============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 4 0.840 29.953 7.600 46.943 -99.200 -91.000 HIS 5 0.900 37.674 3.792 48.008 -99.200 -91.000 TYR 15 0.840 17.936 9.649 30.927 -99.200 -91.000 TYR 19 0.840 32.286 7.205 36.274 -99.200 -91.000 TYR 25 0.840 30.418 4.850 55.606 -99.200 -91.000 PHE 29 1.000 26.485 2.443 48.149 -99.200 -91.000 HIS 59 0.900 8.616 -4.461 43.869 -99.200 -91.000 TYR 66 0.840 21.563 2.547 48.582 -99.200 -91.000 HIS 70 0.900 22.443 20.425 41.283 -99.200 -91.000 PHE 79 1.000 20.070 5.140 40.265 -99.200 -91.000 HIS 81 0.900 27.823 -2.823 40.576 -99.200 -91.000 PHE 105 1.000 16.141 -13.316 34.247 -99.200 -91.000 TYR 115 0.840 6.865 0.049 44.651 -99.200 -91.000 HIS 117 0.900 3.140 1.113 34.697 -99.200 -91.000 HIS 123 0.900 12.460 2.760 32.301 -99.200 -91.000 PHE 144 1.000 9.329 1.868 36.203 -99.200 -91.000 PHE 150 1.000 17.681 13.663 34.292 -99.200 -91.000 TRP 156 1.040 16.040 -1.725 17.877 -99.200 -91.000 TRP6 156 1.020 17.797 -3.231 18.389 -99.200 -91.000 TYR 157 0.840 13.833 -2.991 23.349 -99.200 -91.000 TYR 169 0.840 0.459 8.832 33.789 -99.200 -91.000 TRP 176 1.040 5.330 -1.872 21.820 -99.200 -91.000 TRP6 176 1.020 3.697 -2.762 20.395 -99.200 -91.000 PHE 182 1.000 6.654 -13.541 27.325 -99.200 -91.000 PHE 192 1.000 7.590 -5.767 16.810 -99.200 -91.000 PHE 205 1.000 2.159 0.042 11.663 -99.200 -91.000 TRP 216 1.040 -5.078 2.453 17.827 -99.200 -91.000 TRP6 216 1.020 -2.724 2.529 17.512 -99.200 -91.000 TYR 225 0.840 -3.482 6.682 10.277 -99.200 -91.000 PHE 229 1.000 1.553 4.415 8.895 -99.200 -91.000 TYR 232 0.840 3.713 -4.497 5.577 -99.200 -91.000 TRP 237 1.040 -0.306 -13.884 17.942 -99.200 -91.000 TRP6 237 1.020 0.856 -12.005 18.742 -99.200 -91.000 PHE 240 1.000 5.111 -13.030 15.505 -99.200 -91.000 HIS 272 0.900 -2.056 -15.156 30.403 -99.200 -91.000 TYR 274 0.840 4.508 -17.357 30.602 -99.200 -91.000 PHE 275 1.000 3.797 -14.334 34.636 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ob3A1 MET 1 HA 0.06 0.01 0.08 -0.75 4.52 3.92 1ob3A1 MET 1 HB2 0.08 -0.11 -0.17 -0.04 2.15 1.91 1ob3A1 MET 1 HB3 0.04 0.05 -0.03 -0.04 2.03 2.05 1ob3A1 MET 1 HG2 0.02 0.06 -0.01 -0.04 2.63 2.66 1ob3A1 MET 1 HG3 0.02 -0.08 0.02 -0.04 2.56 2.49 1ob3A1 MET 1 HE3 0.03 -0.02 -0.03 -0.04 2.10 2.05 1ob3A1 GLU 2 H 0.04 0.18 0.03 -0.55 8.60 8.30 1ob3A1 GLU 2 HA -0.00 -0.01 0.28 -0.75 4.29 3.81 1ob3A1 GLU 2 HB2 0.07 -0.01 -0.25 -0.04 2.09 1.86 1ob3A1 GLU 2 HB3 0.21 0.11 0.10 -0.04 1.99 2.36 1ob3A1 GLU 2 HG2 0.00 -0.00 -0.02 -0.04 2.34 2.27 1ob3A1 GLU 2 HG3 -0.07 -0.02 0.03 -0.04 2.34 2.24 1ob3A1 LYS 3 H 0.00 0.06 -0.14 -0.55 8.42 7.79 1ob3A1 LYS 3 HA -0.03 0.03 0.26 -0.75 4.32 3.82 1ob3A1 LYS 3 HB2 -0.15 0.05 -0.03 -0.04 1.87 1.71 1ob3A1 LYS 3 HB3 -0.07 -0.01 0.03 -0.04 1.79 1.70 1ob3A1 LYS 3 HG2 -0.04 0.01 -0.05 -0.04 1.46 1.34 1ob3A1 LYS 3 HG3 -0.06 -0.04 -0.35 -0.04 1.46 0.97 1ob3A1 LYS 3 HD2 -0.03 0.01 -0.06 -0.04 1.69 1.57 1ob3A1 LYS 3 HD3 -0.04 0.01 -0.03 -0.04 1.68 1.57 1ob3A1 LYS 3 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.91 1ob3A1 LYS 3 HE3 -0.02 -0.01 -0.04 -0.04 2.99 2.89 1ob3A1 TYR 4 H 0.14 0.11 -0.07 -0.55 8.29 7.92 1ob3A1 TYR 4 HA 0.10 0.29 1.02 -0.75 4.56 5.23 1ob3A1 TYR 4 HB2 -0.01 -0.06 -0.09 -0.04 3.06 2.86 1ob3A1 TYR 4 HB3 0.00 0.01 -0.12 -0.04 2.98 2.83 1ob3A1 TYR 4 HD2 0.02 -0.01 -0.47 -0.04 7.15 6.65 1ob3A1 TYR 4 HE2 -0.18 -0.02 -0.12 -0.04 6.85 6.48 1ob3A1 HIS 5 H 0.18 0.77 0.28 -0.55 8.41 9.09 1ob3A1 HIS 5 HA 0.05 0.12 0.76 -0.75 4.63 4.80 1ob3A1 HIS 5 HB2 0.03 -0.07 0.10 -0.04 3.26 3.28 1ob3A1 HIS 5 HB3 0.03 0.01 -0.16 -0.04 3.20 3.03 1ob3A1 HIS 5 HD2 0.02 -0.04 -0.11 -0.04 6.97 6.81 1ob3A1 HIS 5 HE1 0.05 0.07 -0.07 -0.04 7.75 7.75 1ob3A1 GLY 6 H 0.09 0.13 0.13 -0.55 8.43 8.24 1ob3A1 GLY 6 HA2 0.01 0.04 0.29 -0.51 4.01 3.84 1ob3A1 GLY 6 HA3 -0.11 0.07 0.45 -0.51 4.01 3.90 1ob3A1 LEU 7 H 0.01 -0.01 -0.15 -0.55 8.37 7.67 1ob3A1 LEU 7 HA 0.02 0.27 0.48 -0.75 4.35 4.36 1ob3A1 LEU 7 HB2 -0.06 -0.07 0.08 -0.04 1.64 1.56 1ob3A1 LEU 7 HB3 -0.13 -0.01 -0.10 -0.04 1.64 1.36 1ob3A1 LEU 7 HG -0.17 0.04 -0.15 -0.04 1.64 1.33 1ob3A1 LEU 7 HD13 0.00 0.00 -0.28 -0.04 0.93 0.61 1ob3A1 LEU 7 HD23 -0.40 -0.01 -0.09 -0.04 0.89 0.35 1ob3A1 GLU 8 H 0.09 0.79 0.45 -0.55 8.60 9.38 1ob3A1 GLU 8 HA 0.09 0.09 0.86 -0.75 4.29 4.57 1ob3A1 GLU 8 HB2 0.02 0.04 -0.03 -0.04 2.09 2.08 1ob3A1 GLU 8 HB3 0.01 -0.02 0.20 -0.04 1.99 2.14 1ob3A1 GLU 8 HG2 0.01 0.07 -0.32 -0.04 2.34 2.06 1ob3A1 GLU 8 HG3 0.02 -0.02 0.02 -0.04 2.34 2.32 1ob3A1 LYS 9 H 0.08 0.15 0.13 -0.55 8.42 8.23 1ob3A1 LYS 9 HA -0.34 0.13 0.69 -0.75 4.32 4.05 1ob3A1 LYS 9 HB2 -0.16 0.00 0.07 -0.04 1.87 1.74 1ob3A1 LYS 9 HB3 -0.04 -0.01 0.17 -0.04 1.79 1.87 1ob3A1 LYS 9 HG2 -0.12 -0.02 -0.34 -0.04 1.46 0.93 1ob3A1 LYS 9 HG3 -0.32 0.07 0.04 -0.04 1.46 1.21 1ob3A1 LYS 9 HD2 -0.11 0.00 -0.04 -0.04 1.69 1.50 1ob3A1 LYS 9 HD3 -0.05 0.00 -0.03 -0.04 1.68 1.56 1ob3A1 LYS 9 HE2 -0.08 -0.05 -0.18 -0.04 2.99 2.63 1ob3A1 LYS 9 HE3 -0.09 0.00 -0.14 -0.04 2.99 2.73 1ob3A1 ILE 10 H -0.15 0.68 0.47 -0.55 8.25 8.69 1ob3A1 ILE 10 HA -0.03 0.20 0.94 -0.75 4.18 4.53 1ob3A1 ILE 10 HB 0.03 -0.00 0.10 -0.04 1.89 1.98 1ob3A1 ILE 10 HG12 -0.01 -0.06 -0.27 -0.04 1.49 1.11 1ob3A1 ILE 10 HG13 -0.01 0.02 -0.24 -0.04 1.21 0.93 1ob3A1 ILE 10 HG23 0.00 0.02 -0.15 -0.04 0.93 0.77 1ob3A1 ILE 10 HD13 0.12 -0.00 -0.15 -0.04 0.88 0.81 1ob3A1 GLY 11 H -0.14 0.22 0.18 -0.55 8.43 8.15 1ob3A1 GLY 11 HA2 -0.06 0.04 0.35 -0.51 4.01 3.84 1ob3A1 GLY 11 HA3 -0.05 0.13 0.43 -0.51 4.01 4.01 1ob3A1 GLU 12 H -0.06 0.21 0.13 -0.55 8.60 8.34 1ob3A1 GLU 12 HA -0.07 0.06 0.85 -0.75 4.29 4.38 1ob3A1 GLU 12 HB2 -0.05 -0.04 0.09 -0.04 2.09 2.05 1ob3A1 GLU 12 HB3 -0.06 -0.00 0.17 -0.04 1.99 2.06 1ob3A1 GLU 12 HG2 -0.05 -0.01 -0.02 -0.04 2.34 2.21 1ob3A1 GLU 12 HG3 -0.06 0.23 -0.13 -0.04 2.34 2.35 1ob3A1 GLY 13 H -0.05 0.50 0.26 -0.55 8.43 8.59 1ob3A1 GLY 13 HA2 -0.06 0.13 0.70 -0.51 4.01 4.27 1ob3A1 GLY 13 HA3 -0.03 -0.03 0.30 -0.51 4.01 3.74 1ob3A1 THR 14 H -0.08 0.10 0.09 -0.55 8.28 7.85 1ob3A1 THR 14 HA -0.20 0.12 0.27 -0.75 4.39 3.83 1ob3A1 THR 14 HB -0.26 -0.08 0.09 -0.04 4.32 4.03 1ob3A1 THR 14 HG23 -0.71 0.03 -0.11 -0.04 1.22 0.38 1ob3A1 TYR 15 H 0.02 0.02 -0.13 -0.55 8.29 7.64 1ob3A1 TYR 15 HA -0.08 0.27 0.84 -0.75 4.56 4.84 1ob3A1 TYR 15 HB2 -0.07 -0.05 -0.06 -0.04 3.06 2.85 1ob3A1 TYR 15 HB3 -0.29 0.03 0.14 -0.04 2.98 2.82 1ob3A1 TYR 15 HD2 -0.00 -0.01 -0.05 -0.04 7.15 7.05 1ob3A1 TYR 15 HE2 0.08 0.12 -0.15 -0.04 6.85 6.86 1ob3A1 GLY 16 H -0.01 0.33 -0.38 -0.55 8.43 7.82 1ob3A1 GLY 16 HA2 -0.00 0.04 0.34 -0.51 4.01 3.88 1ob3A1 GLY 16 HA3 0.03 0.29 0.60 -0.51 4.01 4.42 1ob3A1 VAL 17 H 0.03 0.36 0.24 -0.55 8.24 8.31 1ob3A1 VAL 17 HA -0.09 0.09 0.70 -0.75 4.13 4.08 1ob3A1 VAL 17 HB -0.06 -0.00 0.10 -0.04 2.12 2.12 1ob3A1 VAL 17 HG13 0.16 0.00 0.12 -0.04 0.97 1.21 1ob3A1 VAL 17 HG23 -0.47 0.01 -0.10 -0.04 0.95 0.35 1ob3A1 VAL 18 H -0.15 0.67 0.41 -0.55 8.24 8.62 1ob3A1 VAL 18 HA 0.02 0.32 1.07 -0.75 4.13 4.78 1ob3A1 VAL 18 HB -0.06 -0.05 0.05 -0.04 2.12 2.03 1ob3A1 VAL 18 HG13 0.05 0.00 -0.17 -0.04 0.97 0.80 1ob3A1 VAL 18 HG23 -0.01 -0.01 -0.13 -0.04 0.95 0.77 1ob3A1 TYR 19 H 0.19 0.75 0.42 -0.55 8.29 9.10 1ob3A1 TYR 19 HA -0.00 0.18 1.07 -0.75 4.56 5.05 1ob3A1 TYR 19 HB2 -0.02 -0.06 0.03 -0.04 3.06 2.96 1ob3A1 TYR 19 HB3 -0.02 0.09 -0.07 -0.04 2.98 2.93 1ob3A1 TYR 19 HD2 -0.00 0.05 -0.32 -0.04 7.15 6.83 1ob3A1 TYR 19 HE2 0.01 -0.00 -0.11 -0.04 6.85 6.71 1ob3A1 LYS 20 H 0.05 0.62 0.38 -0.55 8.42 8.91 1ob3A1 LYS 20 HA -0.11 0.20 0.90 -0.75 4.32 4.55 1ob3A1 LYS 20 HB2 -0.13 -0.03 0.11 -0.04 1.87 1.78 1ob3A1 LYS 20 HB3 -0.07 -0.01 0.17 -0.04 1.79 1.83 1ob3A1 LYS 20 HG2 -0.20 0.03 -0.06 -0.04 1.46 1.19 1ob3A1 LYS 20 HG3 -0.67 -0.00 0.04 -0.04 1.46 0.78 1ob3A1 LYS 20 HD2 -0.24 -0.01 -0.03 -0.04 1.69 1.37 1ob3A1 LYS 20 HD3 -0.09 -0.00 -0.02 -0.04 1.68 1.53 1ob3A1 LYS 20 HE2 -0.13 0.02 -0.04 -0.04 2.99 2.80 1ob3A1 LYS 20 HE3 -0.08 -0.03 -0.05 -0.04 2.99 2.79 1ob3A1 ALA 21 H -0.04 0.61 0.36 -0.55 8.40 8.78 1ob3A1 ALA 21 HA -0.04 0.29 0.54 -0.75 4.34 4.37 1ob3A1 ALA 21 HB3 0.02 -0.01 -0.22 -0.04 1.41 1.15 1ob3A1 GLN 22 H -0.11 0.61 0.27 -0.55 8.47 8.70 1ob3A1 GLN 22 HA 0.14 0.40 0.95 -0.75 4.36 5.10 1ob3A1 GLN 22 HB2 -0.42 -0.05 0.06 -0.04 2.15 1.69 1ob3A1 GLN 22 HB3 0.08 0.02 -0.02 -0.04 2.02 2.06 1ob3A1 GLN 22 HG2 0.00 0.16 -0.45 -0.04 2.40 2.07 1ob3A1 GLN 22 HG3 -0.06 -0.07 -0.27 -0.04 2.39 1.95 1ob3A1 GLN 22 HE21 0.01 -0.07 -0.02 -0.04 6.97 6.85 1ob3A1 GLN 22 HE22 -0.02 -0.04 -0.06 -0.04 7.69 7.53 1ob3A1 ASN 23 H 0.29 0.26 0.14 -0.55 8.53 8.67 1ob3A1 ASN 23 HA -0.13 0.41 0.89 -0.75 4.76 5.19 1ob3A1 ASN 23 HB2 0.02 -0.03 0.22 -0.04 2.88 3.05 1ob3A1 ASN 23 HB3 -0.19 0.11 0.10 -0.04 2.79 2.77 1ob3A1 ASN 23 HD21 0.04 -0.02 -0.03 -0.04 7.03 6.98 1ob3A1 ASN 23 HD22 -0.13 0.10 -0.02 -0.04 7.74 7.65 1ob3A1 ASN 24 H 0.12 0.28 0.16 -0.55 8.53 8.55 1ob3A1 ASN 24 HA 0.06 0.16 0.62 -0.75 4.76 4.84 1ob3A1 ASN 24 HB2 -0.04 0.05 0.12 -0.04 2.88 2.97 1ob3A1 ASN 24 HB3 -0.14 0.01 0.09 -0.04 2.79 2.70 1ob3A1 ASN 24 HD21 -0.10 -0.01 -0.01 -0.04 7.03 6.88 1ob3A1 ASN 24 HD22 -0.09 -0.00 0.00 -0.04 7.74 7.61 1ob3A1 TYR 25 H 0.44 0.01 -0.54 -0.55 8.29 7.65 1ob3A1 TYR 25 HA 0.01 0.24 0.79 -0.75 4.56 4.85 1ob3A1 TYR 25 HB2 0.05 -0.09 -0.01 -0.04 3.06 2.97 1ob3A1 TYR 25 HB3 0.03 0.05 0.13 -0.04 2.98 3.15 1ob3A1 TYR 25 HD2 0.00 -0.09 -0.02 -0.04 7.15 7.00 1ob3A1 TYR 25 HE2 -0.04 0.02 -0.02 -0.04 6.85 6.78 1ob3A1 GLY 26 H 0.20 0.29 -0.21 -0.55 8.43 8.17 1ob3A1 GLY 26 HA2 0.14 0.06 0.29 -0.51 4.01 3.99 1ob3A1 GLY 26 HA3 0.09 0.13 0.58 -0.51 4.01 4.30 1ob3A1 GLU 27 H 0.13 -0.05 -0.35 -0.55 8.60 7.79 1ob3A1 GLU 27 HA -0.06 0.09 0.33 -0.75 4.29 3.90 1ob3A1 GLU 27 HB2 -0.07 -0.01 -0.08 -0.04 2.09 1.89 1ob3A1 GLU 27 HB3 -0.22 0.05 0.06 -0.04 1.99 1.83 1ob3A1 GLU 27 HG2 0.02 0.07 -0.04 -0.04 2.34 2.35 1ob3A1 GLU 27 HG3 0.08 -0.14 -0.06 -0.04 2.34 2.18 1ob3A1 THR 28 H -0.21 0.10 0.22 -0.55 8.28 7.84 1ob3A1 THR 28 HA -0.08 0.38 1.12 -0.75 4.39 5.06 1ob3A1 THR 28 HB -0.10 -0.08 0.20 -0.04 4.32 4.30 1ob3A1 THR 28 HG23 -0.18 -0.00 -0.06 -0.04 1.22 0.93 1ob3A1 PHE 29 H 0.10 0.64 0.34 -0.55 8.34 8.86 1ob3A1 PHE 29 HA 0.05 0.07 0.79 -0.75 4.62 4.78 1ob3A1 PHE 29 HB2 -0.07 -0.04 -0.12 -0.04 3.15 2.88 1ob3A1 PHE 29 HB3 -0.03 0.15 0.06 -0.04 3.06 3.20 1ob3A1 PHE 29 HD2 -0.11 0.04 -0.22 -0.04 7.28 6.95 1ob3A1 PHE 29 HE2 -0.90 -0.06 -0.13 -0.04 7.38 6.25 1ob3A1 PHE 29 HZ -0.36 -0.02 -0.10 -0.04 7.32 6.80 1ob3A1 ALA 30 H 0.31 0.69 0.19 -0.55 8.40 9.04 1ob3A1 ALA 30 HA 0.12 0.29 0.99 -0.75 4.34 4.98 1ob3A1 ALA 30 HB3 0.26 -0.03 -0.03 -0.04 1.41 1.58 1ob3A1 LEU 31 H 0.13 0.76 0.35 -0.55 8.37 9.06 1ob3A1 LEU 31 HA 0.05 0.32 1.00 -0.75 4.35 4.97 1ob3A1 LEU 31 HB2 0.09 -0.08 0.05 -0.04 1.64 1.66 1ob3A1 LEU 31 HB3 -0.03 -0.01 -0.10 -0.04 1.64 1.46 1ob3A1 LEU 31 HG -0.16 0.01 -0.37 -0.04 1.64 1.08 1ob3A1 LEU 31 HD13 -0.30 -0.01 -0.20 -0.04 0.93 0.38 1ob3A1 LEU 31 HD23 -0.57 0.04 -0.22 -0.04 0.89 0.10 1ob3A1 LYS 32 H 0.17 0.67 0.28 -0.55 8.42 8.98 1ob3A1 LYS 32 HA 0.15 0.29 0.96 -0.75 4.32 4.96 1ob3A1 LYS 32 HB2 0.23 -0.01 -0.12 -0.04 1.87 1.92 1ob3A1 LYS 32 HB3 0.32 -0.05 0.13 -0.04 1.79 2.14 1ob3A1 LYS 32 HG2 0.15 -0.01 -0.42 -0.04 1.46 