU 221 HA -0.06 -0.05 0.26 -0.75 4.29 3.69 3mi9A1 GLU 221 HB2 -0.04 0.18 -0.05 -0.04 2.09 2.13 3mi9A1 GLU 221 HB3 -0.04 -0.06 -0.17 -0.04 1.99 1.68 3mi9A1 GLU 221 HG2 -0.06 0.08 -0.41 -0.04 2.34 1.91 3mi9A1 GLU 221 HG3 -0.03 0.33 -0.00 -0.04 2.34 2.59 3mi9A1 MET 222 H -0.14 0.46 -0.55 -0.55 8.47 7.70 3mi9A1 MET 222 HA -0.46 -0.01 0.32 -0.75 4.52 3.62 3mi9A1 MET 222 HB2 -0.88 0.19 0.07 -0.04 2.15 1.49 3mi9A1 MET 222 HB3 -0.96 -0.09 0.02 -0.04 2.03 0.96 3mi9A1 MET 222 HG2 -0.27 0.14 0.02 -0.04 2.63 2.47 3mi9A1 MET 222 HG3 -0.41 -0.08 -0.01 -0.04 2.56 2.01 3mi9A1 MET 222 HE3 -0.81 -0.01 -0.05 -0.04 2.10 1.20 3mi9A1 TRP 223 H 0.16 0.45 -0.28 -0.55 7.97 7.75 3mi9A1 TRP 223 HA 0.01 0.20 0.91 -0.75 4.62 4.99 3mi9A1 TRP 223 HB2 -0.03 0.01 0.09 -0.04 3.23 3.25 3mi9A1 TRP 223 HB3 0.09 0.03 -0.18 -0.04 3.23 3.13 3mi9A1 TRP 223 HD1 0.04 0.12 0.07 -0.04 7.22 7.41 3mi9A1 TRP 223 HE1 0.04 -0.08 0.06 -0.04 10.20 10.18 3mi9A1 TRP 223 HE3 -0.11 0.15 0.02 -0.04 7.59 7.61 3mi9A1 TRP 223 HZ2 0.11 -0.06 -0.00 -0.04 7.44 7.45 3mi9A1 TRP 223 HZ3 -0.21 -0.03 -0.13 -0.04 7.13 6.72 3mi9A1 TRP 223 HH2 -0.26 -0.07 -0.06 -0.04 7.19 6.77 3mi9A1 THR 224 H 0.09 0.37 0.13 -0.55 8.28 8.32 3mi9A1 THR 224 HA 0.11 0.07 0.33 -0.75 4.39 4.15 3mi9A1 THR 224 HB -0.30 0.02 0.02 -0.04 4.32 4.02 3mi9A1 THR 224 HG23 -0.63 0.01 0.01 -0.04 1.22 0.57 3mi9A1 ARG 225 H -0.02 0.46 -0.21 -0.55 8.46 8.13 3mi9A1 ARG 225 HA -0.02 0.07 0.20 -0.75 4.34 3.83 3mi9A1 ARG 225 HB2 0.06 0.26 0.17 -0.04 1.90 2.35 3mi9A1 ARG 225 HB3 0.04 0.01 0.18 -0.04 1.80 1.99 3mi9A1 ARG 225 HG2 0.07 0.17 -0.38 -0.04 1.67 1.49 3mi9A1 ARG 225 HG3 0.07 -0.07 -0.05 -0.04 1.67 1.58 3mi9A1 ARG 225 HD2 0.05 0.41 0.09 -0.04 3.22 3.74 3mi9A1 ARG 225 HD3 -0.02 -0.06 -0.05 -0.04 3.22 3.06 3mi9A1 SER 226 H -0.05 0.17 -0.34 -0.55 8.46 7.69 3mi9A1 SER 226 HA 0.02 0.03 0.35 -0.75 4.49 4.13 3mi9A1 SER 226 HB2 -0.02 -0.06 0.01 -0.04 3.95 3.84 3mi9A1 SER 226 HB3 0.01 0.17 -0.05 -0.04 3.93 4.01 3mi9A1 PRO 227 HA -0.13 -0.03 0.34 -0.51 4.44 4.11 3mi9A1 PRO 227 HB2 -0.33 0.03 -0.04 -0.04 2.28 1.90 3mi9A1 PRO 227 HB3 -0.09 0.02 -0.05 -0.04 2.02 1.86 3mi9A1 PRO 227 HG2 0.51 0.02 0.02 -0.04 2.03 2.54 3mi9A1 PRO 227 HG3 0.26 -0.04 0.02 -0.04 2.03 2.22 3mi9A1 PRO 227 HD2 0.06 0.15 0.12 -0.04 3.68 3.97 3mi9A1 PRO 227 HD3 0.10 0.14 0.11 -0.04 3.65 3.96 3mi9A1 ILE 228 H -0.21 0.10 0.14 -0.55 8.25 7.73 3mi9A1 ILE 228 HA -0.22 0.20 0.47 -0.75 4.18 3.88 3mi9A1 ILE 228 HB -0.19 0.02 0.05 -0.04 1.89 1.72 3mi9A1 ILE 228 HG12 -0.21 -0.05 0.10 -0.04 1.49 1.29 3mi9A1 ILE 228 HG13 -0.20 0.05 -0.19 -0.04 1.21 0.83 3mi9A1 ILE 228 HG23 -0.20 0.01 -0.01 -0.04 0.93 0.69 3mi9A1 ILE 228 HD13 -0.21 0.00 -0.05 -0.04 0.88 0.59 3mi9A1 MET 229 H -0.31 0.10 -0.22 -0.55 8.47 7.49 3mi9A1 MET 229 HA -0.27 0.18 0.79 -0.75 4.52 4.47 3mi9A1 MET 229 HB2 -0.11 0.11 0.15 -0.04 2.15 2.26 3mi9A1 MET 229 HB3 -0.11 -0.05 -0.01 -0.04 2.03 1.82 3mi9A1 MET 229 HG2 -0.11 0.12 -0.21 -0.04 2.63 2.40 3mi9A1 MET 229 HG3 -0.14 -0.11 -0.40 -0.04 2.56 1.88 3mi9A1 MET 229 HE3 0.11 0.01 -0.07 -0.04 2.10 2.10 3mi9A1 GLN 230 H -0.55 0.26 -0.16 -0.55 8.47 7.48 3mi9A1 GLN 230 HA -2.52 0.10 0.72 -0.75 4.36 1.91 3mi9A1 GLN 230 HB2 -0.71 0.01 0.11 -0.04 2.15 1.52 3mi9A1 GLN 230 HB3 -1.63 0.01 0.04 -0.04 2.02 0.39 3mi9A1 GLN 230 HG2 -2.06 -0.07 -0.17 -0.04 2.40 0.06 3mi9A1 GLN 230 HG3 -0.81 0.09 -0.27 -0.04 2.39 1.36 3mi9A1 GLN 230 HE21 -0.21 -0.04 -0.06 -0.04 6.97 6.62 3mi9A1 GLN 230 HE22 -0.35 0.51 -0.06 -0.04 7.69 7.75 3mi9A1 GLY 231 H -0.24 0.27 -0.17 -0.55 8.43 7.75 3mi9A1 GLY 231 HA2 -0.78 0.03 0.25 -0.51 4.01 3.00 3mi9A1 GLY 231 HA3 -0.15 0.02 0.14 -0.51 4.01 3.50 3mi9A1 ASN 232 H 0.48 0.04 0.16 -0.55 8.53 8.66 3mi9A1 ASN 232 HA 0.25 0.21 0.66 -0.75 4.76 5.13 3mi9A1 ASN 232 HB2 0.31 -0.09 0.10 -0.04 2.88 3.16 3mi9A1 ASN 232 HB3 0.15 0.02 0.05 -0.04 2.79 2.97 3mi9A1 ASN 232 HD21 0.15 0.03 -0.02 -0.04 7.03 7.15 3mi9A1 ASN 232 HD22 0.18 0.00 0.03 -0.04 7.74 7.91 3mi9A1 THR 233 H 0.21 0.01 0.10 -0.55 8.28 8.05 3mi9A1 THR 233 HA 0.08 0.30 0.69 -0.75 4.39 4.72 3mi9A1 THR 233 HB 0.06 0.00 0.18 -0.04 4.32 4.52 3mi9A1 THR 233 HG23 0.07 0.04 -0.20 -0.04 1.22 1.09 3mi9A1 GLU 234 H 0.04 0.26 0.16 -0.55 8.60 8.52 3mi9A1 GLU 234 HA 0.04 0.14 0.43 -0.75 4.29 4.15 3mi9A1 GLU 234 HB2 0.02 -0.03 0.17 -0.04 2.09 2.21 3mi9A1 GLU 234 HB3 0.01 0.15 0.06 -0.04 1.99 2.16 3mi9A1 GLU 234 HG2 0.01 0.05 0.04 -0.04 2.34 2.40 3mi9A1 GLU 234 HG3 0.02 -0.07 0.08 -0.04 2.34 2.32 3mi9A1 GLN 235 H 0.05 0.08 -0.08 -0.55 8.47 7.97 3mi9A1 GLN 235 HA 0.03 0.22 0.41 -0.75 4.36 4.26 3mi9A1 GLN 235 HB2 0.02 0.07 0.12 -0.04 2.15 2.31 3mi9A1 GLN 235 HB3 0.04 -0.08 0.06 -0.04 2.02 2.00 3mi9A1 GLN 235 HG2 0.02 -0.03 -0.15 -0.04 2.40 2.21 3mi9A1 GLN 235 HG3 0.01 0.13 0.10 -0.04 2.39 2.59 3mi9A1 GLN 235 HE21 -0.01 0.03 0.01 -0.04 6.97 6.97 3mi9A1 GLN 235 HE22 -0.00 -0.02 -0.03 -0.04 7.69 7.60 3mi9A1 HIS 236 H 0.15 -0.02 -0.37 -0.55 8.41 7.63 3mi9A1 HIS 236 HA 0.01 0.14 0.50 -0.75 4.63 4.52 