============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 27 1.000 51.365 60.722 10.285 -99.200 -91.000 PHE 40 1.000 40.327 51.146 25.210 -99.200 -91.000 PHE 51 1.000 57.665 61.522 13.282 -99.200 -91.000 HIS 61 0.900 72.049 64.433 0.897 -99.200 -91.000 TYR 98 0.840 62.938 70.140 -3.242 -99.200 -91.000 TYR 108 0.840 51.689 69.268 8.668 -99.200 -91.000 PHE 109 1.000 54.573 62.520 8.410 -99.200 -91.000 TYR 122 0.840 43.069 64.415 26.973 -99.200 -91.000 HIS 148 0.900 51.980 77.317 19.237 -99.200 -91.000 TRP 163 1.040 61.328 77.277 -5.501 -99.200 -91.000 TRP6 163 1.020 62.185 75.138 -4.966 -99.200 -91.000 TRP 200 1.040 29.929 59.880 19.772 -99.200 -91.000 TRP6 200 1.020 31.744 60.748 18.532 -99.200 -91.000 TYR 205 0.840 36.326 55.516 18.825 -99.200 -91.000 TRP 208 1.040 36.087 61.330 15.522 -99.200 -91.000 TRP6 208 1.020 37.758 60.195 16.739 -99.200 -91.000 PHE 212 1.000 41.191 62.752 14.477 -99.200 -91.000 TYR 230 0.840 65.343 65.643 0.684 -99.200 -91.000 HIS 232 0.900 63.365 64.369 -9.930 -99.200 -91.000 PHE 237 1.000 74.747 67.809 -4.783 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j9tA1 MET 35 HA -0.01 -0.13 0.22 -0.75 4.52 3.85 2j9tA1 MET 35 HB2 -0.03 0.05 0.06 -0.04 2.15 2.19 2j9tA1 MET 35 HB3 -0.02 -0.02 -0.14 -0.04 2.03 1.81 2j9tA1 MET 35 HG2 -0.01 -0.06 0.01 -0.04 2.63 2.53 2j9tA1 MET 35 HG3 -0.02 0.05 -0.00 -0.04 2.56 2.55 2j9tA1 MET 35 HE3 -0.02 -0.01 -0.18 -0.04 2.10 1.85 2j9tA1 THR 36 H -0.01 0.02 0.12 -0.55 8.28 7.87 2j9tA1 THR 36 HA -0.01 0.30 0.81 -0.75 4.39 4.75 2j9tA1 THR 36 HB -0.00 -0.01 0.19 -0.04 4.32 4.46 2j9tA1 THR 36 HG23 -0.00 0.06 -0.00 -0.04 1.22 1.23 2j9tA1 ASP 37 H 0.00 0.21 0.19 -0.55 8.40 8.25 2j9tA1 ASP 37 HA 0.01 0.16 0.46 -0.75 4.63 4.52 2j9tA1 ASP 37 HB2 0.00 -0.01 0.18 -0.04 2.71 2.85 2j9tA1 ASP 37 HB3 0.01 0.02 0.00 -0.04 2.70 2.69 2j9tA1 ASP 38 H 0.01 0.08 -0.11 -0.55 8.40 7.83 2j9tA1 ASP 38 HA 0.01 0.12 0.50 -0.75 4.63 4.50 2j9tA1 ASP 38 HB2 0.01 -0.01 0.06 -0.04 2.71 2.72 2j9tA1 ASP 38 HB3 0.01 0.07 0.00 -0.04 2.70 2.74 2j9tA1 ASP 39 H 0.01 0.02 -0.37 -0.55 8.40 7.51 2j9tA1 ASP 39 HA 0.01 0.08 0.40 -0.75 4.63 4.37 2j9tA1 ASP 39 HB2 0.00 0.17 0.18 -0.04 2.71 3.01 2j9tA1 ASP 39 HB3 0.00 0.12 -0.02 -0.04 2.70 2.76 2j9tA1 LEU 40 H 0.02 0.39 -0.25 -0.55 8.37 7.98 2j9tA1 LEU 40 HA 0.04 0.05 0.33 -0.75 4.35 4.01 2j9tA1 LEU 40 HB2 0.03 0.05 0.19 -0.04 1.64 1.86 2j9tA1 LEU 40 HB3 0.06 0.14 0.04 -0.04 1.64 1.84 2j9tA1 LEU 40 HG 0.11 -0.03 0.02 -0.04 1.64 1.70 2j9tA1 LEU 40 HD13 0.03 -0.01 -0.02 -0.04 0.93 0.90 2j9tA1 LEU 40 HD23 0.01 0.00 0.01 -0.04 0.89 0.87 2j9tA1 ARG 41 H 0.03 0.26 -0.21 -0.55 8.46 7.99 2j9tA1 ARG 41 HA 0.04 0.06 0.21 -0.75 4.34 3.90 2j9tA1 ARG 41 HB2 0.02 -0.00 0.18 -0.04 1.90 2.06 2j9tA1 ARG 41 HB3 0.02 0.00 -0.09 -0.04 1.80 1.69 2j9tA1 ARG 41 HG2 0.03 -0.05 -0.05 -0.04 1.67 1.56 2j9tA1 ARG 41 HG3 0.04 0.08 0.04 -0.04 1.67 1.78 2j9tA1 ARG 41 HD2 0.02 0.01 -0.02 -0.04 3.22 3.19 2j9tA1 ARG 41 HD3 0.02 -0.07 -0.01 -0.04 3.22 3.11 2j9tA1 ALA 42 H 0.02 0.63 -0.11 -0.55 8.40 8.39 2j9tA1 ALA 42 HA 0.02 0.00 0.43 -0.75 4.34 4.03 2j9tA1 ALA 42 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 2j9tA1 ALA 43 H 0.02 0.36 -0.47 -0.55 8.40 7.77 2j9tA1 ALA 43 HA 0.02 0.05 0.46 -0.75 4.34 4.12 2j9tA1 ALA 43 HB3 0.03 0.02 0.12 -0.04 1.41 1.53 2j9tA1 GLY 44 H 0.03 0.47 -0.71 -0.55 8.43 7.67 2j9tA1 GLY 44 HA2 0.03 0.00 0.26 -0.51 4.01 3.79 2j9tA1 GLY 44 HA3 0.02 0.10 0.60 -0.51 4.01 4.21 2j9tA1 VAL 45 H 0.05 0.51 -0.14 -0.55 8.24 8.11 2j9tA1 VAL 45 HA 0.04 0.11 0.82 -0.75 4.13 4.35 2j9tA1 VAL 45 HB 0.11 0.05 0.04 -0.04 2.12 2.28 2j9tA1 VAL 45 HG13 0.06 -0.04 -0.17 -0.04 0.97 0.78 2j9tA1 VAL 45 HG23 0.01 0.01 -0.29 -0.04 0.95 0.64 2j9tA1 ASP 46 H 0.17 0.31 0.05 -0.55 8.40 8.38 2j9tA1 ASP 46 HA 0.08 0.16 0.89 -0.75 4.63 5.01 2j9tA1 ASP 46 HB2 0.05 0.11 -0.11 -0.04 2.71 2.72 2j9tA1 ASP 46 HB3 0.05 0.02 0.16 -0.04 2.70 2.88 2j9tA1 ARG 47 H 0.07 0.25 0.04 -0.55 8.46 8.28 2j9tA1 ARG 47 HA -0.57 0.12 0.39 -0.75 4.34 3.53 2j9tA1 ARG 47 HB2 -0.16 0.02 0.07 -0.04 1.90 1.79 2j9tA1 ARG 47 HB3 0.05 0.07 0.06 -0.04 1.80 1.94 2j9tA1 ARG 47 HG2 -0.02 -0.09 -0.05 -0.04 1.67 1.46 2j9tA1 ARG 47 HG3 -0.07 0.00 -0.26 -0.04 1.67 1.31 2j9tA1 ARG 47 HD2 0.02 0.07 -0.10 -0.04 3.22 3.17 2j9tA1 ARG 47 HD3 -0.01 -0.00 -0.05 -0.04 3.22 3.12 2j9tA1 ARG 48 H -0.03 0.09 -0.25 -0.55 8.46 7.72 2j9tA1 ARG 48 HA -0.04 0.08 0.37 -0.75 4.34 4.00 2j9tA1 ARG 48 HB2 -0.01 0.03 -0.04 -0.04 1.90 1.84 2j9tA1 ARG 48 HB3 -0.01 0.04 0.03 -0.04 1.80 1.82 2j9tA1 ARG 48 HG2 -0.01 0.05 0.01 -0.04 1.67 1.68 2j9tA1 ARG 48 HG3 -0.01 -0.08 0.03 -0.04 1.67 1.56 2j9tA1 ARG 48 HD2 0.01 -0.01 0.01 -0.04 3.22 3.19 2j9tA1 ARG 48 HD3 0.00 0.01 -0.02 -0.04 3.22 3.18 2j9tA1 VAL 49 H -0.05 0.28 -0.36 -0.55 8.24 7.57 2j9tA1 VAL 49 HA -0.02 0.04 0.41 -0.75 4.13 3.81 2j9tA1 VAL 49 HB -0.02 0.19 0.20 -0.04 2.12 2.45 2j9tA1 VAL 49 HG13 0.00 -0.01 -0.08 -0.04 0.97 0.85 2j9tA1 VAL 49 HG23 0.01 -0.02 0.03 -0.04 0.95 0.92 2j9tA1 PRO 50 HA -0.01 0.03 0.39 -0.51 4.44 4.35 2j9tA1 PRO 50 HB2 0.10 0.04 -0.09 -0.04 2.28 2.28 2j9tA1 PRO 50 HB3 0.01 0.09 -0.16 -0.04 2.02 1.91 2j9tA1 PRO 50 HG2 -0.26 0.15 0.11 -0.04 2.03 1.98 2j9tA1 PRO 50 HG3 -0.63 0.03 0.06 -0.04 2.03 1.46 2j9tA1 PRO 50 HD2 -0.18 0.02 -0.06 -0.04 3.68 3.41 2j9tA1 PRO 50 HD3 -0.11 0.16 0.18 -0.04 3.65 3.84 2j9tA1 GLU 51 H -0.05 0.43 -0.34 -0.55 8.60 8.09 2j9tA1 GLU 51 HA 0.06 0.03 0.40 -0.75 4.29 4.03 2j9tA1 GLU 51 HB2 -0.03 0.14 0.13 -0.04 2.09 2.28 2j9tA1 GLU 51 HB3 -0.00 -0.02 -0.03 -0.04 1.99 1.90 2j9tA1 GLU 51 HG2 0.03 -0.01 0.03 -0.04 2.34 2.35 2j9tA1 GLU 51 HG3 0.05 -0.04 -0.00 -0.04 2.34 2.31 2j9tA1 GLN 52 H -0.01 0.64 -0.09 -0.55 8.47 8.46 2j9tA1 GLN 52 HA -0.00 0.01 0.47 -0.75 4.36 4.08 2j9tA1 GLN 52 HB2 -0.01 -0.02 0.14 -0.04 2.15 2.21 2j9tA1 GLN 52 HB3 -0.01 0.18 0.25 -0.04 2.02 2.39 2j9tA1 GLN 52 HG2 -0.01 -0.08 -0.11 -0.04 2.40 2.17 2j9tA1 GLN 52 HG3 -0.01 -0.02 -0.01 -0.04 2.39 2.31 2j9tA1 GLN 52 HE21 -0.01 -0.01 -0.07 -0.04 6.97 6.84 2j9tA1 GLN 52 HE22 -0.01 -0.04 -0.12 -0.04 7.69 7.49 2j9tA1 LYS 53 H -0.01 0.55 -0.08 -0.55 8.42 8.33 2j9tA1 LYS 53 HA -0.03 0.01 0.44 -0.75 4.32 3.99 2j9tA1 LYS 53 HB2 -0.01 0.14 0.15 -0.04 1.87 2.11 2j9tA1 LYS 53 HB3 -0.02 -0.01 -0.02 -0.04 1.79 1.70 2j9tA1 LYS 53 HG2 -0.01 0.00 -0.32 -0.04 1.46 1.09 2j9tA1 LYS 53 HG3 -0.02 -0.04 -0.00 -0.04 1.46 1.35 2j9tA1 LYS 53 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.59 2j9tA1 LYS 53 HD3 -0.00 0.03 -0.06 -0.04 1.68 1.60 2j9tA1 LYS 53 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2j9tA1 LYS 53 HE3 -0.00 -0.00 -0.03 -0.04 2.99 2.91 2j9tA1 LEU 54 H -0.01 0.66 -0.08 -0.55 8.37 8.40 2j9tA1 LEU 54 HA -0.02 -0.00 0.48 -0.75 4.35 4.05 2j9tA1 LEU 54 HB2 0.01 0.12 0.17 -0.04 1.64 1.89 2j9tA1 LEU 54 HB3 -0.02 -0.04 0.03 -0.04 1.64 1.57 2j9tA1 LEU 54 HG -0.05 0.07 0.07 -0.04 1.64 1.70 2j9tA1 LEU 54 HD13 -0.15 -0.02 -0.05 -0.04 0.93 0.67 2j9tA1 LEU 54 HD23 -0.07 -0.01 -0.00 -0.04 0.89 0.76 2j9tA1 GLY 55 H -0.00 0.46 -0.28 -0.55 8.43 8.06 2j9tA1 GLY 55 HA2 0.01 0.01 0.44 -0.51 4.01 3.96 2j9tA1 GLY 55 HA3 0.00 0.09 0.33 -0.51 4.01 3.93 2j9tA1 ALA 56 H -0.02 0.51 -0.12 -0.55 8.40 8.22 2j9tA1 ALA 56 HA -0.03 0.02 0.46 -0.75 4.34 4.04 2j9tA1 ALA 56 HB3 -0.05 0.03 0.12 -0.04 1.41 1.48 2j9tA1 ALA 57 H -0.09 0.49 -0.23 -0.55 8.40 8.03 2j9tA1 ALA 57 HA -0.50 -0.02 0.45 -0.75 4.34 3.52 2j9tA1 ALA 57 HB3 -0.30 0.06 0.06 -0.04 1.41 1.18 2j9tA1 ILE 58 H 0.05 0.46 -0.17 -0.55 8.25 8.04 2j9tA1 ILE 58 HA 0.47 0.03 0.47 -0.75 4.18 4.40 2j9tA1 ILE 58 HB 0.07 0.12 0.21 -0.04 1.89 2.25 2j9tA1 ILE 58 HG12 0.05 -0.05 0.02 -0.04 1.49 1.48 2j9tA1 ILE 58 HG13 0.07 0.17 0.07 -0.04 1.21 1.48 2j9tA1 ILE 58 HG23 0.12 -0.01 -0.07 -0.04 0.93 0.93 2j9tA1 ILE 58 HD13 -0.04 -0.02 -0.05 -0.04 0.88 0.73 2j9tA1 ASP 59 H 0.03 0.50 -0.18 -0.55 8.40 8.20 2j9tA1 ASP 59 HA 0.06 0.03 0.44 -0.75 4.63 4.41 2j9tA1 ASP 59 HB2 0.00 0.08 0.19 -0.04 2.71 2.94 2j9tA1 ASP 59 HB3 0.01 -0.03 0.00 -0.04 2.70 2.64 2j9tA1 GLU 60 H -0.03 0.42 -0.24 -0.55 8.60 8.20 2j9tA1 GLU 60 HA 0.00 0.02 0.44 -0.75 4.29 4.00 2j9tA1 GLU 60 HB2 -0.11 0.06 0.17 -0.04 2.09 2.17 2j9tA1 GLU 60 HB3 -0.22 0.12 0.15 -0.04 1.99 2.01 2j9tA1 GLU 60 HG2 0.03 0.07 0.08 -0.04 2.34 2.48 2j9tA1 GLU 60 HG3 0.12 0.02 -0.08 -0.04 2.34 2.35 2j9tA1 PHE 61 H 0.16 0.43 -0.27 -0.55 8.34 8.10 2j9tA1 PHE 61 HA -0.02 -0.01 0.39 -0.75 4.62 4.22 2j9tA1 PHE 61 HB2 -0.35 0.03 0.13 -0.04 3.15 2.92 2j9tA1 PHE 61 HB3 0.01 0.13 0.18 -0.04 3.06 3.33 2j9tA1 PHE 61 HD2 -0.32 0.03 -0.11 -0.04 7.28 6.84 2j9tA1 PHE 61 HE2 -0.17 0.02 -0.07 -0.04 7.38 7.13 2j9tA1 PHE 61 HZ -0.08 -0.05 -0.02 -0.04 7.32 7.14 2j9tA1 ALA 62 H 0.21 0.51 -0.09 -0.55 8.40 8.48 2j9tA1 ALA 62 HA 0.11 0.01 0.37 -0.75 4.34 4.08 2j9tA1 ALA 62 HB3 0.11 -0.01 0.09 -0.04 