1.15 1ob3A1 LYS 32 HG3 0.10 0.06 -0.38 -0.04 1.46 1.20 1ob3A1 LYS 32 HD2 0.06 -0.00 -0.15 -0.04 1.69 1.56 1ob3A1 LYS 32 HD3 0.21 0.01 -0.12 -0.04 1.68 1.75 1ob3A1 LYS 32 HE2 0.29 0.03 -0.10 -0.04 2.99 3.17 1ob3A1 LYS 32 HE3 0.24 0.07 -0.24 -0.04 2.99 3.02 1ob3A1 LYS 33 H 0.18 0.54 0.16 -0.55 8.42 8.75 1ob3A1 LYS 33 HA 0.08 0.18 0.89 -0.75 4.32 4.71 1ob3A1 LYS 33 HB2 0.10 -0.02 0.01 -0.04 1.87 1.92 1ob3A1 LYS 33 HB3 0.21 -0.04 0.18 -0.04 1.79 2.10 1ob3A1 LYS 33 HG2 0.06 -0.04 -0.26 -0.04 1.46 1.18 1ob3A1 LYS 33 HG3 0.05 0.08 -0.07 -0.04 1.46 1.48 1ob3A1 LYS 33 HD2 0.03 -0.00 -0.05 -0.04 1.69 1.63 1ob3A1 LYS 33 HD3 0.09 -0.04 -0.02 -0.04 1.68 1.66 1ob3A1 LYS 33 HE2 0.04 0.04 -0.03 -0.04 2.99 2.99 1ob3A1 LYS 33 HE3 0.03 0.03 0.01 -0.04 2.99 3.01 1ob3A1 ILE 34 H 0.03 0.59 0.30 -0.55 8.25 8.62 1ob3A1 ILE 34 HA -0.03 0.11 0.36 -0.75 4.18 3.87 1ob3A1 ILE 34 HB -0.09 -0.06 0.08 -0.04 1.89 1.77 1ob3A1 ILE 34 HG12 0.05 0.09 -0.04 -0.04 1.49 1.55 1ob3A1 ILE 34 HG13 0.04 -0.04 -0.09 -0.04 1.21 1.08 1ob3A1 ILE 34 HG23 -0.60 0.02 -0.11 -0.04 0.93 0.20 1ob3A1 ILE 34 HD13 0.04 -0.02 -0.19 -0.04 0.88 0.67 1ob3A1 ARG 35 H -0.04 0.70 0.45 -0.55 8.46 9.03 1ob3A1 ARG 35 HA -0.01 -0.01 0.50 -0.75 4.34 4.07 1ob3A1 ARG 35 HB2 -0.01 -0.06 0.11 -0.04 1.90 1.90 1ob3A1 ARG 35 HB3 -0.02 0.14 0.10 -0.04 1.80 1.97 1ob3A1 ARG 35 HG2 -0.01 -0.05 -0.29 -0.04 1.67 1.28 1ob3A1 ARG 35 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.53 1ob3A1 ARG 35 HD2 -0.02 -0.03 -0.08 -0.04 3.22 3.06 1ob3A1 ARG 35 HD3 -0.02 0.04 -0.09 -0.04 3.22 3.10 1ob3A1 LEU 36 H -0.01 0.20 0.13 -0.55 8.37 8.14 1ob3A1 LEU 36 HA -0.03 0.12 0.69 -0.75 4.35 4.38 1ob3A1 LEU 36 HB2 0.01 -0.02 0.03 -0.04 1.64 1.62 1ob3A1 LEU 36 HB3 0.01 0.00 -0.15 -0.04 1.64 1.46 1ob3A1 LEU 36 HG -0.00 0.16 0.01 -0.04 1.64 1.77 1ob3A1 LEU 36 HD13 0.04 0.00 -0.19 -0.04 0.93 0.74 1ob3A1 LEU 36 HD23 -0.04 -0.00 -0.28 -0.04 0.89 0.53 1ob3A1 GLU 37 H -0.01 0.26 0.06 -0.55 8.60 8.36 1ob3A1 GLU 37 HA 0.00 0.07 0.39 -0.75 4.29 3.99 1ob3A1 GLU 37 HB2 0.00 0.08 0.12 -0.04 2.09 2.25 1ob3A1 GLU 37 HB3 0.01 -0.05 0.09 -0.04 1.99 2.00 1ob3A1 GLU 37 HG2 0.01 0.02 0.00 -0.04 2.34 2.33 1ob3A1 GLU 37 HG3 0.01 -0.03 -0.10 -0.04 2.34 2.18 1ob3A1 LYS 38 H 0.01 0.14 -0.20 -0.55 8.42 7.81 1ob3A1 LYS 38 HA 0.01 0.17 0.87 -0.75 4.32 4.61 1ob3A1 LYS 38 HB2 0.02 0.01 0.16 -0.04 1.87 2.02 1ob3A1 LYS 38 HB3 0.02 -0.01 0.05 -0.04 1.79 1.81 1ob3A1 LYS 38 HG2 0.01 0.09 -0.19 -0.04 1.46 1.33 1ob3A1 LYS 38 HG3 0.01 -0.07 -0.10 -0.04 1.46 1.26 1ob3A1 LYS 38 HD2 0.02 -0.01 0.00 -0.04 1.69 1.66 1ob3A1 LYS 38 HD3 0.01 0.02 -0.03 -0.04 1.68 1.65 1ob3A1 LYS 38 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 1ob3A1 LYS 38 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 1ob3A1 GLU 39 H 0.01 0.28 0.06 -0.55 8.60 8.41 1ob3A1 GLU 39 HA 0.02 0.10 0.23 -0.75 4.29 3.88 1ob3A1 GLU 39 HB2 0.01 0.11 0.13 -0.04 2.09 2.29 1ob3A1 GLU 39 HB3 0.01 -0.07 0.13 -0.04 1.99 2.03 1ob3A1 GLU 39 HG2 0.01 -0.04 -0.21 -0.04 2.34 2.06 1ob3A1 GLU 39 HG3 0.02 0.08 0.09 -0.04 2.34 2.48 1ob3A1 ASP 40 H 0.02 0.06 -0.21 -0.55 8.40 7.71 1ob3A1 ASP 40 HA 0.02 0.10 0.29 -0.75 4.63 4.28 1ob3A1 ASP 40 HB2 0.01 0.01 -0.02 -0.04 2.71 2.67 1ob3A1 ASP 40 HB3 0.01 0.03 0.05 -0.04 2.70 2.76 1ob3A1 GLU 41 H 0.02 0.26 -0.45 -0.55 8.60 7.88 1ob3A1 GLU 41 HA 0.02 -0.01 0.30 -0.75 4.29 3.85 1ob3A1 GLU 41 HB2 0.02 -0.12 0.09 -0.04 2.09 2.04 1ob3A1 GLU 41 HB3 0.03 0.15 0.13 -0.04 1.99 2.26 1ob3A1 GLU 41 HG2 0.03 0.19 -0.14 -0.04 2.34 2.38 1ob3A1 GLU 41 HG3 0.03 -0.06 0.04 -0.04 2.34 2.30 1ob3A1 GLY 42 H 0.04 0.16 -0.19 -0.55 8.43 7.89 1ob3A1 GLY 42 HA2 0.08 -0.04 0.27 -0.51 4.01 3.81 1ob3A1 GLY 42 HA3 0.06 0.15 0.62 -0.51 4.01 4.33 1ob3A1 ILE 43 H 0.18 0.14 0.09 -0.55 8.25 8.11 1ob3A1 ILE 43 HA 0.04 0.26 0.86 -0.75 4.18 4.58 1ob3A1 ILE 43 HB -0.18 -0.07 0.07 -0.04 1.89 1.68 1ob3A1 ILE 43 HG12 0.04 0.08 -0.08 -0.04 1.49 1.48 1ob3A1 ILE 43 HG13 0.07 -0.06 -0.52 -0.04 1.21 0.66 1ob3A1 ILE 43 HG23 -0.09 0.03 -0.11 -0.04 0.93 0.73 1ob3A1 ILE 43 HD13 0.02 -0.01 -0.17 -0.04 0.88 0.68 1ob3A1 PRO 44 HA 0.04 0.14 0.53 -0.51 4.44 4.64 1ob3A1 PRO 44 HB2 0.01 -0.17 0.01 -0.04 2.28 2.09 1ob3A1 PRO 44 HB3 0.02 0.10 0.11 -0.04 2.02 2.21 1ob3A1 PRO 44 HG2 0.01 0.02 0.06 -0.04 2.03 2.08 1ob3A1 PRO 44 HG3 0.02 0.13 0.04 -0.04 2.03 2.19 1ob3A1 PRO 44 HD2 0.02 0.09 0.19 -0.04 3.68 3.94 1ob3A1 PRO 44 HD3 0.04 0.35 0.07 -0.04 3.65 4.07 1ob3A1 SER 45 H 0.02 0.19 0.19 -0.55 8.46 8.32 1ob3A1 SER 45 HA 0.01 0.11 0.38 -0.75 4.49 4.24 1ob3A1 SER 45 HB2 0.01 0.05 0.09 -0.04 3.95 4.06 1ob3A1 SER 45 HB3 0.02 0.05 0.16 -0.04 3.93 4.12 1ob3A1 THR 46 H -0.00 0.09 -0.09 -0.55 8.28 7.73 1ob3A1 THR 46 HA -0.02 0.08 0.45 -0.75 4.39 4.15 1ob3A1 THR 46 HB -0.01 -0.02 0.04 -0.04 4.32 4.29 1ob3A1 THR 46 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.09 1ob3A1 THR 47 H -0.03 0.16 -0.40 -0.55 8.28 7.46 1ob3A1 THR 47 HA -0.09 0.11 0.41 -0.75 4.39 4.06 1ob3A1 THR 47 HB -0.04 0.12 0.06 -0.04 4.32 4.43 1ob3A1 THR 47 HG23 -0.06 0.01 -0.11 -0.04 1.22 1.02 1ob3A1 ILE 48 H -0.06 0.39 -0.09 -0.55 8.25 7.95 1ob3A1 ILE 48 HA -0.08 0.03 0.36 -0.75 4.18 3.73 1ob3A1 ILE 48 HB -0.03 0.07 0.13 -0.04 1.89 2.02 1ob3A1 ILE 48 HG12 -0.11 0.18 -0.08 -0.04 1.49 1.44 1ob3A1 ILE 48 HG13 -0.05 -0.01 -0.04 -0.04 1.21 1.06 1ob3A1 ILE 48 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.79 1ob3A1 ILE 48 HD13 -0.38 -0.01 -0.09 -0.04 0.88 0.36 1ob3A1 ARG 49 H -0.04 0.52 -0.27 -0.55 8.46 8.13 1ob3A1 ARG 49 HA -0.03 0.00 0.39 -0.75 4.34 3.95 1ob3A1 ARG 49 HB2 -0.03 0.14 0.15 -0.04 1.90 2.12 1ob3A1 ARG 49 HB3 -0.02 -0.03 0.02 -0.04 1.80 1.72 1ob3A1 ARG 49 HG2 -0.01 -0.05 0.02 -0.04 1.67 1.58 1ob3A1 ARG 49 HG3 -0.01 0.30 0.08 -0.04 1.67 1.99 1ob3A1 ARG 49 HD2 -0.01 0.01 -0.02 -0.04 3.22 3.16 1ob3A1 ARG 49 HD3 -0.01 -0.02 -0.03 -0.04 3.22 3.13 1ob3A1 GLU 50 H -0.07 0.50 -0.13 -0.55 8.60 8.35 1ob3A1 GLU 50 HA -0.05 0.02 0.42 -0.75 4.29 3.93 1ob3A1 GLU 50 HB2 -0.12 0.09 0.10 -0.04 2.09 2.13 1ob3A1 GLU 50 HB3 -0.09 -0.04 0.01 -0.04 1.99 1.83 1ob3A1 GLU 50 HG2 -0.05 0.12 0.08 -0.04 2.34 2.45 1ob3A1 GLU 50 HG3 -0.05 -0.00 -0.03 -0.04 2.34 2.22 1ob3A1 ILE 51 H -0.10 0.40 -0.31 -0.55 8.25 7.69 1ob3A1 ILE 51 HA -0.09 0.11 0.74 -0.75 4.18 4.19 1ob3A1 ILE 51 HB -0.07 0.08 0.09 -0.04 1.89 1.94 1ob3A1 ILE 51 HG12 -0.30 -0.05 -0.04 -0.04 1.49 1.05 1ob3A1 ILE 51 HG13 -0.27 0.12 -0.03 -0.04 1.21 0.98 1ob3A1 ILE 51 HG23 -0.03 -0.02 -0.11 -0.04 0.93 0.73 1ob3A1 ILE 51 HD13 -0.07 -0.03 -0.14 -0.04 0.88 0.60 1ob3A1 SER 52 H -0.05 0.58 -0.01 -0.55 8.46 8.43 1ob3A1 SER 52 HA -0.04 0.00 0.29 -0.75 4.49 3.99 1ob3A1 SER 52 HB2 -0.03 0.07 0.18 -0.04 3.95 4.13 1ob3A1 SER 52 HB3 -0.02 -0.05 0.03 -0.04 3.93 3.85 1ob3A1 ILE 53 H -0.03 0.51 -0.17 -0.55 8.25 8.01 1ob3A1 ILE 53 HA -0.01 0.02 0.44 -0.75 4.18 3.88 1ob3A1 ILE 53 HB -0.02 0.08 0.11 -0.04 1.89 2.01 1ob3A1 ILE 53 HG12 -0.01 -0.02 0.04 -0.04 1.49 1.46 1ob3A1 ILE 53 HG13 -0.01 -0.04 0.07 -0.04 1.21 1.20 1ob3A1 ILE 53 HG23 -0.01 0.03 -0.12 -0.04 0.93 0.78 1ob3A1 ILE 53 HD13 -0.01 -0.00 -0.01 -0.04 0.88 0.82 1ob3A1 LEU 54 H -0.01 0.38 -0.58 -0.55 8.37 7.61 1ob3A1 LEU 54 HA 0.03 0.02 0.47 -0.75 4.35 4.12 1ob3A1 LEU 54 HB2 0.03 0.14 0.06 -0.04 1.64 1.83 1ob3A1 LEU 54 HB3 0.08 -0.05 0.11 -0.04 1.64 1.74 1ob3A1 LEU 54 HG -0.01 0.15 0.09 -0.04 1.64 1.83 1ob3A1 LEU 54 HD13 0.03 0.04 -0.03 -0.04 0.93 0.92 1ob3A1 LEU 54 HD23 0.05 -0.03 -0.04 -0.04 0.89 0.82 1ob3A1 LYS 55 H -0.02 0.47 -0.41 -0.55 8.42 7.91 1ob3A1 LYS 55 HA -0.04 0.09 0.59 -0.75 4.32 4.21 1ob3A1 LYS 55 HB2 -0.02 0.06 0.06 -0.04 1.87 1.92 1ob3A1 LYS 55 HB3 -0.04 -0.03 0.05 -0.04 1.79 1.73 1ob3A1 LYS 55 HG2 -0.07 -0.04 -0.17 -0.04 1.46 1.14 1ob3A1 LYS 55 HG3 -0.04 0.10 0.06 -0.04 1.46 1.54 1ob3A1 LYS 55 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.61 1ob3A1 LYS 55 HD3 -0.04 -0.01 -0.26 -0.04 1.68 1.33 1ob3A1 LYS 55 HE2 -0.03 -0.04 0.03 -0.04 2.99 2.91 1ob3A1 LYS 55 HE3 -0.02 -0.00 0.01 -0.04 2.99 2.93 1ob3A1 GLU 56 H 0.01 0.42 -0.32 -0.55 8.60 8.16 1ob3A1 GLU 56 HA 0.02 0.04 0.51 -0.75 4.29 4.11 1ob3A1 GLU 56 HB2 0.01 0.19 0.10 -0.04 2.09 2.36 1ob3A1 GLU 56 HB3 0.02 -0.08 0.11 -0.04 1.99 1.99 1ob3A1 GLU 56 HG2 0.00 -0.04 0.01 -0.04 2.34 2.27 1ob3A1 GLU 56 HG3 -0.00 0.04 0.08 -0.04 2.34 2.41 1ob3A1 LEU 57 H 0.05 0.46 -0.43 -0.55 8.37 7.90 1ob3A1 LEU 57 HA 0.30 0.01 0.60 -0.75 4.35 4.51 1ob3A1 LEU 57 HB2 0.09 0.14 0.18 -0.04 1.64 2.01 1ob3A1 LEU 57 HB3 0.16 -0.11 -0.04 -0.04 1.64 1.62 1ob3A1 LEU 57 HG 0.07 0.03 0.02 -0.04 1.64 1.72 1ob3A1 LEU 57 HD13 0.06 -0.02 -0.04 -0.04 0.93 0.89 1ob3A1 LEU 57 HD23 0.06 -0.00 -0.11 -0.04 0.89 0.80 1ob3A1 LYS 58 H 0.20 0.25 0.11 -0.55 8.42 8.42 1ob3A1 LYS 58 HA -0.06 0.13 0.81 -0.75 4.32 4.44 1ob3A1 LYS 58 HB2 0.04 0.02 0.14 -0.04 1.87 2.04 1ob3A1 LYS 58 HB3 -0.04 -0.07 0.02 -0.04 1.79 1.66 1ob3A1 LYS 58 HG2 -0.04 -0.05 -0.06 -0.04 1.46 1.26 1ob3A1 LYS 58 HG3 -0.01 0.14 -0.57 -0.04 1.46 0.99 1ob3A1 LYS 58 HD2 0.03 0.07 -0.03 -0.04 1.69 1.72 1ob3A1 LYS 58 HD3 0.00 -0.09 -0.01 -0.04 1.68 1.53 1ob3A1 LYS 58 HE2 -0.04 -0.02 -0.02 -0.04 2.99 2.88 1ob3A1 LYS 58 HE3 -0.01 0.16 -0.00 -0.04 2.99 3.09 1ob3A1 HIS 59 H -0.14 0.43 0.11 -0.55 8.41 8.27 1ob3A1 HIS 59 HA -0.36 0.14 0.77 -0.75 4.63 4.43 1ob3A1 HIS 59 HB2 -1.76 0.13 -0.28 -0.04 3.26 1.31 1ob3A1 HIS 59 HB3 -0.56 -0.02 -0.10 -0.04 3.20 2.48 1ob3A1 HIS 59 HD2 -0.30 0.08 0.04 -0.04 6.97 6.75 1ob3A1 HIS 59 HE1 -0.09 0.05 -0.14 -0.04 7.75 7.52 1ob3A1 SER 60 H -0.74 0.18 0.13 -0.55 8.46 7.49 1ob3A1 SER 60 HA -0.12 0.11 0.29 -0.75 4.49 4.02 1ob3A1 SER 60 HB2 -0.11 0.02 0.10 -0.04 3.95 3.92 1ob3A1 SER 60 HB3 -0.21 0.01 0.11 -0.04 3.93 3.80 1ob3A1 ASN 61 H 0.44 -0.01 -0.46 -0.55 8.53 7.95 1ob3A1 ASN 61 HA 0.03 0.39 1.02 -0.75 4.76 5.44 1ob3A1 ASN 61 HB2 0.15 -0.10 0.06 -0.04 2.88 2.95 1ob3A1 ASN 61 HB3 0.04 0.01 0.20 -0.04 2.79 3.00 1ob3A1 ASN 61 HD21 0.02 -0.08 -0.00 -0.04 7.03 6.92 1ob3A1 ASN 61 HD22 0.02 0.50 0.12 -0.04 7.74 8.34 1ob3A1 ILE 62 H 0.04 0.54 -0.22 -0.55 8.25 8.06 1ob3A1 ILE 62 HA 0.06 0.09 0.88 -0.75 4.18 4.45 1ob3A1 ILE 62 HB -0.04 -0.00 0.02 -0.04 1.89 1.83 1ob3A1 ILE 62 HG12 -0.16 -0.19 -0.27 -0.04 1.49 0.83 1ob3A1 ILE 62 HG13 -0.12 0.03 -0.09 -0.04 1.21 0.99 1ob3A1 ILE 62 HG23 0.07 0.04 -0.12 -0.04 0.93 0.89 1ob3A1 ILE 62 HD13 -0.07 0.07 -0.03 -0.04 0.88 0.81 1ob3A1 VAL 63 H 0.06 0.41 0.00 -0.55 8.24 8.16 1ob3A1 VAL 63 HA 0.07 -0.03 0.46 -0.75 4.13 3.89 1ob3A1 VAL 63 HB 0.04 -0.05 0.11 -0.04 2.12 2.18 1ob3A1 VAL 63 HG13 0.14 0.01 -0.15 -0.04 0.97 0.93 1ob3A1 VAL 63 HG23 -0.01 -0.01 -0.35 -0.04 0.95 0.53 1ob3A1 LYS 64 H 0.10 0.03 0.22 -0.55 8.42 8.22 1ob3A1 LYS 64 HA 0.00 0.23 0.43 -0.75 4.32 4.23 1ob3A1 LYS 64 HB2 -0.08 0.05 0.14 -0.04 1.87 1.94 1ob3A1 LYS 64 HB3 -0.08 -0.16 0.17 -0.04 1.79 1.68 1ob3A1 LYS 64 HG2 -0.64 0.00 -0.40 -0.04 1.46 0.38 1ob3A1 LYS 64 HG3 -0.24 0.15 0.02 -0.04 1.46 1.36 1ob3A1 LYS 64 HD2 -0.21 -0.03 -0.01 -0.04 1.69 1.40 1ob3A1 LYS 64 HD3 -0.73 -0.09 -0.05 -0.04 1.68 0.77 1ob3A1 LYS 64 HE2 -0.21 -0.07 -0.03 -0.04 2.99 2.65 1ob3A1 LYS 64 HE3 -0.81 -0.01 -0.08 -0.04 2.99 2.06 1ob3A1 LEU 65 H -0.00 0.32 0.23 -0.55 8.37 8.37 1ob3A1 LEU 65 HA -0.25 0.07 0.90 -0.75 4.35 4.32 1ob3A1 LEU 65 HB2 -0.09 -0.01 0.01 -0.04 1.64 1.52 