3mi9A1 HIS 236 HB2 0.02 0.07 0.10 -0.04 3.26 3.42 3mi9A1 HIS 236 HB3 0.04 -0.27 0.21 -0.04 3.20 3.14 3mi9A1 HIS 236 HD2 -0.00 -0.02 0.11 -0.04 6.97 7.01 3mi9A1 HIS 236 HE1 -0.02 0.15 0.00 -0.04 7.75 7.84 3mi9A1 GLN 237 H 0.06 0.65 -0.07 -0.55 8.47 8.56 3mi9A1 GLN 237 HA -0.10 -0.04 0.35 -0.75 4.36 3.82 3mi9A1 GLN 237 HB2 0.06 -0.02 0.03 -0.04 2.15 2.17 3mi9A1 GLN 237 HB3 0.03 0.14 0.10 -0.04 2.02 2.25 3mi9A1 GLN 237 HG2 0.09 0.15 -0.04 -0.04 2.40 2.55 3mi9A1 GLN 237 HG3 0.05 0.04 -0.12 -0.04 2.39 2.32 3mi9A1 GLN 237 HE21 -0.03 0.19 0.04 -0.04 6.97 7.13 3mi9A1 GLN 237 HE22 0.09 0.03 -0.02 -0.04 7.69 7.75 3mi9A1 LEU 238 H 0.03 0.47 -0.24 -0.55 8.37 8.09 3mi9A1 LEU 238 HA 0.02 0.06 0.40 -0.75 4.35 4.07 3mi9A1 LEU 238 HB2 0.02 0.10 0.13 -0.04 1.64 1.85 3mi9A1 LEU 238 HB3 0.02 -0.01 -0.00 -0.04 1.64 1.61 3mi9A1 LEU 238 HG -0.01 -0.01 0.03 -0.04 1.64 1.61 3mi9A1 LEU 238 HD13 -0.01 0.02 -0.11 -0.04 0.93 0.79 3mi9A1 LEU 238 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.78 3mi9A1 ALA 239 H 0.06 0.27 -0.40 -0.55 8.40 7.78 3mi9A1 ALA 239 HA 0.05 -0.02 0.42 -0.75 4.34 4.03 3mi9A1 ALA 239 HB3 0.13 0.07 0.16 -0.04 1.41 1.72 3mi9A1 LEU 240 H 0.01 0.51 -0.08 -0.55 8.37 8.25 3mi9A1 LEU 240 HA 0.01 0.01 0.38 -0.75 4.35 3.99 3mi9A1 LEU 240 HB2 -0.09 0.12 0.03 -0.04 1.64 1.66 3mi9A1 LEU 240 HB3 -0.08 0.02 0.01 -0.04 1.64 1.55 3mi9A1 LEU 240 HG -0.13 0.10 0.03 -0.04 1.64 1.59 3mi9A1 LEU 240 HD13 -0.42 -0.02 -0.25 -0.04 0.93 0.19 3mi9A1 LEU 240 HD23 0.00 0.00 -0.04 -0.04 0.89 0.82 3mi9A1 ILE 241 H 0.04 0.41 -0.35 -0.55 8.25 7.81 3mi9A1 ILE 241 HA 0.14 0.05 0.45 -0.75 4.18 4.06 3mi9A1 ILE 241 HB 0.07 0.10 0.13 -0.04 1.89 2.14 3mi9A1 ILE 241 HG12 0.41 -0.03 -0.03 -0.04 1.49 1.80 3mi9A1 ILE 241 HG13 0.12 0.01 0.00 -0.04 1.21 1.30 3mi9A1 ILE 241 HG23 0.16 -0.01 -0.14 -0.04 0.93 0.91 3mi9A1 ILE 241 HD13 0.00 -0.01 -0.13 -0.04 0.88 0.71 3mi9A1 SER 242 H 0.06 0.52 -0.18 -0.55 8.46 8.30 3mi9A1 SER 242 HA 0.08 0.25 0.18 -0.75 4.49 4.24 3mi9A1 SER 242 HB2 0.04 0.12 0.15 -0.04 3.95 4.22 3mi9A1 SER 242 HB3 0.05 -0.12 -0.05 -0.04 3.93 3.76 3mi9A1 GLN 243 H 0.04 0.57 -0.11 -0.55 8.47 8.41 3mi9A1 GLN 243 HA 0.02 -0.05 0.31 -0.75 4.36 3.89 3mi9A1 GLN 243 HB2 0.01 0.06 0.12 -0.04 2.15 2.31 3mi9A1 GLN 243 HB3 0.01 -0.02 -0.01 -0.04 2.02 1.95 3mi9A1 GLN 243 HG2 0.02 -0.07 0.00 -0.04 2.40 2.31 3mi9A1 GLN 243 HG3 0.03 0.11 0.02 -0.04 2.39 2.51 3mi9A1 GLN 243 HE21 0.05 -0.03 -0.08 -0.04 6.97 6.86 3mi9A1 GLN 243 HE22 0.04 -0.03 -0.08 -0.04 7.69 7.58 3mi9A1 LEU 244 H 0.03 0.33 -0.44 -0.55 8.37 7.74 3mi9A1 LEU 244 HA -0.00 0.13 0.87 -0.75 4.35 4.59 3mi9A1 LEU 244 HB2 -0.03 -0.01 -0.00 -0.04 1.64 1.56 3mi9A1 LEU 244 HB3 0.01 0.11 0.11 -0.04 1.64 1.83 3mi9A1 LEU 244 HG -0.03 -0.01 -0.36 -0.04 1.64 1.20 3mi9A1 LEU 244 HD13 -0.06 -0.02 -0.06 -0.04 0.93 0.75 3mi9A1 LEU 244 HD23 -0.09 0.00 -0.09 -0.04 0.89 0.67 3mi9A1 CYS 245 H 0.07 0.83 0.09 -0.55 8.50 8.95 3mi9A1 CYS 245 HA 0.04 0.01 0.94 -0.75 4.58 4.83 3mi9A1 CYS 245 HB2 0.17 0.17 0.08 -0.04 2.97 3.35 3mi9A1 CYS 245 HB3 0.15 -0.06 0.12 -0.04 2.97 3.14 3mi9A1 GLY 246 H 0.06 0.41 -0.18 -0.55 8.43 8.17 3mi9A1 GLY 246 HA2 0.05 -0.08 -0.37 -0.51 4.01 3.10 3mi9A1 GLY 246 HA3 0.06 0.10 0.68 -0.51 4.01 4.34 3mi9A1 SER 247 H 0.05 0.40 -0.01 -0.55 8.46 8.36 3mi9A1 SER 247 HA 0.07 -0.02 0.35 -0.75 4.49 4.13 3mi9A1 SER 247 HB2 0.05 0.12 -0.01 -0.04 3.95 4.07 3mi9A1 SER 247 HB3 0.06 0.07 -0.02 -0.04 3.93 4.00 3mi9A1 ILE 248 H 0.10 0.17 0.12 -0.55 8.25 8.09 3mi9A1 ILE 248 HA 0.21 0.10 0.65 -0.75 4.18 4.38 3mi9A1 ILE 248 HB 0.16 0.02 0.17 -0.04 1.89 2.20 3mi9A1 ILE 248 HG12 0.25 0.01 -0.07 -0.04 1.49 1.64 3mi9A1 ILE 248 HG13 0.14 0.00 -0.02 -0.04 1.21 1.29 3mi9A1 ILE 248 HG23 0.18 -0.01 -0.15 -0.04 0.93 0.91 3mi9A1 ILE 248 HD13 0.12 -0.00 -0.03 -0.04 0.88 0.92 3mi9A1 THR 249 H 0.16 0.24 0.17 -0.55 8.28 8.30 3mi9A1 THR 249 HA 0.18 0.33 0.95 -0.75 4.39 5.10 3mi9A1 THR 249 HB 0.09 0.04 0.10 -0.04 4.32 4.50 3mi9A1 THR 249 HG23 0.08 0.07 -0.28 -0.04 1.22 1.06 3mi9A1 PRO 250 HA -0.05 0.26 0.25 -0.51 4.44 4.39 3mi9A1 PRO 250 HB2 -0.00 0.08 0.01 -0.04 2.28 2.33 3mi9A1 PRO 250 HB3 -0.07 -0.13 0.16 -0.04 2.02 1.93 3mi9A1 PRO 250 HG2 0.00 0.09 0.06 -0.04 2.03 2.15 3mi9A1 PRO 250 HG3 -0.25 -0.01 0.01 -0.04 2.03 1.75 3mi9A1 PRO 250 HD2 0.07 0.14 0.18 -0.04 3.68 4.03 3mi9A1 PRO 250 HD3 0.15 0.29 0.19 -0.04 3.65 4.23 3mi9A1 GLU 251 H 0.07 0.02 -0.72 -0.55 8.60 7.42 3mi9A1 GLU 251 HA 0.05 0.13 0.49 -0.75 4.29 4.20 3mi9A1 GLU 251 HB2 0.05 -0.03 0.02 -0.04 2.09 2.09 3mi9A1 GLU 251 HB3 0.06 0.04 -0.02 -0.04 1.99 2.03 3mi9A1 GLU 251 HG2 0.04 0.04 -0.05 -0.04 2.34 2.33 3mi9A1 GLU 251 HG3 0.04 -0.01 0.03 -0.04 2.34 2.36 3mi9A1 VAL 252 H 0.12 0.19 -0.05 -0.55 8.24 7.94 3mi9A1 VAL 252 HA 0.09 0.20 0.80 -0.75 4.13 4.47 3mi9A1 VAL 252 HB 0.09 -0.01 0.05 -0.04 2.12 2.21 3mi9A1 VAL 252 HG13 0.18 0.01 0.02 -0.04 0.97 1.14 3mi9A1 VAL 252 HG23 0.08 -0.00 0.10 -0.04 0.95 1.08 3mi9A1 TRP 253 H 0.22 0.18 -0.22 -0.55 7.97 