1.41 1.56 2j9tA1 SER 63 H 0.01 0.32 -0.41 -0.55 8.46 7.84 2j9tA1 SER 63 HA -0.01 0.01 0.42 -0.75 4.49 4.16 2j9tA1 SER 63 HB2 -0.00 0.09 0.08 -0.04 3.95 4.08 2j9tA1 SER 63 HB3 -0.01 -0.09 0.04 -0.04 3.93 3.84 2j9tA1 LEU 64 H -0.11 0.29 -0.37 -0.55 8.37 7.63 2j9tA1 LEU 64 HA -0.07 0.11 0.38 -0.75 4.35 4.01 2j9tA1 LEU 64 HB2 -0.36 0.21 0.12 -0.04 1.64 1.57 2j9tA1 LEU 64 HB3 -0.19 -0.09 -0.05 -0.04 1.64 1.27 2j9tA1 LEU 64 HG -0.32 -0.03 0.08 -0.04 1.64 1.32 2j9tA1 LEU 64 HD13 -0.17 -0.01 -0.03 -0.04 0.93 0.67 2j9tA1 LEU 64 HD23 -0.05 0.01 -0.23 -0.04 0.89 0.58 2j9tA1 ARG 65 H -0.04 0.33 0.32 -0.55 8.46 8.52 2j9tA1 ARG 65 HA -0.03 0.05 0.70 -0.75 4.34 4.31 2j9tA1 ARG 65 HB2 -0.02 0.08 0.03 -0.04 1.90 1.95 2j9tA1 ARG 65 HB3 -0.02 0.03 -0.01 -0.04 1.80 1.76 2j9tA1 ARG 65 HG2 -0.01 -0.10 -0.28 -0.04 1.67 1.24 2j9tA1 ARG 65 HG3 -0.00 0.05 -0.08 -0.04 1.67 1.59 2j9tA1 ARG 65 HD2 -0.02 -0.01 -0.06 -0.04 3.22 3.08 2j9tA1 ARG 65 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.10 2j9tA1 LEU 66 H 0.01 0.09 0.13 -0.55 8.37 8.06 2j9tA1 LEU 66 HA 0.08 0.11 0.52 -0.75 4.35 4.31 2j9tA1 LEU 66 HB2 0.07 -0.04 0.08 -0.04 1.64 1.70 2j9tA1 LEU 66 HB3 0.24 0.07 0.06 -0.04 1.64 1.97 2j9tA1 LEU 66 HG 0.06 -0.03 0.02 -0.04 1.64 1.64 2j9tA1 LEU 66 HD13 -0.12 -0.01 -0.01 -0.04 0.93 0.74 2j9tA1 LEU 66 HD23 0.16 0.02 -0.03 -0.04 0.89 1.00 2j9tA1 PRO 67 HA -0.15 0.25 0.35 -0.51 4.44 4.39 2j9tA1 PRO 67 HB2 0.07 -0.07 -0.08 -0.04 2.28 2.17 2j9tA1 PRO 67 HB3 -0.24 0.01 0.02 -0.04 2.02 1.77 2j9tA1 PRO 67 HG2 0.17 0.11 0.15 -0.04 2.03 2.42 2j9tA1 PRO 67 HG3 0.09 -0.03 0.18 -0.04 2.03 2.23 2j9tA1 PRO 67 HD2 0.22 0.05 0.20 -0.04 3.68 4.11 2j9tA1 PRO 67 HD3 0.10 0.16 0.26 -0.04 3.65 4.14 2j9tA1 ASP 68 H -0.31 0.60 0.28 -0.55 8.40 8.42 2j9tA1 ASP 68 HA 0.14 0.06 0.55 -0.75 4.63 4.63 2j9tA1 ASP 68 HB2 0.06 0.20 -0.32 -0.04 2.71 2.60 2j9tA1 ASP 68 HB3 -0.00 -0.01 -0.11 -0.04 2.70 2.53 2j9tA1 ARG 69 H 0.06 0.19 0.08 -0.55 8.46 8.23 2j9tA1 ARG 69 HA -0.03 0.34 0.87 -0.75 4.34 4.77 2j9tA1 ARG 69 HB2 0.05 -0.05 -0.02 -0.04 1.90 1.83 2j9tA1 ARG 69 HB3 0.04 -0.12 -0.27 -0.04 1.80 1.41 2j9tA1 ARG 69 HG2 0.05 0.11 -0.37 -0.04 1.67 1.41 2j9tA1 ARG 69 HG3 0.03 -0.03 -0.32 -0.04 1.67 1.31 2j9tA1 ARG 69 HD2 0.05 -0.11 -0.24 -0.04 3.22 2.88 2j9tA1 ARG 69 HD3 0.08 0.09 -0.68 -0.04 3.22 2.66 2j9tA1 ILE 70 H 0.00 0.75 0.07 -0.55 8.25 8.52 2j9tA1 ILE 70 HA 0.02 0.12 0.96 -0.75 4.18 4.52 2j9tA1 ILE 70 HB -0.00 0.08 0.12 -0.04 1.89 2.04 2j9tA1 ILE 70 HG12 -0.00 0.03 -0.06 -0.04 1.49 1.42 2j9tA1 ILE 70 HG13 0.01 0.04 -0.11 -0.04 1.21 1.10 2j9tA1 ILE 70 HG23 0.01 -0.00 -0.07 -0.04 0.93 0.82 2j9tA1 ILE 70 HD13 -0.02 -0.04 -0.34 -0.04 0.88 0.43 2j9tA1 ASP 71 H 0.02 0.17 0.07 -0.55 8.40 8.12 2j9tA1 ASP 71 HA 0.02 0.03 0.33 -0.75 4.63 4.26 2j9tA1 ASP 71 HB2 0.01 0.06 -0.44 -0.04 2.71 2.30 2j9tA1 ASP 71 HB3 0.02 0.05 0.37 -0.04 2.70 3.09 2j9tA1 GLY 72 H 0.03 0.04 -0.16 -0.55 8.43 7.80 2j9tA1 GLY 72 HA2 0.03 -0.04 0.28 -0.51 4.01 3.77 2j9tA1 GLY 72 HA3 0.03 0.13 0.39 -0.51 4.01 4.05 2j9tA1 ARG 73 H 0.03 0.16 -1.19 -0.55 8.46 6.90 2j9tA1 ARG 73 HA 0.06 0.12 0.73 -0.75 4.34 4.50 2j9tA1 ARG 73 HB2 0.03 -0.02 0.03 -0.04 1.90 1.91 2j9tA1 ARG 73 HB3 0.04 0.00 0.03 -0.04 1.80 1.83 2j9tA1 ARG 73 HG2 0.02 -0.04 -0.00 -0.04 1.67 1.61 2j9tA1 ARG 73 HG3 0.02 0.11 -0.08 -0.04 1.67 1.68 2j9tA1 ARG 73 HD2 0.01 -0.06 0.10 -0.04 3.22 3.23 2j9tA1 ARG 73 HD3 0.02 0.03 0.10 -0.04 3.22 3.32 2j9tA1 PHE 74 H 0.19 0.18 0.14 -0.55 8.34 8.29 2j9tA1 PHE 74 HA -0.02 0.06 0.43 -0.75 4.62 4.35 2j9tA1 PHE 74 HB2 -0.03 -0.02 0.08 -0.04 3.15 3.13 2j9tA1 PHE 74 HB3 -0.02 -0.01 0.17 -0.04 3.06 3.17 2j9tA1 PHE 74 HD2 -0.05 -0.04 -0.17 -0.04 7.28 6.98 2j9tA1 PHE 74 HE2 -0.05 0.00 -0.16 -0.04 7.38 7.14 2j9tA1 PHE 74 HZ -0.02 0.17 0.04 -0.04 7.32 7.47 2j9tA1 VAL 75 H -0.40 1.00 0.47 -0.55 8.24 8.76 2j9tA1 VAL 75 HA -0.12 0.10 1.01 -0.75 4.13 4.37 2j9tA1 VAL 75 HB -0.13 -0.04 0.09 -0.04 2.12 2.00 2j9tA1 VAL 75 HG13 -0.05 0.03 -0.01 -0.04 0.97 0.90 2j9tA1 VAL 75 HG23 -0.05 -0.01 -0.06 -0.04 0.95 0.79 2j9tA1 ASP 76 H -0.08 0.10 0.11 -0.55 8.40 7.98 2j9tA1 ASP 76 HA -0.18 -0.01 0.40 -0.75 4.63 4.09 2j9tA1 ASP 76 HB2 0.08 -0.05 0.17 -0.04 2.71 2.87 2j9tA1 ASP 76 HB3 0.01 0.08 0.02 -0.04 2.70 2.76 2j9tA1 GLY 77 H -0.00 0.03 0.17 -0.55 8.43 8.08 2j9tA1 GLY 77 HA2 -0.03 0.20 0.56 -0.51 4.01 4.23 2j9tA1 GLY 77 HA3 0.00 0.11 0.30 -0.51 4.01 3.92 2j9tA1 ARG 78 H -0.01 0.45 0.32 -0.55 8.46 8.67 2j9tA1 ARG 78 HA -0.00 0.08 1.00 -0.75 4.34 4.67 2j9tA1 ARG 78 HB2 -0.01 -0.01 0.04 -0.04 1.90 1.87 2j9tA1 ARG 78 HB3 -0.02 0.06 0.16 -0.04 1.80 1.96 2j9tA1 ARG 78 HG2 -0.00 -0.05 0.07 -0.04 1.67 1.64 2j9tA1 ARG 78 HG3 -0.01 -0.07 -0.00 -0.04 1.67 1.55 2j9tA1 ARG 78 HD2 -0.02 0.20 -0.31 -0.04 3.22 3.05 2j9tA1 ARG 78 HD3 -0.01 0.17 -0.11 -0.04 3.22 3.23 2j9tA1 ARG 79 H 0.01 0.08 0.12 -0.55 8.46 8.12 2j9tA1 ARG 79 HA -0.01 0.15 0.64 -0.75 4.34 4.38 2j9tA1 ARG 79 HB2 0.01 -0.02 -0.00 -0.04 1.90 1.85 2j9tA1 ARG 79 HB3 0.01 -0.06 0.16 -0.04 1.80 1.87 2j9tA1 ARG 79 HG2 0.02 -0.02 -0.04 -0.04 1.67 1.59 2j9tA1 ARG 79 HG3 0.02 -0.02 0.03 -0.04 1.67 1.65 2j9tA1 ARG 79 HD2 0.02 -0.07 -0.03 -0.04 3.22 3.10 2j9tA1 ARG 79 HD3 0.02 -0.01 0.07 -0.04 3.22 3.26 2j9tA1 ALA 80 H 0.00 0.14 0.16 -0.55 8.40 8.15 2j9tA1 ALA 80 HA 0.03 0.26 0.97 -0.75 4.34 4.85 2j9tA1 ALA 80 HB3 0.06 0.04 -0.09 -0.04 1.41 1.38 2j9tA1 ASN 81 H 0.07 0.24 0.10 -0.55 8.53 8.40 2j9tA1 ASN 81 HA 0.06 0.11 0.72 -0.75 4.76 4.90 2j9tA1 ASN 81 HB2 0.03 0.11 0.10 -0.04 2.88 3.08 2j9tA1 ASN 81 HB3 0.04 0.02 0.22 -0.04 2.79 3.03 2j9tA1 ASN 81 HD21 0.02 0.02 -0.01 -0.04 7.03 7.01 2j9tA1 ASN 81 HD22 0.01 0.08 0.02 -0.04 7.74 7.81 2j9tA1 LEU 82 H 0.08 0.28 0.15 -0.55 8.37 8.34 2j9tA1 LEU 82 HA 0.32 0.15 0.47 -0.75 4.35 4.53 2j9tA1 LEU 82 HB2 0.05 -0.00 0.08 -0.04 1.64 1.73 2j9tA1 LEU 82 HB3 0.03 0.02 0.08 -0.04 1.64 1.74 2j9tA1 LEU 82 HG 0.02 0.08 0.06 -0.04 1.64 1.76 2j9tA1 LEU 82 HD13 -0.02 0.01 0.02 -0.04 0.93 0.90 2j9tA1 LEU 82 HD23 -0.09 0.02 -0.18 -0.04 0.89 0.60 2j9tA1 THR 83 H 0.09 0.12 -0.19 -0.55 8.28 7.76 2j9tA1 THR 83 HA 0.08 0.08 0.41 -0.75 4.39 4.21 2j9tA1 THR 83 HB 0.04 0.04 0.07 -0.04 4.32 4.42 2j9tA1 THR 83 HG23 0.04 0.01 0.04 -0.04 1.22 1.27 2j9tA1 VAL 84 H 0.08 0.30 -0.43 -0.55 8.24 7.64 2j9tA1 VAL 84 HA -0.05 0.04 0.36 -0.75 4.13 3.74 2j9tA1 VAL 84 HB -0.22 0.19 0.09 -0.04 2.12 2.15 2j9tA1 VAL 84 HG13 -0.27 0.02 -0.19 -0.04 0.97 0.50 2j9tA1 VAL 84 HG23 -0.04 -0.02 0.03 -0.04 0.95 0.88 2j9tA1 PHE 85 H 0.31 0.36 -0.32 -0.55 8.34 8.14 2j9tA1 PHE 85 HA 0.05 0.08 0.57 -0.75 4.62 4.57 2j9tA1 PHE 85 HB2 0.03 0.13 0.14 -0.04 3.15 3.41 2j9tA1 PHE 85 HB3 0.06 0.05 0.06 -0.04 3.06 3.18 2j9tA1 PHE 85 HD2 0.07 0.01 0.05 -0.04 7.28 7.37 2j9tA1 PHE 85 HE2 -0.23 0.01 -0.14 -0.04 7.38 6.99 2j9tA1 PHE 85 HZ -0.07 0.02 -0.08 -0.04 7.32 7.16 2j9tA1 ASP 86 H 0.16 0.25 -0.09 -0.55 8.40 8.18 2j9tA1 ASP 86 HA 0.08 0.06 0.41 -0.75 4.63 4.44 2j9tA1 ASP 86 HB2 0.07 0.10 0.19 -0.04 2.71 3.02 2j9tA1 ASP 86 HB3 0.05 -0.01 0.01 -0.04 2.70 2.71 2j9tA1 ASP 87 H 0.04 0.52 -0.22 -0.55 8.40 8.19 2j9tA1 ASP 87 HA 0.02 0.02 0.41 -0.75 4.63 4.33 2j9tA1 ASP 87 HB2 -0.01 0.14 0.09 -0.04 2.71 2.89 2j9tA1 ASP 87 HB3 -0.00 -0.04 -0.00 -0.04 2.70 2.62 2j9tA1 ALA 88 H 0.01 0.35 -0.31 -0.55 8.40 7.90 2j9tA1 ALA 88 HA -0.01 -0.03 0.36 -0.75 4.34 3.91 2j9tA1 ALA 88 HB3 -0.00 0.08 0.05 -0.04 1.41 1.49 2j9tA1 ARG 89 H 0.05 0.48 -0.19 -0.55 8.46 8.24 2j9tA1 ARG 89 HA 0.00 0.02 0.39 -0.75 4.34 4.00 2j9tA1 ARG 89 HB2 0.04 0.02 0.11 -0.04 1.90 2.03 2j9tA1 ARG 89 HB3 0.05 0.11 0.18 -0.04 1.80 2.10 2j9tA1 ARG 89 HG2 0.02 0.02 -0.30 -0.04 1.67 1.37 2j9tA1 ARG 89 HG3 0.02 -0.06 -0.00 -0.04 1.67 1.58 2j9tA1 ARG 89 HD2 0.02 -0.01 -0.02 -0.04 3.22 3.18 2j9tA1 ARG 89 HD3 0.04 0.03 0.00 -0.04 3.22 3.25 2j9tA1 VAL 90 H 0.02 0.49 -0.15 -0.55 8.24 8.06 2j9tA1 VAL 90 HA 0.02 0.05 0.53 -0.75 4.13 3.98 2j9tA1 VAL 90 HB 0.02 -0.03 0.10 -0.04 2.12 2.16 2j9tA1 VAL 90 HG13 0.02 0.17 0.08 -0.04 0.97 1.20 2j9tA1 VAL 90 HG23 0.02 0.05 -0.01 -0.04 0.95 0.96 2j9tA1 ALA 91 H 0.01 0.51 -0.21 -0.55 8.40 8.16 2j9tA1 ALA 91 HA 0.03 0.02 0.47 -0.75 4.34 4.10 2j9tA1 ALA 91 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2j9tA1 VAL 92 H 0.01 0.53 -0.10 -0.55 8.24 8.12 2j9tA1 VAL 92 HA 0.10 -0.01 0.47 -0.75 4.13 3.93 2j9tA1 VAL 92 HB -0.04 0.11 0.14 -0.04 2.12 2.30 2j9tA1 VAL 92 HG13 -0.06 -0.01 -0.07 -0.04 0.97 0.79 2j9tA1 VAL 92 HG23 -0.19 0.04 -0.00 -0.04 0.95 0.76 2j9tA1 ARG 93 H 0.02 0.48 -0.16 -0.55 8.46 8.25 2j9tA1 ARG 93 HA 0.03 0.03 0.47 -0.75 4.34 4.12 2j9tA1 ARG 93 HB2 0.02 0.08 0.13 -0.04 1.90 2.09 2j9tA1 ARG 93 HB3 0.01 -0.04 0.04 -0.04 1.80 1.77 2j9tA1 ARG 93 HG2 0.01 -0.04 0.03 -0.04 1.67 1.62 2j9tA1 ARG 93 HG3 0.01 0.37 0.17 -0.04 1.67 2.18 2j9tA1 ARG 93 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 