1ob3A1 LEU 65 HB3 -0.07 0.08 0.00 -0.04 1.64 1.61 1ob3A1 LEU 65 HG -0.20 -0.03 -0.38 -0.04 1.64 0.99 1ob3A1 LEU 65 HD13 -0.82 0.04 -0.03 -0.04 0.93 0.08 1ob3A1 LEU 65 HD23 -0.09 -0.03 -0.18 -0.04 0.89 0.55 1ob3A1 TYR 66 H 0.03 0.66 0.37 -0.55 8.29 8.80 1ob3A1 TYR 66 HA -0.03 0.16 0.69 -0.75 4.56 4.63 1ob3A1 TYR 66 HB2 -0.13 0.05 0.01 -0.04 3.06 2.95 1ob3A1 TYR 66 HB3 -0.12 -0.04 -0.06 -0.04 2.98 2.72 1ob3A1 TYR 66 HD2 0.11 0.01 -0.13 -0.04 7.15 7.10 1ob3A1 TYR 66 HE2 0.18 -0.06 -0.03 -0.04 6.85 6.90 1ob3A1 ASP 67 H -0.08 0.32 0.28 -0.55 8.40 8.37 1ob3A1 ASP 67 HA -0.03 0.20 0.84 -0.75 4.63 4.88 1ob3A1 ASP 67 HB2 -0.02 0.03 -0.37 -0.04 2.71 2.32 1ob3A1 ASP 67 HB3 -0.04 -0.05 -0.11 -0.04 2.70 2.45 1ob3A1 VAL 68 H -0.03 0.27 0.11 -0.55 8.24 8.05 1ob3A1 VAL 68 HA -0.04 0.18 0.84 -0.75 4.13 4.35 1ob3A1 VAL 68 HB -0.02 -0.01 0.15 -0.04 2.12 2.20 1ob3A1 VAL 68 HG13 -0.01 -0.00 -0.13 -0.04 0.97 0.78 1ob3A1 VAL 68 HG23 -0.06 -0.00 -0.25 -0.04 0.95 0.59 1ob3A1 ILE 69 H 0.01 0.76 0.21 -0.55 8.25 8.68 1ob3A1 ILE 69 HA 0.05 0.13 0.89 -0.75 4.18 4.49 1ob3A1 ILE 69 HB 0.03 -0.04 0.11 -0.04 1.89 1.95 1ob3A1 ILE 69 HG12 0.04 0.01 -0.22 -0.04 1.49 1.28 1ob3A1 ILE 69 HG13 0.01 -0.14 -0.36 -0.04 1.21 0.68 1ob3A1 ILE 69 HG23 0.05 -0.00 -0.21 -0.04 0.93 0.72 1ob3A1 ILE 69 HD13 0.05 0.03 -0.23 -0.04 0.88 0.70 1ob3A1 HIS 70 H 0.13 0.25 0.09 -0.55 8.41 8.33 1ob3A1 HIS 70 HA 0.02 0.31 0.90 -0.75 4.63 5.10 1ob3A1 HIS 70 HB2 0.02 -0.01 -0.03 -0.04 3.26 3.20 1ob3A1 HIS 70 HB3 0.01 -0.00 0.21 -0.04 3.20 3.38 1ob3A1 HIS 70 HD2 0.01 -0.01 -0.00 -0.04 6.97 6.93 1ob3A1 HIS 70 HE1 0.02 -0.08 -0.06 -0.04 7.75 7.59 1ob3A1 THR 71 H 0.05 0.50 0.05 -0.55 8.28 8.33 1ob3A1 THR 71 HA -0.13 0.07 0.65 -0.75 4.39 4.23 1ob3A1 THR 71 HB -0.03 -0.01 -0.02 -0.04 4.32 4.22 1ob3A1 THR 71 HG23 -0.00 -0.01 -0.14 -0.04 1.22 1.03 1ob3A1 LYS 72 H -0.15 0.12 0.07 -0.55 8.42 7.91 1ob3A1 LYS 72 HA -0.05 0.01 0.37 -0.75 4.32 3.89 1ob3A1 LYS 72 HB2 -0.02 0.17 -0.24 -0.04 1.87 1.74 1ob3A1 LYS 72 HB3 -0.02 0.03 0.07 -0.04 1.79 1.83 1ob3A1 LYS 72 HG2 -0.04 -0.05 0.00 -0.04 1.46 1.33 1ob3A1 LYS 72 HG3 -0.02 0.03 -0.09 -0.04 1.46 1.34 1ob3A1 LYS 72 HD2 -0.01 0.02 -0.01 -0.04 1.69 1.64 1ob3A1 LYS 72 HD3 -0.02 0.01 0.01 -0.04 1.68 1.64 1ob3A1 LYS 72 HE2 -0.03 -0.01 0.02 -0.04 2.99 2.93 1ob3A1 LYS 72 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.94 1ob3A1 LYS 73 H -0.03 0.04 0.05 -0.55 8.42 7.93 1ob3A1 LYS 73 HA 0.06 -0.00 0.29 -0.75 4.32 3.91 1ob3A1 LYS 73 HB2 0.01 0.13 0.02 -0.04 1.87 1.99 1ob3A1 LYS 73 HB3 0.02 0.06 0.14 -0.04 1.79 1.98 1ob3A1 LYS 73 HG2 0.01 0.01 -0.02 -0.04 1.46 1.42 1ob3A1 LYS 73 HG3 -0.00 -0.13 -0.39 -0.04 1.46 0.89 1ob3A1 LYS 73 HD2 0.01 0.01 -0.09 -0.04 1.69 1.57 1ob3A1 LYS 73 HD3 0.01 0.01 -0.12 -0.04 1.68 1.54 1ob3A1 LYS 73 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 1ob3A1 LYS 73 HE3 -0.00 -0.03 -0.05 -0.04 2.99 2.87 1ob3A1 ARG 74 H 0.07 0.04 -0.51 -0.55 8.46 7.51 1ob3A1 ARG 74 HA 0.05 0.13 0.73 -0.75 4.34 4.49 1ob3A1 ARG 74 HB2 0.04 0.12 0.03 -0.04 1.90 2.04 1ob3A1 ARG 74 HB3 0.03 -0.07 -0.02 -0.04 1.80 1.70 1ob3A1 ARG 74 HG2 0.02 0.15 -0.27 -0.04 1.67 1.53 1ob3A1 ARG 74 HG3 0.01 0.24 -0.05 -0.04 1.67 1.84 1ob3A1 ARG 74 HD2 0.01 -0.04 -0.02 -0.04 3.22 3.12 1ob3A1 ARG 74 HD3 0.01 -0.06 -0.01 -0.04 3.22 3.13 1ob3A1 LEU 75 H 0.05 0.29 0.12 -0.55 8.37 8.29 1ob3A1 LEU 75 HA 0.11 0.32 1.01 -0.75 4.35 5.04 1ob3A1 LEU 75 HB2 0.04 -0.04 -0.14 -0.04 1.64 1.46 1ob3A1 LEU 75 HB3 0.02 0.01 0.10 -0.04 1.64 1.73 1ob3A1 LEU 75 HG 0.06 -0.01 -0.30 -0.04 1.64 1.34 1ob3A1 LEU 75 HD13 -0.05 0.03 -0.13 -0.04 0.93 0.73 1ob3A1 LEU 75 HD23 0.10 -0.01 -0.12 -0.04 0.89 0.82 1ob3A1 VAL 76 H 0.05 0.71 0.29 -0.55 8.24 8.74 1ob3A1 VAL 76 HA 0.05 0.28 1.11 -0.75 4.13 4.81 1ob3A1 VAL 76 HB -0.01 -0.02 -0.01 -0.04 2.12 2.05 1ob3A1 VAL 76 HG13 -0.02 0.01 -0.29 -0.04 0.97 0.63 1ob3A1 VAL 76 HG23 0.01 0.00 -0.22 -0.04 0.95 0.71 1ob3A1 LEU 77 H 0.08 0.61 0.34 -0.55 8.37 8.86 1ob3A1 LEU 77 HA -0.09 0.24 1.03 -0.75 4.35 4.77 1ob3A1 LEU 77 HB2 0.28 -0.07 0.12 -0.04 1.64 1.92 1ob3A1 LEU 77 HB3 -0.31 0.06 0.04 -0.04 1.64 1.39 1ob3A1 LEU 77 HG 0.14 0.02 -0.08 -0.04 1.64 1.67 1ob3A1 LEU 77 HD13 0.27 -0.00 -0.07 -0.04 0.93 1.09 1ob3A1 LEU 77 HD23 0.02 0.03 -0.19 -0.04 0.89 0.71 1ob3A1 VAL 78 H -0.19 0.63 0.30 -0.55 8.24 8.43 1ob3A1 VAL 78 HA -0.05 0.31 1.03 -0.75 4.13 4.67 1ob3A1 VAL 78 HB -0.11 -0.18 0.19 -0.04 2.12 1.98 1ob3A1 VAL 78 HG13 -0.34 0.02 -0.14 -0.04 0.97 0.46 1ob3A1 VAL 78 HG23 -0.18 0.02 -0.18 -0.04 0.95 0.57 1ob3A1 PHE 79 H 0.28 0.78 0.36 -0.55 8.34 9.22 1ob3A1 PHE 79 HA 0.27 0.18 1.04 -0.75 4.62 5.35 1ob3A1 PHE 79 HB2 0.14 -0.04 -0.04 -0.04 3.15 3.17 1ob3A1 PHE 79 HB3 0.15 0.11 -0.01 -0.04 3.06 3.28 1ob3A1 PHE 79 HD2 0.09 0.10 -0.30 -0.04 7.28 7.13 1ob3A1 PHE 79 HE2 0.08 0.03 -0.09 -0.04 7.38 7.36 1ob3A1 PHE 79 HZ 0.08 0.00 -0.07 -0.04 7.32 7.29 1ob3A1 GLU 80 H 0.50 0.57 0.27 -0.55 8.60 9.39 1ob3A1 GLU 80 HA 0.38 0.05 0.63 -0.75 4.29 4.59 1ob3A1 GLU 80 HB2 0.36 0.05 0.20 -0.04 2.09 2.67 1ob3A1 GLU 80 HB3 0.24 -0.08 0.20 -0.04 1.99 2.31 1ob3A1 GLU 80 HG2 0.10 0.00 -0.33 -0.04 2.34 2.07 1ob3A1 GLU 80 HG3 0.15 0.03 0.03 -0.04 2.34 2.51 1ob3A1 HIS 81 H 0.15 0.22 0.21 -0.55 8.41 8.44 1ob3A1 HIS 81 HA 0.07 0.15 0.73 -0.75 4.63 4.82 1ob3A1 HIS 81 HB2 0.04 -0.05 -0.28 -0.04 3.26 2.92 1ob3A1 HIS 81 HB3 -0.04 0.04 -0.02 -0.04 3.20 3.14 1ob3A1 HIS 81 HD2 -0.02 -0.04 -0.19 -0.04 6.97 6.67 1ob3A1 HIS 81 HE1 0.00 0.02 -0.10 -0.04 7.75 7.64 1ob3A1 LEU 82 H -0.30 0.27 0.15 -0.55 8.37 7.95 1ob3A1 LEU 82 HA -0.26 0.12 0.79 -0.75 4.35 4.25 1ob3A1 LEU 82 HB2 -0.13 0.02 -0.01 -0.04 1.64 1.47 1ob3A1 LEU 82 HB3 -0.13 0.05 -0.11 -0.04 1.64 1.41 1ob3A1 LEU 82 HG -0.07 0.04 -0.12 -0.04 1.64 1.45 1ob3A1 LEU 82 HD13 -0.02 -0.02 -0.44 -0.04 0.93 0.41 1ob3A1 LEU 82 HD23 -0.05 -0.02 -0.38 -0.04 0.89 0.40 1ob3A1 ASP 83 H -0.18 0.11 0.18 -0.55 8.40 7.96 1ob3A1 ASP 83 HA -0.14 0.12 0.32 -0.75 4.63 4.17 1ob3A1 ASP 83 HB2 -0.05 -0.04 0.12 -0.04 2.71 2.70 1ob3A1 ASP 83 HB3 -0.01 0.03 0.05 -0.04 2.70 2.73 1ob3A1 GLN 84 H -0.10 0.25 0.02 -0.55 8.47 8.09 1ob3A1 GLN 84 HA -0.04 0.18 0.93 -0.75 4.36 4.68 1ob3A1 GLN 84 HB2 -0.02 0.02 -0.19 -0.04 2.15 1.92 1ob3A1 GLN 84 HB3 -0.04 0.16 -0.01 -0.04 2.02 2.09 1ob3A1 GLN 84 HG2 -0.01 0.00 -0.11 -0.04 2.40 2.25 1ob3A1 GLN 84 HG3 -0.04 -0.01 -0.13 -0.04 2.39 2.17 1ob3A1 GLN 84 HE21 0.01 0.06 -0.15 -0.04 6.97 6.85 1ob3A1 GLN 84 HE22 0.02 0.00 -0.07 -0.04 7.69 7.60 1ob3A1 ASP 85 H -0.04 0.18 0.21 -0.55 8.40 8.20 1ob3A1 ASP 85 HA -0.10 0.21 0.59 -0.75 4.63 4.57 1ob3A1 ASP 85 HB2 -0.08 0.14 0.09 -0.04 2.71 2.81 1ob3A1 ASP 85 HB3 -0.07 0.10 -0.09 -0.04 2.70 2.60 1ob3A1 LEU 86 H -0.11 0.70 0.30 -0.55 8.37 8.71 1ob3A1 LEU 86 HA -0.07 0.05 0.23 -0.75 4.35 3.80 1ob3A1 LEU 86 HB2 -0.19 0.08 0.12 -0.04 1.64 1.60 1ob3A1 LEU 86 HB3 -0.09 0.04 0.23 -0.04 1.64 1.77 1ob3A1 LEU 86 HG 0.01 -0.01 -0.11 -0.04 1.64 1.48 1ob3A1 LEU 86 HD13 0.01 0.00 -0.01 -0.04 0.93 0.89 1ob3A1 LEU 86 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.78 1ob3A1 LYS 87 H -0.04 0.18 -0.36 -0.55 8.42 7.64 1ob3A1 LYS 87 HA 0.03 0.12 0.39 -0.75 4.32 4.11 1ob3A1 LYS 87 HB2 -0.02 -0.15 -0.11 -0.04 1.87 1.55 1ob3A1 LYS 87 HB3 -0.02 0.01 -0.04 -0.04 1.79 1.70 1ob3A1 LYS 87 HG2 0.03 0.06 -0.17 -0.04 1.46 1.34 1ob3A1 LYS 87 HG3 0.05 0.02 -0.01 -0.04 1.46 1.49 1ob3A1 LYS 87 HD2 -0.02 -0.08 -0.02 -0.04 1.69 1.53 1ob3A1 LYS 87 HD3 -0.02 0.02 -0.05 -0.04 1.68 1.59 1ob3A1 LYS 87 HE2 0.02 0.01 -0.03 -0.04 2.99 2.95 1ob3A1 LYS 87 HE3 -0.03 0.03 -0.02 -0.04 2.99 2.92 1ob3A1 LYS 88 H -0.01 0.07 -0.25 -0.55 8.42 7.67 1ob3A1 LYS 88 HA 0.01 0.10 0.38 -0.75 4.32 4.06 1ob3A1 LYS 88 HB2 -0.01 -0.07 0.15 -0.04 1.87 1.90 1ob3A1 LYS 88 HB3 0.00 0.06 -0.00 -0.04 1.79 1.80 1ob3A1 LYS 88 HG2 -0.00 0.05 0.03 -0.04 1.46 1.49 1ob3A1 LYS 88 HG3 -0.01 -0.07 0.01 -0.04 1.46 1.34 1ob3A1 LYS 88 HD2 -0.02 -0.10 0.05 -0.04 1.69 1.58 1ob3A1 LYS 88 HD3 -0.01 0.05 0.05 -0.04 1.68 1.72 1ob3A1 LYS 88 HE2 -0.01 0.00 0.02 -0.04 2.99 2.96 1ob3A1 LYS 88 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.93 1ob3A1 LEU 89 H 0.00 0.49 -0.09 -0.55 8.37 8.22 1ob3A1 LEU 89 HA 0.03 0.05 0.48 -0.75 4.35 4.16 1ob3A1 LEU 89 HB2 0.03 -0.04 0.03 -0.04 1.64 1.62 1ob3A1 LEU 89 HB3 0.04 0.05 0.11 -0.04 1.64 1.80 1ob3A1 LEU 89 HG 0.10 0.05 -0.30 -0.04 1.64 1.45 1ob3A1 LEU 89 HD13 0.06 -0.01 -0.03 -0.04 0.93 0.91 1ob3A1 LEU 89 HD23 0.22 -0.02 -0.10 -0.04 0.89 0.96 1ob3A1 LEU 90 H 0.04 0.65 -0.05 -0.55 8.37 8.47 1ob3A1 LEU 90 HA 0.05 0.03 0.43 -0.75 4.35 4.11 1ob3A1 LEU 90 HB2 0.06 0.02 0.10 -0.04 1.64 1.78 1ob3A1 LEU 90 HB3 0.06 0.11 0.05 -0.04 1.64 1.81 1ob3A1 LEU 90 HG 0.07 0.02 0.08 -0.04 1.64 1.77 1ob3A1 LEU 90 HD13 0.07 -0.02 -0.14 -0.04 0.93 0.79 1ob3A1 LEU 90 HD23 0.08 0.00 0.03 -0.04 0.89 0.96 1ob3A1 ASP 91 H 0.03 0.36 -0.38 -0.55 8.40 7.87 1ob3A1 ASP 91 HA 0.04 0.04 0.43 -0.75 4.63 4.38 1ob3A1 ASP 91 HB2 0.02 0.12 0.13 -0.04 2.71 2.95 1ob3A1 ASP 91 HB3 0.03 -0.07 0.05 -0.04 2.70 2.66 1ob3A1 VAL 92 H 0.03 0.40 -0.42 -0.55 8.24 7.70 1ob3A1 VAL 92 HA 0.02 0.16 0.88 -0.75 4.13 4.43 1ob3A1 VAL 92 HB 0.02 -0.08 0.20 -0.04 2.12 2.21 1ob3A1 VAL 92 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.84 1ob3A1 VAL 92 HG23 0.02 0.03 0.02 -0.04 0.95 0.98 1ob3A1 CYS 93 H 0.03 0.44 -0.26 -0.55 8.50 8.16 1ob3A1 CYS 93 HA 0.02 0.09 0.88 -0.75 4.58 4.82 1ob3A1 CYS 93 HB2 0.04 -0.01 0.12 -0.04 2.97 3.08 1ob3A1 CYS 93 HB3 0.03 0.17 -0.09 -0.04 2.97 3.04 1ob3A1 GLU 94 H 0.01 0.13 -0.01 -0.55 8.60 8.18 1ob3A1 GLU 94 HA 0.01 0.03 0.32 -0.75 4.29 3.89 1ob3A1 GLU 94 HB2 0.01 -0.00 0.09 -0.04 2.09 2.14 1ob3A1 GLU 94 HB3 0.01 -0.02 0.12 -0.04 1.99 2.05 1ob3A1 GLU 94 HG2 0.00 0.06 -0.30 -0.04 2.34 2.07 1ob3A1 GLU 94 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 1ob3A1 GLY 95 H 0.00 0.12 0.21 -0.55 8.43 8.22 1ob3A1 GLY 95 HA2 -0.00 0.04 0.32 -0.51 4.01 3.85 1ob3A1 GLY 95 HA3 -0.00 0.04 0.47 -0.51 4.01 4.01 1ob3A1 GLY 96 H 0.02 0.45 -0.22 -0.55 8.43 8.12 1ob3A1 GLY 96 HA2 0.03 -0.03 0.34 -0.51 4.01 3.84 1ob3A1 GLY 96 HA3 0.02 0.19 0.53 -0.51 4.01 4.25 1ob3A1 LEU 97 H 0.04 0.74 0.29 -0.55 8.37 8.89 1ob3A1 LEU 97 HA 0.02 0.05 0.46 -0.75 4.35 4.12 1ob3A1 LEU 97 HB2 0.05 -0.01 -0.02 -0.04 1.64 1.62 1ob3A1 LEU 97 HB3 -0.01 -0.12 0.02 -0.04 1.64 1.50 1ob3A1 LEU 97 HG 0.09 0.11 0.05 -0.04 1.64 1.84 1ob3A1 LEU 97 HD13 0.19 -0.03 -0.09 -0.04 0.93 0.96 1ob3A1 LEU 97 HD23 0.09 0.00 -0.15 -0.04 0.89 0.79 1ob3A1 GLU 98 H -0.01 0.09 0.16 -0.55 8.60 8.29 1ob3A1 GLU 98 HA -0.01 0.16 0.60 -0.75 4.29 4.29 1ob3A1 GLU 98 HB2 -0.04 -0.09 0.13 -0.04 2.09 2.05 1ob3A1 GLU 98 HB3 -0.02 -0.09 0.09 -0.04 1.99 1.93 1ob3A1 GLU 98 HG2 -0.01 0.07 0.11 -0.04 2.34 2.46 1ob3A1 GLU 98 HG3 -0.02 -0.00 0.07 -0.04 2.34 2.35 1ob3A1 SER 99 H -0.00 0.19 0.21 -0.55 8.46 8.31 1ob3A1 SER 99 HA 0.05 0.17 0.26 -0.75 4.49 4.22 1ob3A1 SER 99 HB2 0.05 -0.00 0.12 -0.04 3.95 4.07 1ob3A1 SER 99 HB3 0.02 0.17 0.22 -0.04 3.93 4.30 1ob3A1 VAL 100 H -0.03 0.07 -0.18 -0.55 8.24 7.55 1ob3A1 VAL 100 HA -0.06 0.12 0.46 -0.75 4.13 3.90 1ob3A1 VAL 100 HB -0.05 0.02 0.08 -0.04 2.12 2.13 1ob3A1 VAL 100 HG13 -0.05 -0.00 -0.01 -0.04 0.97 0.87 1ob3A1 VAL 100 HG23 -0.06 0.03 -0.05 -0.04 0.95 0.83 1ob3A1 THR 101 H -0.09 