7.61 3mi9A1 TRP 253 HA 0.01 0.17 0.73 -0.75 4.62 4.78 3mi9A1 TRP 253 HB2 0.01 -0.02 -0.22 -0.04 3.23 2.97 3mi9A1 TRP 253 HB3 -0.01 0.02 0.01 -0.04 3.23 3.21 3mi9A1 TRP 253 HD1 -0.00 0.18 -0.37 -0.04 7.22 6.98 3mi9A1 TRP 253 HE1 0.07 0.03 -0.09 -0.04 10.20 10.17 3mi9A1 TRP 253 HE3 -0.00 -0.02 -0.18 -0.04 7.59 7.35 3mi9A1 TRP 253 HZ2 0.22 -0.02 -0.01 -0.04 7.44 7.59 3mi9A1 TRP 253 HZ3 -0.11 -0.01 -0.17 -0.04 7.13 6.81 3mi9A1 TRP 253 HH2 -0.19 -0.08 -0.25 -0.04 7.19 6.63 3mi9A1 PRO 254 HA 0.04 0.03 0.52 -0.51 4.44 4.51 3mi9A1 PRO 254 HB2 0.06 0.01 0.00 -0.04 2.28 2.31 3mi9A1 PRO 254 HB3 0.06 0.08 0.10 -0.04 2.02 2.22 3mi9A1 PRO 254 HG2 0.14 -0.01 0.05 -0.04 2.03 2.17 3mi9A1 PRO 254 HG3 0.08 0.07 0.02 -0.04 2.03 2.15 3mi9A1 PRO 254 HD2 0.19 0.14 -0.01 -0.04 3.68 3.95 3mi9A1 PRO 254 HD3 0.12 0.22 -0.20 -0.04 3.65 3.75 3mi9A1 ASN 255 H -0.07 0.12 0.27 -0.55 8.53 8.31 3mi9A1 ASN 255 HA -0.14 -0.04 0.42 -0.75 4.76 4.24 3mi9A1 ASN 255 HB2 -0.03 0.07 -0.49 -0.04 2.88 2.39 3mi9A1 ASN 255 HB3 -0.12 0.06 0.20 -0.04 2.79 2.89 3mi9A1 ASN 255 HD21 -0.06 0.00 0.02 -0.04 7.03 6.95 3mi9A1 ASN 255 HD22 -0.06 0.06 0.01 -0.04 7.74 7.71 3mi9A1 VAL 256 H -0.38 0.49 -0.10 -0.55 8.24 7.70 3mi9A1 VAL 256 HA -0.84 0.07 0.32 -0.75 4.13 2.93 3mi9A1 VAL 256 HB -1.64 0.10 -0.02 -0.04 2.12 0.51 3mi9A1 VAL 256 HG13 -0.65 -0.02 -0.32 -0.04 0.97 -0.06 3mi9A1 VAL 256 HG23 -1.30 -0.00 -0.07 -0.04 0.95 -0.46 3mi9A1 ASP 257 H -0.41 -0.13 -0.60 -0.55 8.40 6.72 3mi9A1 ASP 257 HA -0.50 0.10 0.29 -0.75 4.63 3.76 3mi9A1 ASP 257 HB2 -0.15 -0.06 0.04 -0.04 2.71 2.49 3mi9A1 ASP 257 HB3 -0.06 0.06 -0.05 -0.04 2.70 2.61 3mi9A1 ASN 258 H -0.25 0.21 -0.16 -0.55 8.53 7.78 3mi9A1 ASN 258 HA -0.09 0.02 0.30 -0.75 4.76 4.23 3mi9A1 ASN 258 HB2 -0.30 0.13 0.06 -0.04 2.88 2.73 3mi9A1 ASN 258 HB3 -0.17 -0.03 0.02 -0.04 2.79 2.57 3mi9A1 ASN 258 HD21 -0.07 -0.03 0.02 -0.04 7.03 6.91 3mi9A1 ASN 258 HD22 -0.09 0.01 0.03 -0.04 7.74 7.65 3mi9A1 TYR 259 H -0.29 0.26 -0.49 -0.55 8.29 7.23 3mi9A1 TYR 259 HA -0.06 -0.04 0.39 -0.75 4.56 4.10 3mi9A1 TYR 259 HB2 -0.17 0.17 0.10 -0.04 3.06 3.12 3mi9A1 TYR 259 HB3 -0.05 0.02 0.03 -0.04 2.98 2.93 3mi9A1 TYR 259 HD2 -0.34 0.09 0.04 -0.04 7.15 6.90 3mi9A1 TYR 259 HE2 -0.23 -0.08 -0.05 -0.04 6.85 6.45 3mi9A1 GLU 260 H 0.12 0.13 0.24 -0.55 8.60 8.54 3mi9A1 GLU 260 HA 0.05 0.10 0.46 -0.75 4.29 4.14 3mi9A1 GLU 260 HB2 0.06 0.03 0.22 -0.04 2.09 2.36 3mi9A1 GLU 260 HB3 0.05 -0.01 0.09 -0.04 1.99 2.08 3mi9A1 GLU 260 HG2 0.02 -0.00 0.04 -0.04 2.34 2.36 3mi9A1 GLU 260 HG3 0.02 -0.03 0.04 -0.04 2.34 2.32 3mi9A1 LEU 261 H 0.07 0.19 -0.09 -0.55 8.37 8.00 3mi9A1 LEU 261 HA 0.02 -0.00 0.30 -0.75 4.35 3.91 3mi9A1 LEU 261 HB2 -0.01 0.13 -0.11 -0.04 1.64 1.60 3mi9A1 LEU 261 HB3 -0.01 0.00 -0.02 -0.04 1.64 1.57 3mi9A1 LEU 261 HG 0.03 -0.06 -0.02 -0.04 1.64 1.55 3mi9A1 LEU 261 HD13 -0.02 0.00 -0.24 -0.04 0.93 0.63 3mi9A1 LEU 261 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.77 3mi9A1 TYR 262 H 0.18 0.42 -0.85 -0.55 8.29 7.48 3mi9A1 TYR 262 HA -0.07 0.02 0.29 -0.75 4.56 4.04 3mi9A1 TYR 262 HB2 -0.01 0.01 0.09 -0.04 3.06 3.12 3mi9A1 TYR 262 HB3 -0.03 0.13 0.07 -0.04 2.98 3.10 3mi9A1 TYR 262 HD2 -0.10 0.01 -0.02 -0.04 7.15 7.00 3mi9A1 TYR 262 HE2 -0.08 -0.01 -0.03 -0.04 6.85 6.69 3mi9A1 GLU 263 H 0.04 0.27 -0.20 -0.55 8.60 8.16 3mi9A1 GLU 263 HA -0.17 0.12 0.63 -0.75 4.29 4.12 3mi9A1 GLU 263 HB2 0.00 0.04 0.09 -0.04 2.09 2.19 3mi9A1 GLU 263 HB3 -0.01 -0.04 0.19 -0.04 1.99 2.09 3mi9A1 GLU 263 HG2 -0.06 -0.01 0.02 -0.04 2.34 2.25 3mi9A1 GLU 263 HG3 -0.02 -0.03 0.01 -0.04 2.34 2.26 3mi9A1 LYS 264 H -0.02 0.18 0.03 -0.55 8.42 8.06 3mi9A1 LYS 264 HA -0.03 0.01 0.24 -0.75 4.32 3.79 3mi9A1 LYS 264 HB2 -0.01 0.02 0.03 -0.04 1.87 1.88 3mi9A1 LYS 264 HB3 -0.01 -0.04 0.17 -0.04 1.79 1.87 3mi9A1 LYS 264 HG2 -0.01 -0.03 0.04 -0.04 1.46 1.43 3mi9A1 LYS 264 HG3 -0.00 0.04 0.11 -0.04 1.46 1.57 3mi9A1 LYS 264 HD2 0.01 0.01 -0.04 -0.04 1.69 1.62 3mi9A1 LYS 264 HD3 -0.00 -0.03 0.01 -0.04 1.68 1.62 3mi9A1 LYS 264 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 3mi9A1 LYS 264 HE3 0.00 0.05 0.03 -0.04 2.99 3.03 3mi9A1 LEU 265 H -0.08 0.53 -1.06 -0.55 8.37 7.21 3mi9A1 LEU 265 HA -0.03 0.02 0.98 -0.75 4.35 4.56 3mi9A1 LEU 265 HB2 -0.06 0.26 -0.07 -0.04 1.64 1.73 3mi9A1 LEU 265 HB3 -0.04 -0.01 -0.13 -0.04 1.64 1.43 3mi9A1 LEU 265 HG -0.02 -0.08 -0.30 -0.04 1.64 1.20 3mi9A1 LEU 265 HD13 -0.03 0.01 -0.12 -0.04 0.93 0.76 3mi9A1 LEU 265 HD23 -0.01 -0.03 0.03 -0.04 0.89 0.84 3mi9A1 GLU 266 H -0.03 0.04 0.11 -0.55 8.60 8.18 3mi9A1 GLU 266 HA -0.04 0.03 0.42 -0.75 4.29 3.94 3mi9A1 GLU 266 HB2 -0.02 0.01 0.11 -0.04 2.09 2.14 3mi9A1 GLU 266 HB3 -0.01 -0.05 0.16 -0.04 1.99 2.05 3mi9A1 GLU 266 HG2 -0.02 -0.01 -0.06 -0.04 2.34 2.21 3mi9A1 GLU 266 HG3 -0.01 -0.03 -0.03 -0.04 2.34 2.23 3mi9A1 LEU 267 H -0.06 0.13 0.13 -0.55 8.37 8.03 3mi9A1 LEU 267 HA -0.02 0.04 0.74 -0.75 4.35 4.35 3mi9A1 LEU 267 HB2 -0.13 0.30 -0.18 -0.04 1.64 1.59 3mi9A1 LEU 267 HB3 -0.12 -0.03 0.11 -0.04 1.64 1.56 3mi9A1 LEU 267 HG -0.02 0.01 0.01 -0.04 1.64 1.60 3mi9A1 LEU 267 HD13 -0.08 0.02 -0.02 -0.04 0.93 0.82 3mi9A1 LEU 267 HD23 0.03 -0.01 0.00 -0.04 0.89 0.87 3mi9A1 VAL 268 H -0.00 0.12 0.06 -0.55 8.24 7.87 3mi9A1 VAL 268 HA -0.01 -0.01 0.41 -0.75 4.13 3.76 3mi9A1 VAL 268 HB 0.01 0.03 0.11 -0.04 2.12 2.23 3mi9A1 VAL 268 HG13 0.02 0.02 0.04 -0.04 0.97 1.01 3mi9A1 VAL 268 HG23 0.01 -0.03 -0.10 -0.04 0.95 0.79 3mi9A1 LYS 269 H -0.00 0.05 0.24 -0.55 8.42 8.15 3mi9A1 LYS 269 HA 0.02 0.26 0.90 -0.75 4.32 4.74 3mi9A1 LYS 269 HB2 -0.02 0.14 0.08 -0.04 1.87 2.03 3mi9A1 LYS 269 HB3 -0.00 -0.06 0.11 -0.04 1.79 1.80 3mi9A1 LYS 269 HG2 0.00 -0.02 0.00 -0.04 1.46 1.41 3mi9A1 LYS 269 HG3 0.02 -0.01 -0.02 -0.04 1.46 1.41 3mi9A1 LYS 269 HD2 0.03 0.03 0.05 -0.04 1.69 1.75 3mi9A1 LYS 269 HD3 0.00 0.06 0.02 -0.04 1.68 1.72 3mi9A1 LYS 269 HE2 0.02 -0.01 0.01 -0.04 2.99 2.97 3mi9A1 LYS 269 HE3 0.03 -0.02 0.02 -0.04 2.99 2.98 3mi9A1 GLY 270 H 0.01 0.01 0.05 -0.55 8.43 7.96 3mi9A1 GLY 270 HA2 0.02 0.24 0.69 -0.51 4.01 4.45 3mi9A1 GLY 270 HA3 0.01 -0.01 0.32 -0.51 4.01 3.83 3mi9A1 GLN 271 H 0.02 0.04 -0.32 -0.55 8.47 7.66 3mi9A1 GLN 271 HA 0.02 0.07 0.39 -0.75 4.36 4.08 3mi9A1 GLN 271 HB2 0.04 -0.13 -0.04 -0.04 2.15 1.98 3mi9A1 GLN 271 HB3 0.03 0.30 -0.14 -0.04 2.02 2.18 3mi9A1 GLN 271 HG2 0.02 -0.21 -0.13 -0.04 2.40 2.04 3mi9A1 GLN 271 HG3 0.03 0.02 -0.22 -0.04 2.39 2.17 3mi9A1 GLN 271 HE21 0.01 0.02 -0.03 -0.04 6.97 6.94 3mi9A1 GLN 271 HE22 0.02 0.01 -0.02 -0.04 7.69 7.65 3mi9A1 LYS 272 H 0.02 0.18 0.18 -0.55 8.42 8.25 3mi9A1 LYS 272 HA 0.03 0.14 0.85 -0.75 4.32 4.59 3mi9A1 LYS 272 HB2 0.01 -0.01 0.02 -0.04 1.87 1.86 3mi9A1 LYS 272 HB3 0.01 0.02 0.05 -0.04 1.79 1.83 3mi9A1 LYS 272 HG2 0.02 0.03 -0.07 -0.04 1.46 1.40 3mi9A1 LYS 272 HG3 0.02 0.06 -0.03 -0.04 1.46 1.46 3mi9A1 LYS 272 HD2 0.01 -0.02 0.01 -0.04 1.69 1.64 3mi9A1 LYS 272 HD3 0.01 -0.01 0.00 -0.04 1.68 1.64 3mi9A1 LYS 272 HE2 0.01 -0.00 -0.01 -0.04 2.99 2.95 3mi9A1 LYS 272 HE3 0.01 0.05 0.02 -0.04 2.99 3.02 3mi9A1 ARG 273 H 0.03 0.11 0.11 -0.55 8.46 8.16 3mi9A1 ARG 273 HA 0.03 0.05 -0.18 -0.75 4.34 3.49 3mi9A1 ARG 273 HB2 0.03 0.10 0.21 -0.04 1.90 2.20 3mi9A1 ARG 273 HB3 0.02 -0.11 0.19 -0.04 1.80 1.85 3mi9A1 ARG 273 HG2 0.00 -0.31 0.00 -0.04 1.67 1.32 3mi9A1 ARG 273 HG3 0.03 0.25 0.26 -0.04 1.67 2.17 3mi9A1 ARG 273 HD2 0.03 0.04 0.14 -0.04 3.22 3.39 3mi9A1 ARG 273 HD3 0.01 -0.11 0.07 -0.04 3.22 3.15 3mi9A1 LYS 274 H 0.00 0.58 0.16 -0.55 8.42 8.61 3mi9A1 LYS 274 HA -0.01 0.08 0.86 -0.75 4.32 4.50 3mi9A1 LYS 274 HB2 -0.01 0.11 0.19 -0.04 1.87 2.12 3mi9A1 LYS 274 HB3 -0.01 -0.15 0.21 -0.04 1.79 1.79 3mi9A1 LYS 274 HG2 -0.00 -0.11 -0.09 -0.04 1.46 1.21 3mi9A1 LYS 274 HG3 0.01 0.34 -0.19 -0.04 1.46 1.58 3mi9A1 LYS 274 HD2 0.00 0.38 0.22 -0.04 1.69 2.26 3mi9A1 LYS 274 HD3 -0.00 -0.15 0.07 -0.04 1.68 1.56 3mi9A1 LYS 274 HE2 0.01 -0.16 0.06 -0.04 2.99 2.86 3mi9A1 LYS 274 HE3 0.01 0.27 0.13 -0.04 2.99 3.36 3mi9A1 VAL 275 H -0.02 0.18 0.01 -0.55 8.24 7.87 3mi9A1 VAL 275 HA -0.06 0.08 0.36 -0.75 4.13 3.76 3mi9A1 VAL 275 HB -0.04 -0.06 0.13 -0.04 2.12 2.10 3mi9A1 VAL 275 HG13 -0.10 0.01 -0.21 -0.04 0.97 0.62 3mi9A1 VAL 275 HG23 -0.04 0.06 0.08 -0.04 0.95 1.01 3mi9A1 LYS 276 H -0.05 0.13 -0.11 -0.55 8.42 7.84 3mi9A1 LYS 276 HA -0.09 0.11 0.45 -0.75 4.32 4.03 3mi9A1 LYS 276 HB2 -0.05 0.00 0.04 -0.04 1.87 1.82 3mi9A1 LYS 276 HB3 -0.07 0.01 -0.03 -0.04 1.79 1.67 3mi9A1 LYS 276 HG2 -0.10 0.05 -0.06 -0.04 1.46 1.32 3mi9A1 LYS 276 HG3 -0.06 -0.02 -0.01 -0.04 1.46 1.32 3mi9A1 LYS 276 HD2 -0.06 -0.02 -0.07 -0.04 1.69 1.50 3mi9A1 LYS 276 HD3 -0.05 0.04 -0.12 -0.04 1.68 1.51 3mi9A1 LYS 276 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.94 3mi9A1 LYS 276 HE3 -0.03 -0.02 -0.02 -0.04 2.99 2.88 3mi9A1 ASP 277 H -0.04 0.11 -0.24 -0.55 8.40 7.69 3mi9A1 ASP 277 HA -0.03 0.05 0.46 -0.75 4.63 4.36 3mi9A1 ASP 277 HB2 -0.02 0.08 0.18 -0.04 2.71 2.91 3mi9A1 ASP 277 HB3 -0.02 0.02 0.03 -0.04 2.70 2.68 3mi9A1 ARG 278 H -0.03 0.60 0.03 -0.55 8.46 8.51 3mi9A1 ARG 278 HA 0.02 0.02 0.39 -0.75 4.34 4.01 3mi9A1 ARG 278 HB2 -0.04 0.13 0.11 -0.04 1.90 2.06 3mi9A1 ARG 278 HB3 -0.03 -0.02 0.02 -0.04 1.80 1.73 3mi9A1 ARG 278 HG2 -0.01 -0.05 0.06 -0.04 1.67 1.63 3mi9A1 ARG 278 HG3 -0.02 0.02 0.12 -0.04 1.67 1.76 3mi9A1 ARG 278 HD2 -0.02 -0.00 0.01 -0.04 3.22 3.17 3mi9A1 ARG 278 HD3 -0.03 0.02 -0.00 -0.04 3.22 3.17 3mi9A1 LEU 279 H -0.05 0.35 -0.32 -0.55 8.37 7.80 3mi9A1 LEU 279 HA 0.03 0.13 0.69 -0.75 4.35 4.44 3mi9A1 LEU 279 HB2 -0.13 0.07 0.05 -0.04 1.64 1.60 3mi9A1 LEU 279 HB3 -0.15 -0.10 0.09 -0.04 1.64 1.44 3mi9A1 LEU 279 HG -0.12 0.13 0.03 -0.04 1.64 1.63 3mi9A1 LEU 279 HD13 -0.15 -0.02 -0.04 -0.04 0.93 0.68 3mi9A1 LEU 279 HD23 -0.20 0.00 -0.05 -0.04 0.89 0.60 3mi9A1 LYS 280 H -0.03 0.36 -0.35 -0.55 8.42 7.85 3mi9A1 LYS 280 HA -0.10 -0.08 0.37 -0.75 4.32 3.76 3mi9A1 LYS 280 HB2 -0.05 0.16 0.32 -0.04 1.87 2.27 3mi9A1 LYS 280 HB3 -0.03 0.03 0.22 -0.04 1.79 1.97 