2j9tA1 ARG 93 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.16 2j9tA1 GLY 94 H 0.04 0.58 -0.13 -0.55 8.43 8.38 2j9tA1 GLY 94 HA2 0.02 0.01 0.46 -0.51 4.01 4.00 2j9tA1 GLY 94 HA3 0.04 0.07 0.36 -0.51 4.01 3.98 2j9tA1 HIS 95 H 0.15 0.69 -0.02 -0.55 8.41 8.68 2j9tA1 HIS 95 HA -0.02 0.01 0.40 -0.75 4.63 4.26 2j9tA1 HIS 95 HB2 0.03 0.09 0.19 -0.04 3.26 3.53 2j9tA1 HIS 95 HB3 0.05 0.09 0.13 -0.04 3.20 3.43 2j9tA1 HIS 95 HD2 -0.02 0.02 -0.02 -0.04 6.97 6.91 2j9tA1 HIS 95 HE1 -0.15 0.00 -0.03 -0.04 7.75 7.52 2j9tA1 ALA 96 H 0.07 0.49 -0.24 -0.55 8.40 8.18 2j9tA1 ALA 96 HA -0.13 -0.02 0.44 -0.75 4.34 3.88 2j9tA1 ALA 96 HB3 0.02 0.04 0.11 -0.04 1.41 1.55 2j9tA1 ARG 97 H -0.02 0.52 -0.17 -0.55 8.46 8.23 2j9tA1 ARG 97 HA -0.03 -0.01 0.45 -0.75 4.34 3.99 2j9tA1 ARG 97 HB2 -0.01 0.21 0.25 -0.04 1.90 2.31 2j9tA1 ARG 97 HB3 -0.01 -0.04 0.00 -0.04 1.80 1.71 2j9tA1 ARG 97 HG2 -0.00 -0.05 0.05 -0.04 1.67 1.63 2j9tA1 ARG 97 HG3 -0.00 -0.01 0.06 -0.04 1.67 1.68 2j9tA1 ARG 97 HD2 0.01 0.06 -0.02 -0.04 3.22 3.23 2j9tA1 ARG 97 HD3 0.00 -0.03 0.01 -0.04 3.22 3.16 2j9tA1 ALA 98 H -0.08 0.49 -0.12 -0.55 8.40 8.15 2j9tA1 ALA 98 HA -0.04 0.03 0.46 -0.75 4.34 4.04 2j9tA1 ALA 98 HB3 -0.08 0.02 0.03 -0.04 1.41 1.35 2j9tA1 GLN 99 H -0.31 0.59 -0.13 -0.55 8.47 8.07 2j9tA1 GLN 99 HA -0.27 -0.01 0.43 -0.75 4.36 3.75 2j9tA1 GLN 99 HB2 -0.45 0.15 0.21 -0.04 2.15 2.02 2j9tA1 GLN 99 HB3 -1.08 -0.06 0.02 -0.04 2.02 0.86 2j9tA1 GLN 99 HG2 -1.51 -0.07 -0.00 -0.04 2.40 0.78 2j9tA1 GLN 99 HG3 -0.99 0.22 0.05 -0.04 2.39 1.63 2j9tA1 GLN 99 HE21 -0.23 -0.03 -0.04 -0.04 6.97 6.63 2j9tA1 GLN 99 HE22 -0.59 -0.02 -0.02 -0.04 7.69 7.01 2j9tA1 ARG 100 H -0.10 0.62 -0.04 -0.55 8.46 8.38 2j9tA1 ARG 100 HA 0.04 -0.03 0.37 -0.75 4.34 3.96 2j9tA1 ARG 100 HB2 -0.02 0.13 0.18 -0.04 1.90 2.14 2j9tA1 ARG 100 HB3 0.01 -0.04 0.01 -0.04 1.80 1.74 2j9tA1 ARG 100 HG2 0.02 -0.06 0.06 -0.04 1.67 1.65 2j9tA1 ARG 100 HG3 -0.02 0.09 0.07 -0.04 1.67 1.76 2j9tA1 ARG 100 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 2j9tA1 ARG 100 HD3 0.01 -0.03 0.00 -0.04 3.22 3.16 2j9tA1 ASN 101 H -0.01 0.48 -0.32 -0.55 8.53 8.13 2j9tA1 ASN 101 HA 0.01 -0.01 0.44 -0.75 4.76 4.44 2j9tA1 ASN 101 HB2 -0.00 0.17 0.24 -0.04 2.88 3.24 2j9tA1 ASN 101 HB3 0.01 -0.01 0.01 -0.04 2.79 2.75 2j9tA1 ASN 101 HD21 0.00 -0.07 -0.01 -0.04 7.03 6.91 2j9tA1 ASN 101 HD22 0.00 0.02 0.01 -0.04 7.74 7.74 2j9tA1 LEU 102 H 0.05 0.55 -0.03 -0.55 8.37 8.39 2j9tA1 LEU 102 HA 0.05 0.02 0.45 -0.75 4.35 4.12 2j9tA1 LEU 102 HB2 0.12 0.19 0.20 -0.04 1.64 2.11 2j9tA1 LEU 102 HB3 0.23 -0.02 0.09 -0.04 1.64 1.89 2j9tA1 LEU 102 HG 0.06 0.07 0.04 -0.04 1.64 1.78 2j9tA1 LEU 102 HD13 0.10 -0.02 -0.03 -0.04 0.93 0.93 2j9tA1 LEU 102 HD23 0.02 -0.02 0.00 -0.04 0.89 0.86 2j9tA1 LEU 103 H 0.18 0.76 0.03 -0.55 8.37 8.79 2j9tA1 LEU 103 HA 0.04 -0.02 0.36 -0.75 4.35 3.98 2j9tA1 LEU 103 HB2 0.21 0.21 0.10 -0.04 1.64 2.11 2j9tA1 LEU 103 HB3 0.09 0.02 -0.05 -0.04 1.64 1.66 2j9tA1 LEU 103 HG 0.33 -0.02 -0.03 -0.04 1.64 1.88 2j9tA1 LEU 103 HD13 0.10 -0.02 -0.05 -0.04 0.93 0.92 2j9tA1 LEU 103 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.83 2j9tA1 GLU 104 H 0.05 0.56 -0.34 -0.55 8.60 8.32 2j9tA1 GLU 104 HA 0.02 -0.01 0.50 -0.75 4.29 4.05 2j9tA1 GLU 104 HB2 0.02 0.19 0.22 -0.04 2.09 2.48 2j9tA1 GLU 104 HB3 0.02 -0.08 0.03 -0.04 1.99 1.92 2j9tA1 GLU 104 HG2 0.02 -0.08 0.04 -0.04 2.34 2.28 2j9tA1 GLU 104 HG3 0.03 0.04 0.08 -0.04 2.34 2.45 2j9tA1 ARG 105 H 0.02 0.58 0.00 -0.55 8.46 8.52 2j9tA1 ARG 105 HA 0.01 0.01 0.55 -0.75 4.34 4.16 2j9tA1 ARG 105 HB2 0.01 -0.06 0.11 -0.04 1.90 1.92 2j9tA1 ARG 105 HB3 0.02 0.11 0.17 -0.04 1.80 2.05 2j9tA1 ARG 105 HG2 0.02 0.03 0.14 -0.04 1.67 1.82 2j9tA1 ARG 105 HG3 0.01 0.07 -0.33 -0.04 1.67 1.38 2j9tA1 ARG 105 HD2 0.01 -0.04 -0.03 -0.04 3.22 3.11 2j9tA1 ARG 105 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 2j9tA1 LEU 106 H 0.01 0.61 -0.16 -0.55 8.37 8.29 2j9tA1 LEU 106 HA -0.01 0.04 0.40 -0.75 4.35 4.03 2j9tA1 LEU 106 HB2 -0.01 0.17 0.12 -0.04 1.64 1.89 2j9tA1 LEU 106 HB3 -0.02 -0.02 -0.10 -0.04 1.64 1.46 2j9tA1 LEU 106 HG -0.03 -0.00 -0.08 -0.04 1.64 1.48 2j9tA1 LEU 106 HD13 -0.01 0.00 -0.04 -0.04 0.93 0.84 2j9tA1 LEU 106 HD23 -0.07 -0.01 -0.08 -0.04 0.89 0.69 2j9tA1 GLU 107 H 0.01 0.46 -0.18 -0.55 8.60 8.34 2j9tA1 GLU 107 HA -0.00 0.04 0.39 -0.75 4.29 3.96 2j9tA1 GLU 107 HB2 0.01 -0.07 0.08 -0.04 2.09 2.06 2j9tA1 GLU 107 HB3 0.01 0.18 0.24 -0.04 1.99 2.37 2j9tA1 GLU 107 HG2 0.01 0.05 -0.14 -0.04 2.34 2.22 2j9tA1 GLU 107 HG3 0.01 -0.04 -0.25 -0.04 2.34 2.01 2j9tA1 THR 108 H 0.01 0.60 -0.06 -0.55 8.28 8.28 2j9tA1 THR 108 HA 0.00 -0.01 0.38 -0.75 4.39 4.01 2j9tA1 THR 108 HB 0.01 -0.04 0.14 -0.04 4.32 4.38 2j9tA1 THR 108 HG23 0.01 0.14 0.23 -0.04 1.22 1.56 2j9tA1 GLU 109 H 0.00 0.39 -0.43 -0.55 8.60 8.02 2j9tA1 GLU 109 HA -0.00 0.11 0.62 -0.75 4.29 4.27 2j9tA1 GLU 109 HB2 -0.00 -0.08 0.14 -0.04 2.09 2.11 2j9tA1 GLU 109 HB3 0.00 0.04 0.11 -0.04 1.99 2.10 2j9tA1 GLU 109 HG2 -0.00 0.17 0.06 -0.04 2.34 2.53 2j9tA1 GLU 109 HG3 -0.01 -0.02 -0.16 -0.04 2.34 2.12 2j9tA1 LEU 110 H -0.00 0.43 -0.54 -0.55 8.37 7.71 2j9tA1 LEU 110 HA -0.01 0.13 0.80 -0.75 4.35 4.53 2j9tA1 LEU 110 HB2 -0.01 0.10 0.04 -0.04 1.64 1.72 2j9tA1 LEU 110 HB3 -0.01 0.03 0.10 -0.04 1.64 1.72 2j9tA1 LEU 110 HG -0.01 -0.05 0.16 -0.04 1.64 1.70 2j9tA1 LEU 110 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.84 2j9tA1 LEU 110 HD23 -0.01 -0.03 -0.02 -0.04 0.89 0.78 2j9tA1 LEU 111 H -0.00 0.38 -0.39 -0.55 8.37 7.81 2j9tA1 LEU 111 HA -0.00 0.17 0.75 -0.75 4.35 4.52 2j9tA1 LEU 111 HB2 0.00 0.09 0.08 -0.04 1.64 1.77 2j9tA1 LEU 111 HB3 0.00 -0.08 0.08 -0.04 1.64 1.60 2j9tA1 LEU 111 HG 0.00 0.31 -0.20 -0.04 1.64 1.71 2j9tA1 LEU 111 HD13 0.00 -0.04 -0.04 -0.04 0.93 0.81 2j9tA1 LEU 111 HD23 -0.00 0.14 -0.16 -0.04 0.89 0.82 2j9tA1 ASP 127 HA -0.00 0.01 0.24 -0.75 4.63 4.13 2j9tA1 ASP 127 HB2 -0.00 0.08 0.11 -0.04 2.71 2.86 2j9tA1 ASP 127 HB3 -0.00 -0.16 -0.02 -0.04 2.70 2.47 2j9tA1 PRO 128 HA -0.00 0.14 0.59 -0.51 4.44 4.65 2j9tA1 PRO 128 HB2 -0.00 0.04 0.06 -0.04 2.28 2.34 2j9tA1 PRO 128 HB3 -0.00 0.07 0.12 -0.04 2.02 2.17 2j9tA1 PRO 128 HG2 -0.00 -0.16 0.21 -0.04 2.03 2.03 2j9tA1 PRO 128 HG3 -0.00 0.11 0.12 -0.04 2.03 2.22 2j9tA1 PRO 128 HD2 -0.00 0.13 0.22 -0.04 3.68 3.99 2j9tA1 PRO 128 HD3 -0.00 0.19 0.18 -0.04 3.65 3.97 2j9tA1 ILE 129 H -0.01 0.21 0.09 -0.55 8.25 7.99 2j9tA1 ILE 129 HA -0.01 0.03 0.35 -0.75 4.18 3.80 2j9tA1 ILE 129 HB -0.01 0.11 -0.04 -0.04 1.89 1.91 2j9tA1 ILE 129 HG12 -0.01 -0.08 0.15 -0.04 1.49 1.51 2j9tA1 ILE 129 HG13 -0.01 0.02 0.10 -0.04 1.21 1.29 2j9tA1 ILE 129 HG23 -0.01 0.01 0.03 -0.04 0.93 0.93 2j9tA1 ILE 129 HD13 -0.01 0.03 0.03 -0.04 0.88 0.89 2j9tA1 LEU 130 H -0.00 0.06 -0.52 -0.55 8.37 7.36 2j9tA1 LEU 130 HA -0.01 0.12 0.39 -0.75 4.35 4.10 2j9tA1 LEU 130 HB2 -0.00 0.07 -0.02 -0.04 1.64 1.64 2j9tA1 LEU 130 HB3 -0.00 0.05 -0.10 -0.04 1.64 1.55 2j9tA1 LEU 130 HG -0.00 -0.08 -0.07 -0.04 1.64 1.44 2j9tA1 LEU 130 HD13 -0.00 0.04 -0.64 -0.04 0.93 0.29 2j9tA1 LEU 130 HD23 -0.01 0.01 -0.11 -0.04 0.89 0.74 2j9tA1 GLN 131 H -0.00 0.36 -0.17 -0.55 8.47 8.11 2j9tA1 GLN 131 HA -0.00 0.06 0.53 -0.75 4.36 4.19 2j9tA1 GLN 131 HB2 -0.00 0.16 0.20 -0.04 2.15 2.47 2j9tA1 GLN 131 HB3 -0.00 0.02 0.21 -0.04 2.02 2.21 2j9tA1 GLN 131 HG2 0.00 0.01 0.04 -0.04 2.40 2.40 2j9tA1 GLN 131 HG3 0.00 -0.05 -0.09 -0.04 2.39 2.21 2j9tA1 GLN 131 HE21 0.00 -0.00 0.03 -0.04 6.97 6.96 2j9tA1 GLN 131 HE22 0.00 -0.03 -0.01 -0.04 7.69 7.62 2j9tA1 GLY 132 H -0.00 0.61 0.01 -0.55 8.43 8.50 2j9tA1 GLY 132 HA2 -0.00 0.01 0.41 -0.51 4.01 3.91 2j9tA1 GLY 132 HA3 -0.01 0.05 0.28 -0.51 4.01 3.83 2j9tA1 LEU 133 H -0.01 0.58 -0.16 -0.55 8.37 8.23 2j9tA1 LEU 133 HA -0.01 -0.03 0.41 -0.75 4.35 3.97 2j9tA1 LEU 133 HB2 -0.01 0.17 0.14 -0.04 1.64 1.90 2j9tA1 LEU 133 HB3 -0.01 -0.03 0.03 -0.04 1.64 1.58 2j9tA1 LEU 133 HG -0.01 0.32 0.13 -0.04 1.64 2.03 2j9tA1 LEU 133 HD13 -0.02 -0.01 -0.02 -0.04 0.93 0.85 2j9tA1 LEU 133 HD23 -0.02 -0.05 -0.01 -0.04 0.89 0.77 2j9tA1 VAL 134 H -0.00 0.41 -0.36 -0.55 8.24 7.74 2j9tA1 VAL 134 HA 0.00 0.03 0.49 -0.75 4.13 3.90 2j9tA1 VAL 134 HB 0.00 0.15 0.24 -0.04 2.12 2.47 2j9tA1 VAL 134 HG13 0.01 -0.03 -0.09 -0.04 0.97 0.82 2j9tA1 VAL 134 HG23 0.00 0.05 0.07 -0.04 0.95 1.02 2j9tA1 ASP 135 H 0.00 0.52 -0.08 -0.55 8.40 8.30 2j9tA1 ASP 135 HA 0.01 0.02 0.49 -0.75 4.63 4.39 2j9tA1 ASP 135 HB2 0.00 0.15 0.19 -0.04 2.71 3.01 2j9tA1 ASP 135 HB3 0.01 -0.07 0.04 -0.04 2.70 2.64 2j9tA1 VAL 136 H 0.00 0.40 -0.36 -0.55 8.24 7.73 2j9tA1 VAL 136 HA 0.01 0.03 0.61 -0.75 4.13 4.02 2j9tA1 VAL 136 HB -0.01 0.15 0.18 -0.04 2.12 2.40 2j9tA1 VAL 136 HG13 -0.02 -0.02 -0.11 -0.04 0.97 0.79 2j9tA1 VAL 136 HG23 -0.01 -0.00 0.00 -0.04 0.95 0.90 2j9tA1 ILE 137 H 0.00 0.57 -0.02 -0.55 8.25 8.25 2j9tA1 ILE 137 HA 0.01 -0.00 0.43 -0.75 4.18 3.86 2j9tA1 ILE 137 HB 0.01 0.11 0.19 -0.04 1.89 2.17 2j9tA1 ILE 137 HG12 -0.01 -0.10 0.08 -0.04 1.49 1.42 2j9tA1 ILE 137 HG13 -0.00 0.13 -0.03 -0.04 1.21 1.26 2j9tA1 ILE 137 HG23 0.02 -0.02 -0.06 -0.04 0.93 0.83 2j9tA1 ILE 137 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.79 2j9tA1 GLY 138 H 0.02 0.50 -0.24 -0.55 8.43 8.17 2j9tA1 GLY 138 HA2 0.04 0.02 0.39 -0.51 4.01 3.95 2j9tA1 GLY 138 HA3 0.03 0.09 0.28 -0.51 4.01 3.90 2j9tA1 GLN 139 H 0.03 0.35 -0.28 -0.55 8.47 8.04 2j9tA1 GLN 139 HA 0.07 0.02 0.49 -0.75 4.36 4.19 2j9tA1 GLN 139 HB2 0.03 0.17 0.26 -0.04 2.15 2.57 2j9tA1 GLN 139 HB3 0.04 -0.01 0.02 -0.04 2.02 2.03 2j9tA1 GLN 139 HG2 0.03 0.04 0.08 -0.04 2.40 2.51 2j9tA1 GLN 139 HG3 0.02 -0.03 0.04 -0.04 2.39 2.38 2j9tA1 GLN 139 HE21 0.10 -0.02 0.06 -0.04 6.97 7.06 2j9tA1 GLN 139 HE22 0.05 0.05 0.03 -0.04 7.69 7.77 2j9tA1 GLY 140 H 0.05 0.68 -0.10 -0.55 8.43 8.51 2j9tA1 GLY 140 HA2 0.11 -0.04 0.35 -0.51 4.01 3.92 2j9tA1 GLY 140 HA3 0.09 0.09 0.30 -0.51 4.01 3.99 2j9tA1 LYS 141 H 0.08 0.51 -0.29 -0.55 8.42 8.17 2j9tA1 LYS 141 HA 0.10 -0.00 0.48 -0.75 4.32 4.14 2j9tA1 LYS 141 HB2 0.06 0.16 0.17 -0.04 1.87 2.22 2j9tA1 LYS 141 HB3 0.05 -0.06 0.03 -0.04 1.79 1.77 2j9tA1 LYS 141 HG2 0.07 -0.07 0.02 -0.04 1.46 1.44 2j9tA1 LYS 141 HG3 0.06 0.21 0.03 -0.04 1.46 1.73 2j9tA1 LYS 141 HD2 0.04 -0.02 -0.00 -0.04 1.69 1.67 2j9tA1 LYS 141 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.65 2j9tA1 LYS 141 HE2 0.04 0.03 -0.12 -0.04 2.99 2.90 2j9tA1 LYS 141 HE3 0.03 -0.01 -0.07 -0.04 2.99 2.89 2j9tA1 SER 142 H 0.10 0.51 -0.10 -0.55 8.46 8.42 2j9tA1 SER 142 HA 0.08 0.00 0.43 -0.75 4.49 4.25 2j9tA1 SER 142 HB2 0.10 0.09 0.17 -0.04 3.95 4.26 2j9tA1 SER 142 HB3 0.16 0.11 0.21 -0.04 3.93 4.36 2j9tA1 ASP 143 H 0.19 0.53 -0.19 -0.55 8.40 8.38 2j9tA1 ASP 143 HA 0.51 0.00 0.49 -0.75 4.63 4.88 2j9tA1 ASP 143 HB2 0.22 0.15 0.09 -0.04 2.71 3.13 2j9tA1 ASP 143 HB3 0.37 -0.07 0.05 -0.04 2.70 3.02 2j9tA1 ILE 144 H 0.15 0.43 -0.24 -0.55 8.25 8.03 2j9tA1 ILE 144 HA 0.11 0.00 0.48 -0.75 4.18 4.02 2j9tA1 ILE 144 HB 0.06 0.18 0.26 -0.04 1.89 2.35 2j9tA1 ILE 144 HG12 -0.16 -0.08 0.04 -0.04 1.49 1.24 2j9tA1 ILE 144 HG13 0.11 0.14 0.07 -0.04 1.21 1.49 2j9tA1 ILE 144 HG23 -0.03 -0.02 -0.10 -0.04 0.93 0.73 2j9tA1 ILE 144 HD13 0.02 -0.02 -0.10 -0.04 0.88 0.73 2j9tA1 ASP 145 H 0.07 0.56 -0.01 -0.55 8.40 8.47 2j9tA1 ASP 145 HA 0.02 0.02 0.47 -0.75 4.63 4.38 2j9tA1 ASP 145 HB2 0.00 0.09 0.11 -0.04 2.71 2.87 2j9tA1 ASP 145 HB3 -0.01 -0.03 0.07 -0.04 2.70 2.68 2j9tA1 ALA 146 H 0.03 0.43 -0.26 -0.55 8.40 8.05 2j9tA1 ALA 146 HA -0.27 0.07 0.47 -0.75 4.34 3.85 2j9tA1 ALA 146 HB3 -0.55 0.02 0.12 -0.04 1.41 0.96 2j9tA1 TYR 147 H 0.22 0.58 -0.03 -0.55 8.29 8.52 2j9tA1 TYR 147 HA 0.05 0.02 0.47 -0.75 4.56 4.34 2j9tA1 TYR 147 HB2 0.21 0.24 0.21 -0.04 3.06 3.67 2j9tA1 TYR 147 HB3 0.41 -0.04 -0.01 -0.04 2.98 3.30 2j9tA1 TYR 147 HD2 0.32 0.04 0.06 -0.04 7.15 7.53 2j9tA1 TYR 147 HE2 0.26 0.00 -0.07 -0.04 6.85 7.00 2j9tA1 ALA 148 H 0.17 0.50 -0.15 -0.55 8.40 8.38 2j9tA1 ALA 148 HA 0.09 -0.02 0.38 -0.75 4.34 4.04 2j9tA1 ALA 148 HB3 0.06 0.03 0.10 -0.04 1.41 1.56 2j9tA1 THR 149 H -0.02 0.48 -0.29 -0.55 8.28 7.89 2j9tA1 THR 149 HA -0.04 -0.01 0.40 -0.75 4.39 3.99 2j9tA1 THR 149 HB -0.12 0.17 0.21 -0.04 4.32 4.53 2j9tA1 THR 149 HG23 -0.09 0.02 -0.11 -0.04 1.22 1.00 2j9tA1 ILE 150 H -0.12 0.65 -0.03 -0.55 8.25 8.20 2j9tA1 ILE 150 HA -0.11 0.01 0.42 -0.75 4.18 3.75 2j9tA1 ILE 150 HB -0.15 0.04 0.16 -0.04 1.89 1.89 2j9tA1 ILE 150 HG12 -0.23 -0.05 -0.03 -0.04 1.49 1.15 2j9tA1 ILE 150 HG13 -0.28 0.02 0.01 -0.04 1.21 0.91 2j9tA1 ILE 150 HG23 -0.07 -0.02 -0.16 -0.04 0.93 0.64 2j9tA1 ILE 150 HD13 -0.62 -0.01 -0.16 -0.04 0.88 0.04 2j9tA1 VAL 151 H -0.01 0.87 -0.05 -0.55 8.24 8.50 2j9tA1 VAL 151 HA -0.06 -0.01 0.43 -0.75 4.13 3.74 2j9tA1 VAL 151 HB -0.22 0.15 0.11 -0.04 2.12 2.12 2j9tA1 VAL 151 HG13 -0.37 -0.03 -0.11 -0.04 0.97 0.42 2j9tA1 VAL 151 HG23 -0.13 -0.01 0.01 -0.04 0.95 0.78 2j9tA1 GLU 152 H -0.04 0.58 -0.22 -0.55 8.60 8.37 2j9tA1 GLU 152 HA -0.01 -0.02 0.50 -0.75 4.29 4.00 2j9tA1 GLU 152 HB2 -0.02 0.16 0.18 -0.04 2.09 2.36 2j9tA1 GLU 152 HB3 -0.00 -0.07 0.02 -0.04 1.99 1.90 2j9tA1 GLU 152 HG2 -0.00 -0.05 0.08 -0.04 2.34 2.32 2j9tA1 GLU 152 HG3 -0.03 0.03 0.08 -0.04 2.34 2.38 2j9tA1 GLY 153 H -0.03 0.52 -0.14 -0.55 8.43 8.24 2j9tA1 GLY 153 HA2 0.01 0.01 0.42 -0.51 4.01 3.95 2j9tA1 GLY 153 HA3 -0.02 0.12 0.25 -0.51 4.01 3.85 2j9tA1 LEU 154 H -0.01 0.59 -0.11 -0.55 8.37 8.29 2j9tA1 LEU 154 HA 0.09 0.03 0.45 -0.75 4.35 4.17 2j9tA1 LEU 154 HB2 -0.02 0.22 0.13 -0.04 1.64 1.92 2j9tA1 LEU 154 HB3 -0.03 0.01 -0.02 -0.04 1.64 1.56 2j9tA1 LEU 154 HG 0.06 -0.07 0.06 -0.04 1.64 1.65 2j9tA1 LEU 154 HD13 -0.07 0.01 -0.05 -0.04 0.93 0.78 2j9tA1 LEU 154 HD23 -0.05 -0.00 -0.05 -0.04 0.89 0.75 2j9tA1 THR 155 H 0.04 0.46 -0.37 -0.55 8.28 7.85 2j9tA1 THR 155 HA 0.20 0.00 0.52 -0.75 4.39 4.35 2j9tA1 THR 155 HB 0.05 0.17 0.21 -0.04 4.32 4.72 2j9tA1 THR 155 HG23 0.18 -0.04 -0.08 -0.04 1.22 1.23 2j9tA1 LYS 156 H 0.09 0.51 -0.12 -0.55 8.42 8.35 2j9tA1 LYS 156 HA 0.07 -0.02 0.47 -0.75 4.32 4.08 2j9tA1 LYS 156 HB2 0.06 0.15 0.23 -0.04 1.87 2.26 2j9tA1 LYS 156 HB3 0.07 0.06 0.01 -0.04 1.79 1.89 2j9tA1 LYS 156 HG2 0.04 -0.00 0.04 -0.04 1.46 1.49 2j9tA1 LYS 156 HG3 0.04 -0.07 0.06 -0.04 1.46 1.45 2j9tA1 LYS 156 HD2 0.03 0.03 0.02 -0.04 1.69 1.73 2j9tA1 LYS 156 HD3 0.02 -0.01 0.01 -0.04 1.68 1.67 2j9tA1 LYS 156 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.93 2j9tA1 LYS 156 HE3 0.04 -0.00 0.00 -0.04 2.99 2.98 2j9tA1 TYR 157 H 0.21 0.47 -0.20 -0.55 8.29 8.21 2j9tA1 TYR 157 HA 0.03 0.06 0.50 -0.75 4.56 4.39 2j9tA1 TYR 157 HB2 0.02 0.05 0.15 -0.04 3.06 3.23 2j9tA1 TYR 157 HB3 0.02 0.11 0.24 -0.04 2.98 3.31 2j9tA1 TYR 157 HD2 0.01 0.05 0.05 -0.04 7.15 7.22 2j9tA1 TYR 157 HE2 -0.00 -0.03 -0.00 -0.04 6.85 6.78 2j9tA1 PHE 158 H 0.23 0.65 -0.05 -0.55 8.34 8.61 2j9tA1 PHE 158 HA -0.41 -0.01 0.38 -0.75 4.62 3.82 2j9tA1 PHE 158 HB2 -0.02 0.24 0.22 -0.04 3.15 3.55 2j9tA1 PHE 158 HB3 0.11 0.06 0.08 -0.04 3.06 3.26 2j9tA1 PHE 158 HD2 -0.18 -0.02 -0.03 -0.04 7.28 7.01 2j9tA1 PHE 158 HE2 -0.68 -0.03 -0.16 -0.04 7.38 6.47 2j9tA1 PHE 158 HZ -0.47 0.02 0.05 -0.04 7.32 6.88 2j9tA1 GLN 159 H -0.01 0.56 -0.33 -0.55 8.47 8.15 2j9tA1 GLN 159 HA -1.36 -0.01 0.47 -0.75 4.36 2.71 2j9tA1 GLN 159 HB2 -0.08 0.08 0.14 -0.04 2.15 2.25 2j9tA1 GLN 159 HB3 -0.10 0.15 0.14 -0.04 2.02 2.17 2j9tA1 GLN 159 HG2 -0.24 -0.03 -0.07 -0.04 2.40 2.02 2j9tA1 GLN 159 HG3 -0.40 -0.07 0.11 -0.04 2.39 1.98 2j9tA1 GLN 159 HE21 0.03 -0.03 -0.03 -0.04 6.97 6.90 2j9tA1 GLN 159 HE22 -0.02 0.12 -0.01 -0.04 7.69 7.74 2j9tA1 SER 160 H -0.10 0.52 -0.20 -0.55 8.46 8.13 2j9tA1 SER 160 HA -0.08 0.00 0.51 -0.75 4.49 4.17 2j9tA1 SER 160 HB2 0.00 0.17 0.23 -0.04 3.95 4.31 2j9tA1 SER 160 HB3 0.00 -0.07 0.02 -0.04 3.93 3.85 2j9tA1 VAL 161 H -0.17 0.55 -0.09 -0.55 8.24 7.97 2j9tA1 VAL 161 HA -0.05 0.02 0.52 -0.75 4.13 3.87 2j9tA1 VAL 161 HB -0.06 0.13 0.14 -0.04 2.12 2.28 2j9tA1 VAL 161 HG13 0.08 -0.01 -0.09 -0.04 0.97 0.91 2j9tA1 VAL 161 HG23 -0.26 0.03 0.02 -0.04 0.95 0.70 2j9tA1 ALA 162 H -0.20 0.46 -0.23 -0.55 8.40 7.88 2j9tA1 ALA 162 HA -0.24 0.06 0.36 -0.75 4.34 3.77 2j9tA1 ALA 162 HB3 -0.33 0.05 0.07 -0.04 1.41 1.17 2j9tA1 ASP 163 H -0.14 0.26 -0.62 -0.55 8.40 7.35 2j9tA1 ASP 163 HA -0.06 0.01 0.52 -0.75 4.63 4.34 2j9tA1 ASP 163 HB2 -0.09 0.14 0.21 -0.04 2.71 2.93 2j9tA1 ASP 163 HB3 -0.03 0.10 0.12 -0.04 2.70 2.85 2j9tA1 VAL 164 H -0.02 0.49 0.01 -0.55 8.24 8.17 2j9tA1 VAL 164 HA 0.04 -0.02 0.52 -0.75 4.13 3.91 2j9tA1 VAL 164 HB 0.07 -0.05 0.03 -0.04 2.12 2.13 2j9tA1 VAL 164 HG13 0.02 0.05 0.02 -0.04 0.97 1.01 2j9tA1 VAL 164 HG23 0.04 0.05 0.06 -0.04 0.95 1.06 2j9tA1 MET 165 H -0.02 0.55 -0.24 -0.55 8.47 8.21 2j9tA1 MET 165 HA 0.08 -0.00 0.31 -0.75 4.52 4.15 2j9tA1 MET 165 HB2 -0.13 0.11 0.13 -0.04 2.15 2.21 2j9tA1 MET 165 HB3 -0.12 0.04 -0.09 -0.04 2.03 1.82 2j9tA1 MET 165 HG2 -0.30 0.01 -0.06 -0.04 2.63 2.25 2j9tA1 MET 165 HG3 -0.09 -0.02 -0.05 -0.04 2.56 2.37 2j9tA1 MET 165 HE3 0.21 -0.00 -0.08 -0.04 2.10 2.18 2j9tA1 SER 166 H -0.01 0.25 -0.51 -0.55 8.46 7.64 2j9tA1 SER 166 HA 0.02 0.18 0.76 -0.75 4.49 4.70 2j9tA1 SER 166 HB2 0.01 0.01 0.07 -0.04 3.95 4.00 2j9tA1 SER 166 HB3 0.00 -0.18 0.21 -0.04 3.93 3.92 2j9tA1 LYS 167 H 0.04 0.66 0.18 -0.55 8.42 8.74 2j9tA1 LYS 167 HA 0.07 0.03 0.47 -0.75 4.32 4.14 2j9tA1 LYS 167 HB2 0.06 0.11 0.21 -0.04 1.87 2.21 2j9tA1 LYS 167 HB3 0.12 -0.04 -0.01 -0.04 1.79 1.82 2j9tA1 LYS 167 HG2 0.06 -0.03 0.05 -0.04 1.46 1.50 2j9tA1 LYS 167 HG3 0.04 -0.03 0.08 -0.04 1.46 1.50 2j9tA1 LYS 167 HD2 0.02 0.04 0.03 -0.04 1.69 1.74 2j9tA1 LYS 167 HD3 0.04 -0.01 -0.03 -0.04 1.68 1.64 2j9tA1 LYS 167 HE2 