0.13 -0.22 -0.55 8.28 7.54 1ob3A1 THR 101 HA -0.32 0.09 0.59 -0.75 4.39 4.00 1ob3A1 THR 101 HB -0.16 0.15 0.08 -0.04 4.32 4.35 1ob3A1 THR 101 HG23 -0.62 0.01 -0.06 -0.04 1.22 0.51 1ob3A1 ALA 102 H -0.04 0.53 -0.17 -0.55 8.40 8.18 1ob3A1 ALA 102 HA 0.05 0.02 0.40 -0.75 4.34 4.05 1ob3A1 ALA 102 HB3 0.15 0.04 -0.04 -0.04 1.41 1.52 1ob3A1 LYS 103 H 0.02 0.47 -0.24 -0.55 8.42 8.12 1ob3A1 LYS 103 HA 0.17 0.01 0.42 -0.75 4.32 4.17 1ob3A1 LYS 103 HB2 -0.11 -0.00 0.10 -0.04 1.87 1.82 1ob3A1 LYS 103 HB3 -0.07 0.07 0.16 -0.04 1.79 1.92 1ob3A1 LYS 103 HG2 0.04 -0.00 -0.22 -0.04 1.46 1.24 1ob3A1 LYS 103 HG3 -0.26 -0.07 -0.01 -0.04 1.46 1.07 1ob3A1 LYS 103 HD2 -0.18 -0.02 0.01 -0.04 1.69 1.45 1ob3A1 LYS 103 HD3 -0.27 0.09 0.04 -0.04 1.68 1.50 1ob3A1 LYS 103 HE2 -1.76 -0.08 0.01 -0.04 2.99 1.11 1ob3A1 LYS 103 HE3 -0.41 -0.08 0.00 -0.04 2.99 2.46 1ob3A1 SER 104 H -0.07 0.44 -0.21 -0.55 8.46 8.07 1ob3A1 SER 104 HA 0.02 0.02 0.42 -0.75 4.49 4.20 1ob3A1 SER 104 HB2 -0.09 0.03 0.16 -0.04 3.95 4.02 1ob3A1 SER 104 HB3 -0.26 0.09 0.23 -0.04 3.93 3.95 1ob3A1 PHE 105 H -0.12 0.62 -0.09 -0.55 8.34 8.21 1ob3A1 PHE 105 HA 0.00 0.01 0.49 -0.75 4.62 4.37 1ob3A1 PHE 105 HB2 0.02 0.11 0.11 -0.04 3.15 3.35 1ob3A1 PHE 105 HB3 0.00 -0.08 -0.03 -0.04 3.06 2.92 1ob3A1 PHE 105 HD2 0.01 -0.01 -0.09 -0.04 7.28 7.15 1ob3A1 PHE 105 HE2 0.00 0.06 -0.10 -0.04 7.38 7.29 1ob3A1 PHE 105 HZ 0.00 -0.02 -0.10 -0.04 7.32 7.16 1ob3A1 LEU 106 H 0.14 0.67 -0.18 -0.55 8.37 8.45 1ob3A1 LEU 106 HA 0.03 -0.04 0.42 -0.75 4.35 4.01 1ob3A1 LEU 106 HB2 -0.14 0.09 0.09 -0.04 1.64 1.64 1ob3A1 LEU 106 HB3 0.14 0.09 0.12 -0.04 1.64 1.95 1ob3A1 LEU 106 HG 0.13 -0.04 -0.20 -0.04 1.64 1.48 1ob3A1 LEU 106 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.67 1ob3A1 LEU 106 HD23 -1.01 -0.00 -0.08 -0.04 0.89 -0.24 1ob3A1 LEU 107 H 0.14 0.70 -0.10 -0.55 8.37 8.56 1ob3A1 LEU 107 HA -0.43 -0.01 0.47 -0.75 4.35 3.62 1ob3A1 LEU 107 HB2 -0.19 0.05 0.13 -0.04 1.64 1.59 1ob3A1 LEU 107 HB3 -0.03 0.14 0.19 -0.04 1.64 1.90 1ob3A1 LEU 107 HG -0.16 -0.06 -0.13 -0.04 1.64 1.25 1ob3A1 LEU 107 HD13 -0.60 -0.02 0.05 -0.04 0.93 0.33 1ob3A1 LEU 107 HD23 -0.06 0.01 0.01 -0.04 0.89 0.81 1ob3A1 GLN 108 H 0.04 0.49 -0.22 -0.55 8.47 8.24 1ob3A1 GLN 108 HA -0.00 -0.01 0.42 -0.75 4.36 4.02 1ob3A1 GLN 108 HB2 0.08 0.09 0.19 -0.04 2.15 2.47 1ob3A1 GLN 108 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 1ob3A1 GLN 108 HG2 0.03 -0.07 0.05 -0.04 2.40 2.36 1ob3A1 GLN 108 HG3 0.07 0.31 0.14 -0.04 2.39 2.87 1ob3A1 GLN 108 HE21 0.22 0.48 0.16 -0.04 6.97 7.79 1ob3A1 GLN 108 HE22 0.20 0.05 -0.18 -0.04 7.69 7.71 1ob3A1 LEU 109 H 0.02 0.68 -0.05 -0.55 8.37 8.47 1ob3A1 LEU 109 HA -0.01 -0.00 0.48 -0.75 4.35 4.06 1ob3A1 LEU 109 HB2 -0.01 0.03 0.08 -0.04 1.64 1.70 1ob3A1 LEU 109 HB3 -0.00 0.15 0.19 -0.04 1.64 1.94 1ob3A1 LEU 109 HG -0.02 -0.03 -0.20 -0.04 1.64 1.35 1ob3A1 LEU 109 HD13 -0.04 -0.03 -0.01 -0.04 0.93 0.81 1ob3A1 LEU 109 HD23 -0.02 -0.00 -0.06 -0.04 0.89 0.76 1ob3A1 LEU 110 H -0.05 0.72 -0.13 -0.55 8.37 8.36 1ob3A1 LEU 110 HA -0.05 -0.05 0.44 -0.75 4.35 3.93 1ob3A1 LEU 110 HB2 -0.14 0.17 0.12 -0.04 1.64 1.74 1ob3A1 LEU 110 HB3 -0.07 -0.05 -0.00 -0.04 1.64 1.48 1ob3A1 LEU 110 HG -0.02 0.08 0.03 -0.04 1.64 1.69 1ob3A1 LEU 110 HD13 0.06 -0.01 -0.15 -0.04 0.93 0.80 1ob3A1 LEU 110 HD23 0.00 -0.03 0.01 -0.04 0.89 0.83 1ob3A1 ASN 111 H -0.08 0.59 -0.17 -0.55 8.53 8.33 1ob3A1 ASN 111 HA -0.06 -0.01 0.48 -0.75 4.76 4.41 1ob3A1 ASN 111 HB2 0.00 0.16 0.21 -0.04 2.88 3.21 1ob3A1 ASN 111 HB3 0.13 -0.09 -0.00 -0.04 2.79 2.78 1ob3A1 ASN 111 HD21 -0.12 -0.03 0.00 -0.04 7.03 6.84 1ob3A1 ASN 111 HD22 -0.11 0.30 -0.01 -0.04 7.74 7.88 1ob3A1 GLY 112 H -0.07 0.65 -0.08 -0.55 8.43 8.37 1ob3A1 GLY 112 HA2 -0.54 -0.06 0.36 -0.51 4.01 3.25 1ob3A1 GLY 112 HA3 -0.12 0.16 0.26 -0.51 4.01 3.79 1ob3A1 ILE 113 H -0.08 0.61 -0.15 -0.55 8.25 8.07 1ob3A1 ILE 113 HA -0.16 0.00 0.45 -0.75 4.18 3.71 1ob3A1 ILE 113 HB -0.09 0.12 0.17 -0.04 1.89 2.06 1ob3A1 ILE 113 HG12 0.22 -0.12 0.02 -0.04 1.49 1.58 1ob3A1 ILE 113 HG13 0.11 0.12 0.06 -0.04 1.21 1.46 1ob3A1 ILE 113 HG23 -0.43 -0.04 -0.10 -0.04 0.93 0.32 1ob3A1 ILE 113 HD13 -0.00 -0.02 -0.11 -0.04 0.88 0.72 1ob3A1 ALA 114 H -0.13 0.74 -0.13 -0.55 8.40 8.34 1ob3A1 ALA 114 HA -0.05 -0.12 0.39 -0.75 4.34 3.81 1ob3A1 ALA 114 HB3 -0.03 0.02 0.05 -0.04 1.41 1.41 1ob3A1 TYR 115 H -0.12 0.49 -0.25 -0.55 8.29 7.86 1ob3A1 TYR 115 HA -0.11 0.01 0.37 -0.75 4.56 4.08 1ob3A1 TYR 115 HB2 -0.45 0.00 0.10 -0.04 3.06 2.67 1ob3A1 TYR 115 HB3 -0.51 0.17 0.14 -0.04 2.98 2.73 1ob3A1 TYR 115 HD2 -0.09 0.00 -0.09 -0.04 7.15 6.93 1ob3A1 TYR 115 HE2 -0.00 -0.01 -0.03 -0.04 6.85 6.77 1ob3A1 CYS 116 H -0.22 0.46 -0.15 -0.55 8.50 8.05 1ob3A1 CYS 116 HA -0.26 0.06 0.40 -0.75 4.58 4.03 1ob3A1 CYS 116 HB2 -0.76 0.04 0.17 -0.04 2.97 2.37 1ob3A1 CYS 116 HB3 -0.46 0.04 -0.03 -0.04 2.97 2.48 1ob3A1 HIS 117 H -0.04 0.71 0.02 -0.55 8.41 8.56 1ob3A1 HIS 117 HA 0.05 0.00 0.49 -0.75 4.63 4.43 1ob3A1 HIS 117 HB2 0.01 0.09 0.17 -0.04 3.26 3.50 1ob3A1 HIS 117 HB3 0.04 -0.08 0.06 -0.04 3.20 3.17 1ob3A1 HIS 117 HD2 0.19 0.35 0.03 -0.04 6.97 7.49 1ob3A1 HIS 117 HE1 0.08 0.07 0.11 -0.04 7.75 7.97 1ob3A1 ASP 118 H -0.02 0.55 -0.22 -0.55 8.40 8.16 1ob3A1 ASP 118 HA 0.01 -0.03 0.42 -0.75 4.63 4.28 1ob3A1 ASP 118 HB2 -0.13 0.20 0.16 -0.04 2.71 2.90 1ob3A1 ASP 118 HB3 -0.08 -0.03 0.04 -0.04 2.70 2.59 1ob3A1 ARG 119 H -0.11 0.34 -0.49 -0.55 8.46 7.65 1ob3A1 ARG 119 HA -0.07 0.12 0.75 -0.75 4.34 4.38 1ob3A1 ARG 119 HB2 -0.17 0.08 0.12 -0.04 1.90 1.90 1ob3A1 ARG 119 HB3 -0.10 -0.04 0.14 -0.04 1.80 1.76 1ob3A1 ARG 119 HG2 -0.18 -0.03 -0.01 -0.04 1.67 1.41 1ob3A1 ARG 119 HG3 -0.27 -0.06 -0.20 -0.04 1.67 1.10 1ob3A1 ARG 119 HD2 -0.98 0.14 -0.06 -0.04 3.22 2.28 1ob3A1 ARG 119 HD3 -0.35 -0.03 -0.05 -0.04 3.22 2.75 1ob3A1 ARG 120 H 0.05 0.46 -0.33 -0.55 8.46 8.09 1ob3A1 ARG 120 HA 0.21 -0.02 0.28 -0.75 4.34 4.05 1ob3A1 ARG 120 HB2 0.01 0.23 -0.03 -0.04 1.90 2.07 1ob3A1 ARG 120 HB3 0.02 -0.10 0.19 -0.04 1.80 1.87 1ob3A1 ARG 120 HG2 0.04 -0.01 -0.00 -0.04 1.67 1.67 1ob3A1 ARG 120 HG3 -0.01 0.06 -0.24 -0.04 1.67 1.44 1ob3A1 ARG 120 HD2 -0.09 0.02 -0.04 -0.04 3.22 3.07 1ob3A1 ARG 120 HD3 -0.24 -0.06 0.01 -0.04 3.22 2.89 1ob3A1 VAL 121 H 0.10 0.61 -0.21 -0.55 8.24 8.19 1ob3A1 VAL 121 HA 0.16 0.15 0.92 -0.75 4.13 4.61 1ob3A1 VAL 121 HB 0.02 -0.05 0.01 -0.04 2.12 2.07 1ob3A1 VAL 121 HG13 0.24 -0.02 -0.18 -0.04 0.97 0.98 1ob3A1 VAL 121 HG23 0.03 0.05 -0.15 -0.04 0.95 0.83 1ob3A1 LEU 122 H 0.19 0.22 0.10 -0.55 8.37 8.33 1ob3A1 LEU 122 HA 0.40 0.16 0.80 -0.75 4.35 4.95 1ob3A1 LEU 122 HB2 0.04 0.06 -0.04 -0.04 1.64 1.66 1ob3A1 LEU 122 HB3 0.01 -0.09 -0.03 -0.04 1.64 1.49 1ob3A1 LEU 122 HG -0.04 0.11 -0.26 -0.04 1.64 1.41 1ob3A1 LEU 122 HD13 -0.58 0.02 -0.10 -0.04 0.93 0.23 1ob3A1 LEU 122 HD23 -0.36 0.02 -0.27 -0.04 0.89 0.24 1ob3A1 HIS 123 H 0.09 0.08 0.14 -0.55 8.41 8.17 1ob3A1 HIS 123 HA -0.29 0.12 1.08 -0.75 4.63 4.78 1ob3A1 HIS 123 HB2 -1.76 0.08 0.03 -0.04 3.26 1.58 1ob3A1 HIS 123 HB3 -0.40 -0.11 0.15 -0.04 3.20 2.79 1ob3A1 HIS 123 HD2 -0.65 -0.03 -0.19 -0.04 6.97 6.05 1ob3A1 HIS 123 HE1 -0.07 0.20 -0.29 -0.04 7.75 7.54 1ob3A1 ARG 124 H 0.08 0.04 0.11 -0.55 8.46 8.14 1ob3A1 ARG 124 HA 0.08 0.01 0.27 -0.75 4.34 3.95 1ob3A1 ARG 124 HB2 0.04 0.23 -0.01 -0.04 1.90 2.12 1ob3A1 ARG 124 HB3 0.05 0.08 0.09 -0.04 1.80 1.98 1ob3A1 ARG 124 HG2 0.02 0.02 -0.01 -0.04 1.67 1.66 1ob3A1 ARG 124 HG3 0.02 -0.22 -0.28 -0.04 1.67 1.14 1ob3A1 ARG 124 HD2 -0.01 -0.01 -0.09 -0.04 3.22 3.07 1ob3A1 ARG 124 HD3 0.02 -0.01 -0.23 -0.04 3.22 2.96 1ob3A1 ASP 125 H 0.55 0.04 -0.59 -0.55 8.40 7.85 1ob3A1 ASP 125 HA 0.11 0.26 0.72 -0.75 4.63 4.97 1ob3A1 ASP 125 HB2 0.09 0.07 -0.23 -0.04 2.71 2.60 1ob3A1 ASP 125 HB3 0.17 -0.02 -0.02 -0.04 2.70 2.79 1ob3A1 LEU 126 H -0.04 0.00 -0.10 -0.55 8.37 7.68 1ob3A1 LEU 126 HA -0.54 0.06 0.50 -0.75 4.35 3.62 1ob3A1 LEU 126 HB2 -0.11 0.01 0.06 -0.04 1.64 1.56 1ob3A1 LEU 126 HB3 -0.24 0.07 -0.12 -0.04 1.64 1.31 1ob3A1 LEU 126 HG -0.53 -0.20 0.03 -0.04 1.64 0.90 1ob3A1 LEU 126 HD13 -0.09 0.02 0.02 -0.04 0.93 0.84 1ob3A1 LEU 126 HD23 -0.62 0.03 -0.03 -0.04 0.89 0.24 1ob3A1 LYS 127 H -0.28 0.28 0.21 -0.55 8.42 8.07 1ob3A1 LYS 127 HA -0.87 0.17 0.36 -0.75 4.32 3.22 1ob3A1 LYS 127 HB2 -0.31 -0.01 0.08 -0.04 1.87 1.59 1ob3A1 LYS 127 HB3 -0.22 0.21 -0.14 -0.04 1.79 1.61 1ob3A1 LYS 127 HG2 -0.12 0.04 -0.07 -0.04 1.46 1.26 1ob3A1 LYS 127 HG3 -0.13 -0.24 -0.13 -0.04 1.46 0.92 1ob3A1 LYS 127 HD2 -0.06 -0.01 -0.05 -0.04 1.69 1.52 1ob3A1 LYS 127 HD3 -0.01 0.09 -0.13 -0.04 1.68 1.58 1ob3A1 LYS 127 HE2 -0.04 0.03 -0.03 -0.04 2.99 2.90 1ob3A1 LYS 127 HE3 -0.08 -0.05 -0.05 -0.04 2.99 2.77 1ob3A1 PRO 128 HA -0.13 0.11 0.42 -0.51 4.44 4.33 1ob3A1 PRO 128 HB2 -0.02 0.01 0.03 -0.04 2.28 2.26 1ob3A1 PRO 128 HB3 -0.03 0.06 -0.08 -0.04 2.02 1.93 1ob3A1 PRO 128 HG2 0.10 0.15 0.01 -0.04 2.03 2.24 1ob3A1 PRO 128 HG3 -0.06 0.09 0.01 -0.04 2.03 2.04 1ob3A1 PRO 128 HD2 -0.20 0.13 0.14 -0.04 3.68 3.71 1ob3A1 PRO 128 HD3 -0.88 0.19 0.12 -0.04 3.65 3.03 1ob3A1 GLN 129 H -0.10 0.18 -0.22 -0.55 8.47 7.78 1ob3A1 GLN 129 HA -0.06 -0.04 0.36 -0.75 4.36 3.87 1ob3A1 GLN 129 HB2 -0.06 0.01 0.07 -0.04 2.15 2.13 1ob3A1 GLN 129 HB3 -0.08 0.03 -0.01 -0.04 2.02 1.92 1ob3A1 GLN 129 HG2 -0.06 0.00 -0.10 -0.04 2.40 2.20 1ob3A1 GLN 129 HG3 -0.05 -0.01 0.05 -0.04 2.39 2.33 1ob3A1 GLN 129 HE21 -0.06 0.06 0.01 -0.04 6.97 6.94 1ob3A1 GLN 129 HE22 -0.05 -0.06 0.01 -0.04 7.69 7.55 1ob3A1 ASN 130 H -0.12 0.39 -0.31 -0.55 8.53 7.94 1ob3A1 ASN 130 HA -0.07 0.24 1.02 -0.75 4.76 5.19 1ob3A1 ASN 130 HB2 0.00 0.03 0.23 -0.04 2.88 3.10 1ob3A1 ASN 130 HB3 -0.03 -0.03 -0.03 -0.04 2.79 2.66 1ob3A1 ASN 130 HD21 0.04 0.39 0.08 -0.04 7.03 7.50 1ob3A1 ASN 130 HD22 0.06 -0.07 -0.02 -0.04 7.74 7.67 1ob3A1 LEU 131 H -0.12 0.41 -0.21 -0.55 8.37 7.92 1ob3A1 LEU 131 HA -0.10 0.19 0.98 -0.75 4.35 4.67 1ob3A1 LEU 131 HB2 -0.14 -0.04 0.27 -0.04 1.64 1.68 1ob3A1 LEU 131 HB3 -0.16 0.03 0.03 -0.04 1.64 1.49 1ob3A1 LEU 131 HG -0.16 0.08 -0.13 -0.04 1.64 1.39 1ob3A1 LEU 131 HD13 -0.10 -0.01 -0.10 -0.04 0.93 0.68 1ob3A1 LEU 131 HD23 -0.12 0.02 -0.16 -0.04 0.89 0.59 1ob3A1 LEU 132 H -0.09 0.66 0.21 -0.55 8.37 8.60 1ob3A1 LEU 132 HA -0.11 0.14 0.72 -0.75 4.35 4.35 1ob3A1 LEU 132 HB2 -0.07 -0.03 0.04 -0.04 1.64 1.54 1ob3A1 LEU 132 HB3 -0.10 0.02 0.07 -0.04 1.64 1.59 1ob3A1 LEU 132 HG -0.07 0.04 -0.02 -0.04 1.64 1.55 1ob3A1 LEU 132 HD13 -0.07 -0.01 -0.03 -0.04 0.93 0.77 1ob3A1 LEU 132 HD23 -0.08 -0.02 -0.17 -0.04 0.89 0.58 1ob3A1 ILE 133 H -0.11 0.66 0.20 -0.55 8.25 8.45 1ob3A1 ILE 133 HA -0.12 0.41 0.97 -0.75 4.18 4.69 1ob3A1 ILE 133 HB -0.10 -0.10 -0.16 -0.04 1.89 1.49 1ob3A1 ILE 133 HG12 -0.60 0.04 -0.27 -0.04 1.49 0.61 1ob3A1 ILE 133 HG13 -0.29 -0.02 -0.77 -0.04 1.21 0.09 1ob3A1 ILE 133 HG23 -0.01 0.06 -0.21 -0.04 0.93 0.73 1ob3A1 ILE 133 HD13 -0.32 -0.02 -0.29 -0.04 0.88 0.21 1ob3A1 ASN 134 H -0.03 0.43 0.21 -0.55 8.53 8.59 1ob3A1 ASN 134 HA -0.05 0.13 0.88 -0.75 4.76 4.97 1ob3A1 ASN 134 HB2 -0.03 -0.03 0.22 -0.04 2.88 3.00 1ob3A1 ASN 134 HB3 -0.04 0.10 0.02 -0.04 2.79 2.83 1ob3A1 ASN 134 HD21 -0.01 0.04 -0.02 -0.04 7.03 7.01 1ob3A1 ASN 134 HD22 -0.01 0.08 -0.00 -0.04 7.74 7.76 1ob3A1 ARG 135 H -0.01 0.19 0.19 -0.55 8.46 