3mi9A1 LYS 280 HG2 -0.06 -0.00 -0.18 -0.04 1.46 1.18 3mi9A1 LYS 280 HG3 -0.07 -0.05 0.02 -0.04 1.46 1.32 3mi9A1 LYS 280 HD2 -0.04 0.01 0.02 -0.04 1.69 1.64 3mi9A1 LYS 280 HD3 -0.04 -0.04 -0.02 -0.04 1.68 1.54 3mi9A1 LYS 280 HE2 -0.05 -0.03 -0.04 -0.04 2.99 2.83 3mi9A1 LYS 280 HE3 -0.04 0.05 0.08 -0.04 2.99 3.04 3mi9A1 ALA 281 H -0.01 0.21 -0.14 -0.55 8.40 7.92 3mi9A1 ALA 281 HA -0.09 0.00 0.31 -0.75 4.34 3.80 3mi9A1 ALA 281 HB3 -0.19 0.00 0.03 -0.04 1.41 1.22 3mi9A1 TYR 282 H 0.20 0.10 -0.45 -0.55 8.29 7.59 3mi9A1 TYR 282 HA 0.01 0.10 0.52 -0.75 4.56 4.44 3mi9A1 TYR 282 HB2 -0.05 0.01 0.16 -0.04 3.06 3.13 3mi9A1 TYR 282 HB3 0.10 -0.04 -0.12 -0.04 2.98 2.87 3mi9A1 TYR 282 HD2 0.01 0.08 -0.04 -0.04 7.15 7.15 3mi9A1 TYR 282 HE2 -0.01 0.06 0.03 -0.04 6.85 6.89 3mi9A1 VAL 283 H -0.14 0.64 0.10 -0.55 8.24 8.29 3mi9A1 VAL 283 HA -1.31 0.07 0.50 -0.75 4.13 2.64 3mi9A1 VAL 283 HB -0.46 -0.01 -0.00 -0.04 2.12 1.61 3mi9A1 VAL 283 HG13 -1.09 -0.05 -0.29 -0.04 0.97 -0.50 3mi9A1 VAL 283 HG23 -0.82 0.00 -0.03 -0.04 0.95 0.06 3mi9A1 ARG 284 H -0.23 0.23 -0.01 -0.55 8.46 7.89 3mi9A1 ARG 284 HA -0.12 0.04 0.34 -0.75 4.34 3.84 3mi9A1 ARG 284 HB2 -0.08 0.26 0.58 -0.04 1.90 2.62 3mi9A1 ARG 284 HB3 -0.05 -0.12 0.05 -0.04 1.80 1.63 3mi9A1 ARG 284 HG2 -0.06 -0.04 -0.11 -0.04 1.67 1.41 3mi9A1 ARG 284 HG3 -0.07 0.18 -0.68 -0.04 1.67 1.06 3mi9A1 ARG 284 HD2 0.03 0.02 -0.00 -0.04 3.22 3.23 3mi9A1 ARG 284 HD3 -0.01 -0.13 -0.01 -0.04 3.22 3.04 3mi9A1 ASP 285 H -0.13 0.39 -0.02 -0.55 8.40 8.09 3mi9A1 ASP 285 HA -0.05 0.11 0.45 -0.75 4.63 4.39 3mi9A1 ASP 285 HB2 0.08 0.09 0.16 -0.04 2.71 2.99 3mi9A1 ASP 285 HB3 0.03 0.01 0.12 -0.04 2.70 2.82 3mi9A1 PRO 286 HA -0.14 0.09 0.38 -0.51 4.44 4.25 3mi9A1 PRO 286 HB2 -0.39 -0.01 0.05 -0.04 2.28 1.88 3mi9A1 PRO 286 HB3 -0.17 0.04 0.08 -0.04 2.02 1.92 3mi9A1 PRO 286 HG2 -0.17 0.03 0.10 -0.04 2.03 1.95 3mi9A1 PRO 286 HG3 -0.13 0.13 0.13 -0.04 2.03 2.12 3mi9A1 PRO 286 HD2 -0.17 0.05 0.22 -0.04 3.68 3.74 3mi9A1 PRO 286 HD3 -0.10 0.23 0.29 -0.04 3.65 4.04 3mi9A1 TYR 287 H -0.14 0.20 -0.15 -0.55 8.29 7.66 3mi9A1 TYR 287 HA 0.17 0.07 0.41 -0.75 4.56 4.45 3mi9A1 TYR 287 HB2 0.25 0.08 0.02 -0.04 3.06 3.37 3mi9A1 TYR 287 HB3 0.33 -0.09 -0.08 -0.04 2.98 3.09 3mi9A1 TYR 287 HD2 0.10 0.02 -0.05 -0.04 7.15 7.18 3mi9A1 TYR 287 HE2 0.04 0.04 -0.04 -0.04 6.85 6.85 3mi9A1 ALA 288 H 0.13 0.17 -0.28 -0.55 8.40 7.87 3mi9A1 ALA 288 HA -0.84 0.03 0.32 -0.75 4.34 3.10 3mi9A1 ALA 288 HB3 -0.31 0.08 0.01 -0.04 1.41 1.15 3mi9A1 LEU 289 H -0.22 0.37 -0.31 -0.55 8.37 7.66 3mi9A1 LEU 289 HA -0.28 0.06 0.39 -0.75 4.35 3.76 3mi9A1 LEU 289 HB2 -0.16 0.07 0.02 -0.04 1.64 1.53 3mi9A1 LEU 289 HB3 -0.15 -0.05 -0.08 -0.04 1.64 1.32 3mi9A1 LEU 289 HG -0.34 0.01 -0.20 -0.04 1.64 1.07 3mi9A1 LEU 289 HD13 -0.16 0.00 -0.15 -0.04 0.93 0.58 3mi9A1 LEU 289 HD23 -0.21 -0.01 -0.13 -0.04 0.89 0.50 3mi9A1 ASP 290 H -0.07 0.45 -0.28 -0.55 8.40 7.95 3mi9A1 ASP 290 HA -0.02 0.05 0.52 -0.75 4.63 4.43 3mi9A1 ASP 290 HB2 0.06 0.07 0.11 -0.04 2.71 2.92 3mi9A1 ASP 290 HB3 0.25 0.05 0.21 -0.04 2.70 3.17 3mi9A1 LEU 291 H -0.28 0.56 -0.03 -0.55 8.37 8.08 3mi9A1 LEU 291 HA -0.33 0.00 0.35 -0.75 4.35 3.62 3mi9A1 LEU 291 HB2 -0.89 -0.04 0.09 -0.04 1.64 0.75 3mi9A1 LEU 291 HB3 -0.53 0.11 0.11 -0.04 1.64 1.29 3mi9A1 LEU 291 HG -0.20 0.01 -0.20 -0.04 1.64 1.22 3mi9A1 LEU 291 HD13 -0.11 -0.02 0.01 -0.04 0.93 0.77 3mi9A1 LEU 291 HD23 -0.19 -0.00 -0.05 -0.04 0.89 0.60 3mi9A1 ILE 292 H -0.26 0.50 -0.21 -0.55 8.25 7.73 3mi9A1 ILE 292 HA -0.16 0.01 0.35 -0.75 4.18 3.63 3mi9A1 ILE 292 HB -0.20 0.07 0.05 -0.04 1.89 1.77 3mi9A1 ILE 292 HG12 -0.10 -0.05 -0.04 -0.04 1.49 1.26 3mi9A1 ILE 292 HG13 -0.22 0.08 0.06 -0.04 1.21 1.08 3mi9A1 ILE 292 HG23 -0.17 -0.00 -0.17 -0.04 0.93 0.55 3mi9A1 ILE 292 HD13 -0.18 -0.01 -0.16 -0.04 0.88 0.49 3mi9A1 ASP 293 H -0.13 0.39 -0.45 -0.55 8.40 7.67 3mi9A1 ASP 293 HA -0.08 -0.00 0.37 -0.75 4.63 4.16 3mi9A1 ASP 293 HB2 -0.07 0.18 0.18 -0.04 2.71 2.95 3mi9A1 ASP 293 HB3 -0.03 0.14 0.17 -0.04 2.70 2.94 3mi9A1 LYS 294 H -0.05 0.47 -0.15 -0.55 8.42 8.13 3mi9A1 LYS 294 HA 0.01 0.08 0.48 -0.75 4.32 4.13 3mi9A1 LYS 294 HB2 0.01 0.05 0.10 -0.04 1.87 1.99 3mi9A1 LYS 294 HB3 0.05 -0.08 0.07 -0.04 1.79 1.79 3mi9A1 LYS 294 HG2 0.05 -0.01 -0.02 -0.04 1.46 1.44 3mi9A1 LYS 294 HG3 0.05 0.25 0.01 -0.04 1.46 1.73 3mi9A1 LYS 294 HD2 0.25 -0.05 -0.08 -0.04 1.69 1.77 3mi9A1 LYS 294 HD3 0.14 -0.02 -0.03 -0.04 1.68 1.73 3mi9A1 LYS 294 HE2 0.25 -0.04 -0.11 -0.04 2.99 3.05 3mi9A1 LYS 294 HE3 0.17 -0.05 -0.05 -0.04 2.99 3.02 3mi9A1 LEU 295 H -0.08 0.48 -0.20 -0.55 8.37 8.01 3mi9A1 LEU 295 HA -0.01 0.01 0.56 -0.75 4.35 4.17 3mi9A1 LEU 295 HB2 -0.14 0.08 0.14 -0.04 1.64 1.68 3mi9A1 LEU 295 HB3 -0.11 -0.02 0.04 -0.04 1.64 1.51 3mi9A1 LEU 295 HG -0.04 0.02 -0.07 -0.04 1.64 1.52 3mi9A1 LEU 295 HD13 -0.06 -0.03 -0.23 -0.04 0.93 0.57 3mi9A1 LEU 295 HD23 0.02 0.01 -0.09 -0.04 0.89 0.80 3mi9A1 LEU 296 H -0.13 0.46 -0.27 -0.55 8.37 7.88 3mi9A1 LEU 296 HA -0.47 0.14 0.77 -0.75 4.35 4.04 3mi9A1 LEU 296 HB2 -0.20 0.04 0.15 -0.04 1.64 1.59 3mi9A1 LEU 296 HB3 -0.39 -0.07 0.11 -0.04 1.64 1.25 3mi9A1 LEU 296 HG -0.37 0.05 -0.09 -0.04 1.64 1.19 3mi9A1 LEU 296 HD13 -0.30 -0.02 -0.12 -0.04 0.93 0.44 3mi9A1 LEU 296 HD23 -1.23 -0.00 -0.17 -0.04 0.89 -0.55 3mi9A1 VAL 297 H 0.14 0.31 -0.50 -0.55 8.24 7.64 3mi9A1 VAL 297 HA 0.09 0.09 0.68 -0.75 4.13 4.23 3mi9A1 VAL 297 HB 0.04 -0.01 -0.06 -0.04 2.12 2.04 3mi9A1 VAL 297 HG13 -0.03 -0.02 -0.22 -0.04 0.97 0.66 3mi9A1 VAL 297 HG23 0.02 0.02 -0.07 -0.04 0.95 0.87 3mi9A1 LEU 298 H 0.06 0.18 0.08 -0.55 8.37 8.15 3mi9A1 LEU 298 HA -0.15 0.05 0.33 -0.75 4.35 3.82 3mi9A1 LEU 298 HB2 0.05 -0.04 0.06 -0.04 1.64 1.67 3mi9A1 LEU 298 HB3 0.12 -0.04 -0.08 -0.04 1.64 1.60 3mi9A1 LEU 298 HG 0.14 0.06 0.01 -0.04 1.64 1.80 3mi9A1 LEU 298 HD13 0.18 0.05 -0.15 -0.04 0.93 0.97 3mi9A1 LEU 298 HD23 0.13 -0.01 -0.10 -0.04 0.89 0.87 3mi9A1 ASP 299 H -0.30 0.14 -0.10 -0.55 8.40 7.59 3mi9A1 ASP 299 HA -1.99 0.12 0.55 -0.75 4.63 2.55 3mi9A1 ASP 299 HB2 -0.46 0.03 0.16 -0.04 2.71 2.39 3mi9A1 ASP 299 HB3 -0.24 0.07 0.18 -0.04 2.70 2.67 3mi9A1 PRO 300 HA -0.14 0.13 0.37 -0.51 4.44 4.29 3mi9A1 PRO 300 HB2 -0.06 0.02 -0.01 -0.04 2.28 2.19 3mi9A1 PRO 300 HB3 -0.13 -0.01 0.10 -0.04 2.02 1.93 3mi9A1 PRO 300 HG2 -0.08 -0.00 0.09 -0.04 2.03 2.00 3mi9A1 PRO 300 HG3 -0.03 0.02 0.09 -0.04 2.03 2.06 3mi9A1 PRO 300 HD2 -1.16 0.06 0.28 -0.04 3.68 2.82 3mi9A1 PRO 300 HD3 -0.76 0.22 0.30 -0.04 3.65 3.37 3mi9A1 ALA 301 H -0.13 0.09 -0.25 -0.55 8.40 7.57 3mi9A1 ALA 301 HA -0.02 0.07 0.37 -0.75 4.34 4.01 3mi9A1 ALA 301 HB3 -0.00 0.00 0.04 -0.04 1.41 1.41 3mi9A1 GLN 302 H -0.11 0.37 -0.38 -0.55 8.47 7.80 3mi9A1 GLN 302 HA -0.01 0.14 0.78 -0.75 4.36 4.52 3mi9A1 GLN 302 HB2 -0.06 0.05 0.05 -0.04 2.15 2.15 3mi9A1 GLN 302 HB3 -0.01 -0.03 0.09 -0.04 2.02 2.02 3mi9A1 GLN 302 HG2 0.00 0.01 -0.06 -0.04 2.40 2.30 3mi9A1 GLN 302 HG3 -0.03 -0.13 -0.14 -0.04 2.39 2.06 3mi9A1 GLN 302 HE21 0.06 0.20 0.02 -0.04 6.97 7.21 3mi9A1 GLN 302 HE22 0.01 -0.13 0.02 -0.04 7.69 7.55 3mi9A1 ARG 303 H -0.05 0.17 -0.21 -0.55 8.46 7.81 3mi9A1 ARG 303 HA 0.02 0.10 0.48 -0.75 4.34 4.19 3mi9A1 ARG 303 HB2 -0.02 -0.03 0.03 -0.04 1.90 1.84 3mi9A1 ARG 303 HB3 0.02 -0.04 0.06 -0.04 1.80 1.80 3mi9A1 ARG 303 HG2 0.07 0.03 0.06 -0.04 1.67 1.79 3mi9A1 ARG 303 HG3 0.11 -0.04 0.06 -0.04 1.67 1.75 3mi9A1 ARG 303 HD2 0.10 -0.14 0.07 -0.04 3.22 3.21 3mi9A1 ARG 303 HD3 0.28 0.01 0.04 -0.04 3.22 3.51 3mi9A1 ILE 304 H 0.04 0.43 0.19 -0.55 8.25 8.35 3mi9A1 ILE 304 HA 0.06 0.04 0.43 -0.75 4.18 3.95 3mi9A1 ILE 304 HB 0.06 0.06 0.04 -0.04 1.89 2.02 3mi9A1 ILE 304 HG12 0.11 -0.01 0.00 -0.04 1.49 1.55 3mi9A1 ILE 304 HG13 0.10 0.00 0.03 -0.04 1.21 1.30 3mi9A1 ILE 304 HG23 0.06 0.01 -0.26 -0.04 0.93 0.70 3mi9A1 ILE 304 HD13 0.17 -0.01 -0.17 -0.04 0.88 0.83 3mi9A1 ASP 305 H 0.09 0.03 0.14 -0.55 8.40 8.11 3mi9A1 ASP 305 HA 0.09 0.27 0.81 -0.75 4.63 5.05 3mi9A1 ASP 305 HB2 0.11 -0.09 0.14 -0.04 2.71 2.83 3mi9A1 ASP 305 HB3 0.07 0.19 0.03 -0.04 2.70 2.95 3mi9A1 SER 306 H 0.18 0.19 0.11 -0.55 8.46 8.39 3mi9A1 SER 306 HA 0.13 0.12 0.31 -0.75 4.49 4.30 3mi9A1 SER 306 HB2 0.16 0.22 0.10 -0.04 3.95 4.39 3mi9A1 SER 306 HB3 0.18 0.00 0.06 -0.04 3.93 4.13 3mi9A1 ASP 307 H 0.24 0.07 -0.13 -0.55 8.40 8.02 3mi9A1 ASP 307 HA 0.05 0.13 0.34 -0.75 4.63 4.39 3mi9A1 ASP 307 HB2 0.34 0.03 0.08 -0.04 2.71 3.12 3mi9A1 ASP 307 HB3 0.16 -0.08 0.06 -0.04 2.70 2.80 3mi9A1 ASP 308 H 0.12 0.05 -0.17 -0.55 8.40 7.86 3mi9A1 ASP 308 HA 0.11 0.11 0.41 -0.75 4.63 4.51 3mi9A1 ASP 308 HB2 0.12 -0.03 0.08 -0.04 2.71 2.83 3mi9A1 ASP 308 HB3 0.12 0.04 -0.03 -0.04 2.70 2.80 3mi9A1 ALA 309 H 0.15 0.56 -0.22 -0.55 8.40 8.33 3mi9A1 ALA 309 HA 0.24 -0.03 0.28 -0.75 4.34 4.08 3mi9A1 ALA 309 HB3 0.15 0.02 -0.02 -0.04 1.41 1.52 3mi9A1 LEU 310 H 0.12 0.44 -0.43 -0.55 8.37 7.96 3mi9A1 LEU 310 HA -0.21 0.02 0.43 -0.75 4.35 3.84 3mi9A1 LEU 310 HB2 0.02 0.15 0.11 -0.04 1.64 1.88 3mi9A1 LEU 310 HB3 -0.01 -0.05 0.01 -0.04 1.64 1.55 3mi9A1 LEU 310 HG -0.05 0.05 -0.04 -0.04 1.64 1.56 3mi9A1 LEU 310 HD13 -0.08 -0.04 -0.18 -0.04 0.93 0.59 3mi9A1 LEU 310 HD23 -0.36 -0.00 0.02 -0.04 0.89 0.51 3mi9A1 ASN 311 H 0.24 0.38 -0.36 -0.55 8.53 8.24 3mi9A1 ASN 311 HA 0.58 0.17 0.78 -0.75 4.76 5.54 3mi9A1 ASN 311 HB2 0.11 0.03 0.11 -0.04 2.88 3.09 3mi9A1 ASN 311 HB3 0.02 -0.08 0.13 -0.04 2.79 2.83 3mi9A1 ASN 311 HD21 0.01 -0.08 -0.06 -0.04 7.03 6.86 3mi9A1 ASN 311 HD22 0.07 0.35 0.01 -0.04 7.74 8.12 3mi9A1 HIS 312 H 0.53 0.30 -0.44 -0.55 8.41 8.25 3mi9A1 HIS 312 HA 0.20 0.02 0.45 -0.75 4.63 4.54 3mi9A1 HIS 312 HB2 0.24 0.08 0.10 -0.04 3.26 3.64 3mi9A1 HIS 312 HB3 0.35 0.07 0.09 -0.04 3.20 3.67 3mi9A1 HIS 312 HD2 0.11 0.05 -0.05 -0.04 6.97 7.04 3mi9A1 HIS 312 HE1 0.21 0.03 0.09 -0.04 7.75 8.04 3mi9A1 ASP 313 H -0.29 0.14 0.13 -0.55 8.40 7.83 3mi9A1 ASP 313 HA 0.12 0.14 0.25 -0.75 4.63 4.38 3mi9A1 ASP 313 HB2 -0.12 -0.05 0.06 -0.04 2.71 2.56 3mi9A1 ASP 313 HB3 -0.66 0.02 -0.05 -0.04 2.70 1.96 3mi9A1 PHE 314 H 0.83 0.04 -0.44 -0.55 8.34 8.21 3mi9A1 PHE 314 HA -0.03 -0.03 0.26 -0.75 4.62 4.06 3mi9A1 PHE 314 HB2 -0.04 -0.03 -0.15 -0.04 3.15 2.89 3mi9A1 PHE 314 HB3 -0.31 0.07 -0.05 -0.04 3.06 2.73 3mi9A1 PHE 314 HD2 -0.85 -0.06 -0.13 -0.04 7.28 6.20 3mi9A1 PHE 314 HE2 -0.11 -0.00 -0.06 -0.04 7.38 7.17 3mi9A1 PHE 314 HZ 0.09 0.01 -0.13 -0.04 7.32 7.25 3mi9A1 PHE 315 H 0.10 0.40 -0.29 -0.55 8.34 8.00 3mi9A1 PHE 315 HA -0.56 0.09 0.54 -0.75 4.62 3.94 3mi9A1 PHE 315 HB2 -0.51 0.21 0.01 -0.04 3.15 2.82 3mi9A1 PHE 315 HB3 -0.86 -0.06 0.14 -0.04 3.06 2.24 3mi9A1 PHE 315 HD2 -0.05 0.05 0.02 -0.04 7.28 7.26 3mi9A1 PHE 315 HE2 0.11 0.14 -0.03 -0.04 7.38 7.56 3mi9A1 PHE 315 HZ 0.17 -0.06 -0.28 -0.04 7.32 7.10 3mi9A1 TRP 316 H -0.01 0.46 -0.43 -0.55 7.97 7.45 3mi9A1 TRP 316 HA -0.02 0.18 0.94 -0.75 4.62 4.97 3mi9A1 TRP 316 HB2 -0.04 -0.03 -0.02 -0.04 3.23 3.09 3mi9A1 TRP 316 HB3 -0.02 -0.07 0.14 -0.04 3.23 3.23 3mi9A1 TRP 316 HD1 0.11 0.17 -0.48 -0.04 7.22 6.98 3mi9A1 TRP 316 HE1 0.08 0.35 0.19 -0.04 10.20 10.79 3mi9A1 TRP 316 HE3 -0.00 -0.05 0.03 -0.04 7.59 7.53 3mi9A1 TRP 316 HZ2 -0.03 -0.00 -0.02 -0.04 7.44 7.35 3mi9A1 TRP 316 HZ3 -0.01 -0.06 0.01 -0.04 7.13 7.03 3mi9A1 TRP 316 HH2 -0.02 -0.06 -0.01 -0.04 7.19 7.06 3mi9A1 SER 317 H -0.15 0.40 -0.13 -0.55 8.46 8.03 3mi9A1 SER 317 HA -0.02 0.06 0.83 -0.75 4.49 4.61 3mi9A1 SER 317 HB2 -0.11 -0.03 0.00 -0.04 3.95 3.76 3mi9A1 SER 317 HB3 -0.37 -0.05 -0.11 -0.04 3.93 3.35 3mi9A1 ASP 318 H 0.02 0.07 0.07 -0.55 8.40 8.01 3mi9A1 ASP 318 HA -0.02 -0.10 0.28 -0.75 4.63 4.04 3mi9A1 ASP 318 HB2 0.04 -0.00 0.12 -0.04 2.71 2.82 3mi9A1 ASP 318 HB3 0.02 0.01 0.05 -0.04 2.70 2.74 3mi9A1 PRO 319 HA -0.01 -0.06 0.42 -0.51 4.44 4.28 3mi9A1 PRO 319 HB2 -0.01 0.05 0.03 -0.04 2.28 2.30 3mi9A1 PRO 319 HB3 0.01 -0.01 0.12 -0.04 2.02 2.10 3mi9A1 PRO 319 HG2 -0.01 0.06 0.03 -0.04 2.03 2.07 3mi9A1 PRO 319 HG3 0.04 -0.07 0.09 -0.04 2.03 2.05 3mi9A1 PRO 319 HD2 0.05 0.12 0.42 -0.04 3.68 4.23 3mi9A1 PRO 319 HD3 0.04 0.04 0.13 -0.04 3.65 3.82 3mi9A1 MET 320 H -0.04 -0.00 0.09 -0.55 8.47 7.97 3mi9A1 MET 320 HA -0.15 0.30 0.49 -0.75 4.52 4.40 3mi9A1 MET 320 HB2 -0.04 -0.10 0.05 -0.04 2.15 2.01 3mi9A1 MET 320 HB3 -0.09 0.13 0.04 -0.04 2.03 2.07 3mi9A1 MET 320 HG2 -0.02 -0.15 -0.23 -0.04 2.63 2.18 3mi9A1 MET 320 HG3 -0.00 -0.04 -0.06 -0.04 2.56 2.42 3mi9A1 MET 320 HE3 0.02 -0.01 0.02 -0.04 2.10 2.08 3mi9A1 PRO 321 HA -0.10 0.14 0.52 -0.51 4.44 4.49 3mi9A1 PRO 321 HB2 -0.13 -0.03 0.06 -0.04 2.28 2.15 3mi9A1 PRO 321 HB3 -0.07 -0.02 0.03 -0.04 2.02 1.91 3mi9A1 PRO 321 HG2 -0.25 0.08 0.11 -0.04 2.03 1.92 3mi9A1 PRO 321 HG3 -0.14 -0.00 0.05 -0.04 2.03 1.90 3mi9A1 PRO 321 HD2 -0.25 0.06 0.21 -0.04 3.68 3.66 3mi9A1 PRO 321 HD3 -0.28 0.23 0.20 -0.04 3.65 3.76 3mi9A1 SER 322 H -0.04 0.32 0.19 -0.55 8.46 8.38 3mi9A1 SER 322 HA -0.03 0.16 0.85 -0.75 4.49 4.71 3mi9A1 SER 322 HB2 -0.02 -0.09 0.13 -0.04 3.95 3.93 3mi9A1 SER 322 HB3 -0.03 0.08 -0.06 -0.04 3.93 3.89 3mi9A1 ASP 323 H -0.02 0.08 0.15 -0.55 8.40 8.06 3mi9A1 ASP 323 HA -0.02 0.19 0.51 -0.75 4.63 4.56 3mi9A1 ASP 323 HB2 -0.02 0.02 0.18 -0.04 2.71 2.85 3mi9A1 ASP 323 HB3 -0.02 0.08 0.14 -0.04 2.70 2.86 3mi9A1 LEU 324 H -0.02 0.26 0.14 -0.55 8.37 8.20 3mi9A1 LEU 324 HA -0.04 0.12 0.80 -0.75 4.35 4.48 3mi9A1 LEU 324 HB2 -0.03 0.05 0.12 -0.04 1.64 1.75 3mi9A1 LEU 324 HB3 -0.05 -0.01 0.15 -0.04 1.64 1.69 3mi9A1 LEU 324 HG 0.00 0.04 0.01 -0.04 1.64 1.65 3mi9A1 LEU 324 HD13 0.03 0.01 -0.07 -0.04 0.93 0.86 3mi9A1 LEU 324 HD23 0.05 0.04 -0.07 -0.04 0.89 0.87 3mi9A1 LYS 325 H -0.03 0.11 -0.35 -0.55 8.42 7.59 3mi9A1 LYS 325 HA -0.04 0.18 0.42 -0.75 4.32 4.13 3mi9A1 LYS 325 HB2 -0.03 -0.07 0.07 -0.04 1.87 1.81 3mi9A1 LYS 325 HB3 -0.03 0.07 -0.07 -0.04 1.79 1.73 3mi9A1 LYS 325 HG2 -0.02 0.08 0.01 -0.04 1.46 1.49 3mi9A1 LYS 325 HG3 -0.02 -0.05 0.00 -0.04 1.46 1.36 3mi9A1 LYS 325 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 3mi9A1 LYS 325 HD3 -0.01 0.03 -0.01 -0.04 1.68 1.64 3mi9A1 LYS 325 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 3mi9A1 LYS 325 HE3 -0.01 0.03 -0.00 -0.04 2.99 2.97 3mi9A1 GLY 326 H -0.05 0.08 -0.09 -0.55 8.43 7.83 3mi9A1 GLY 326 HA2 -0.05 0.12 0.39 -0.51 4.01 3.97 3mi9A1 GLY 326 HA3 -0.06 0.03 0.30 -0.51 4.01 3.78 3mi9A1 MET 327 H -0.13 0.02 -0.08 -0.55 8.47 7.73 3mi9A1 MET 327 HA -0.28 0.25 0.45 -0.75 4.52 4.19 3mi9A1 MET 327 HB2 -0.41 -0.09 0.19 -0.04 2.15 1.80 3mi9A1 MET 327 HB3 -0.26 -0.03 0.06 -0.04 2.03 1.76 3mi9A1 MET 327 HG2 -1.02 0.11 -0.07 -0.04 2.63 1.61 3mi9A1 MET 327 HG3 -1.78 -0.05 -0.11 -0.04 2.56 0.58 3mi9A1 MET 327 HE3 -0.06 -0.02 -0.12 -0.04 2.10 1.85 3mi9A1 LEU 328 H -0.12 0.25 -0.60 -0.55 8.37 7.35 3mi9A1 LEU 328 HA -0.14 0.03 0.44 -0.75 4.35 3.91 3mi9A1 LEU 328 HB2 -0.06 0.07 0.18 -0.04 1.64 1.78 3mi9A1 LEU 328 HB3 -0.04 -0.04 0.09 -0.04 1.64 1.61 3mi9A1 LEU 328 HG -0.12 0.11 0.05 -0.04 1.64 1.64 3mi9A1 LEU 328 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.79 