0.04 -0.02 0.01 -0.04 2.99 2.98 2j9tA1 LYS 167 HE3 0.02 -0.02 0.01 -0.04 2.99 2.96 2j9tA1 LEU 168 H 0.10 0.68 -0.06 -0.55 8.37 8.54 2j9tA1 LEU 168 HA 0.22 -0.04 0.32 -0.75 4.35 4.10 2j9tA1 LEU 168 HB2 0.09 -0.12 0.09 -0.04 1.64 1.66 2j9tA1 LEU 168 HB3 0.11 0.43 0.16 -0.04 1.64 2.30 2j9tA1 LEU 168 HG 0.13 -0.10 -0.17 -0.04 1.64 1.46 2j9tA1 LEU 168 HD13 0.21 -0.02 -0.14 -0.04 0.93 0.95 2j9tA1 LEU 168 HD23 0.13 0.06 -0.27 -0.04 0.89 0.77 2j9tA1 GLN 169 H 0.11 0.35 -0.85 -0.55 8.47 7.53 2j9tA1 GLN 169 HA 0.13 0.02 0.38 -0.75 4.36 4.15 2j9tA1 GLN 169 HB2 0.06 0.21 0.09 -0.04 2.15 2.47 2j9tA1 GLN 169 HB3 0.09 -0.09 0.15 -0.04 2.02 2.12 2j9tA1 GLN 169 HG2 0.10 -0.10 0.07 -0.04 2.40 2.43 2j9tA1 GLN 169 HG3 0.08 0.18 0.02 -0.04 2.39 2.63 2j9tA1 GLN 169 HE21 0.01 0.09 -0.25 -0.04 6.97 6.78 2j9tA1 GLN 169 HE22 0.03 0.41 0.06 -0.04 7.69 8.15 2j9tA1 ASP 170 H 0.09 0.62 -0.26 -0.55 8.40 8.30 2j9tA1 ASP 170 HA -0.08 0.09 0.56 -0.75 4.63 4.44 2j9tA1 ASP 170 HB2 -0.33 0.06 0.07 -0.04 2.71 2.47 2j9tA1 ASP 170 HB3 -0.33 -0.07 0.11 -0.04 2.70 2.37 2j9tA1 TYR 171 H 0.20 0.50 -0.31 -0.55 8.29 8.12 2j9tA1 TYR 171 HA -0.04 0.16 0.84 -0.75 4.56 4.76 2j9tA1 TYR 171 HB2 -0.04 0.15 0.10 -0.04 3.06 3.23 2j9tA1 TYR 171 HB3 -0.07 -0.21 0.25 -0.04 2.98 2.91 2j9tA1 TYR 171 HD2 -0.02 0.02 0.01 -0.04 7.15 7.12 2j9tA1 TYR 171 HE2 -0.01 0.01 -0.07 -0.04 6.85 6.73 2j9tA1 ILE 172 H 0.06 0.39 -0.35 -0.55 8.25 7.80 2j9tA1 ILE 172 HA -0.01 0.27 1.04 -0.75 4.18 4.72 2j9tA1 ILE 172 HB 0.15 0.03 0.16 -0.04 1.89 2.19 2j9tA1 ILE 172 HG12 0.03 -0.04 -0.03 -0.04 1.49 1.40 2j9tA1 ILE 172 HG13 0.05 -0.04 -0.41 -0.04 1.21 0.77 2j9tA1 ILE 172 HG23 0.15 -0.01 -0.16 -0.04 0.93 0.87 2j9tA1 ILE 172 HD13 0.26 0.00 -0.10 -0.04 0.88 0.99 2j9tA1 SER 173 H -0.06 0.61 0.28 -0.55 8.46 8.75 2j9tA1 SER 173 HA -0.16 0.17 0.80 -0.75 4.49 4.54 2j9tA1 SER 173 HB2 -0.29 -0.00 0.12 -0.04 3.95 3.74 2j9tA1 SER 173 HB3 -0.15 0.09 -0.15 -0.04 3.93 3.68 2j9tA1 ALA 174 H -0.75 0.16 0.17 -0.55 8.40 7.44 2j9tA1 ALA 174 HA -0.06 0.10 0.76 -0.75 4.34 4.39 2j9tA1 ALA 174 HB3 -0.18 0.02 0.08 -0.04 1.41 1.29 2j9tA1 LYS 175 H -0.05 0.46 0.20 -0.55 8.42 8.47 2j9tA1 LYS 175 HA -0.08 0.24 0.96 -0.75 4.32 4.68 2j9tA1 LYS 175 HB2 -0.05 -0.07 -0.11 -0.04 1.87 1.60 2j9tA1 LYS 175 HB3 -0.04 -0.03 -0.02 -0.04 1.79 1.66 2j9tA1 LYS 175 HG2 -0.09 0.03 -0.26 -0.04 1.46 1.10 2j9tA1 LYS 175 HG3 -0.07 -0.00 -0.13 -0.04 1.46 1.21 2j9tA1 LYS 175 HD2 -0.06 -0.01 -0.06 -0.04 1.69 1.52 2j9tA1 LYS 175 HD3 -0.05 -0.03 -0.05 -0.04 1.68 1.51 2j9tA1 LYS 175 HE2 -0.09 0.21 0.09 -0.04 2.99 3.16 2j9tA1 LYS 175 HE3 -0.09 -0.02 -0.06 -0.04 2.99 2.79 2j9tA1 ASP 176 H -0.02 -0.03 0.08 -0.55 8.40 7.89 2j9tA1 ASP 176 HA -0.02 0.22 0.50 -0.75 4.63 4.58 2j9tA1 ASP 176 HB2 0.00 -0.04 0.06 -0.04 2.71 2.69 2j9tA1 ASP 176 HB3 0.00 -0.26 0.21 -0.04 2.70 2.62 2j9tA1 ASP 177 H 0.00 0.13 0.15 -0.55 8.40 8.13 2j9tA1 ASP 177 HA 0.00 0.21 0.57 -0.75 4.63 4.65 2j9tA1 ASP 177 HB2 0.01 0.04 0.08 -0.04 2.71 2.80 2j9tA1 ASP 177 HB3 0.00 0.05 0.12 -0.04 2.70 2.84 2j9tA1 LYS 178 H 0.01 -0.08 -0.27 -0.55 8.42 7.52 2j9tA1 LYS 178 HA 0.03 0.20 0.42 -0.75 4.32 4.22 2j9tA1 LYS 178 HB2 0.02 -0.03 -0.17 -0.04 1.87 1.65 2j9tA1 LYS 178 HB3 0.03 -0.11 0.24 -0.04 1.79 1.91 2j9tA1 LYS 178 HG2 0.03 -0.11 0.07 -0.04 1.46 1.41 2j9tA1 LYS 178 HG3 0.03 0.15 0.24 -0.04 1.46 1.84 2j9tA1 LYS 178 HD2 0.02 -0.06 -0.11 -0.04 1.69 1.50 2j9tA1 LYS 178 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.59 2j9tA1 LYS 178 HE2 0.02 -0.09 -0.01 -0.04 2.99 2.87 2j9tA1 LYS 178 HE3 0.02 0.52 0.26 -0.04 2.99 3.76 2j9tA1 ASN 179 H 0.02 0.36 -0.02 -0.55 8.53 8.35 2j9tA1 ASN 179 HA 0.05 0.15 0.83 -0.75 4.76 5.03 2j9tA1 ASN 179 HB2 0.01 -0.21 -0.03 -0.04 2.88 2.60 2j9tA1 ASN 179 HB3 0.01 0.06 -0.09 -0.04 2.79 2.72 2j9tA1 ASN 179 HD21 0.06 -0.04 0.01 -0.04 7.03 7.01 2j9tA1 ASN 179 HD22 0.05 0.40 0.24 -0.04 7.74 8.39 2j9tA1 MET 180 H 0.06 1.05 0.35 -0.55 8.47 9.39 2j9tA1 MET 180 HA -0.06 0.22 1.13 -0.75 4.52 5.05 2j9tA1 MET 180 HB2 -0.13 -0.09 -0.13 -0.04 2.15 1.77 2j9tA1 MET 180 HB3 -0.08 -0.05 -0.03 -0.04 2.03 1.83 2j9tA1 MET 180 HG2 -1.10 0.01 -0.18 -0.04 2.63 1.32 2j9tA1 MET 180 HG3 -0.22 0.18 -0.07 -0.04 2.56 2.41 2j9tA1 MET 180 HE3 -0.17 0.05 -0.39 -0.04 2.10 1.55 2j9tA1 LYS 181 H -0.10 0.89 0.34 -0.55 8.42 9.00 2j9tA1 LYS 181 HA -0.15 0.23 1.09 -0.75 4.32 4.73 2j9tA1 LYS 181 HB2 -0.10 -0.07 -0.09 -0.04 1.87 1.57 2j9tA1 LYS 181 HB3 -0.11 -0.03 0.02 -0.04 1.79 1.63 2j9tA1 LYS 181 HG2 -0.12 0.15 -0.11 -0.04 1.46 1.34 2j9tA1 LYS 181 HG3 -0.09 -0.04 -0.10 -0.04 1.46 1.19 2j9tA1 LYS 181 HD2 -0.10 -0.01 -0.24 -0.04 1.69 1.30 2j9tA1 LYS 181 HD3 -0.12 -0.04 -0.26 -0.04 1.68 1.22 2j9tA1 LYS 181 HE2 -0.08 0.02 -0.07 -0.04 2.99 2.83 2j9tA1 LYS 181 HE3 -0.08 0.02 -0.08 -0.04 2.99 2.81 2j9tA1 ILE 182 H -0.31 0.82 0.29 -0.55 8.25 8.50 2j9tA1 ILE 182 HA -0.16 0.42 1.15 -0.75 4.18 4.83 2j9tA1 ILE 182 HB -0.28 0.02 -0.10 -0.04 1.89 1.49 2j9tA1 ILE 182 HG12 -0.51 -0.14 -0.29 -0.04 1.49 0.50 2j9tA1 ILE 182 HG13 -0.29 0.09 -0.11 -0.04 1.21 0.87 2j9tA1 ILE 182 HG23 -0.89 -0.02 -0.01 -0.04 0.93 -0.02 2j9tA1 ILE 182 HD13 -0.96 0.00 -0.07 -0.04 0.88 -0.19 2j9tA1 ASP 183 H -0.07 0.72 0.24 -0.55 8.40 8.75 2j9tA1 ASP 183 HA -0.13 -0.13 0.90 -0.75 4.63 4.51 2j9tA1 ASP 183 HB2 0.15 0.17 0.31 -0.04 2.71 3.29 2j9tA1 ASP 183 HB3 0.01 -0.16 0.26 -0.04 2.70 2.77 2j9tA1 GLY 184 H -0.27 0.51 -0.22 -0.55 8.43 7.90 2j9tA1 GLY 184 HA2 -0.21 -0.01 0.31 -0.51 4.01 3.60 2j9tA1 GLY 184 HA3 -0.22 0.60 0.31 -0.51 4.01 4.19 2j9tA1 GLY 185 H -0.12 -0.01 -0.31 -0.55 8.43 7.45 2j9tA1 GLY 185 HA2 -0.07 0.14 0.39 -0.51 4.01 3.97 2j9tA1 GLY 185 HA3 -0.08 -0.03 0.31 -0.51 4.01 3.71 2j9tA1 LYS 186 H -0.15 0.13 -0.12 -0.55 8.42 7.72 2j9tA1 LYS 186 HA -0.18 0.06 0.46 -0.75 4.32 3.91 2j9tA1 LYS 186 HB2 -0.64 0.12 0.12 -0.04 1.87 1.43 2j9tA1 LYS 186 HB3 -0.66 0.03 0.06 -0.04 1.79 1.17 2j9tA1 LYS 186 HG2 -0.07 -0.03 0.03 -0.04 1.46 1.35 2j9tA1 LYS 186 HG3 -0.03 -0.07 0.10 -0.04 1.46 1.42 2j9tA1 LYS 186 HD2 0.57 0.05 0.02 -0.04 1.69 2.28 2j9tA1 LYS 186 HD3 0.10 0.01 0.02 -0.04 1.68 1.77 2j9tA1 LYS 186 HE2 0.07 -0.01 0.02 -0.04 2.99 3.03 2j9tA1 LYS 186 HE3 0.14 -0.06 0.06 -0.04 2.99 3.09 2j9tA1 ILE 187 H -0.25 0.37 -0.18 -0.55 8.25 7.64 2j9tA1 ILE 187 HA -0.20 0.04 0.51 -0.75 4.18 3.78 2j9tA1 ILE 187 HB -0.09 0.10 0.13 -0.04 1.89 1.99 2j9tA1 ILE 187 HG12 -0.10 -0.04 0.05 -0.04 1.49 1.37 2j9tA1 ILE 187 HG13 -0.19 0.09 0.03 -0.04 1.21 1.10 2j9tA1 ILE 187 HG23 0.06 -0.01 -0.08 -0.04 0.93 0.86 2j9tA1 ILE 187 HD13 -0.03 0.01 -0.10 -0.04 0.88 0.71 2j9tA1 LYS 188 H -0.07 0.80 0.03 -0.55 8.42 8.62 2j9tA1 LYS 188 HA 0.04 0.01 0.46 -0.75 4.32 4.08 2j9tA1 LYS 188 HB2 -0.01 0.13 0.14 -0.04 1.87 2.09 2j9tA1 LYS 188 HB3 -0.03 0.06 0.18 -0.04 1.79 1.95 2j9tA1 LYS 188 HG2 0.01 -0.09 -0.11 -0.04 1.46 1.22 2j9tA1 LYS 188 HG3 0.04 0.10 0.09 -0.04 1.46 1.65 2j9tA1 LYS 188 HD2 -0.01 -0.05 -0.05 -0.04 1.69 1.55 2j9tA1 LYS 188 HD3 0.00 -0.07 -0.05 -0.04 1.68 1.52 2j9tA1 LYS 188 HE2 0.05 0.27 0.02 -0.04 2.99 3.29 2j9tA1 LYS 188 HE3 0.02 -0.03 -0.07 -0.04 2.99 2.86 2j9tA1 ALA 189 H -0.07 0.45 -0.28 -0.55 8.40 7.96 2j9tA1 ALA 189 HA -0.03 0.02 0.41 -0.75 4.34 3.98 2j9tA1 ALA 189 HB3 -0.06 0.04 0.09 -0.04 1.41 1.44 2j9tA1 LEU 190 H -0.07 0.36 -0.28 -0.55 8.37 7.83 2j9tA1 LEU 190 HA -0.03 0.05 0.57 -0.75 4.35 4.20 2j9tA1 LEU 190 HB2 -0.08 0.12 0.19 -0.04 1.64 1.83 2j9tA1 LEU 190 HB3 -0.01 0.05 0.11 -0.04 1.64 1.75 2j9tA1 LEU 190 HG 0.00 0.00 0.03 -0.04 1.64 1.63 2j9tA1 LEU 190 HD13 0.03 -0.01 -0.00 -0.04 0.93 0.90 2j9tA1 LEU 190 HD23 0.01 -0.01 0.08 -0.04 0.89 0.93 2j9tA1 ILE 191 H 0.02 0.58 -0.01 -0.55 8.25 8.29 2j9tA1 ILE 191 HA 0.04 0.01 0.49 -0.75 4.18 3.97 2j9tA1 ILE 191 HB 0.07 0.11 0.18 -0.04 1.89 2.21 2j9tA1 ILE 191 HG12 0.12 -0.05 0.02 -0.04 1.49 1.54 2j9tA1 ILE 191 HG13 0.12 -0.03 0.01 -0.04 1.21 1.27 2j9tA1 ILE 191 HG23 0.06 -0.02 -0.07 -0.04 0.93 0.87 2j9tA1 ILE 191 HD13 0.32 -0.00 -0.17 -0.04 0.88 0.99 2j9tA1 GLN 192 H -0.00 0.57 -0.17 -0.55 8.47 8.32 2j9tA1 GLN 192 HA -0.01 0.01 0.40 -0.75 4.36 4.00 2j9tA1 GLN 192 HB2 -0.01 0.08 0.11 -0.04 2.15 2.30 2j9tA1 GLN 192 HB3 -0.03 0.12 0.10 -0.04 2.02 2.18 2j9tA1 GLN 192 HG2 -0.02 -0.02 -0.01 -0.04 2.40 2.31 2j9tA1 GLN 192 HG3 -0.04 -0.01 -0.12 -0.04 2.39 2.17 2j9tA1 GLN 192 HE21 -0.01 0.00 0.00 -0.04 6.97 6.92 2j9tA1 GLN 192 HE22 -0.03 -0.02 0.05 -0.04 7.69 7.64 2j9tA1 GLN 193 H -0.05 0.32 -0.42 -0.55 8.47 7.78 2j9tA1 GLN 193 HA -0.24 0.02 0.46 -0.75 4.36 3.85 2j9tA1 GLN 193 HB2 -0.07 0.02 0.14 -0.04 2.15 2.19 2j9tA1 GLN 193 HB3 -0.05 0.18 0.23 -0.04 2.02 2.33 2j9tA1 GLN 193 HG2 -0.00 0.00 -0.12 -0.04 2.40 2.24 2j9tA1 GLN 193 HG3 -0.23 -0.05 -0.07 -0.04 2.39 2.00 2j9tA1 GLN 193 HE21 0.15 -0.03 -0.01 -0.04 6.97 7.04 2j9tA1 GLN 193 HE22 0.34 0.01 -0.03 -0.04 7.69 7.96 2j9tA1 VAL 194 H -0.03 0.44 -0.13 -0.55 8.24 7.97 2j9tA1 VAL 194 HA 0.01 0.02 0.35 -0.75 4.13 3.75 2j9tA1 VAL 194 HB 0.02 0.13 0.15 -0.04 2.12 2.39 2j9tA1 VAL 194 HG13 0.06 -0.02 -0.14 -0.04 0.97 0.83 2j9tA1 VAL 194 HG23 0.01 0.04 0.04 -0.04 0.95 1.00 2j9tA1 ILE 195 H -0.02 0.40 -0.31 -0.55 8.25 7.77 2j9tA1 ILE 195 HA 0.03 0.00 0.44 -0.75 4.18 3.90 2j9tA1 ILE 195 HB -0.01 0.15 0.15 -0.04 1.89 2.13 2j9tA1 ILE 195 HG12 0.04 -0.10 -0.00 -0.04 1.49 1.38 2j9tA1 ILE 195 HG13 0.03 0.17 0.03 -0.04 1.21 1.41 2j9tA1 ILE 195 HG23 0.00 -0.02 -0.11 -0.04 0.93 0.76 2j9tA1 ILE 195 HD13 0.02 -0.02 -0.19 -0.04 0.88 0.65 2j9tA1 ASP 196 H -0.12 0.52 -0.08 -0.55 8.40 8.17 2j9tA1 ASP 196 HA -0.02 -0.02 0.40 -0.75 4.63 4.23 2j9tA1 ASP 196 HB2 -0.47 0.10 0.17 -0.04 2.71 2.48 2j9tA1 ASP 196 HB3 -0.10 -0.07 0.01 -0.04 2.70 2.50 2j9tA1 HIS 197 H -0.11 0.40 -0.34 -0.55 8.41 7.81 2j9tA1 HIS 197 HA 0.01 0.17 0.85 -0.75 4.63 4.91 2j9tA1 HIS 197 HB2 0.02 0.02 0.04 -0.04 3.26 3.31 2j9tA1 HIS 197 HB3 0.01 -0.07 0.14 -0.04 3.20 3.23 2j9tA1 HIS 197 HD2 0.01 -0.05 -0.04 -0.04 6.97 6.85 2j9tA1 HIS 197 HE1 0.01 -0.04 -0.06 -0.04 7.75 7.61 2j9tA1 LEU 198 H 0.06 0.31 -0.35 -0.55 8.37 7.84 2j9tA1 LEU 198 HA 0.09 -0.01 0.41 -0.75 4.35 4.08 2j9tA1 LEU 198 HB2 0.01 0.04 0.13 -0.04 1.64 1.78 2j9tA1 LEU 198 HB3 -0.02 -0.00 0.04 -0.04 1.64 1.61 2j9tA1 LEU 198 HG 0.06 0.15 0.20 -0.04 1.64 2.01 2j9tA1 LEU 198 HD13 -0.03 -0.02 0.03 -0.04 0.93 0.87 2j9tA1 LEU 198 HD23 0.12 -0.04 0.05 -0.04 0.89 0.98 2j9tA1 PRO 199 HA 0.01 0.09 0.56 -0.51 4.44 4.59 2j9tA1 PRO 199 HB2 0.00 -0.02 -0.01 -0.04 2.28 2.20 2j9tA1 PRO 199 HB3 0.03 0.01 0.14 -0.04 2.02 2.15 2j9tA1 PRO 199 HG2 0.02 -0.02 0.07 -0.04 2.03 2.05 2j9tA1 PRO 199 HG3 0.08 0.02 0.11 -0.04 2.03 2.19 2j9tA1 PRO 199 HD2 0.08 0.03 0.25 -0.04 3.68 4.00 2j9tA1 PRO 199 HD3 0.09 0.18 0.15 -0.04 3.65 4.03 2j9tA1 THR 200 H -0.02 0.18 0.21 -0.55 8.28 8.11 2j9tA1 THR 200 HA -0.04 0.22 0.95 -0.75 4.39 4.76 2j9tA1 THR 200 HB -0.02 0.06 -0.04 -0.04 4.32 4.28 2j9tA1 THR 200 HG23 -0.03 -0.03 -0.14 -0.04 1.22 0.99 2j9tA1 MET 201 H -0.07 0.73 0.28 -0.55 8.47 8.87 2j9tA1 MET 201 HA -0.06 0.17 1.11 -0.75 4.52 4.98 2j9tA1 MET 201 HB2 -0.11 -0.03 0.09 -0.04 2.15 2.06 2j9tA1 MET 201 HB3 -0.11 0.02 -0.14 -0.04 2.03 1.76 2j9tA1 MET 201 HG2 -0.07 0.19 -0.07 -0.04 2.63 2.64 2j9tA1 MET 201 HG3 -0.05 -0.01 -0.46 -0.04 2.56 2.00 2j9tA1 MET 201 HE3 -0.07 0.08 -0.23 -0.04 2.10 1.84 2j9tA1 GLN 202 H -0.07 0.18 0.15 -0.55 8.47 8.19 2j9tA1 GLN 202 HA -0.09 0.15 0.80 -0.75 4.36 4.47 2j9tA1 GLN 202 HB2 -0.05 -0.05 -0.00 -0.04 2.15 2.00 2j9tA1 GLN 202 HB3 -0.06 -0.04 0.13 -0.04 2.02 2.01 2j9tA1 GLN 202 HG2 -0.04 -0.09 -0.06 -0.04 2.40 2.17 2j9tA1 GLN 202 HG3 -0.06 0.31 -0.32 -0.04 2.39 2.27 2j9tA1 GLN 202 HE21 -0.04 0.30 0.13 -0.04 6.97 7.32 2j9tA1 GLN 202 HE22 -0.06 0.33 0.00 -0.04 7.69 7.92 2j9tA1 LEU 203 H -0.13 0.71 0.35 -0.55 8.37 8.75 2j9tA1 LEU 203 HA -0.27 0.05 0.50 -0.75 4.35 3.88 2j9tA1 LEU 203 HB2 -0.16 -0.04 0.15 -0.04 1.64 1.55 2j9tA1 LEU 203 HB3 -0.27 0.04 0.04 -0.04 1.64 1.41 2j9tA1 LEU 203 HG -0.31 0.06 0.01 -0.04 1.64 1.36 2j9tA1 LEU 203 HD13 -0.23 -0.05 -0.09 -0.04 0.93 0.52 2j9tA1 LEU 203 HD23 -1.01 -0.01 -0.03 -0.04 0.89 -0.20 2j9tA1 PRO 204 HA -0.04 0.04 0.41 -0.51 4.44 4.33 2j9tA1 PRO 204 HB2 0.01 0.13 -0.05 -0.04 2.28 2.33 2j9tA1 PRO 204 HB3 -0.02 -0.00 0.10 -0.04 2.02 2.05 2j9tA1 PRO 204 HG2 -0.00 -0.01 -0.02 -0.04 2.03 1.95 2j9tA1 PRO 204 HG3 -0.03 0.20 0.13 -0.04 2.03 2.30 2j9tA1 PRO 204 HD2 -0.34 0.01 0.19 -0.04 3.68 3.50 2j9tA1 PRO 204 HD3 -0.20 0.15 0.11 -0.04 3.65 3.67 2j9tA1 LYS 205 H -0.01 0.07 0.12 -0.55 8.42 8.04 2j9tA1 LYS 205 HA -0.00 0.01 0.38 -0.75 4.32 3.96 2j9tA1 LYS 205 HB2 0.00 0.00 0.16 -0.04 1.87 1.99 2j9tA1 LYS 205 HB3 0.01 0.02 -0.04 -0.04 1.79 1.74 2j9tA1 LYS 205 HG2 0.00 -0.02 0.03 -0.04 1.46 1.43 2j9tA1 LYS 205 HG3 -0.00 0.03 0.06 -0.04 1.46 1.51 2j9tA1 LYS 205 HD2 -0.00 -0.01 0.02 -0.04 1.69 1.66 2j9tA1 LYS 205 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 2j9tA1 LYS 205 HE2 0.00 0.00 0.07 -0.04 2.99 3.02 2j9tA1 LYS 205 HE3 -0.00 0.00 0.02 -0.04 2.99 2.97 2j9tA1 GLY 206 H 0.02 0.07 0.14 -0.55 8.43 8.11 2j9tA1 GLY 206 HA2 0.03 -0.04 0.36 -0.51 4.01 3.85 2j9tA1 GLY 206 HA3 0.03 0.05 0.40 -0.51 4.01 3.98 2j9tA1 ALA 207 H 0.06 0.16 0.08 -0.55 8.40 8.16 2j9tA1 ALA 207 HA 0.19 0.16 0.76 -0.75 4.34 4.69 2j9tA1 ALA 207 HB3 0.16 0.04 -0.12 -0.04 1.41 1.45 2j9tA1 ASP 208 H 0.18 0.22 0.05 -0.55 8.40 8.30 2j9tA1 ASP 208 HA 0.08 0.08 0.49 -0.75 4.63 4.52 2j9tA1 ASP 208 HB2 0.02 0.12 0.15 -0.04 2.71 2.96 2j9tA1 ASP 208 HB3 -0.05 -0.04 0.23 -0.04 2.70 2.80 2j9tA1 ILE 209 H 0.11 0.37 0.36 -0.55 8.25 8.54 2j9tA1 ILE 209 HA 0.21 0.07 0.27 -0.75 4.18 3.98 2j9tA1 ILE 209 HB 0.06 -0.05 0.09 -0.04 1.89 1.94 2j9tA1 ILE 209 HG12 0.08 0.09 0.09 -0.04 1.49 1.70 2j9tA1 ILE 209 HG13 0.05 0.01 0.15 -0.04 1.21 1.37 2j9tA1 ILE 209 HG23 0.05 0.01 -0.15 -0.04 0.93 0.79 2j9tA1 ILE 209 HD13 0.01 -0.01 -0.02 -0.04 0.88 0.82 2j9tA1 ALA 210 H 0.06 0.06 -0.24 -0.55 8.40 7.73 2j9tA1 ALA 210 HA 0.04 0.11 0.37 -0.75 4.34 4.10 2j9tA1 ALA 210 HB3 0.01 0.01 0.04 -0.04 1.41 1.44 2j9tA1 ARG 211 H -0.01 0.08 -0.17 -0.55 8.46 7.80 2j9tA1 ARG 211 HA -0.08 0.06 0.40 -0.75 4.34 3.96 2j9tA1 ARG 211 HB2 -0.20 0.03 0.08 -0.04 1.90 1.76 2j9tA1 ARG 211 HB3 -0.12 -0.07 0.13 -0.04 1.80 1.70 2j9tA1 ARG 211 HG2 -0.34 -0.09 0.06 -0.04 1.67 1.26 2j9tA1 ARG 211 HG3 -0.62 0.08 -0.05 -0.04 1.67 1.04 2j9tA1 ARG 211 HD2 -0.95 -0.01 -0.29 -0.04 3.22 1.93 2j9tA1 ARG 211 HD3 -0.42 -0.00 -0.06 -0.04 3.22 2.70 2j9tA1 TRP 212 H 0.11 0.50 -0.20 -0.55 7.97 7.83 2j9tA1 TRP 212 HA -0.03 0.03 0.41 -0.75 4.62 4.28 2j9tA1 TRP 212 HB2 -0.03 0.08 0.00 -0.04 3.23 3.24 2j9tA1 TRP 212 HB3 -0.06 -0.00 -0.05 -0.04 3.23 3.08 2j9tA1 TRP 212 HD1 -0.02 0.00 -0.43 -0.04 7.22 6.73 2j9tA1 TRP 212 HE1 -0.01 -0.03 -0.08 -0.04 10.20 10.05 2j9tA1 TRP 212 HE3 -0.16 -0.03 -0.01 -0.04 7.59 7.35 2j9tA1 TRP 212 HZ2 0.01 0.02 -0.08 -0.04 7.44 7.35 2j9tA1 TRP 212 HZ3 -0.82 0.02 -0.07 -0.04 7.13 6.23 2j9tA1 TRP 212 HH2 -0.02 0.02 0.02 -0.04 7.19 7.17 2j9tA1 ARG 213 H 0.12 0.40 -0.35 -0.55 8.46 8.08 2j9tA1 ARG 213 HA 0.08 0.04 0.41 -0.75 4.34 4.12 2j9tA1 ARG 213 HB2 0.04 0.18 0.20 -0.04 1.90 2.28 2j9tA1 ARG 213 HB3 0.03 -0.03 0.00 -0.04 1.80 1.76 2j9tA1 ARG 213 HG2 0.05 -0.09 0.02 -0.04 1.67 1.60 2j9tA1 ARG 213 HG3 0.07 0.31 0.05 -0.04 1.67 2.07 2j9tA1 ARG 213 HD2 0.03 -0.06 -0.03 -0.04 3.22 3.12 2j9tA1 ARG 213 HD3 0.02 -0.01 0.01 -0.04 3.22 3.20 2j9tA1 LYS 214 H 0.02 0.33 -0.12 -0.55 8.42 8.10 2j9tA1 LYS 214 HA 0.01 0.03 0.43 -0.75 4.32 4.04 2j9tA1 LYS 214 HB2 -0.03 0.09 0.13 -0.04 1.87 2.02 2j9tA1 LYS 214 HB3 -0.02 -0.03 0.04 -0.04 1.79 1.74 2j9tA1 LYS 214 HG2 -0.01 0.13 0.06 -0.04 1.46 1.61 2j9tA1 LYS 214 HG3 -0.02 -0.05 0.01 -0.04 1.46 1.36 2j9tA1 LYS 214 HD2 0.00 0.03 -0.07 -0.04 1.69 1.61 2j9tA1 LYS 214 HD3 0.00 -0.03 -0.03 -0.04 1.68 1.58 2j9tA1 LYS 214 HE2 -0.01 0.01 0.01 -0.04 2.99 2.97 2j9tA1 LYS 214 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 2j9tA1 GLU 215 H 0.00 0.34 -0.25 -0.55 8.60 8.15 2j9tA1 GLU 215 HA 0.01 0.01 0.34 -0.75 4.29 3.90 2j9tA1 GLU 215 HB2 -0.01 -0.01 0.20 -0.04 2.09 2.23 2j9tA1 GLU 215 HB3 0.13 -0.01 -0.08 -0.04 1.99 1.99 2j9tA1 GLU 215 HG2 -0.09 -0.02 -0.01 -0.04 2.34 2.18 2j9tA1 GLU 215 HG3 -0.36 -0.02 -0.07 -0.04 2.34 1.86 2j9tA1 LEU 216 H 0.14 0.65 -0.02 -0.55 8.37 8.59 2j9tA1 LEU 216 HA 0.11 0.02 0.43 -0.75 4.35 4.16 2j9tA1 LEU 216 HB2 0.07 0.09 0.01 -0.04 1.64 1.76 2j9tA1 LEU 216 HB3 0.04 -0.08 -0.02 -0.04 1.64 1.54 2j9tA1 LEU 216 HG 0.28 0.14 0.08 -0.04 1.64 2.10 2j9tA1 LEU 216 HD13 -0.05 -0.02 -0.09 -0.04 0.93 0.72 2j9tA1 LEU 216 HD23 0.07 -0.02 -0.09 -0.04 0.89 0.81 2j9tA1 GLY 217 H 0.04 0.32 -0.29 -0.55 8.43 7.96 2j9tA1 GLY 217 HA2 0.02 0.07 0.26 -0.51 4.01 3.85 2j9tA1 GLY 217 HA3 0.02 0.06 0.61 -0.51 4.01 4.19 2j9tA1 ASP 218 H 0.00 0.11 0.19 -0.55 8.40 8.15 2j9tA1 ASP 218 HA -0.00 0.17 0.51 -0.75 4.63 4.56 2j9tA1 ASP 218 HB2 -0.00 -0.03 0.16 -0.04 2.71 2.80 2j9tA1 ASP 218 HB3 -0.00 0.00 -0.03 -0.04 2.70 2.63 2j9tA1 ALA 219 H -0.01 0.10 0.01 -0.55 8.40 7.95 2j9tA1 ALA 219 HA -0.02 0.00 0.44 -0.75 4.34 4.01 2j9tA1 ALA 219 HB3 -0.02 0.01 0.11 -0.04 1.41 1.48 2j9tA1 VAL 220 H -0.02 0.23 -0.86 -0.55 8.24 7.04 2j9tA1 VAL 220 HA -0.07 0.15 0.97 -0.75 4.13 4.43 2j9tA1 VAL 220 HB -0.03 -0.04 -0.22 -0.04 2.12 1.80 2j9tA1 VAL 220 HG13 -0.03 -0.02 -0.18 -0.04 0.97 0.71 2j9tA1 VAL 220 HG23 -0.08 0.06 -0.11 -0.04 0.95 0.78 2j9tA1 SER 221 H -0.05 0.47 0.33 -0.55 8.46 8.67 2j9tA1 SER 221 HA -0.01 0.17 0.72 -0.75 4.49 4.62 2j9tA1 SER 221 HB2 -0.03 -0.01 -0.05 -0.04 3.95 3.82 2j9tA1 SER 221 HB3 -0.02 -0.04 -0.07 -0.04 3.93 3.76 2j9tA1 ILE 222 H -0.00 0.21 0.13 -0.55 8.25 8.03 2j9tA1 ILE 222 HA -0.03 0.34 1.04 -0.75 4.18 4.78 2j9tA1 ILE 222 HB 0.03 -0.02 -0.02 -0.04 1.89 1.84 2j9tA1 ILE 222 HG12 -0.03 0.09 -0.36 -0.04 1.49 1.16 2j9tA1 ILE 222 HG13 0.02 -0.06 -0.41 -0.04 1.21 0.71 2j9tA1 ILE 222 HG23 -0.03 0.04 -0.25 -0.04 0.93 0.65 2j9tA1 ILE 222 HD13 0.09 0.03 -0.30 -0.04 0.88 0.66 2j9tA1 SER 223 H -0.02 0.61 0.20 -0.55 8.46 8.70 2j9tA1 SER 223 HA -0.01 0.14 0.55 -0.75 4.49 4.42 2j9tA1 SER 223 HB2 -0.02 -0.20 0.17 -0.04 3.95 3.86 2j9tA1 SER 223 HB3 -0.01 -0.13 0.12 -0.04 3.93 3.86 2j9tA1 ASP 224 H -0.00 0.21 0.20 -0.55 8.40 8.26 2j9tA1 ASP 224 HA 0.01 0.11 0.43 -0.75 4.63 4.42 2j9tA1 ASP 224 HB2 0.00 0.00 0.12 -0.04 2.71 2.79 2j9tA1 ASP 224 HB3 0.01 0.04 0.13 -0.04 2.70 2.83 2j9tA1 SER 225 H -0.01 -0.05 -0.47 -0.55 8.46 7.39 2j9tA1 SER 225 HA -0.01 0.20 0.61 -0.75 4.49 4.53 2j9tA1 SER 225 HB2 -0.02 0.04 0.01 -0.04 3.95 3.95 2j9tA1 SER 225 HB3 -0.01 0.06 0.07 -0.04 3.93 4.01 2j9tA1 GLY 226 H -0.01 0.56 -0.41 -0.55 8.43 8.02 2j9tA1 GLY 226 HA2 -0.04 0.04 0.23 -0.51 4.01 3.74 2j9tA1 GLY 226 HA3 -0.04 0.14 0.49 -0.51 4.01 4.09 2j9tA1 VAL 227 H -0.04 -0.08 -0.15 -0.55 8.24 7.42 2j9tA1 VAL 227 HA -0.07 0.31 0.85 -0.75 4.13 4.46 2j9tA1 VAL 227 HB -0.03 -0.14 0.08 -0.04 2.12 1.99 2j9tA1 VAL 227 HG13 -0.04 0.02 -0.26 -0.04 0.97 0.65 2j9tA1 VAL 227 HG23 -0.03 0.01 -0.18 -0.04 0.95 0.70 2j9tA1 VAL 228 H -0.09 1.03 0.44 -0.55 8.24 9.07 2j9tA1 VAL 228 HA -0.06 0.34 1.11 -0.75 4.13 4.77 2j9tA1 VAL 228 HB -0.10 -0.05 0.01 -0.04 2.12 1.94 2j9tA1 VAL 228 HG13 -0.17 -0.03 0.07 -0.04 0.97 0.81 2j9tA1 VAL 228 HG23 -0.09 -0.02 -0.11 -0.04 0.95 0.69 2j9tA1 THR 229 H -0.06 0.56 0.39 -0.55 8.28 8.63 2j9tA1 THR 229 HA -0.07 0.22 1.00 -0.75 4.39 4.79 2j9tA1 THR 229 HB -0.05 0.08 0.04 -0.04 4.32 4.35 2j9tA1 THR 229 HG23 -0.04 0.02 -0.20 -0.04 1.22 0.96 2j9tA1 ILE 230 H -0.11 0.27 0.16 -0.55 8.25 8.02 2j9tA1 ILE 230 HA -0.18 0.17 0.90 -0.75 4.18 4.31 2j9tA1 ILE 230 HB -0.29 0.03 0.14 -0.04 1.89 1.74 2j9tA1 ILE 230 HG12 -0.35 -0.01 -0.03 -0.04 1.49 1.05 2j9tA1 ILE 230 HG13 -0.18 -0.06 -0.20 -0.04 1.21 0.73 2j9tA1 ILE 230 HG23 -0.94 0.01 -0.09 -0.04 0.93 -0.13 2j9tA1 ILE 230 HD13 -0.18 0.03 -0.05 -0.04 0.88 0.64 2j9tA1 ASN 231 H -0.12 0.53 0.26 -0.55 8.53 8.65 2j9tA1 ASN 231 HA -0.05 0.08 0.45 -0.75 4.76 4.48 2j9tA1 ASN 231 HB2 -0.05 0.10 0.17 -0.04 2.88 3.07 2j9tA1 ASN 231 HB3 -0.03 -0.23 0.02 -0.04 2.79 2.52 2j9tA1 ASN 231 HD21 -0.02 0.06 -0.02 -0.04 7.03 7.01 2j9tA1 ASN 231 HD22 -0.02 -0.14 0.01 -0.04 7.74 7.55 2j9tA1 PRO 232 HA 0.02 0.13 0.55 -0.51 4.44 4.62 2j9tA1 PRO 232 HB2 0.01 -0.04 0.09 -0.04 2.28 2.29 2j9tA1 PRO 232 HB3 -0.00 0.16 0.11 -0.04 2.02 2.25 2j9tA1 PRO 232 HG2 -0.00 -0.01 -0.06 -0.04 2.03 1.92 2j9tA1 PRO 232 HG3 -0.01 0.09 0.05 -0.04 2.03 2.12 2j9tA1 PRO 232 HD2 -0.02 0.03 0.19 -0.04 3.68 3.84 2j9tA1 PRO 232 HD3 -0.03 0.30 0.27 -0.04 3.65 4.15 2j9tA1 ASP 233 H -0.01 0.14 -0.43 -0.55 8.40 7.56 2j9tA1 ASP 233 HA 0.01 0.07 0.32 -0.75 4.63 4.28 2j9tA1 ASP 233 HB2 0.00 0.01 0.01 -0.04 2.71 2.69 2j9tA1 ASP 233 HB3 0.00 0.03 -0.00 -0.04 2.70 2.69 2j9tA1 LYS 234 H 0.03 0.20 -0.19 -0.55 8.42 7.91 2j9tA1 LYS 234 HA -0.00 0.10 0.53 -0.75 4.32 4.19 2j9tA1 LYS 234 HB2 0.06 0.04 0.06 -0.04 1.87 1.99 2j9tA1 LYS 234 HB3 -0.00 0.05 -0.04 -0.04 1.79 1.76 2j9tA1 LYS 234 HG2 -0.00 0.04 0.03 -0.04 1.46 1.49 2j9tA1 LYS 234 HG3 0.01 -0.06 -0.04 -0.04 1.46 1.33 2j9tA1 LYS 234 HD2 0.06 0.03 -0.01 -0.04 1.69 1.73 2j9tA1 LYS 234 HD3 0.04 0.01 -0.18 -0.04 1.68 1.51 2j9tA1 LYS 234 HE2 0.02 0.05 -0.09 -0.04 2.99 2.93 2j9tA1 LYS 234 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 2j9tA1 LEU 235 H 0.06 0.16 -0.15 -0.55 8.37 7.88 2j9tA1 LEU 235 HA 0.00 0.05 0.43 -0.75 4.35 4.09 2j9tA1 LEU 235 HB2 0.06 0.08 0.12 -0.04 1.64 1.86 2j9tA1 LEU 235 HB3 0.05 0.04 0.00 -0.04 1.64 1.69 2j9tA1 LEU 235 HG 0.18 -0.04 0.02 -0.04 1.64 1.77 2j9tA1 LEU 235 HD13 0.18 0.02 -0.07 -0.04 0.93 1.02 2j9tA1 LEU 235 HD23 0.03 -0.00 -0.00 -0.04 0.89 0.87 2j9tA1 ILE 236 H 0.02 0.53 -0.30 -0.55 8.25 7.96 2j9tA1 ILE 236 HA 0.04 0.04 0.45 -0.75 4.18 3.96 2j9tA1 ILE 236 HB 0.02 0.13 0.10 -0.04 1.89 2.10 2j9tA1 ILE 236 HG12 0.02 -0.02 -0.02 -0.04 1.49 1.42 2j9tA1 ILE 236 HG13 0.02 -0.02 -0.04 -0.04 1.21 1.13 2j9tA1 ILE 236 HG23 0.03 -0.01 -0.17 -0.04 0.93 0.74 2j9tA1 ILE 236 HD13 0.01 -0.02 -0.21 -0.04 0.88 0.61 2j9tA1 LYS 237 H 0.01 0.43 -0.06 -0.55 8.42 8.25 2j9tA1 LYS 237 HA 0.04 0.03 0.36 -0.75 4.32 3.99 2j9tA1 LYS 237 HB2 -0.01 0.08 0.20 -0.04 1.87 2.09 2j9tA1 LYS 237 HB3 0.00 -0.01 -0.00 -0.04 1.79 1.74 2j9tA1 LYS 237 HG2 0.01 -0.00 0.08 -0.04 1.46 1.51 2j9tA1 LYS 237 HG3 0.00 -0.03 0.03 -0.04 1.46 1.42 2j9tA1 LYS 237 HD2 0.01 0.00 -0.00 -0.04 1.69 1.66 2j9tA1 LYS 237 HD3 0.02 -0.00 0.00 -0.04 1.68 1.66 2j9tA1 LYS 237 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.92 2j9tA1 LYS 237 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 2j9tA1 MET 238 H -0.02 0.49 -0.28 -0.55 8.47 8.11 2j9tA1 MET 238 HA 0.04 0.02 0.37 -0.75 4.52 4.19 2j9tA1 MET 238 HB2 -0.07 0.09 0.14 -0.04 2.15 2.27 2j9tA1 MET 238 HB3 -0.21 -0.04 -0.02 -0.04 2.03 1.72 2j9tA1 MET 238 HG2 -0.80 -0.02 0.06 -0.04 2.63 1.82 2j9tA1 MET 238 HG3 -0.24 0.14 0.06 -0.04 2.56 2.49 2j9tA1 MET 238 HE3 -0.69 -0.01 -0.03 -0.04 2.10 1.33 2j9tA1 ARG 239 H 0.09 0.55 -0.13 -0.55 8.46 8.41 2j9tA1 ARG 239 HA 0.17 -0.03 0.46 -0.75 4.34 4.20 2j9tA1 ARG 239 HB2 0.07 -0.05 0.10 -0.04 1.90 1.98 2j9tA1 ARG 239 HB3 0.06 0.10 0.21 -0.04 1.80 2.13 2j9tA1 ARG 239 HG2 0.06 -0.05 -0.02 -0.04 1.67 1.62 2j9tA1 ARG 239 HG3 0.04 -0.02 0.01 -0.04 1.67 1.65 2j9tA1 ARG 239 HD2 0.05 0.11 -0.13 -0.04 3.22 3.21 2j9tA1 ARG 239 HD3 0.04 -0.04 -0.15 -0.04 3.22 3.03 2j9tA1 ASP 240 H 0.10 0.67 -0.17 -0.55 8.40 8.45 2j9tA1 ASP 240 HA 0.09 0.03 0.45 -0.75 4.63 4.45 2j9tA1 ASP 240 HB2 0.07 0.09 0.07 -0.04 2.71 2.90 2j9tA1 ASP 240 HB3 0.07 -0.06 0.08 -0.04 2.70 2.75 2j9tA1 SER 241 H 0.24 0.28 -0.64 -0.55 8.46 7.79 2j9tA1 SER 241 HA 0.24 0.08 0.69 -0.75 4.49 4.73 2j9tA1 SER 241 HB2 0.42 -0.13 0.07 -0.04 3.95 4.27 2j9tA1 SER 241 HB3 0.25 0.11 0.06 -0.04 3.93 4.31 2j9tA1 LEU 242 H 0.24 0.24 -0.14 -0.55 8.37 8.16 2j9tA1 LEU 242 HA 0.05 0.01 0.43 -0.75 4.35 4.08 2j9tA1 LEU 242 HB2 0.08 0.14 0.13 -0.04 1.64 1.94 2j9tA1 LEU 242 HB3 -0.05 -0.01 0.05 -0.04 1.64 1.59 2j9tA1 LEU 242 HG 0.02 -0.09 0.07 -0.04 1.64 1.59 2j9tA1 LEU 242 HD13 0.14 -0.03 -0.04 -0.04 0.93 0.97 2j9tA1 LEU 242 HD23 0.29 0.05 0.07 -0.04 0.89 1.26 2j9tA1 PRO 243 HA -0.01 0.19 0.69 -0.51 4.44 4.80 2j9tA1 PRO 243 HB2 -0.38 0.06 0.14 -0.04 2.28 2.06 2j9tA1 PRO 243 HB3 -0.07 0.02 0.10 -0.04 2.02 2.04 2j9tA1 PRO 243 HG2 -0.68 -0.03 0.05 -0.04 2.03 1.32 2j9tA1 PRO 243 HG3 -1.72 0.00 0.05 -0.04 2.03 0.32 2j9tA1 PRO 243 HD2 -0.47 0.01 0.22 -0.04 3.68 3.39 2j9tA1 PRO 243 HD3 -0.22 0.27 0.15 -0.04 3.65 3.80 2j9tA1 PRO 244 HA -0.08 0.04 0.49 -0.51 4.44 4.39 2j9tA1 PRO 244 HB2 -0.07 0.12 0.07 -0.04 2.28 2.37 2j9tA1 PRO 244 HB3 -0.04 0.04 0.13 -0.04 2.02 2.11 2j9tA1 PRO 244 HG2 -0.09 0.03 0.06 -0.04 2.03 1.99 2j9tA1 PRO 244 HG3 -0.03 0.05 0.09 -0.04 2.03 2.10 2j9tA1 PRO 244 HD2 -0.07 0.08 0.25 -0.04 3.68 3.90 2j9tA1 PRO 244 HD3 -0.02 0.20 0.17 -0.04 3.65 3.96 2j9tA1 ASP 245 H -0.08 0.13 0.21 -0.55 8.40 8.12 2j9tA1 ASP 245 HA -0.13 -0.11 0.62 -0.75 4.63 4.26 2j9tA1 ASP 245 HB2 -0.06 0.06 0.18 -0.04 2.71 2.84 2j9tA1 ASP 245 HB3 -0.06 0.11 0.04 -0.04 2.70 2.75 2j9tA1 GLY 246 H -0.11 0.10 0.19 -0.55 8.43 8.06 2j9tA1 GLY 246 HA2 -0.10 0.01 0.29 -0.51 4.01 3.70 2j9tA1 GLY 246 HA3 -0.08 0.08 0.44 -0.51 4.01 3.94 2j9tA1 THR 247 H -0.23 0.24 -0.26 -0.55 8.28 7.48 2j9tA1 THR 247 HA -0.22 0.01 0.44 -0.75 4.39 3.87 2j9tA1 THR 247 HB -0.62 0.10 0.20 -0.04 4.32 3.96 2j9tA1 THR 247 HG23 -0.96 -0.03 -0.11 -0.04 1.22 0.07 2j9tA1 VAL 248 H -0.17 0.19 0.22 -0.55 8.24 7.94 2j9tA1 VAL 248 HA -0.17 0.32 1.16 -0.75 4.13 4.69 2j9tA1 VAL 248 HB -0.06 -0.02 -0.01 -0.04 2.12 1.99 2j9tA1 VAL 248 HG13 -0.08 0.02 -0.11 -0.04 0.97 0.77 2j9tA1 VAL 248 HG23 0.01 -0.03 -0.07 -0.04 0.95 0.82 2j9tA1 TRP 249 H 0.08 0.73 0.36 -0.55 7.97 8.60 2j9tA1 TRP 249 HA 0.00 0.15 1.01 -0.75 4.62 5.04 2j9tA1 TRP 249 HB2 0.05 0.04 0.08 -0.04 3.23 3.36 2j9tA1 TRP 249 HB3 0.08 -0.04 0.00 -0.04 3.23 3.23 2j9tA1 TRP 249 HD1 -0.01 0.08 -0.00 -0.04 7.22 7.24 2j9tA1 TRP 249 HE1 -0.03 0.02 -0.02 -0.04 10.20 10.14 2j9tA1 TRP 249 HE3 0.05 -0.06 -0.07 -0.04 7.59 7.48 2j9tA1 TRP 249 HZ2 -0.07 0.04 -0.01 -0.04 7.44 7.36 2j9tA1 TRP 249 HZ3 -0.92 0.01 -0.01 -0.04 7.13 6.17 2j9tA1 TRP 249 HH2 -0.35 0.17 0.01 -0.04 7.19 6.98 2j9tA1 ASP 250 H 0.18 0.12 0.21 -0.55 8.40 8.37 2j9tA1 ASP 250 HA 0.10 0.19 0.66 -0.75 4.63 4.82 2j9tA1 ASP 250 HB2 0.06 -0.03 0.21 -0.04 2.71 2.90 2j9tA1 ASP 250 HB3 0.07 0.11 0.18 -0.04 2.70 3.01 2j9tA1 THR 251 H 0.07 0.30 0.18 -0.55 8.28 8.29 2j9tA1 THR 251 HA 0.14 0.10 0.32 -0.75 