8.28 1ob3A1 ARG 135 HA 0.01 0.15 0.24 -0.75 4.34 3.99 1ob3A1 ARG 135 HB2 0.00 -0.02 0.14 -0.04 1.90 1.98 1ob3A1 ARG 135 HB3 0.01 0.06 0.04 -0.04 1.80 1.87 1ob3A1 ARG 135 HG2 0.01 0.05 0.03 -0.04 1.67 1.72 1ob3A1 ARG 135 HG3 -0.00 -0.05 0.05 -0.04 1.67 1.63 1ob3A1 ARG 135 HD2 0.01 0.01 0.02 -0.04 3.22 3.22 1ob3A1 ARG 135 HD3 0.01 0.03 0.02 -0.04 3.22 3.23 1ob3A1 GLU 136 H 0.01 -0.04 -0.28 -0.55 8.60 7.75 1ob3A1 GLU 136 HA 0.02 0.21 0.63 -0.75 4.29 4.39 1ob3A1 GLU 136 HB2 0.01 -0.06 0.02 -0.04 2.09 2.01 1ob3A1 GLU 136 HB3 0.01 0.07 0.11 -0.04 1.99 2.14 1ob3A1 GLU 136 HG2 0.00 0.05 0.01 -0.04 2.34 2.36 1ob3A1 GLU 136 HG3 0.00 0.07 -0.04 -0.04 2.34 2.34 1ob3A1 GLY 137 H 0.05 0.42 -0.36 -0.55 8.43 7.99 1ob3A1 GLY 137 HA2 0.19 0.04 0.21 -0.51 4.01 3.94 1ob3A1 GLY 137 HA3 0.10 0.13 0.51 -0.51 4.01 4.24 1ob3A1 GLU 138 H 0.04 -0.09 -0.27 -0.55 8.60 7.73 1ob3A1 GLU 138 HA 0.06 0.17 0.69 -0.75 4.29 4.45 1ob3A1 GLU 138 HB2 0.00 -0.18 0.03 -0.04 2.09 1.91 1ob3A1 GLU 138 HB3 -0.00 0.13 -0.14 -0.04 1.99 1.93 1ob3A1 GLU 138 HG2 0.01 0.06 -0.03 -0.04 2.34 2.34 1ob3A1 GLU 138 HG3 0.01 -0.01 -0.11 -0.04 2.34 2.19 1ob3A1 LEU 139 H 0.02 0.19 0.17 -0.55 8.37 8.20 1ob3A1 LEU 139 HA -0.15 0.33 0.84 -0.75 4.35 4.61 1ob3A1 LEU 139 HB2 -0.28 -0.00 -0.04 -0.04 1.64 1.28 1ob3A1 LEU 139 HB3 -0.02 -0.05 0.11 -0.04 1.64 1.64 1ob3A1 LEU 139 HG -0.21 0.09 -0.12 -0.04 1.64 1.36 1ob3A1 LEU 139 HD13 -0.28 0.01 -0.05 -0.04 0.93 0.57 1ob3A1 LEU 139 HD23 -0.05 -0.02 -0.42 -0.04 0.89 0.36 1ob3A1 LYS 140 H -0.08 0.81 0.26 -0.55 8.42 8.85 1ob3A1 LYS 140 HA -0.00 0.20 0.73 -0.75 4.32 4.49 1ob3A1 LYS 140 HB2 -0.03 -0.05 -0.14 -0.04 1.87 1.61 1ob3A1 LYS 140 HB3 0.00 -0.06 -0.35 -0.04 1.79 1.34 1ob3A1 LYS 140 HG2 -0.00 0.26 -0.14 -0.04 1.46 1.53 1ob3A1 LYS 140 HG3 -0.02 -0.11 -0.64 -0.04 1.46 0.65 1ob3A1 LYS 140 HD2 -0.00 -0.09 -0.22 -0.04 1.69 1.34 1ob3A1 LYS 140 HD3 0.01 0.07 -0.26 -0.04 1.68 1.45 1ob3A1 LYS 140 HE2 -0.02 0.14 -0.07 -0.04 2.99 3.00 1ob3A1 LYS 140 HE3 -0.01 -0.13 -0.13 -0.04 2.99 2.68 1ob3A1 ILE 141 H 0.04 0.66 0.23 -0.55 8.25 8.62 1ob3A1 ILE 141 HA -0.01 0.20 0.83 -0.75 4.18 4.45 1ob3A1 ILE 141 HB 0.23 -0.02 0.20 -0.04 1.89 2.26 1ob3A1 ILE 141 HG12 -0.00 -0.03 0.01 -0.04 1.49 1.42 1ob3A1 ILE 141 HG13 0.03 0.10 0.09 -0.04 1.21 1.38 1ob3A1 ILE 141 HG23 0.11 -0.01 -0.07 -0.04 0.93 0.92 1ob3A1 ILE 141 HD13 0.14 -0.01 0.04 -0.04 0.88 1.01 1ob3A1 ALA 142 H 0.00 0.77 0.48 -0.55 8.40 9.10 1ob3A1 ALA 142 HA -0.04 0.11 0.80 -0.75 4.34 4.46 1ob3A1 ALA 142 HB3 -0.11 -0.00 0.11 -0.04 1.41 1.37 1ob3A1 ASP 143 H -0.05 0.23 0.14 -0.55 8.40 8.17 1ob3A1 ASP 143 HA 0.04 0.07 0.28 -0.75 4.63 4.26 1ob3A1 ASP 143 HB2 0.19 0.24 -0.06 -0.04 2.71 3.03 1ob3A1 ASP 143 HB3 0.04 -0.05 0.11 -0.04 2.70 2.76 1ob3A1 PHE 144 H 0.29 0.12 -0.36 -0.55 8.34 7.83 1ob3A1 PHE 144 HA -0.08 -0.04 0.43 -0.75 4.62 4.17 1ob3A1 PHE 144 HB2 0.13 0.04 -0.01 -0.04 3.15 3.27 1ob3A1 PHE 144 HB3 0.09 0.08 -0.15 -0.04 3.06 3.05 1ob3A1 PHE 144 HD2 0.11 0.06 -0.27 -0.04 7.28 7.14 1ob3A1 PHE 144 HE2 0.09 0.07 -0.15 -0.04 7.38 7.35 1ob3A1 PHE 144 HZ -0.08 -0.04 0.03 -0.04 7.32 7.18 1ob3A1 GLY 145 H 0.06 0.39 0.30 -0.55 8.43 8.63 1ob3A1 GLY 145 HA2 0.08 0.02 0.45 -0.51 4.01 4.05 1ob3A1 GLY 145 HA3 0.09 0.18 0.55 -0.51 4.01 4.32 1ob3A1 LEU 146 H -0.07 0.49 -0.34 -0.55 8.37 7.90 1ob3A1 LEU 146 HA -0.23 0.10 0.37 -0.75 4.35 3.83 1ob3A1 LEU 146 HB2 0.02 0.11 0.08 -0.04 1.64 1.81 1ob3A1 LEU 146 HB3 -0.22 -0.02 -0.01 -0.04 1.64 1.35 1ob3A1 LEU 146 HG 0.08 0.05 -0.13 -0.04 1.64 1.60 1ob3A1 LEU 146 HD13 0.22 -0.02 -0.04 -0.04 0.93 1.05 1ob3A1 LEU 146 HD23 0.04 0.01 -0.08 -0.04 0.89 0.82 1ob3A1 ALA 147 H -0.07 0.18 -0.09 -0.55 8.40 7.87 1ob3A1 ALA 147 HA 0.10 0.24 0.35 -0.75 4.34 4.28 1ob3A1 ALA 147 HB3 0.03 0.01 0.00 -0.04 1.41 1.41 1ob3A1 ARG 148 H -0.05 0.19 -0.35 -0.55 8.46 7.70 1ob3A1 ARG 148 HA -0.01 0.06 0.44 -0.75 4.34 4.07 1ob3A1 ARG 148 HB2 0.01 -0.08 0.10 -0.04 1.90 1.89 1ob3A1 ARG 148 HB3 -0.05 0.14 0.03 -0.04 1.80 1.88 1ob3A1 ARG 148 HG2 -0.02 0.01 -0.00 -0.04 1.67 1.62 1ob3A1 ARG 148 HG3 0.03 -0.04 0.06 -0.04 1.67 1.67 1ob3A1 ARG 148 HD2 0.05 -0.01 0.05 -0.04 3.22 3.27 1ob3A1 ARG 148 HD3 -0.00 0.05 0.01 -0.04 3.22 3.24 1ob3A1 ALA 149 H -0.27 0.21 -0.30 -0.55 8.40 7.50 1ob3A1 ALA 149 HA -0.25 0.04 0.55 -0.75 4.34 3.93 1ob3A1 ALA 149 HB3 -0.85 0.01 0.02 -0.04 1.41 0.55 1ob3A1 PHE 150 H -0.23 0.46 -0.02 -0.55 8.34 7.99 1ob3A1 PHE 150 HA -0.05 0.13 0.71 -0.75 4.62 4.66 1ob3A1 PHE 150 HB2 -0.48 0.08 -0.07 -0.04 3.15 2.65 1ob3A1 PHE 150 HB3 -0.08 -0.04 0.09 -0.04 3.06 2.99 1ob3A1 PHE 150 HD2 -0.62 0.03 -0.13 -0.04 7.28 6.53 1ob3A1 PHE 150 HE2 -0.15 -0.04 -0.10 -0.04 7.38 7.04 1ob3A1 PHE 150 HZ -0.09 -0.04 -0.11 -0.04 7.32 7.04 1ob3A1 GLY 151 H 0.06 0.49 -0.08 -0.55 8.43 8.36 1ob3A1 GLY 151 HA2 0.08 0.09 0.20 -0.51 4.01 3.88 1ob3A1 GLY 151 HA3 0.12 0.10 0.34 -0.51 4.01 4.05 1ob3A1 ILE 161 HA -0.05 -0.03 0.17 -0.75 4.18 3.52 1ob3A1 ILE 161 HB -0.03 -0.03 -0.01 -0.04 1.89 1.78 1ob3A1 ILE 161 HG12 -0.02 0.01 0.05 -0.04 1.49 1.48 1ob3A1 ILE 161 HG13 -0.01 -0.02 0.05 -0.04 1.21 1.19 1ob3A1 ILE 161 HG23 -0.03 -0.00 -0.01 -0.04 0.93 0.85 1ob3A1 ILE 161 HD13 -0.01 -0.00 0.01 -0.04 0.88 0.83 1ob3A1 VAL 162 H -0.04 0.17 0.13 -0.55 8.24 7.94 1ob3A1 VAL 162 HA -0.08 0.12 0.91 -0.75 4.13 4.33 1ob3A1 VAL 162 HB -0.03 -0.03 0.10 -0.04 2.12 2.11 1ob3A1 VAL 162 HG13 -0.03 -0.02 -0.47 -0.04 0.97 0.41 1ob3A1 VAL 162 HG23 -0.03 0.00 5.61 -0.04 0.95 6.49 1ob3A1 THR 163 H -0.12 0.16 0.03 -0.55 8.28 7.80 1ob3A1 THR 163 HA -0.34 0.17 0.77 -0.75 4.39 4.23 1ob3A1 THR 163 HB -0.15 0.01 0.13 -0.04 4.32 4.26 1ob3A1 THR 163 HG23 -0.59 -0.03 -0.09 -0.04 1.22 0.47 1ob3A1 LEU 164 H -0.07 0.28 0.11 -0.55 8.37 8.14 1ob3A1 LEU 164 HA 0.06 0.18 0.66 -0.75 4.35 4.49 1ob3A1 LEU 164 HB2 0.14 0.05 -0.08 -0.04 1.64 1.72 1ob3A1 LEU 164 HB3 0.07 -0.01 0.03 -0.04 1.64 1.69 1ob3A1 LEU 164 HG 0.01 0.16 -0.27 -0.04 1.64 1.50 1ob3A1 LEU 164 HD13 0.03 -0.01 -0.29 -0.04 0.93 0.62 1ob3A1 LEU 164 HD23 0.02 0.02 -0.19 -0.04 0.89 0.69 1ob3A1 TRP 165 H 0.02 0.07 -0.13 -0.55 7.97 7.38 1ob3A1 TRP 165 HA -0.10 0.22 0.33 -0.75 4.62 4.31 1ob3A1 TRP 165 HB2 -0.80 -0.04 -0.02 -0.04 3.23 2.33 1ob3A1 TRP 165 HB3 -0.60 -0.01 -0.03 -0.04 3.23 2.54 1ob3A1 TRP 165 HD1 -0.06 -0.10 0.07 -0.04 7.22 7.08 1ob3A1 TRP 165 HE1 -0.03 0.35 -0.10 -0.04 10.20 10.38 1ob3A1 TRP 165 HE3 -0.06 -0.04 -0.05 -0.04 7.59 7.40 1ob3A1 TRP 165 HZ2 -0.01 0.05 -0.04 -0.04 7.44 7.40 1ob3A1 TRP 165 HZ3 0.05 0.01 -0.01 -0.04 7.13 7.13 1ob3A1 TRP 165 HH2 0.01 0.02 -0.01 -0.04 7.19 7.17 1ob3A1 TYR 166 H 0.18 0.07 -0.50 -0.55 8.29 7.50 1ob3A1 TYR 166 HA 0.35 0.17 0.64 -0.75 4.56 4.97 1ob3A1 TYR 166 HB2 0.14 0.08 -0.03 -0.04 3.06 3.21 1ob3A1 TYR 166 HB3 0.17 -0.07 0.11 -0.04 2.98 3.14 1ob3A1 TYR 166 HD2 0.11 0.05 -0.09 -0.04 7.15 7.18 1ob3A1 TYR 166 HE2 0.10 0.01 -0.12 -0.04 6.85 6.81 1ob3A1 ARG 167 H 0.22 0.46 -0.20 -0.55 8.46 8.39 1ob3A1 ARG 167 HA 0.15 0.03 0.59 -0.75 4.34 4.37 1ob3A1 ARG 167 HB2 0.05 0.13 0.11 -0.04 1.90 2.15 1ob3A1 ARG 167 HB3 0.01 -0.02 -0.04 -0.04 1.80 1.71 1ob3A1 ARG 167 HG2 0.12 0.00 -0.09 -0.04 1.67 1.66 1ob3A1 ARG 167 HG3 0.09 -0.05 0.03 -0.04 1.67 1.71 1ob3A1 ARG 167 HD2 0.03 -0.02 -0.05 -0.04 3.22 3.14 1ob3A1 ARG 167 HD3 0.04 -0.01 -0.03 -0.04 3.22 3.18 1ob3A1 ALA 168 H -0.06 0.07 0.20 -0.55 8.40 8.06 1ob3A1 ALA 168 HA -1.77 0.24 0.47 -0.75 4.34 2.53 1ob3A1 ALA 168 HB3 -0.26 0.00 0.15 -0.04 1.41 1.26 1ob3A1 PRO 169 HA -0.18 0.09 0.37 -0.51 4.44 4.21 1ob3A1 PRO 169 HB2 0.32 0.04 0.03 -0.04 2.28 2.62 1ob3A1 PRO 169 HB3 0.12 0.07 0.10 -0.04 2.02 2.26 1ob3A1 PRO 169 HG2 -0.52 0.11 0.12 -0.04 2.03 1.70 1ob3A1 PRO 169 HG3 -0.50 0.10 0.08 -0.04 2.03 1.67 1ob3A1 PRO 169 HD2 -1.52 0.11 0.23 -0.04 3.68 2.45 1ob3A1 PRO 169 HD3 -2.20 0.24 0.20 -0.04 3.65 1.85 1ob3A1 ASP 170 H 0.01 0.19 -0.15 -0.55 8.40 7.90 1ob3A1 ASP 170 HA 0.23 0.12 0.37 -0.75 4.63 4.59 1ob3A1 ASP 170 HB2 0.25 -0.00 0.05 -0.04 2.71 2.97 1ob3A1 ASP 170 HB3 0.63 0.10 0.09 -0.04 2.70 3.48 1ob3A1 VAL 171 H -0.04 0.13 -0.31 -0.55 8.24 7.47 1ob3A1 VAL 171 HA 0.02 0.17 0.53 -0.75 4.13 4.10 1ob3A1 VAL 171 HB -0.04 0.16 0.12 -0.04 2.12 2.32 1ob3A1 VAL 171 HG13 0.02 0.02 -0.09 -0.04 0.97 0.88 1ob3A1 VAL 171 HG23 0.00 -0.02 0.04 -0.04 0.95 0.93 1ob3A1 LEU 172 H -0.05 0.49 -0.13 -0.55 8.37 8.13 1ob3A1 LEU 172 HA -0.00 0.01 0.41 -0.75 4.35 4.02 1ob3A1 LEU 172 HB2 -0.06 0.13 0.10 -0.04 1.64 1.77 1ob3A1 LEU 172 HB3 -0.04 -0.05 0.01 -0.04 1.64 1.51 1ob3A1 LEU 172 HG -0.07 0.03 -0.16 -0.04 1.64 1.40 1ob3A1 LEU 172 HD13 -0.14 -0.00 -0.17 -0.04 0.93 0.58 1ob3A1 LEU 172 HD23 -0.01 -0.02 0.00 -0.04 0.89 0.83 1ob3A1 MET 173 H 0.05 0.33 -0.42 -0.55 8.47 7.88 1ob3A1 MET 173 HA 0.07 0.16 0.62 -0.75 4.52 4.61 1ob3A1 MET 173 HB2 0.09 0.05 0.05 -0.04 2.15 2.30 1ob3A1 MET 173 HB3 0.09 -0.14 -0.02 -0.04 2.03 1.92 1ob3A1 MET 173 HG2 0.24 0.11 -0.19 -0.04 2.63 2.74 1ob3A1 MET 173 HG3 0.14 0.03 -0.12 -0.04 2.56 2.57 1ob3A1 MET 173 HE3 0.10 -0.02 -0.16 -0.04 2.10 1.98 1ob3A1 GLY 174 H 0.03 0.41 -0.43 -0.55 8.43 7.90 1ob3A1 GLY 174 HA2 0.03 0.06 0.18 -0.51 4.01 3.77 1ob3A1 GLY 174 HA3 0.03 0.03 0.37 -0.51 4.01 3.92 1ob3A1 SER 175 H 0.05 0.54 0.09 -0.55 8.46 8.60 1ob3A1 SER 175 HA 0.04 -0.00 0.48 -0.75 4.49 4.25 1ob3A1 SER 175 HB2 0.08 0.03 0.03 -0.04 3.95 4.04 1ob3A1 SER 175 HB3 0.06 -0.06 -0.19 -0.04 3.93 3.69 1ob3A1 LYS 176 H 0.04 0.08 0.24 -0.55 8.42 8.22 1ob3A1 LYS 176 HA 0.04 0.25 0.93 -0.75 4.32 4.78 1ob3A1 LYS 176 HB2 0.03 -0.01 0.13 -0.04 1.87 1.98 1ob3A1 LYS 176 HB3 0.03 0.10 0.05 -0.04 1.79 1.93 1ob3A1 LYS 176 HG2 0.03 -0.01 0.03 -0.04 1.46 1.47 1ob3A1 LYS 176 HG3 0.04 -0.04 -0.38 -0.04 1.46 1.04 1ob3A1 LYS 176 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 1ob3A1 LYS 176 HD3 0.03 0.03 0.01 -0.04 1.68 1.70 1ob3A1 LYS 176 HE2 0.02 0.01 -0.01 -0.04 2.99 2.98 1ob3A1 LYS 176 HE3 0.03 -0.04 -0.03 -0.04 2.99 2.91 1ob3A1 LYS 177 H 0.05 -0.02 -0.03 -0.55 8.42 7.87 1ob3A1 LYS 177 HA 0.07 0.04 0.27 -0.75 4.32 3.95 1ob3A1 LYS 177 HB2 0.09 0.15 0.01 -0.04 1.87 2.07 1ob3A1 LYS 177 HB3 0.06 -0.00 0.09 -0.04 1.79 1.89 1ob3A1 LYS 177 HG2 0.06 -0.03 0.02 -0.04 1.46 1.47 1ob3A1 LYS 177 HG3 0.05 -0.04 -0.11 -0.04 1.46 1.32 1ob3A1 LYS 177 HD2 0.07 0.12 -0.08 -0.04 1.69 1.76 1ob3A1 LYS 177 HD3 0.07 0.01 -0.03 -0.04 1.68 1.69 1ob3A1 LYS 177 HE2 0.09 0.00 -0.06 -0.04 2.99 2.98 1ob3A1 LYS 177 HE3 0.05 -0.06 -0.13 -0.04 2.99 2.81 1ob3A1 TYR 178 H 0.17 0.09 0.16 -0.55 8.29 8.16 1ob3A1 TYR 178 HA 0.01 0.06 0.60 -0.75 4.56 4.48 1ob3A1 TYR 178 HB2 0.01 0.06 0.13 -0.04 3.06 3.22 1ob3A1 TYR 178 HB3 0.01 -0.02 0.17 -0.04 2.98 3.09 1ob3A1 TYR 178 HD2 -0.00 0.00 -0.12 -0.04 7.15 7.00 1ob3A1 TYR 178 HE2 -0.01 0.09 -0.07 -0.04 6.85 6.81 1ob3A1 SER 179 H -0.33 0.22 0.12 -0.55 8.46 7.93 1ob3A1 SER 179 HA -0.25 0.12 0.23 -0.75 4.49 3.83 1ob3A1 SER 179 HB2 -0.01 0.21 -0.18 -0.04 3.95 3.93 1ob3A1 SER 179 HB3 -0.06 -0.03 -0.01 -0.04 3.93 3.79 1ob3A1 THR 180 H -0.25 0.27 0.10 -0.55 8.28 7.85 1ob3A1 THR 180 HA -0.49 0.07 0.49 -0.75 4.39 3.71 1ob3A1 THR 180 HB -0.55 -0.03 0.11 -0.04 4.32 3.80 1ob3A1 THR 180 HG23 -0.42 0.03 0.04 -0.04 1.22 0.83 1ob3A1 THR 181 H -0.06 0.11 -0.31 -0.55 8.28 7.47 1ob3A1 THR 181 HA 0.07 0.14 0.31 -0.75 4.39 4.16 1ob3A1 THR 181 