3mi9A1 LEU 328 HD23 -0.30 -0.02 -0.08 -0.04 0.89 0.45 3mi9A1 SER 329 H -0.07 0.53 -0.17 -0.55 8.46 8.20 3mi9A1 SER 329 HA -0.03 0.07 0.62 -0.75 4.49 4.40 3mi9A1 SER 329 HB2 -0.04 -0.08 0.10 -0.04 3.95 3.90 3mi9A1 SER 329 HB3 -0.04 -0.01 0.14 -0.04 3.93 3.98 3mi9A1 THR 330 H -0.08 0.31 -0.13 -0.55 8.28 7.83 3mi9A1 THR 330 HA -0.07 0.08 0.47 -0.75 4.39 4.11 3mi9A1 THR 330 HB -0.03 0.14 0.23 -0.04 4.32 4.62 3mi9A1 THR 330 HG23 -0.06 0.00 0.04 -0.04 1.22 1.16 3mi9A1 HIS 331 H 0.03 0.20 -0.60 -0.55 8.41 7.50 3mi9A1 HIS 331 HA 0.09 0.01 0.60 -0.75 4.63 4.57 3mi9A1 HIS 331 HB2 -0.08 -0.02 0.07 -0.04 3.26 3.18 3mi9A1 HIS 331 HB3 -0.02 0.18 0.13 -0.04 3.20 3.45 3mi9A1 HIS 331 HD2 0.11 -0.02 -0.21 -0.04 6.97 6.81 3mi9A1 HIS 331 HE1 0.17 -0.06 -0.03 -0.04 7.75 7.79 3mi9A1 LEU 332 H -0.43 0.08 0.08 -0.55 8.37 7.56 3mi9A1 LEU 332 HA -0.26 0.32 0.94 -0.75 4.35 4.60 3mi9A1 LEU 332 HB2 -2.12 -0.03 -0.01 -0.04 1.64 -0.56 3mi9A1 LEU 332 HB3 -0.64 -0.25 0.10 -0.04 1.64 0.82 3mi9A1 LEU 332 HG -0.50 0.18 -0.48 -0.04 1.64 0.79 3mi9A1 LEU 332 HD13 -0.46 -0.03 -0.22 -0.04 0.93 0.18 3mi9A1 LEU 332 HD23 -0.21 0.05 -0.11 -0.04 0.89 0.58 3mi9A1 THR 333 H -0.29 0.13 0.14 -0.55 8.28 7.71 3mi9A1 THR 333 HA -0.06 0.24 0.76 -0.75 4.39 4.59 3mi9A1 THR 333 HB -0.08 -0.02 0.11 -0.04 4.32 4.29 3mi9A1 THR 333 HG23 -0.02 0.02 -0.01 -0.04 1.22 1.18 3mi9A1 SER 334 H -0.29 0.19 -0.02 -0.55 8.46 7.79 3mi9A1 SER 334 HA -0.00 0.13 0.25 -0.75 4.49 4.11 3mi9A1 SER 334 HB2 -0.14 -0.16 0.22 -0.04 3.95 3.83 3mi9A1 SER 334 HB3 -0.13 0.44 0.42 -0.04 3.93 4.62 3mi9A1 MET 335 H -0.02 0.20 0.14 -0.55 8.47 8.24 3mi9A1 MET 335 HA 0.08 0.12 0.39 -0.75 4.52 4.35 3mi9A1 MET 335 HB2 0.04 0.04 0.16 -0.04 2.15 2.35 3mi9A1 MET 335 HB3 0.10 -0.05 0.16 -0.04 2.03 2.20 3mi9A1 MET 335 HG2 0.04 0.04 0.02 -0.04 2.63 2.69 3mi9A1 MET 335 HG3 0.06 0.03 0.01 -0.04 2.56 2.61 3mi9A1 MET 335 HE3 0.15 -0.02 -0.03 -0.04 2.10 2.16 3mi9A1 PHE 336 H 0.05 0.09 -0.06 -0.55 8.34 7.87 3mi9A1 PHE 336 HA 0.03 0.11 0.37 -0.75 4.62 4.37 3mi9A1 PHE 336 HB2 0.01 0.08 0.02 -0.04 3.15 3.22 3mi9A1 PHE 336 HB3 0.02 0.00 0.08 -0.04 3.06 3.12 3mi9A1 PHE 336 HD2 0.00 0.03 -0.09 -0.04 7.28 7.19 3mi9A1 PHE 336 HE2 0.00 0.03 -0.03 -0.04 7.38 7.34 3mi9A1 PHE 336 HZ 0.00 0.04 -0.03 -0.04 7.32 7.28 3mi9A1 GLU 337 H -0.64 0.03 -0.30 -0.55 8.60 7.15 3mi9A1 GLU 337 HA -0.02 0.11 0.40 -0.75 4.29 4.04 3mi9A1 GLU 337 HB2 -0.43 -0.06 0.10 -0.04 2.09 1.66 3mi9A1 GLU 337 HB3 -0.25 0.10 0.03 -0.04 1.99 1.83 3mi9A1 GLU 337 HG2 -0.19 0.02 0.03 -0.04 2.34 2.16 3mi9A1 GLU 337 HG3 -0.08 0.04 -0.02 -0.04 2.34 2.24 3mi9A1 TYR 338 H -0.06 0.32 -0.06 -0.55 8.29 7.93 3mi9A1 TYR 338 HA -0.06 0.11 0.47 -0.75 4.56 4.32 3mi9A1 TYR 338 HB2 -0.08 -0.02 0.15 -0.04 3.06 3.07 3mi9A1 TYR 338 HB3 -0.05 0.01 -0.03 -0.04 2.98 2.87 3mi9A1 TYR 338 HD2 -0.10 0.04 -0.15 -0.04 7.15 6.89 3mi9A1 TYR 338 HE2 -0.16 0.12 -0.08 -0.04 6.85 6.70 3mi9A1 LEU 339 H 0.10 0.59 0.01 -0.55 8.37 8.52 3mi9A1 LEU 339 HA 0.07 0.16 0.60 -0.75 4.35 4.42 3mi9A1 LEU 339 HB2 0.08 -0.02 0.02 -0.04 1.64 1.68 3mi9A1 LEU 339 HB3 0.05 -0.06 0.07 -0.04 1.64 1.66 3mi9A1 LEU 339 HG 0.08 -0.02 0.01 -0.04 1.64 1.67 3mi9A1 LEU 339 HD13 0.04 -0.04 -0.03 -0.04 0.93 0.86 3mi9A1 LEU 339 HD23 0.03 0.02 -0.06 -0.04 0.89 0.83 3mi9A1 ALA 340 H 0.07 0.41 -0.18 -0.55 8.40 8.15 3mi9A1 ALA 340 HA 0.05 0.04 0.68 -0.75 4.34 4.35 3mi9A1 ALA 340 HB3 0.08 -0.05 0.12 -0.04 1.41 1.53 3mi9A1 PRO 341 HA 0.02 0.14 0.43 -0.51 4.44 4.52 3mi9A1 PRO 341 HB2 0.01 -0.06 -0.05 -0.04 2.28 2.14 3mi9A1 PRO 341 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 3mi9A1 PRO 341 HG2 0.02 -0.04 0.06 -0.04 2.03 2.03 3mi9A1 PRO 341 HG3 0.02 0.09 0.07 -0.04 2.03 2.17 3mi9A1 PRO 341 HD2 0.03 0.02 0.20 -0.04 3.68 3.88 3mi9A1 PRO 341 HD3 0.03 0.19 0.30 -0.04 3.65 4.14 3mi9A1 PRO 342 HA 0.01 0.18 0.79 -0.51 4.44 4.91 3mi9A1 PRO 342 HB2 0.00 -0.04 0.18 -0.04 2.28 2.38 3mi9A1 PRO 342 HB3 0.00 0.10 0.07 -0.04 2.02 2.14 3mi9A1 PRO 342 HG2 0.00 -0.03 0.15 -0.04 2.03 2.12 3mi9A1 PRO 342 HG3 0.00 0.03 0.10 -0.04 2.03 2.13 3mi9A1 PRO 342 HD2 0.01 0.04 0.16 -0.04 3.68 3.84 3mi9A1 PRO 342 HD3 0.01 0.22 0.16 -0.04 3.65 4.00 3mi9A1 ARG 343 H 0.01 0.40 -0.06 -0.55 8.46 8.26 3mi9A1 ARG 343 HA 0.00 0.04 0.43 -0.75 4.34 4.06 3mi9A1 ARG 343 HB2 0.01 -0.03 -0.40 -0.04 1.90 1.44 3mi9A1 ARG 343 HB3 0.00 -0.25 0.14 -0.04 1.80 1.65 3mi9A1 ARG 343 HG2 0.00 -0.12 0.10 -0.04 1.67 1.62 3mi9A1 ARG 343 HG3 0.00 0.49 0.36 -0.04 1.67 2.48 3mi9A1 ARG 343 HD2 0.01 -0.01 -0.09 -0.04 3.22 3.08 3mi9A1 ARG 343 HD3 0.00 -0.07 -0.00 -0.04 3.22 3.11 3mi9A1 ARG 344 H 0.00 0.20 0.02 -0.55 8.46 8.14 3mi9A1 ARG 344 HA 0.00 0.23 0.60 -0.75 4.34 4.42 3mi9A1 ARG 344 HB2 0.00 0.02 -0.10 -0.04 1.90 1.78 3mi9A1 ARG 344 HB3 0.00 0.01 0.06 -0.04 1.80 1.83 3mi9A1 ARG 344 HG2 0.00 -0.01 0.01 -0.04 1.67 1.63 3mi9A1 ARG 344 HG3 0.00 0.00 0.04 -0.04 1.67 1.67 3mi9A1 ARG 344 HD2 0.00 0.01 0.04 -0.04 3.22 3.23 3mi9A1 ARG 344 HD3 0.00 0.05 -0.01 -0.04 3.22 3.21