HB 0.05 0.12 0.10 -0.04 4.32 4.55 1ob3A1 THR 181 HG23 0.02 0.01 -0.01 -0.04 1.22 1.19 1ob3A1 ILE 182 H -0.00 0.28 -0.35 -0.55 8.25 7.62 1ob3A1 ILE 182 HA 0.09 0.06 0.36 -0.75 4.18 3.93 1ob3A1 ILE 182 HB 0.02 0.02 0.13 -0.04 1.89 2.02 1ob3A1 ILE 182 HG12 0.01 -0.04 0.04 -0.04 1.49 1.47 1ob3A1 ILE 182 HG13 -0.01 -0.07 0.04 -0.04 1.21 1.13 1ob3A1 ILE 182 HG23 0.07 -0.02 -0.04 -0.04 0.93 0.91 1ob3A1 ILE 182 HD13 -0.01 0.04 0.03 -0.04 0.88 0.90 1ob3A1 ASP 183 H 0.13 0.28 -0.18 -0.55 8.40 8.08 1ob3A1 ASP 183 HA 0.12 0.03 0.54 -0.75 4.63 4.57 1ob3A1 ASP 183 HB2 0.39 0.21 0.17 -0.04 2.71 3.43 1ob3A1 ASP 183 HB3 0.14 0.02 0.06 -0.04 2.70 2.88 1ob3A1 ILE 184 H 0.18 0.31 -0.18 -0.55 8.25 8.01 1ob3A1 ILE 184 HA 0.11 -0.03 0.42 -0.75 4.18 3.93 1ob3A1 ILE 184 HB 0.14 0.15 0.14 -0.04 1.89 2.28 1ob3A1 ILE 184 HG12 0.18 0.06 0.07 -0.04 1.49 1.75 1ob3A1 ILE 184 HG13 0.12 0.20 0.06 -0.04 1.21 1.54 1ob3A1 ILE 184 HG23 0.08 0.07 -0.03 -0.04 0.93 1.01 1ob3A1 ILE 184 HD13 0.14 -0.07 -0.09 -0.04 0.88 0.81 1ob3A1 TRP 185 H 0.33 0.34 -0.15 -0.55 7.97 7.94 1ob3A1 TRP 185 HA 0.10 0.24 0.45 -0.75 4.62 4.65 1ob3A1 TRP 185 HB2 0.05 0.03 0.14 -0.04 3.23 3.41 1ob3A1 TRP 185 HB3 0.08 0.07 0.16 -0.04 3.23 3.50 1ob3A1 TRP 185 HD1 0.15 0.20 -0.59 -0.04 7.22 6.94 1ob3A1 TRP 185 HE1 0.14 0.09 -0.29 -0.04 10.20 10.09 1ob3A1 TRP 185 HE3 0.03 0.14 -0.00 -0.04 7.59 7.72 1ob3A1 TRP 185 HZ2 -0.26 0.01 -0.04 -0.04 7.44 7.11 1ob3A1 TRP 185 HZ3 0.02 0.11 -0.53 -0.04 7.13 6.69 1ob3A1 TRP 185 HH2 -0.02 0.03 -0.06 -0.04 7.19 7.11 1ob3A1 SER 186 H 0.33 0.31 -0.14 -0.55 8.46 8.41 1ob3A1 SER 186 HA 0.32 0.08 0.44 -0.75 4.49 4.57 1ob3A1 SER 186 HB2 0.09 0.02 0.12 -0.04 3.95 4.13 1ob3A1 SER 186 HB3 0.11 -0.02 0.00 -0.04 3.93 3.97 1ob3A1 VAL 187 H 0.08 0.45 -0.22 -0.55 8.24 8.00 1ob3A1 VAL 187 HA 0.02 -0.04 0.38 -0.75 4.13 3.73 1ob3A1 VAL 187 HB 0.04 0.20 0.14 -0.04 2.12 2.46 1ob3A1 VAL 187 HG13 0.00 -0.02 -0.15 -0.04 0.97 0.76 1ob3A1 VAL 187 HG23 0.02 0.04 -0.01 -0.04 0.95 0.96 1ob3A1 GLY 188 H -0.03 0.61 -0.17 -0.55 8.43 8.30 1ob3A1 GLY 188 HA2 0.06 -0.05 0.38 -0.51 4.01 3.89 1ob3A1 GLY 188 HA3 -0.14 0.13 0.24 -0.51 4.01 3.73 1ob3A1 CYS 189 H -0.11 0.54 -0.21 -0.55 8.50 8.18 1ob3A1 CYS 189 HA -0.11 0.03 0.39 -0.75 4.58 4.13 1ob3A1 CYS 189 HB2 0.31 0.12 0.16 -0.04 2.97 3.52 1ob3A1 CYS 189 HB3 0.22 -0.11 0.02 -0.04 2.97 3.06 1ob3A1 ILE 190 H 0.10 0.56 -0.19 -0.55 8.25 8.17 1ob3A1 ILE 190 HA 0.13 -0.00 0.41 -0.75 4.18 3.96 1ob3A1 ILE 190 HB 0.03 0.12 0.11 -0.04 1.89 2.10 1ob3A1 ILE 190 HG12 -0.20 -0.10 -0.08 -0.04 1.49 1.06 1ob3A1 ILE 190 HG13 0.00 0.17 -0.03 -0.04 1.21 1.31 1ob3A1 ILE 190 HG23 0.01 -0.02 -0.16 -0.04 0.93 0.71 1ob3A1 ILE 190 HD13 -0.20 -0.03 -0.34 -0.04 0.88 0.28 1ob3A1 PHE 191 H 0.18 0.68 -0.10 -0.55 8.34 8.54 1ob3A1 PHE 191 HA 0.00 -0.03 0.39 -0.75 4.62 4.23 1ob3A1 PHE 191 HB2 -0.04 0.05 0.09 -0.04 3.15 3.21 1ob3A1 PHE 191 HB3 -0.08 0.16 0.18 -0.04 3.06 3.28 1ob3A1 PHE 191 HD2 -0.11 -0.01 -0.01 -0.04 7.28 7.11 1ob3A1 PHE 191 HE2 -0.30 -0.02 -0.06 -0.04 7.38 6.96 1ob3A1 PHE 191 HZ -0.95 -0.11 -0.03 -0.04 7.32 6.19 1ob3A1 ALA 192 H -0.03 0.57 -0.11 -0.55 8.40 8.29 1ob3A1 ALA 192 HA -0.24 -0.02 0.42 -0.75 4.34 3.75 1ob3A1 ALA 192 HB3 -0.14 0.04 0.09 -0.04 1.41 1.37 1ob3A1 GLU 193 H 0.02 0.42 -0.27 -0.55 8.60 8.23 1ob3A1 GLU 193 HA -0.01 0.25 0.30 -0.75 4.29 4.08 1ob3A1 GLU 193 HB2 0.10 -0.01 0.10 -0.04 2.09 2.23 1ob3A1 GLU 193 HB3 0.11 0.04 0.09 -0.04 1.99 2.18 1ob3A1 GLU 193 HG2 0.10 0.01 -0.29 -0.04 2.34 2.12 1ob3A1 GLU 193 HG3 0.06 0.06 -0.55 -0.04 2.34 1.87 1ob3A1 MET 194 H 0.10 0.64 -0.10 -0.55 8.47 8.56 1ob3A1 MET 194 HA 0.09 -0.01 0.51 -0.75 4.52 4.36 1ob3A1 MET 194 HB2 0.21 0.17 0.17 -0.04 2.15 2.65 1ob3A1 MET 194 HB3 0.15 -0.13 0.02 -0.04 2.03 2.04 1ob3A1 MET 194 HG2 0.15 -0.06 0.01 -0.04 2.63 2.69 1ob3A1 MET 194 HG3 0.14 0.20 -0.01 -0.04 2.56 2.85 1ob3A1 MET 194 HE3 0.16 -0.01 -0.10 -0.04 2.10 2.11 1ob3A1 VAL 195 H 0.01 0.43 -0.18 -0.55 8.24 7.96 1ob3A1 VAL 195 HA 0.02 0.08 0.48 -0.75 4.13 3.95 1ob3A1 VAL 195 HB -0.06 0.08 0.08 -0.04 2.12 2.18 1ob3A1 VAL 195 HG13 -0.05 0.03 -0.02 -0.04 0.97 0.89 1ob3A1 VAL 195 HG23 -0.18 -0.01 0.04 -0.04 0.95 0.76 1ob3A1 ASN 196 H -0.03 0.46 -0.06 -0.55 8.53 8.35 1ob3A1 ASN 196 HA -0.04 0.11 0.68 -0.75 4.76 4.77 1ob3A1 ASN 196 HB2 -0.05 0.21 0.08 -0.04 2.88 3.08 1ob3A1 ASN 196 HB3 -0.05 -0.11 0.05 -0.04 2.79 2.64 1ob3A1 ASN 196 HD21 -0.03 0.19 0.22 -0.04 7.03 7.38 1ob3A1 ASN 196 HD22 -0.06 -0.02 -0.02 -0.04 7.74 7.60 1ob3A1 GLY 197 H 0.01 0.38 -0.25 -0.55 8.43 8.02 1ob3A1 GLY 197 HA2 0.02 -0.01 0.34 -0.51 4.01 3.85 1ob3A1 GLY 197 HA3 0.01 -0.04 0.49 -0.51 4.01 3.95 1ob3A1 THR 198 H -0.03 0.19 -0.68 -0.55 8.28 7.21 1ob3A1 THR 198 HA -0.02 0.10 0.52 -0.75 4.39 4.24 1ob3A1 THR 198 HB -0.04 -0.05 -0.03 -0.04 4.32 4.16 1ob3A1 THR 198 HG23 -0.08 0.04 -0.12 -0.04 1.22 1.02 1ob3A1 PRO 199 HA -0.06 0.04 0.45 -0.51 4.44 4.36 1ob3A1 PRO 199 HB2 -0.64 -0.03 -0.15 -0.04 2.28 1.42 1ob3A1 PRO 199 HB3 0.03 -0.02 0.03 -0.04 2.02 2.02 1ob3A1 PRO 199 HG2 -0.65 0.04 0.03 -0.04 2.03 1.41 1ob3A1 PRO 199 HG3 -0.15 0.01 0.04 -0.04 2.03 1.89 1ob3A1 PRO 199 HD2 -0.14 0.10 0.17 -0.04 3.68 3.77 1ob3A1 PRO 199 HD3 -0.00 0.17 0.18 -0.04 3.65 3.97 1ob3A1 LEU 200 H -0.23 0.07 0.12 -0.55 8.37 7.79 1ob3A1 LEU 200 HA -0.36 0.18 0.26 -0.75 4.35 3.67 1ob3A1 LEU 200 HB2 -0.34 0.00 0.07 -0.04 1.64 1.33 1ob3A1 LEU 200 HB3 -0.64 -0.06 0.15 -0.04 1.64 1.04 1ob3A1 LEU 200 HG -1.97 0.02 -0.17 -0.04 1.64 -0.52 1ob3A1 LEU 200 HD13 -0.27 0.01 0.01 -0.04 0.93 0.64 1ob3A1 LEU 200 HD23 -0.53 -0.02 -0.04 -0.04 0.89 0.26 1ob3A1 PHE 201 H -0.30 0.03 -0.10 -0.55 8.34 7.41 1ob3A1 PHE 201 HA -0.24 0.25 0.77 -0.75 4.62 4.65 1ob3A1 PHE 201 HB2 -0.06 0.12 0.20 -0.04 3.15 3.37 1ob3A1 PHE 201 HB3 -0.09 -0.04 0.06 -0.04 3.06 2.95 1ob3A1 PHE 201 HD2 -0.02 0.08 -0.15 -0.04 7.28 7.15 1ob3A1 PHE 201 HE2 -0.22 0.03 -0.03 -0.04 7.38 7.12 1ob3A1 PHE 201 HZ -0.09 0.01 -0.03 -0.04 7.32 7.17 1ob3A1 PRO 202 HA -2.45 0.05 0.62 -0.51 4.44 2.15 1ob3A1 PRO 202 HB2 -0.88 0.01 0.13 -0.04 2.28 1.50 1ob3A1 PRO 202 HB3 -1.86 -0.02 -0.00 -0.04 2.02 0.09 1ob3A1 PRO 202 HG2 -0.37 -0.01 0.02 -0.04 2.03 1.64 1ob3A1 PRO 202 HG3 -0.48 0.13 -0.05 -0.04 2.03 1.58 1ob3A1 PRO 202 HD2 -0.26 0.12 -0.07 -0.04 3.68 3.43 1ob3A1 PRO 202 HD3 -0.40 0.30 -0.66 -0.04 3.65 2.85 1ob3A1 GLY 203 H -0.11 0.37 -0.05 -0.55 8.43 8.09 1ob3A1 GLY 203 HA2 -0.02 0.09 0.30 -0.51 4.01 3.86 1ob3A1 GLY 203 HA3 0.04 -0.02 0.15 -0.51 4.01 3.68 1ob3A1 VAL 204 H 0.05 0.02 0.13 -0.55 8.24 7.88 1ob3A1 VAL 204 HA 0.15 0.26 0.83 -0.75 4.13 4.62 1ob3A1 VAL 204 HB 0.06 0.02 0.13 -0.04 2.12 2.29 1ob3A1 VAL 204 HG13 0.08 0.03 -0.09 -0.04 0.97 0.96 1ob3A1 VAL 204 HG23 0.02 -0.02 -0.04 -0.04 0.95 0.87 1ob3A1 SER 205 H 0.04 0.06 0.10 -0.55 8.46 8.11 1ob3A1 SER 205 HA 0.03 0.27 0.53 -0.75 4.49 4.56 1ob3A1 SER 205 HB2 0.01 0.03 0.18 -0.04 3.95 4.13 1ob3A1 SER 205 HB3 0.02 0.21 -0.16 -0.04 3.93 3.96 1ob3A1 GLU 206 H 0.01 0.25 0.16 -0.55 8.60 8.47 1ob3A1 GLU 206 HA -0.00 0.13 0.42 -0.75 4.29 4.08 1ob3A1 GLU 206 HB2 0.01 -0.05 0.15 -0.04 2.09 2.16 1ob3A1 GLU 206 HB3 0.00 0.15 0.06 -0.04 1.99 2.16 1ob3A1 GLU 206 HG2 0.01 0.03 0.06 -0.04 2.34 2.40 1ob3A1 GLU 206 HG3 0.01 -0.05 0.11 -0.04 2.34 2.36 1ob3A1 ALA 207 H 0.00 0.10 -0.04 -0.55 8.40 7.92 1ob3A1 ALA 207 HA 0.00 0.17 0.44 -0.75 4.34 4.20 1ob3A1 ALA 207 HB3 0.02 0.03 0.05 -0.04 1.41 1.46 1ob3A1 ASP 208 H -0.01 0.01 -0.33 -0.55 8.40 7.52 1ob3A1 ASP 208 HA -0.05 0.14 0.41 -0.75 4.63 4.38 1ob3A1 ASP 208 HB2 -0.01 0.07 0.05 -0.04 2.71 2.78 1ob3A1 ASP 208 HB3 -0.00 -0.22 0.13 -0.04 2.70 2.57 1ob3A1 GLN 209 H -0.04 0.55 -0.20 -0.55 8.47 8.22 1ob3A1 GLN 209 HA -0.07 -0.01 0.41 -0.75 4.36 3.93 1ob3A1 GLN 209 HB2 0.03 -0.04 0.05 -0.04 2.15 2.14 1ob3A1 GLN 209 HB3 -0.06 0.12 0.17 -0.04 2.02 2.21 1ob3A1 GLN 209 HG2 0.02 0.08 -0.04 -0.04 2.40 2.42 1ob3A1 GLN 209 HG3 -0.08 0.01 -0.17 -0.04 2.39 2.10 1ob3A1 GLN 209 HE21 0.16 0.38 0.21 -0.04 6.97 7.67 1ob3A1 GLN 209 HE22 0.09 0.01 -0.00 -0.04 7.69 7.74 1ob3A1 LEU 210 H -0.20 0.47 -0.14 -0.55 8.37 7.94 1ob3A1 LEU 210 HA -0.65 0.04 0.46 -0.75 4.35 3.45 1ob3A1 LEU 210 HB2 -0.34 0.08 0.15 -0.04 1.64 1.49 1ob3A1 LEU 210 HB3 -1.07 -0.02 0.01 -0.04 1.64 0.53 1ob3A1 LEU 210 HG -0.20 0.04 0.05 -0.04 1.64 1.49 1ob3A1 LEU 210 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.81 1ob3A1 LEU 210 HD23 -0.26 0.01 0.02 -0.04 0.89 0.61 1ob3A1 MET 211 H -0.26 0.38 -0.21 -0.55 8.47 7.84 1ob3A1 MET 211 HA -0.22 0.03 0.42 -0.75 4.52 4.00 1ob3A1 MET 211 HB2 -0.09 0.04 0.14 -0.04 2.15 2.20 1ob3A1 MET 211 HB3 -0.05 -0.01 -0.01 -0.04 2.03 1.92 1ob3A1 MET 211 HG2 -0.03 0.12 0.06 -0.04 2.63 2.74 1ob3A1 MET 211 HG3 0.05 -0.05 0.00 -0.04 2.56 2.52 1ob3A1 MET 211 HE3 0.01 -0.00 -0.07 -0.04 2.10 2.00 1ob3A1 ARG 212 H -0.21 0.52 -0.19 -0.55 8.46 8.03 1ob3A1 ARG 212 HA -0.16 0.03 0.40 -0.75 4.34 3.86 1ob3A1 ARG 212 HB2 -0.11 0.09 0.08 -0.04 1.90 1.92 1ob3A1 ARG 212 HB3 0.02 0.03 -0.02 -0.04 1.80 1.78 1ob3A1 ARG 212 HG2 -0.10 0.17 -0.02 -0.04 1.67 1.68 1ob3A1 ARG 212 HG3 -0.10 -0.07 -0.28 -0.04 1.67 1.18 1ob3A1 ARG 212 HD2 -0.11 -0.03 -0.07 -0.04 3.22 2.97 1ob3A1 ARG 212 HD3 -0.09 -0.05 -0.08 -0.04 3.22 2.96 1ob3A1 ILE 213 H -0.45 0.44 -0.19 -0.55 8.25 7.50 1ob3A1 ILE 213 HA -1.19 0.05 0.47 -0.75 4.18 2.75 1ob3A1 ILE 213 HB -0.58 0.09 0.20 -0.04 1.89 1.56 1ob3A1 ILE 213 HG12 -1.09 -0.03 0.01 -0.04 1.49 0.34 1ob3A1 ILE 213 HG13 -0.66 0.04 0.05 -0.04 1.21 0.60 1ob3A1 ILE 213 HG23 -0.03 -0.01 -0.09 -0.04 0.93 0.75 1ob3A1 ILE 213 HD13 -0.27 -0.01 -0.06 -0.04 0.88 0.50 1ob3A1 PHE 214 H -0.40 0.62 -0.06 -0.55 8.34 7.95 1ob3A1 PHE 214 HA -0.10 0.16 0.07 -0.75 4.62 4.00 1ob3A1 PHE 214 HB2 -0.05 0.02 0.02 -0.04 3.15 3.10 1ob3A1 PHE 214 HB3 0.06 -0.09 -0.20 -0.04 3.06 2.79 1ob3A1 PHE 214 HD2 -0.21 -0.00 -0.09 -0.04 7.28 6.94 1ob3A1 PHE 214 HE2 -0.95 -0.06 0.01 -0.04 7.38 6.34 1ob3A1 PHE 214 HZ -0.26 -0.05 0.01 -0.04 7.32 6.97 1ob3A1 ARG 215 H -0.30 0.58 -0.29 -0.55 8.46 7.90 1ob3A1 ARG 215 HA -0.85 -0.04 0.35 -0.75 4.34 3.05 1ob3A1 ARG 215 HB2 -0.58 0.14 0.10 -0.04 1.90 1.52 1ob3A1 ARG 215 HB3 -0.31 0.09 -0.01 -0.04 1.80 1.53 1ob3A1 ARG 215 HG2 -0.33 0.01 0.04 -0.04 1.67 1.36 1ob3A1 ARG 215 HG3 -0.79 -0.07 0.02 -0.04 1.67 0.79 1ob3A1 ARG 215 HD2 -0.15 -0.07 -0.02 -0.04 3.22 2.94 1ob3A1 ARG 215 HD3 -0.22 -0.01 -0.04 -0.04 3.22 2.91 1ob3A1 ILE 216 H -0.17 0.34 -0.46 -0.55 8.25 7.41 1ob3A1 ILE 216 HA -0.34 0.09 0.79 -0.75 4.18 3.97 1ob3A1 ILE 216 HB 0.01 0.12 0.17 -0.04 1.89 2.15 1ob3A1 ILE 216 HG12 -0.10 0.17 0.02 -0.04 1.49 1.54 1ob3A1 ILE 216 HG13 -0.26 0.01 0.02 -0.04 1.21 0.93 1ob3A1 ILE 216 HG23 -1.12 -0.03 -0.11 -0.04 0.93 -0.36 1ob3A1 ILE 216 HD13 -0.37 -0.01 -0.09 -0.04 0.88 0.37 1ob3A1 LEU 217 H -0.07 0.59 0.13 -0.55 8.37 8.47 1ob3A1 LEU 217 HA -0.19 0.11 0.69 -0.75 4.35 4.20 1ob3A1 LEU 217 HB2 0.11 0.07 -0.00 -0.04 1.64 1.77 1ob3A1 LEU 217 HB3 0.10 -0.06 0.13 -0.04 1.64 1.77 1ob3A1 LEU 217 HG 0.05 -0.01 -0.02 -0.04 1.64 1.62 1ob3A1 LEU 217 HD13 0.33 0.02 0.01 -0.04 0.93 1.25 1ob3A1 LEU 217 HD23 -0.15 0.01 -0.09 -0.04 0.89 0.62 1ob3A1 GLY 218 H -0.00 0.41 -0.28 -0.55 8.43 8.02 1ob3A1 GLY 218 HA2 0.06 0.08 -0.06 -0.51 4.01 3.58 1ob3A1 GLY 218 HA3 0.02 0.07 0.55 -0.51 4.01 4.14 1ob3A1 THR 219 H 0.03 0.41 0.23 -0.55 8.28 8.40 1ob3A1 THR 219 HA -0.74 0.07 0.64 -0.75 4.39 3.61 1ob3A1 THR 219 HB -0.04 -0.07 0.23 -0.04 4.32 4.39 1ob3A1 THR 219 HG23 -0.16 0.06 -0.09 -0.04 1.22 0.99 1ob3A1 PRO 220 HA 0.07 0.02 0.46 -0.51 4.44 4.48 1ob3A1 PRO 220 HB2 0.01 -0.04 -0.13 -0.04 2.28 2.08 1ob3A1 PRO 220 HB3 0.47 -0.00 0.04 -0.04 2.02 2.48 1ob3A1 PRO 220 HG2 -0.21 -0.01 0.04 -0.04 2.03 1.81 1ob3A1 PRO 220 HG3 0.09 0.04 0.05 -0.04 2.03 2.17 1ob3A1 PRO 220 HD2 -1.45 0.06 0.22 -0.04 3.68 2.48 1ob3A1 PRO 220 HD3 -1.40 0.28 0.25 -0.04 3.65 2.74 1ob3A1 ASN 221 H 0.09 0.14 0.21 -0.55 8.53 8.43 1ob3A1 ASN 221 HA 0.02 0.19 0.28 -0.75 4.76 4.50 1ob3A1 ASN 221 HB2 0.02 -0.10 0.18 -0.04 2.88 2.94 1ob3A1 ASN 221 HB3 0.03 0.29 0.00 -0.04 2.79 3.07 1ob3A1 ASN 221 HD21 0.03 0.01 -0.04 -0.04 7.03 6.99 1ob3A1 ASN 221 HD22 0.02 0.15 -0.10 -0.04 7.74 7.76 1ob3A1 SER 222 H -0.02 0.24 0.11 -0.55 8.46 8.24 1ob3A1 SER 222 HA -0.06 0.14 0.19 -0.75 4.49 4.01 1ob3A1 SER 222 HB2 -0.02 0.05 0.08 -0.04 3.95 4.01 1ob3A1 SER 222 HB3 -0.04 0.01 0.09 -0.04 3.93 3.96 1ob3A1 LYS 223 H 0.03 0.00 -0.46 -0.55 8.42 7.44 1ob3A1 LYS 223 HA 0.04 0.21 0.73 -0.75 4.32 4.54 1ob3A1 LYS 223 HB2 0.03 -0.02 0.02 -0.04 1.87 1.87 1ob3A1 LYS 223 HB3 0.04 0.07 -0.01 -0.04 1.79 1.84 1ob3A1 LYS 223 HG2 0.02 -0.12 -0.10 -0.04 1.46 1.21 1ob3A1 LYS 223 HG3 0.02 0.05 -0.02 -0.04 1.46 1.46 1ob3A1 LYS 223 HD2 0.02 0.03 -0.00 -0.04 1.69 1.71 1ob3A1 LYS 223 HD3 0.02 0.03 -0.09 -0.04 1.68 1.61 1ob3A1 LYS 223 HE2 0.01 0.01 -0.03 -0.04 2.99 2.95 1ob3A1 LYS 223 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 1ob3A1 ASN 224 H 0.08 0.02 -0.05 -0.55 8.53 8.04 1ob3A1 ASN 224 HA 0.09 0.21 0.84 -0.75 4.76 5.14 1ob3A1 ASN 224 HB2 0.09 0.04 0.13 -0.04 2.88 3.11 1ob3A1 ASN 224 HB3 0.07 -0.00 0.05 -0.04 2.79 2.87 1ob3A1 ASN 224 HD21 0.05 0.24 -0.01 -0.04 7.03 7.27 1ob3A1 ASN 224 HD22 0.06 0.03 -0.00 -0.04 7.74 7.79 1ob3A1 TRP 225 H 0.20 0.35 -0.18 -0.55 7.97 7.78 1ob3A1 TRP 225 HA 0.01 0.15 0.54 -0.75 4.62 4.55 1ob3A1 TRP 225 HB2 0.00 0.05 -0.16 -0.04 3.23 3.08 1ob3A1 TRP 225 HB3 -0.03 -0.05 0.07 -0.04 3.23 3.19 1ob3A1 TRP 225 HD1 -0.01 0.23 -0.29 -0.04 7.22 7.11 1ob3A1 TRP 225 HE1 -0.01 -0.01 -0.07 -0.04 10.20 10.07 1ob3A1 TRP 225 HE3 -0.02 -0.00 -0.08 -0.04 7.59 7.44 1ob3A1 TRP 225 HZ2 -0.01 -0.07 0.03 -0.04 7.44 7.34 1ob3A1 TRP 225 HZ3 0.02 0.01 -0.05 -0.04 7.13 7.07 1ob3A1 TRP 225 HH2 -0.04 -0.17 -0.09 -0.04 7.19 6.85 1ob3A1 PRO 226 HA 0.03 0.10 0.48 -0.51 4.44 4.54 1ob3A1 PRO 226 HB2 0.10 -0.01 -0.01 -0.04 2.28 2.32 1ob3A1 PRO 226 HB3 0.05 0.02 0.10 -0.04 2.02 2.15 1ob3A1 PRO 226 HG2 0.09 0.02 0.00 -0.04 2.03 2.10 1ob3A1 PRO 226 HG3 0.08 0.15 0.03 -0.04 2.03 2.24 1ob3A1 PRO 226 HD2 0.20 0.07 -0.01 -0.04 3.68 3.89 1ob3A1 PRO 226 HD3 0.15 0.17 -0.47 -0.04 3.65 3.47 1ob3A1 ASN 227 H -0.07 0.12 0.21 -0.55 8.53 8.24 1ob3A1 ASN 227 HA -0.12 -0.03 0.36 -0.75 4.76 4.22 1ob3A1 ASN 227 HB2 0.05 0.28 -0.08 -0.04 2.88 3.09 1ob3A1 ASN 227 HB3 -0.03 -0.03 0.11 -0.04 2.79 2.81 1ob3A1 ASN 227 HD21 0.03 0.01 -0.11 -0.04 7.03 6.93 1ob3A1 ASN 227 HD22 0.07 0.10 -0.25 -0.04 7.74 7.62 1ob3A1 VAL 228 H -0.41 0.54 -0.45 -0.55 8.24 7.37 1ob3A1 VAL 228 HA -1.06 0.06 0.45 -0.75 4.13 2.83 1ob3A1 VAL 228 HB -1.50 0.13 0.02 -0.04 2.12 0.73 1ob3A1 VAL 228 HG13 -0.58 -0.02 -0.27 -0.04 0.97 0.06 1ob3A1 VAL 228 HG23 -1.35 -0.01 -0.05 -0.04 0.95 -0.50 1ob3A1 THR 229 H -0.48 -0.01 -0.33 -0.55 8.28 6.91 1ob3A1 THR 229 HA -0.97 0.13 0.29 -0.75 4.39 3.08 1ob3A1 THR 229 HB -0.21 0.07 0.05 -0.04 4.32 4.19 1ob3A1 THR 229 HG23 -0.48 -0.01 -0.04 -0.04 1.22 0.65 1ob3A1 GLU 230 H -0.23 0.33 -0.49 -0.55 8.60 7.67 1ob3A1 GLU 230 HA -0.08 0.12 0.63 -0.75 4.29 4.21 1ob3A1 GLU 230 HB2 -0.07 0.10 0.00 -0.04 2.09 2.08 1ob3A1 GLU 230 HB3 -0.04 -0.04 0.08 -0.04 1.99 1.95 1ob3A1 GLU 230 HG2 -0.06 -0.00 -0.02 -0.04 2.34 2.22 1ob3A1 GLU 230 HG3 -0.11 -0.13 -0.00 -0.04 2.34 2.06 1ob3A1 LEU 231 H -0.18 0.33 -0.23 -0.55 8.37 7.75 1ob3A1 LEU 231 HA -0.02 0.05 0.49 -0.75 4.35 4.12 1ob3A1 LEU 231 HB2 -0.06 0.04 0.14 -0.04 1.64 1.72 1ob3A1 LEU 231 HB3 0.01 0.12 0.01 -0.04 1.64 1.74 1ob3A1 LEU 231 HG -0.17 0.01 0.06 -0.04 1.64 1.50 1ob3A1 LEU 231 HD13 -0.22 -0.01 0.03 -0.04 0.93 0.69 1ob3A1 LEU 231 HD23 0.04 -0.01 -0.03 -0.04 0.89 0.86 1ob3A1 PRO 232 HA 0.01 0.06 0.38 -0.51 4.44 4.38 1ob3A1 PRO 232 HB2 0.01 0.03 -0.00 -0.04 2.28 2.28 1ob3A1 PRO 232 HB3 0.01 -0.03 0.12 -0.04 2.02 2.08 1ob3A1 PRO 232 HG2 0.02 0.09 0.11 -0.04 2.03 2.21 1ob3A1 PRO 232 HG3 0.01 -0.01 0.12 -0.04 2.03 2.10 1ob3A1 PRO 232 HD2 0.02 0.09 0.15 -0.04 3.68 3.90 1ob3A1 PRO 232 HD3 0.01 0.13 0.25 -0.04 3.65 3.99 1ob3A1 LYS 233 H 0.04 0.67 -0.08 -0.55 8.42 8.49 1ob3A1 LYS 233 HA -0.00 0.20 0.89 -0.75 4.32 4.65 1ob3A1 LYS 233 HB2 0.05 -0.07 0.04 -0.04 1.87 1.86 1ob3A1 LYS 233 HB3 0.03 -0.07 0.13 -0.04 1.79 1.84 1ob3A1 LYS 233 HG2 0.01 0.04 -0.21 -0.04 1.46 1.26 1ob3A1 LYS 233 HG3 0.02 0.01 -0.28 -0.04 1.46 1.16 1ob3A1 LYS 233 HD2 0.03 0.04 0.00 -0.04 1.69 1.71 1ob3A1 LYS 233 HD3 0.01 -0.05 -0.03 -0.04 1.68 1.57 1ob3A1 LYS 233 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.88 1ob3A1 LYS 233 HE3 0.02 0.00 -0.13 -0.04 2.99 2.84 1ob3A1 TYR 234 H 0.10 0.40 -0.35 -0.55 8.29 7.90 1ob3A1 TYR 234 HA 0.05 -0.02 0.53 -0.75 4.56 4.36 1ob3A1 TYR 234 HB2 -0.12 0.03 0.08 -0.04 3.06 3.01 1ob3A1 TYR 234 HB3 -0.11 0.20 0.02 -0.04 2.98 3.04 1ob3A1 TYR 234 HD2 -0.05 0.05 -0.16 -0.04 7.15 6.95 1ob3A1 TYR 234 HE2 -0.04 0.02 -0.16 -0.04 6.85 6.63 1ob3A1 ASP 235 H -1.58 0.16 0.07 -0.55 8.40 6.50 1ob3A1 ASP 235 HA -0.58 0.23 0.82 -0.75 4.63 4.34 1ob3A1 ASP 235 HB2 -0.70 0.17 -0.15 -0.04 2.71 1.99 1ob3A1 ASP 235 HB3 -2.24 -0.05 0.14 -0.04 2.70 0.51 1ob3A1 PRO 236 HA -0.22 0.09 0.37 -0.51 4.44 4.17 1ob3A1 PRO 236 HB2 -0.06 0.03 -0.01 -0.04 2.28 2.21 1ob3A1 PRO 236 HB3 0.05 0.01 0.08 -0.04 2.02 2.11 1ob3A1 PRO 236 HG2 -0.12 0.02 0.04 -0.04 2.03 1.93 1ob3A1 PRO 236 HG3 -0.05 0.06 0.05 -0.04 2.03 2.05 1ob3A1 PRO 236 HD2 -0.28 0.10 0.20 -0.04 3.68 3.66 1ob3A1 PRO 236 HD3 -0.21 0.26 0.06 -0.04 3.65 3.71 1ob3A1 ASN 237 H -0.31 0.04 -0.37 -0.55 8.53 7.34 1ob3A1 ASN 237 HA -0.09 0.23 0.77 -0.75 4.76 4.92 1ob3A1 ASN 237 HB2 -0.14 -0.02 -0.02 -0.04 2.88 2.66 1ob3A1 ASN 237 HB3 -0.08 0.00 0.08 -0.04 2.79 2.76 1ob3A1 ASN 237 HD21 -0.08 0.01 -0.03 -0.04 7.03 6.88 1ob3A1 ASN 237 HD22 -0.12 0.01 -0.02 -0.04 7.74 7.57 1ob3A1 PHE 238 H -0.41 0.41 -0.27 -0.55 8.34 7.51 1ob3A1 PHE 238 HA -0.02 -0.10 0.37 -0.75 4.62 4.12 1ob3A1 PHE 238 HB2 -0.09 0.03 0.02 -0.04 3.15 3.07 1ob3A1 PHE 238 HB3 0.06 0.14 -0.07 -0.04 3.06 3.15 1ob3A1 PHE 238 HD2 -0.06 -0.01 0.05 -0.04 7.28 7.22 1ob3A1 PHE 238 HE2 -0.00 -0.04 0.03 -0.04 7.38 7.33 1ob3A1 PHE 238 HZ 0.03 0.09 0.03 -0.04 7.32 7.43 1ob3A1 THR 239 H 0.14 -0.00 0.17 -0.55 8.28 8.04 1ob3A1 THR 239 HA -0.08 0.04 0.59 -0.75 4.39 4.18 1ob3A1 THR 239 HB -0.06 -0.04 0.04 -0.04 4.32 4.22 1ob3A1 THR 239 HG23 -0.58 0.01 -0.15 -0.04 1.22 0.46 1ob3A1 VAL 240 H -0.18 0.10 0.15 -0.55 8.24 7.76 1ob3A1 VAL 240 HA -0.07 0.13 0.66 -0.75 4.13 4.09 1ob3A1 VAL 240 HB -0.08 -0.06 0.14 -0.04 2.12 2.08 1ob3A1 VAL 240 HG13 -0.02 -0.01 -0.13 -0.04 0.97 0.77 1ob3A1 VAL 240 HG23 -0.02 0.03 -0.03 -0.04 0.95 0.89 1ob3A1 TYR 241 H 0.06 0.19 0.22 -0.55 8.29 8.20 1ob3A1 TYR 241 HA -0.00 0.11 0.84 -0.75 4.56 4.75 1ob3A1 TYR 241 HB2 0.01 -0.02 -0.11 -0.04 3.06 2.90 1ob3A1 TYR 241 HB3 -0.01 0.24 -0.02 -0.04 2.98 3.15 1ob3A1 TYR 241 HD2 0.04 0.02 -0.14 -0.04 7.15 7.04 1ob3A1 TYR 241 HE2 0.02 -0.04 -0.07 -0.04 6.85 6.71 1ob3A1 GLU 242 H 0.10 0.12 0.12 -0.55 8.60 8.39 1ob3A1 GLU 242 HA 0.04 0.13 0.79 -0.75 4.29 4.49 1ob3A1 GLU 242 HB2 0.03 -0.03 0.06 -0.04 2.09 2.11 1ob3A1 GLU 242 HB3 0.02 0.11 0.06 -0.04 1.99 2.14 1ob3A1 GLU 242 HG2 0.02 -0.06 -0.10 -0.04 2.34 2.16 1ob3A1 GLU 242 HG3 0.02 -0.03 -0.01 -0.04 2.34 2.28 1ob3A1 PRO 243 HA -0.08 0.14 0.19 -0.51 4.44 4.18 1ob3A1 PRO 243 HB2 -0.08 0.03 -0.11 -0.04 2.28 2.08 1ob3A1 PRO 243 HB3 -0.05 0.20 -0.07 -0.04 2.02 2.06 1ob3A1 PRO 243 HG2 0.01 -0.05 0.04 -0.04 2.03 1.99 1ob3A1 PRO 243 HG3 0.02 0.04 0.04 -0.04 2.03 2.10 1ob3A1 PRO 243 HD2 0.02 0.01 0.18 -0.04 3.68 3.85 1ob3A1 PRO 243 HD3 0.02 0.13 0.18 -0.04 3.65 3.94 1ob3A1 LEU 244 H -0.17 0.69 0.26 -0.55 8.37 8.61 1ob3A1 LEU 244 HA -0.03 0.06 0.70 -0.75 4.35 4.32 1ob3A1 LEU 244 HB2 -0.11 0.02 0.09 -0.04 1.64 1.61 1ob3A1 LEU 244 HB3 0.05 -0.05 0.09 -0.04 1.64 1.69 1ob3A1 LEU 244 HG -0.14 0.22 0.20 -0.04 1.64 1.87 1ob3A1 LEU 244 HD13 -0.12 -0.03 0.03 -0.04 0.93 0.77 1ob3A1 LEU 244 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.73 1ob3A1 PRO 245 HA -0.02 0.07 0.50 -0.51 4.44 4.47 1ob3A1 PRO 245 HB2 0.01 -0.12 -0.00 -0.04 2.28 2.13 1ob3A1 PRO 245 HB3 0.03 0.03 0.09 -0.04 2.02 2.13 1ob3A1 PRO 245 HG2 0.01 0.03 0.09 -0.04 2.03 2.12 1ob3A1 PRO 245 HG3 0.01 0.07 0.08 -0.04 2.03 2.16 1ob3A1 PRO 245 HD2 0.03 0.09 0.20 -0.04 3.68 3.97 1ob3A1 PRO 245 HD3 0.00 0.20 0.24 -0.04 3.65 4.05 1ob3A1 TRP 246 H 0.12 0.14 0.17 -0.55 7.97 7.85 1ob3A1 TRP 246 HA -0.58 0.18 0.26 -0.75 4.62 3.72 1ob3A1 TRP 246 HB2 -0.15 -0.09 0.11 -0.04 3.23 3.06 1ob3A1 TRP 246 HB3 -0.29 0.01 -0.02 -0.04 3.23 2.88 1ob3A1 TRP 246 HD1 -0.01 -0.07 0.07 -0.04 7.22 7.17 1ob3A1 TRP 246 HE1 0.04 0.01 0.01 -0.04 10.20 10.22 1ob3A1 TRP 246 HE3 -0.21 -0.04 -0.04 -0.04 7.59 7.26 1ob3A1 TRP 246 HZ2 0.07 0.05 0.01 -0.04 7.44 7.52 1ob3A1 TRP 246 HZ3 0.11 0.00 -0.12 -0.04 7.13 7.08 1ob3A1 TRP 246 HH2 0.07 0.08 -0.05 -0.04 7.19 7.25 1ob3A1 GLU 247 H 0.03 0.05 -0.15 -0.55 8.60 7.97 1ob3A1 GLU 247 HA -0.13 0.11 0.34 -0.75 4.29 3.86 1ob3A1 GLU 247 HB2 -0.02 0.00 -0.01 -0.04 2.09 2.02 1ob3A1 GLU 247 HB3 -0.04 0.05 0.09 -0.04 1.99 2.05 1ob3A1 GLU 247 HG2 -0.02 0.00 0.01 -0.04 2.34 2.30 1ob3A1 GLU 247 HG3 -0.03 0.02 -0.01 -0.04 2.34 2.28 1ob3A1 SER 248 H -0.10 0.33 -0.51 -0.55 8.46 7.63 1ob3A1 SER 248 HA -0.02 0.07 0.58 -0.75 4.49 4.36 1ob3A1 SER 248 HB2 0.04 -0.03 0.09 -0.04 3.95 4.00 1ob3A1 SER 248 HB3 0.01 -0.13 0.07 -0.04 3.93 3.84 1ob3A1 PHE 249 H -0.49 0.30 -0.12 -0.55 8.34 7.47 1ob3A1 PHE 249 HA -0.07 0.19 0.80 -0.75 4.62 4.79 1ob3A1 PHE 249 HB2 -0.11 0.00 0.14 -0.04 3.15 3.14 1ob3A1 PHE 249 HB3 -0.10 -0.00 -0.07 -0.04 3.06 2.85 1ob3A1 PHE 249 HD2 -0.14 -0.03 -0.12 -0.04 7.28 6.95 1ob3A1 PHE 249 HE2 -0.26 0.01 -0.27 -0.04 7.38 6.81 1ob3A1 PHE 249 HZ -1.10 -0.03 -0.10 -0.04 7.32 6.04 1ob3A1 LEU 250 H -0.32 0.19 -0.07 -0.55 8.37 7.62 1ob3A1 LEU 250 HA -0.14 0.19 0.84 -0.75 4.35 4.49 1ob3A1 LEU 250 HB2 -0.27 -0.02 0.00 -0.04 1.64 1.31 1ob3A1 LEU 250 HB3 -0.21 -0.04 -0.07 -0.04 1.64 1.28 1ob3A1 LEU 250 HG -0.45 0.04 -0.33 -0.04 1.64 0.86 1ob3A1 LEU 250 HD13 -0.09 -0.02 -0.08 -0.04 0.93 0.69 1ob3A1 LEU 250 HD23 -0.18 0.01 0.01 -0.04 0.89 0.68 1ob3A1 LYS 251 H -0.10 0.30 0.08 -0.55 8.42 8.14 1ob3A1 LYS 251 HA -0.06 0.11 0.86 -0.75 4.32 4.47 1ob3A1 LYS 251 HB2 -0.04 0.01 -0.01 -0.04 1.87 1.79 1ob3A1 LYS 251 HB3 -0.05 0.05 0.00 -0.04 1.79 1.75 1ob3A1 LYS 251 HG2 -0.04 0.19 -0.21 -0.04 1.46 1.37 1ob3A1 LYS 251 HG3 -0.03 -0.15 -0.03 -0.04 1.46 1.20 1ob3A1 LYS 251 HD2 -0.02 -0.09 0.01 -0.04 1.69 1.55 1ob3A1 LYS 251 HD3 -0.03 -0.05 0.02 -0.04 1.68 1.58 1ob3A1 LYS 251 HE2 -0.02 0.27 0.20 -0.04 2.99 3.39 1ob3A1 LYS 251 HE3 -0.01 0.03 0.11 -0.04 2.99 3.07 1ob3A1 GLY 252 H -0.04 0.13 0.12 -0.55 8.43 8.09 1ob3A1 GLY 252 HA2 -0.03 -0.04 0.31 -0.51 4.01 3.74 1ob3A1 GLY 252 HA3 -0.03 0.19 0.23 -0.51 4.01 3.89 1ob3A1 LEU 253 H -0.07 0.17 -0.39 -0.55 8.37 7.53 1ob3A1 LEU 253 HA -0.02 0.11 0.96 -0.75 4.35 4.65 1ob3A1 LEU 253 HB2 -0.18 0.14 -0.18 -0.04 1.64 1.37 1ob3A1 LEU 253 HB3 -0.17 -0.03 -0.08 -0.04 1.64 1.33 1ob3A1 LEU 253 HG -0.22 -0.21 -0.16 -0.04 1.64 1.01 1ob3A1 LEU 253 HD13 -0.05 0.02 0.00 -0.04 0.93 0.86 1ob3A1 LEU 253 HD23 -0.64 0.03 -0.22 -0.04 0.89 0.01 1ob3A1 ASP 254 H 0.02 0.16 0.08 -0.55 8.40 8.11 1ob3A1 ASP 254 HA -0.02 0.18 0.57 -0.75 4.63 4.61 1ob3A1 ASP 254 HB2 0.01 -0.06 0.17 -0.04 2.71 2.80 1ob3A1 ASP 254 HB3 0.01 0.12 0.12 -0.04 2.70 2.91 1ob3A1 GLU 255 H -0.01 0.19 0.14 -0.55 8.60 8.38 1ob3A1 GLU 255 HA -0.06 0.14 0.34 -0.75 4.29 3.95 1ob3A1 GLU 255 HB2 -0.02 0.05 0.15 -0.04 2.09 2.23 1ob3A1 GLU 255 HB3 -0.01 -0.00 0.08 -0.04 1.99 2.02 1ob3A1 GLU 255 HG2 -0.02 0.05 -0.01 -0.04 2.34 2.32 1ob3A1 GLU 255 HG3 -0.03 -0.03 -0.04 -0.04 2.34 2.20 1ob3A1 SER 256 H 0.04 0.12 -0.11 -0.55 8.46 7.95 1ob3A1 SER 256 HA 0.11 0.11 0.44 -0.75 4.49 4.40 1ob3A1 SER 256 HB2 0.13 0.01 0.02 -0.04 3.95 4.07 1ob3A1 SER 256 HB3 0.26 -0.02 -0.13 -0.04 3.93 4.00 1ob3A1 GLY 257 H 0.03 0.09 -0.39 -0.55 8.43 7.61 1ob3A1 GLY 257 HA2 -0.69 0.06 0.32 -0.51 4.01 3.18 1ob3A1 GLY 257 HA3 -0.22 0.08 0.22 -0.51 4.01 3.58 1ob3A1 ILE 258 H -0.18 0.48 -0.17 -0.55 8.25 7.83 1ob3A1 ILE 258 HA -0.39 0.08 0.40 -0.75 4.18 3.52 1ob3A1 ILE 258 HB -0.18 0.02 0.05 -0.04 1.89 1.74 1ob3A1 ILE 258 HG12 -0.19 0.02 -0.11 -0.04 1.49 1.17 1ob3A1 ILE 258 HG13 -0.19 -0.01 -0.14 -0.04 1.21 0.83 1ob3A1 ILE 258 HG23 -0.34 -0.01 -0.16 -0.04 0.93 0.39 1ob3A1 ILE 258 HD13 -0.09 -0.02 -0.15 -0.04 0.88 0.58 1ob3A1 ASP 259 H -0.18 0.51 -0.20 -0.55 8.40 7.99 1ob3A1 ASP 259 HA -0.28 0.04 0.39 -0.75 4.63 4.02 1ob3A1 ASP 259 HB2 -0.05 0.04 0.13 -0.04 2.71 2.79 1ob3A1 ASP 259 HB3 0.08 0.05 0.17 -0.04 2.70 2.96 1ob3A1 LEU 260 H -0.35 0.54 -0.14 -0.55 8.37 7.86 1ob3A1 LEU 260 HA -0.50 0.00 0.35 -0.75 4.35 3.45 1ob3A1 LEU 260 HB2 -1.23 -0.09 0.11 -0.04 1.64 0.39 1ob3A1 LEU 260 HB3 -0.49 0.11 0.13 -0.04 1.64 1.35 1ob3A1 LEU 260 HG -0.19 0.03 -0.29 -0.04 1.64 1.14 1ob3A1 LEU 260 HD13 -0.18 -0.02 0.04 -0.04 0.93 0.73 1ob3A1 LEU 260 HD23 -0.37 -0.01 -0.06 -0.04 0.89 0.41 1ob3A1 LEU 261 H -0.30 0.57 -0.16 -0.55 8.37 7.93 1ob3A1 LEU 261 HA -0.06 -0.03 0.38 -0.75 4.35 3.90 1ob3A1 LEU 261 HB2 -0.52 -0.01 0.08 -0.04 1.64 1.14 1ob3A1 LEU 261 HB3 -0.46 0.08 0.15 -0.04 1.64 1.37 1ob3A1 LEU 261 HG -0.14 0.01 -0.22 -0.04 1.64 1.26 1ob3A1 LEU 261 HD13 -0.15 -0.03 0.06 -0.04 0.93 0.77 1ob3A1 LEU 261 HD23 -0.22 0.00 -0.06 -0.04 0.89 0.57 1ob3A1 SER 262 H -0.64 0.61 -0.19 -0.55 8.46 7.69 1ob3A1 SER 262 HA -0.72 0.04 0.38 -0.75 4.49 3.43 1ob3A1 SER 262 HB2 -0.66 -0.04 0.06 -0.04 3.95 3.26 1ob3A1 SER 262 HB3 -1.56 0.03 0.10 -0.04 3.93 2.45 1ob3A1 LYS 263 H -0.20 0.41 -0.30 -0.55 8.42 7.78 1ob3A1 LYS 263 HA -0.02 0.10 0.58 -0.75 4.32 4.22 1ob3A1 LYS 263 HB2 -0.06 0.11 0.12 -0.04 1.87 2.01 1ob3A1 LYS 263 HB3 0.00 -0.10 0.11 -0.04 1.79 1.76 1ob3A1 LYS 263 HG2 -0.09 0.34 0.05 -0.04 1.46 1.73 1ob3A1 LYS 263 HG3 0.03 -0.11 -0.01 -0.04 1.46 1.33 1ob3A1 LYS 263 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 1ob3A1 LYS 263 HD3 -0.04 0.02 -0.13 -0.04 1.68 1.49 1ob3A1 LYS 263 HE2 0.02 -0.04 -0.05 -0.04 2.99 2.88 1ob3A1 LYS 263 HE3 0.03 -0.04 -0.02 -0.04 2.99 2.91 1ob3A1 MET 264 H -0.08 0.38 -0.13 -0.55 8.47 8.10 1ob3A1 MET 264 HA 0.03 0.03 0.69 -0.75 4.52 4.51 1ob3A1 MET 264 HB2 -0.04 0.08 0.13 -0.04 2.15 2.27 1ob3A1 MET 264 HB3 -0.01 0.06 0.05 -0.04 2.03 2.09 1ob3A1 MET 264 HG2 0.02 -0.06 -0.04 -0.04 2.63 2.50 1ob3A1 MET 264 HG3 -0.03 0.13 0.01 -0.04 2.56 2.63 1ob3A1 MET 264 HE3 -0.04 -0.02 -0.11 -0.04 2.10 1.89 1ob3A1 LEU 265 H -0.03 0.50 -0.08 -0.55 8.37 8.21 1ob3A1 LEU 265 HA -0.28 0.16 0.78 -0.75 4.35 4.24 1ob3A1 LEU 265 HB2 0.23 0.05 0.07 -0.04 1.64 1.95 1ob3A1 LEU 265 HB3 -0.04 -0.03 0.13 -0.04 1.64 1.66 1ob3A1 LEU 265 HG -0.18 -0.03 -0.07 -0.04 1.64 1.32 1ob3A1 LEU 265 HD13 0.06 -0.00 -0.12 -0.04 0.93 0.83 1ob3A1 LEU 265 HD23 -1.11 -0.00 -0.11 -0.04 0.89 -0.38 1ob3A1 LYS 266 H 0.12 0.15 -0.65 -0.55 8.42 7.49 1ob3A1 LYS 266 HA 0.17 0.07 0.65 -0.75 4.32 4.45 1ob3A1 LYS 266 HB2 0.05 -0.02 -0.12 -0.04 1.87 1.74 1ob3A1 LYS 266 HB3 0.00 -0.13 -0.08 -0.04 1.79 1.54 1ob3A1 LYS 266 HG2 0.07 0.20 0.07 -0.04 1.46 1.75 1ob3A1 LYS 266 HG3 0.04 0.12 -0.10 -0.04 1.46 1.48 1ob3A1 LYS 266 HD2 0.03 -0.07 -0.01 -0.04 1.69 1.60 1ob3A1 LYS 266 HD3 0.09 -0.00 0.04 -0.04 1.68 1.77 1ob3A1 LYS 266 HE2 0.04 0.06 -0.08 -0.04 2.99 2.98 1ob3A1 LYS 266 HE3 0.03 0.01 -0.00 -0.04 2.99 2.99 1ob3A1 LEU 267 H 0.06 0.17 0.12 -0.55 8.37 8.17 1ob3A1 LEU 267 HA -0.13 0.07 0.42 -0.75 4.35 3.95 1ob3A1 LEU 267 HB2 -0.16 -0.03 0.04 -0.04 1.64 1.46 1ob3A1 LEU 267 HB3 -0.19 -0.07 0.01 -0.04 1.64 1.35 1ob3A1 LEU 267 HG 0.15 0.05 0.09 -0.04 1.64 1.89 1ob3A1 LEU 267 HD13 0.13 0.03 -0.10 -0.04 0.93 0.94 1ob3A1 LEU 267 HD23 0.26 -0.00 -0.05 -0.04 0.89 1.06 1ob3A1 ASP 268 H -0.42 0.13 -0.11 -0.55 8.40 7.45 1ob3A1 ASP 268 HA -1.88 0.12 0.53 -0.75 4.63 2.64 1ob3A1 ASP 268 HB2 -0.51 0.13 0.17 -0.04 2.71 2.47 1ob3A1 ASP 268 HB3 -0.25 0.00 0.16 -0.04 2.70 2.57 1ob3A1 PRO 269 HA -0.07 0.16 0.24 -0.51 4.44 4.26 1ob3A1 PRO 269 HB2 0.01 0.01 -0.05 -0.04 2.28 2.21 1ob3A1 PRO 269 HB3 -0.02 -0.03 0.05 -0.04 2.02 1.98 1ob3A1 PRO 269 HG2 0.12 0.03 0.06 -0.04 2.03 2.20 1ob3A1 PRO 269 HG3 0.01 0.00 0.09 -0.04 2.03 2.09 1ob3A1 PRO 269 HD2 -0.12 0.07 0.19 -0.04 3.68 3.78 1ob3A1 PRO 269 HD3 -0.81 0.38 0.39 -0.04 3.65 3.58 1ob3A1 ASN 270 H -0.05 0.10 -0.29 -0.55 8.53 7.74 1ob3A1 ASN 270 HA 0.02 0.07 0.40 -0.75 4.76 4.50 1ob3A1 ASN 270 HB2 0.03 0.01 -0.02 -0.04 2.88 2.85 1ob3A1 ASN 270 HB3 0.03 0.03 0.02 -0.04 2.79 2.83 1ob3A1 ASN 270 HD21 0.08 -0.00 -0.03 -0.04 7.03 7.04 1ob3A1 ASN 270 HD22 0.08 0.03 -0.03 -0.04 7.74 7.78 1ob3A1 GLN 271 H -0.06 0.36 -0.37 -0.55 8.47 7.85 1ob3A1 GLN 271 HA 0.01 0.19 0.93 -0.75 4.36 4.73 1ob3A1 GLN 271 HB2 -0.03 0.05 0.03 -0.04 2.15 2.16 1ob3A1 GLN 271 HB3 0.01 -0.02 0.10 -0.04 2.02 2.06 1ob3A1 GLN 271 HG2 -0.01 -0.12 -0.17 -0.04 2.40 2.06 1ob3A1 GLN 271 HG3 0.01 0.02 -0.02 -0.04 2.39 2.36 1ob3A1 GLN 271 HE21 0.03 -0.02 -0.06 -0.04 6.97 6.88 1ob3A1 GLN 271 HE22 0.03 -0.05 -0.12 -0.04 7.69 7.51 1ob3A1 ARG 272 H -0.01 0.13 -0.20 -0.55 8.46 7.82 1ob3A1 ARG 272 HA 0.04 0.17 0.56 -0.75 4.34 4.37 1ob3A1 ARG 272 HB2 0.05 0.01 0.05 -0.04 1.90 1.96 1ob3A1 ARG 272 HB3 0.05 -0.05 0.10 -0.04 1.80 1.87 1ob3A1 ARG 272 HG2 0.10 0.03 0.01 -0.04 1.67 1.77 1ob3A1 ARG 272 HG3 0.11 0.11 0.16 -0.04 1.67 2.01 1ob3A1 ARG 272 HD2 0.17 -0.13 0.09 -0.04 3.22 3.31 1ob3A1 ARG 272 HD3 0.25 0.01 -0.02 -0.04 3.22 3.42 1ob3A1 ILE 273 H 0.04 0.48 0.20 -0.55 8.25 8.42 1ob3A1 ILE 273 HA 0.05 0.00 0.45 -0.75 4.18 3.92 1ob3A1 ILE 273 HB 0.03 0.05 0.06 -0.04 1.89 1.98 1ob3A1 ILE 273 HG12 0.06 0.10 -0.08 -0.04 1.49 1.54 1ob3A1 ILE 273 HG13 0.06 -0.05 0.02 -0.04 1.21 1.20 1ob3A1 ILE 273 HG23 0.03 0.01 -0.24 -0.04 0.93 0.69 1ob3A1 ILE 273 HD13 0.08 0.01 -0.17 -0.04 0.88 0.75 1ob3A1 THR 274 H 0.06 0.06 0.14 -0.55 8.28 7.99 1ob3A1 THR 274 HA 0.09 0.24 0.78 -0.75 4.39 4.74 1ob3A1 THR 274 HB 0.09 -0.05 0.15 -0.04 4.32 4.47 1ob3A1 THR 274 HG23 0.05 0.06 0.03 -0.04 1.22 1.32 1ob3A1 ALA 275 H 0.13 0.18 0.11 -0.55 8.40 8.27 1ob3A1 ALA 275 HA 0.04 0.13 0.40 -0.75 4.34 4.16 1ob3A1 ALA 275 HB3 0.00 0.05 0.07 -0.04 1.41 1.50 1ob3A1 LYS 276 H 0.05 0.09 -0.07 -0.55 8.42 7.94 1ob3A1 LYS 276 HA 0.01 0.13 0.38 -0.75 4.32 4.09 1ob3A1 LYS 276 HB2 0.04 -0.06 0.09 -0.04 1.87 1.90 1ob3A1 LYS 276 HB3 0.03 0.08 -0.08 -0.04 1.79 1.77 1ob3A1 LYS 276 HG2 0.01 0.05 0.01 -0.04 1.46 1.50 1ob3A1 LYS 276 HG3 0.02 -0.04 0.02 -0.04 1.46 1.42 1ob3A1 LYS 276 HD2 0.03 -0.01 0.01 -0.04 1.69 1.67 1ob3A1 LYS 276 HD3 0.02 0.02 -0.02 -0.04 1.68 1.66 1ob3A1 LYS 276 HE2 0.02 0.01 -0.02 -0.04 2.99 2.95 1ob3A1 LYS 276 HE3 0.01 0.03 -0.02 -0.04 2.99 2.97 1ob3A1 GLN 277 H 0.05 -0.01 -0.28 -0.55 8.47 7.69 1ob3A1 GLN 277 HA 0.06 0.09 0.51 -0.75 4.36 4.26 1ob3A1 GLN 277 HB2 0.06 -0.01 0.11 -0.04 2.15 2.27 1ob3A1 GLN 277 HB3 0.07 0.06 -0.01 -0.04 2.02 2.09 1ob3A1 GLN 277 HG2 0.04 0.06 0.02 -0.04 2.40 2.49 1ob3A1 GLN 277 HG3 0.05 -0.09 0.03 -0.04 2.39 2.34 1ob3A1 GLN 277 HE21 0.04 0.09 0.00 -0.04 6.97 7.06 1ob3A1 GLN 277 HE22 0.04 -0.00 0.00 -0.04 7.69 7.68 1ob3A1 ALA 278 H 0.07 0.56 -0.25 -0.55 8.40 8.23 1ob3A1 ALA 278 HA 0.14 -0.01 0.36 -0.75 4.34 4.08 1ob3A1 ALA 278 HB3 0.09 0.02 0.03 -0.04 1.41 1.51 1ob3A1 LEU 279 H 0.04 0.42 -0.26 -0.55 8.37 8.03 1ob3A1 LEU 279 HA -0.16 0.02 0.38 -0.75 4.35 3.83 1ob3A1 LEU 279 HB2 -0.02 0.12 0.11 -0.04 1.64 1.82 1ob3A1 LEU 279 HB3 -0.08 -0.02 0.01 -0.04 1.64 1.51 1ob3A1 LEU 279 HG -0.08 0.11 -0.04 -0.04 1.64 1.59 1ob3A1 LEU 279 HD13 -0.06 -0.03 -0.15 -0.04 0.93 0.65 1ob3A1 LEU 279 HD23 -0.32 -0.01 -0.00 -0.04 0.89 0.51 1ob3A1 GLU 280 H 0.09 0.31 -0.48 -0.55 8.60 7.98 1ob3A1 GLU 280 HA 0.07 0.09 0.58 -0.75 4.29 4.28 1ob3A1 GLU 280 HB2 0.07 0.11 0.05 -0.04 2.09 2.27 1ob3A1 GLU 280 HB3 0.04 -0.08 0.11 -0.04 1.99 2.02 1ob3A1 GLU 280 HG2 0.03 -0.03 -0.02 -0.04 2.34 2.28 1ob3A1 GLU 280 HG3 0.04 0.25 0.08 -0.04 2.34 2.67 1ob3A1 HIS 281 H 0.34 0.51 -0.36 -0.55 8.41 8.36 1ob3A1 HIS 281 HA 0.07 0.02 0.28 -0.75 4.63 4.25 1ob3A1 HIS 281 HB2 0.11 0.14 0.18 -0.04 3.26 3.65 1ob3A1 HIS 281 HB3 0.15 -0.02 0.08 -0.04 3.20 3.37 1ob3A1 HIS 281 HD2 0.00 0.08 -0.01 -0.04 6.97 7.00 1ob3A1 HIS 281 HE1 -0.04 0.04 0.14 -0.04 7.75 7.84 1ob3A1 ALA 282 H -0.53 0.15 0.17 -0.55 8.40 7.65 1ob3A1 ALA 282 HA -0.01 0.14 0.41 -0.75 4.34 4.13 1ob3A1 ALA 282 HB3 -0.13 0.01 0.09 -0.04 1.41 1.34 1ob3A1 TYR 283 H 0.68 0.10 -0.31 -0.55 8.29 8.21 1ob3A1 TYR 283 HA -0.06 -0.06 0.29 -0.75 4.56 3.98 1ob3A1 TYR 283 HB2 -0.09 -0.00 -0.17 -0.04 3.06 2.76 1ob3A1 TYR 283 HB3 -0.45 0.09 -0.08 -0.04 2.98 2.50 1ob3A1 TYR 283 HD2 -0.95 -0.06 -0.14 -0.04 7.15 5.95 1ob3A1 TYR 283 HE2 -0.27 -0.01 -0.02 -0.04 6.85 6.51 1ob3A1 PHE 284 H 0.13 0.46 -0.45 -0.55 8.34 7.92 1ob3A1 PHE 284 HA -0.20 0.12 0.61 -0.75 4.62 4.40 1ob3A1 PHE 284 HB2 0.03 0.23 0.02 -0.04 3.15 3.39 1ob3A1 PHE 284 HB3 -0.03 -0.02 0.08 -0.04 3.06 3.06 1ob3A1 PHE 284 HD2 0.00 0.09 -0.00 -0.04 7.28 7.33 1ob3A1 PHE 284 HE2 0.01 0.07 -0.08 -0.04 7.38 7.33 1ob3A1 PHE 284 HZ -0.07 -0.04 -0.21 -0.04 7.32 6.96 1ob3A1 LYS 285 H 0.05 0.33 -0.25 -0.55 8.42 8.00 1ob3A1 LYS 285 HA 0.03 0.16 0.72 -0.75 4.32 4.47 1ob3A1 LYS 285 HB2 0.01 0.00 0.09 -0.04 1.87 1.93 1ob3A1 LYS 285 HB3 0.01 -0.06 0.15 -0.04 1.79 1.86 1ob3A1 LYS 285 HG2 0.03 -0.02 -0.03 -0.04 1.46 1.40 1ob3A1 LYS 285 HG3 0.08 0.03 -0.20 -0.04 1.46 1.33 1ob3A1 LYS 285 HD2 0.01 -0.09 -0.04 -0.04 1.69 1.53 1ob3A1 LYS 285 HD3 0.01 -0.06 -0.02 -0.04 1.68 1.57 1ob3A1 LYS 285 HE2 0.08 0.11 -0.29 -0.04 2.99 2.85 1ob3A1 LYS 285 HE3 0.02 0.06 -0.10 -0.04 2.99 2.93 1ob3A1 GLU 286 H -0.08 0.25 -0.58 -0.55 8.60 7.64 1ob3A1 GLU 286 HA -0.04 0.18 0.58 -0.75 4.29 4.25 1ob3A1 GLU 286 HB2 -0.13 0.12 0.04 -0.04 2.09 2.07 1ob3A1 GLU 286 HB3 -0.06 -0.05 0.03 -0.04 1.99 1.87 1ob3A1 GLU 286 HG2 -0.03 -0.00 -0.09 -0.04 2.34 2.18 1ob3A1 GLU 286 HG3 -0.03 0.15 -0.19 -0.04 2.34 2.23