4.39 4.20 2j9tA1 THR 251 HB 0.06 -0.04 0.18 -0.04 4.32 4.47 2j9tA1 THR 251 HG23 0.08 0.02 -0.10 -0.04 1.22 1.18 2j9tA1 ALA 252 H 0.05 0.12 -0.03 -0.55 8.40 7.99 2j9tA1 ALA 252 HA 0.04 0.10 0.34 -0.75 4.34 4.05 2j9tA1 ALA 252 HB3 0.00 0.02 0.06 -0.04 1.41 1.46 2j9tA1 ARG 253 H -0.01 0.03 -0.33 -0.55 8.46 7.60 2j9tA1 ARG 253 HA -0.23 0.10 0.48 -0.75 4.34 3.94 2j9tA1 ARG 253 HB2 -0.20 -0.02 0.12 -0.04 1.90 1.75 2j9tA1 ARG 253 HB3 -0.14 -0.02 0.14 -0.04 1.80 1.74 2j9tA1 ARG 253 HG2 -1.06 0.01 0.04 -0.04 1.67 0.62 2j9tA1 ARG 253 HG3 -2.01 0.05 -0.19 -0.04 1.67 -0.53 2j9tA1 ARG 253 HD2 -0.52 -0.03 0.12 -0.04 3.22 2.76 2j9tA1 ARG 253 HD3 -0.38 -0.00 0.05 -0.04 3.22 2.84 2j9tA1 TYR 254 H 0.22 0.53 -0.09 -0.55 8.29 8.40 2j9tA1 TYR 254 HA 0.33 0.05 0.42 -0.75 4.56 4.61 2j9tA1 TYR 254 HB2 0.37 -0.03 0.01 -0.04 3.06 3.37 2j9tA1 TYR 254 HB3 0.19 0.09 0.07 -0.04 2.98 3.29 2j9tA1 TYR 254 HD2 0.21 -0.03 -0.15 -0.04 7.15 7.14 2j9tA1 TYR 254 HE2 0.12 0.07 -0.04 -0.04 6.85 6.97 2j9tA1 GLN 255 H 0.19 0.61 -0.10 -0.55 8.47 8.63 2j9tA1 GLN 255 HA 0.04 0.05 0.43 -0.75 4.36 4.12 2j9tA1 GLN 255 HB2 0.05 0.07 0.05 -0.04 2.15 2.28 2j9tA1 GLN 255 HB3 0.05 -0.01 0.05 -0.04 2.02 2.07 2j9tA1 GLN 255 HG2 0.27 -0.05 0.04 -0.04 2.40 2.61 2j9tA1 GLN 255 HG3 0.12 -0.00 -0.24 -0.04 2.39 2.23 2j9tA1 GLN 255 HE21 0.08 0.11 0.06 -0.04 6.97 7.19 2j9tA1 GLN 255 HE22 0.18 -0.08 0.04 -0.04 7.69 7.78 2j9tA1 ALA 256 H -0.03 0.38 -0.35 -0.55 8.40 7.85 2j9tA1 ALA 256 HA -0.04 0.02 0.44 -0.75 4.34 4.00 2j9tA1 ALA 256 HB3 -0.09 0.05 0.15 -0.04 1.41 1.48 2j9tA1 TRP 257 H 0.04 0.39 -0.10 -0.55 7.97 7.75 2j9tA1 TRP 257 HA -0.07 0.04 0.44 -0.75 4.62 4.28 2j9tA1 TRP 257 HB2 -0.20 0.02 0.11 -0.04 3.23 3.12 2j9tA1 TRP 257 HB3 -0.11 0.08 0.19 -0.04 3.23 3.36 2j9tA1 TRP 257 HD1 0.18 0.11 -0.02 -0.04 7.22 7.45 2j9tA1 TRP 257 HE1 0.04 0.04 -0.18 -0.04 10.20 10.05 2j9tA1 TRP 257 HE3 -0.60 0.13 -0.02 -0.04 7.59 7.06 2j9tA1 TRP 257 HZ2 -1.08 0.01 -0.08 -0.04 7.44 6.25 2j9tA1 TRP 257 HZ3 -0.24 0.05 -0.06 -0.04 7.13 6.83 2j9tA1 TRP 257 HH2 -0.36 0.02 -0.08 -0.04 7.19 6.73 2j9tA1 ASN 258 H -0.04 0.65 -0.07 -0.55 8.53 8.52 2j9tA1 ASN 258 HA -0.89 -0.01 0.39 -0.75 4.76 3.49 2j9tA1 ASN 258 HB2 -0.41 0.10 0.10 -0.04 2.88 2.62 2j9tA1 ASN 258 HB3 -0.14 0.06 0.10 -0.04 2.79 2.76 2j9tA1 ASN 258 HD21 0.05 0.07 -0.09 -0.04 7.03 7.02 2j9tA1 ASN 258 HD22 0.07 -0.07 -0.04 -0.04 7.74 7.65 2j9tA1 THR 259 H -0.13 0.55 -0.27 -0.55 8.28 7.88 2j9tA1 THR 259 HA -0.09 0.02 0.43 -0.75 4.39 3.99 2j9tA1 THR 259 HB -0.06 0.14 0.19 -0.04 4.32 4.54 2j9tA1 THR 259 HG23 -0.04 -0.02 -0.07 -0.04 1.22 1.04 2j9tA1 ALA 260 H -0.14 0.45 -0.12 -0.55 8.40 8.04 2j9tA1 ALA 260 HA -0.08 0.02 0.46 -0.75 4.34 3.98 2j9tA1 ALA 260 HB3 -0.06 0.02 0.11 -0.04 1.41 1.44 2j9tA1 PHE 261 H -0.39 0.83 0.04 -0.55 8.34 8.27 2j9tA1 PHE 261 HA -0.29 0.00 0.43 -0.75 4.62 4.01 2j9tA1 PHE 261 HB2 -1.53 0.14 0.10 -0.04 3.15 1.82 2j9tA1 PHE 261 HB3 -0.94 0.03 0.10 -0.04 3.06 2.21 2j9tA1 PHE 261 HD2 -0.20 0.04 -0.07 -0.04 7.28 7.01 2j9tA1 PHE 261 HE2 0.10 0.09 -0.08 -0.04 7.38 7.45 2j9tA1 PHE 261 HZ 0.11 -0.02 -0.09 -0.04 7.32 7.27 2j9tA1 SER 262 H -0.19 0.78 -0.05 -0.55 8.46 8.45 2j9tA1 SER 262 HA -0.09 -0.01 0.44 -0.75 4.49 4.07 2j9tA1 SER 262 HB2 -0.10 0.13 0.15 -0.04 3.95 4.09 2j9tA1 SER 262 HB3 -0.06 -0.04 0.08 -0.04 3.93 3.87 2j9tA1 GLY 263 H -0.11 0.33 -0.59 -0.55 8.43 7.51 2j9tA1 GLY 263 HA2 -0.04 -0.00 0.42 -0.51 4.01 3.88 2j9tA1 GLY 263 HA3 -0.06 0.10 0.33 -0.51 4.01 3.87 2j9tA1 GLN 264 H -0.15 0.49 -0.13 -0.55 8.47 8.13 2j9tA1 GLN 264 HA -0.06 0.00 0.53 -0.75 4.36 4.08 2j9tA1 GLN 264 HB2 -0.30 0.17 0.17 -0.04 2.15 2.15 2j9tA1 GLN 264 HB3 -0.13 -0.08 0.05 -0.04 2.02 1.81 2j9tA1 GLN 264 HG2 -0.11 0.24 0.07 -0.04 2.40 2.55 2j9tA1 GLN 264 HG3 -0.12 -0.03 -0.04 -0.04 2.39 2.16 2j9tA1 GLN 264 HE21 -0.02 -0.04 -0.02 -0.04 6.97 6.85 2j9tA1 GLN 264 HE22 -0.03 0.05 -0.04 -0.04 7.69 7.63 2j9tA1 LYS 265 H -0.18 0.53 -0.09 -0.55 8.42 8.13 2j9tA1 LYS 265 HA 0.04 -0.03 0.38 -0.75 4.32 3.96 2j9tA1 LYS 265 HB2 -0.16 0.01 0.09 -0.04 1.87 1.77 2j9tA1 LYS 265 HB3 -0.06 0.17 0.16 -0.04 1.79 2.02 2j9tA1 LYS 265 HG2 0.12 -0.05 -0.15 -0.04 1.46 1.34 2j9tA1 LYS 265 HG3 -0.13 -0.06 -0.01 -0.04 1.46 1.21 2j9tA1 LYS 265 HD2 -0.21 -0.05 -0.06 -0.04 1.69 1.32 2j9tA1 LYS 265 HD3 -0.12 0.03 -0.02 -0.04 1.68 1.53 2j9tA1 LYS 265 HE2 -0.84 -0.13 -0.11 -0.04 2.99 1.87 2j9tA1 LYS 265 HE3 -0.58 -0.01 -0.03 -0.04 2.99 2.33 2j9tA1 ASP 266 H 0.00 0.58 -0.25 -0.55 8.40 8.19 2j9tA1 ASP 266 HA 0.14 0.03 0.41 -0.75 4.63 4.45 2j9tA1 ASP 266 HB2 0.01 0.15 0.18 -0.04 2.71 3.01 2j9tA1 ASP 266 HB3 0.03 -0.09 0.03 -0.04 2.70 2.64 2j9tA1 ASN 267 H 0.01 0.40 -0.32 -0.55 8.53 8.07 2j9tA1 ASN 267 HA 0.02 -0.00 0.48 -0.75 4.76 4.50 2j9tA1 ASN 267 HB2 -0.00 0.19 0.26 -0.04 2.88 3.29 2j9tA1 ASN 267 HB3 0.01 -0.10 0.04 -0.04 2.79 2.69 2j9tA1 ASN 267 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.91 2j9tA1 ASN 267 HD22 -0.02 -0.06 0.02 -0.04 7.74 7.65 2j9tA1 ILE 268 H 0.06 0.56 -0.13 -0.55 8.25 8.20 2j9tA1 ILE 268 HA 0.07 -0.02 0.50 -0.75 4.18 3.97 2j9tA1 ILE 268 HB 0.14 0.23 0.18 -0.04 1.89 2.40 2j9tA1 ILE 268 HG12 0.13 -0.09 0.03 -0.04 1.49 1.52 2j9tA1 ILE 268 HG13 0.05 0.21 0.05 -0.04 1.21 1.47 2j9tA1 ILE 268 HG23 -0.02 -0.02 -0.06 -0.04 0.93 0.79 2j9tA1 ILE 268 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 2j9tA1 GLN 269 H 0.12 0.49 -0.21 -0.55 8.47 8.33 2j9tA1 GLN 269 HA -0.06 -0.01 0.42 -0.75 4.36 3.95 2j9tA1 GLN 269 HB2 0.35 0.06 0.09 -0.04 2.15 2.61 2j9tA1 GLN 269 HB3 0.16 0.19 0.16 -0.04 2.02 2.48 2j9tA1 GLN 269 HG2 0.09 -0.07 -0.13 -0.04 2.40 2.26 2j9tA1 GLN 269 HG3 0.26 -0.05 0.08 -0.04 2.39 2.64 2j9tA1 GLN 269 HE21 0.11 0.01 -0.01 -0.04 6.97 7.04 2j9tA1 GLN 269 HE22 0.10 -0.07 -0.04 -0.04 7.69 7.64 2j9tA1 ASN 270 H 0.02 0.44 -0.23 -0.55 8.53 8.22 2j9tA1 ASN 270 HA -0.01 0.01 0.51 -0.75 4.76 4.53 2j9tA1 ASN 270 HB2 0.01 0.13 0.18 -0.04 2.88 3.16 2j9tA1 ASN 270 HB3 0.00 -0.07 0.06 -0.04 2.79 2.74 2j9tA1 ASN 270 HD21 0.02 -0.02 -0.03 -0.04 7.03 6.95 2j9tA1 ASN 270 HD22 0.01 -0.04 0.02 -0.04 7.74 7.68 2j9tA1 ASP 271 H -0.01 0.51 -0.10 -0.55 8.40 8.24 2j9tA1 ASP 271 HA -0.02 -0.02 0.44 -0.75 4.63 4.28 2j9tA1 ASP 271 HB2 0.01 0.18 0.27 -0.04 2.71 3.13 2j9tA1 ASP 271 HB3 -0.00 -0.04 0.08 -0.04 2.70 2.69 2j9tA1 VAL 272 H -0.18 0.58 -0.04 -0.55 8.24 8.06 2j9tA1 VAL 272 HA -0.19 -0.00 0.38 -0.75 4.13 3.56 2j9tA1 VAL 272 HB -0.86 0.10 0.15 -0.04 2.12 1.47 2j9tA1 VAL 272 HG13 -0.84 -0.02 -0.13 -0.04 0.97 -0.06 2j9tA1 VAL 272 HG23 -0.60 0.01 0.05 -0.04 0.95 0.37 2j9tA1 GLN 273 H -0.15 0.65 -0.15 -0.55 8.47 8.27 2j9tA1 GLN 273 HA -0.07 -0.04 0.40 -0.75 4.36 3.89 2j9tA1 GLN 273 HB2 -0.03 0.11 0.17 -0.04 2.15 2.36 2j9tA1 GLN 273 HB3 -0.03 0.09 0.22 -0.04 2.02 2.26 2j9tA1 GLN 273 HG2 0.00 -0.01 -0.02 -0.04 2.40 2.34 2j9tA1 GLN 273 HG3 -0.01 -0.07 -0.14 -0.04 2.39 2.13 2j9tA1 GLN 273 HE21 0.01 -0.01 0.01 -0.04 6.97 6.94 2j9tA1 GLN 273 HE22 0.00 -0.06 0.03 -0.04 7.69 7.62 2j9tA1 THR 274 H -0.04 0.70 -0.11 -0.55 8.28 8.29 2j9tA1 THR 274 HA 0.00 -0.04 0.45 -0.75 4.39 4.05 2j9tA1 THR 274 HB -0.01 0.15 0.22 -0.04 4.32 4.65 2j9tA1 THR 274 HG23 0.01 -0.02 -0.04 -0.04 1.22 1.13 2j9tA1 LEU 275 H -0.02 0.58 -0.04 -0.55 8.37 8.35 2j9tA1 LEU 275 HA 0.09 0.04 0.44 -0.75 4.35 4.17 2j9tA1 LEU 275 HB2 -0.03 0.12 0.19 -0.04 1.64 1.88 2j9tA1 LEU 275 HB3 0.04 -0.08 -0.02 -0.04 1.64 1.54 2j9tA1 LEU 275 HG 0.02 -0.06 -0.01 -0.04 1.64 1.55 2j9tA1 LEU 275 HD13 0.09 0.03 0.06 -0.04 0.93 1.08 2j9tA1 LEU 275 HD23 -0.01 -0.01 -0.00 -0.04 0.89 0.82 2j9tA1 VAL 276 H -0.02 0.71 -0.15 -0.55 8.24 8.24 2j9tA1 VAL 276 HA 0.08 -0.04 0.45 -0.75 4.13 3.87 2j9tA1 VAL 276 HB -0.02 0.18 0.20 -0.04 2.12 2.44 2j9tA1 VAL 276 HG13 0.04 -0.03 -0.09 -0.04 0.97 0.84 2j9tA1 VAL 276 HG23 -0.09 0.06 -0.00 -0.04 0.95 0.88 2j9tA1 GLU 277 H 0.03 0.65 -0.05 -0.55 8.60 8.68 2j9tA1 GLU 277 HA 0.04 -0.05 0.41 -0.75 4.29 3.93 2j9tA1 GLU 277 HB2 0.02 0.19 0.20 -0.04 2.09 2.46 2j9tA1 GLU 277 HB3 0.01 -0.08 0.06 -0.04 1.99 1.95 2j9tA1 GLU 277 HG2 0.01 -0.08 0.04 -0.04 2.34 2.27 2j9tA1 GLU 277 HG3 0.01 0.18 0.11 -0.04 2.34 2.60 2j9tA1 LYS 278 H 0.08 0.54 -0.21 -0.55 8.42 8.27 2j9tA1 LYS 278 HA 0.06 -0.00 0.45 -0.75 4.32 4.08 2j9tA1 LYS 278 HB2 0.21 0.17 0.18 -0.04 1.87 2.39 2j9tA1 LYS 278 HB3 0.27 -0.07 0.00 -0.04 1.79 1.95 2j9tA1 LYS 278 HG2 0.06 -0.08 0.03 -0.04 1.46 1.43 2j9tA1 LYS 278 HG3 0.06 0.12 0.05 -0.04 1.46 1.65 2j9tA1 LYS 278 HD2 0.13 -0.04 -0.01 -0.04 1.69 1.72 2j9tA1 LYS 278 HD3 0.15 0.07 0.00 -0.04 1.68 1.86 2j9tA1 LYS 278 HE2 0.03 -0.10 -0.05 -0.04 2.99 2.84 2j9tA1 LYS 278 HE3 0.05 0.02 -0.07 -0.04 2.99 2.95 2j9tA1 TYR 279 H 0.18 0.57 -0.12 -0.55 8.29 8.37 2j9tA1 TYR 279 HA -0.59 0.01 0.50 -0.75 4.56 3.72 2j9tA1 TYR 279 HB2 0.10 0.02 0.11 -0.04 3.06 3.25 2j9tA1 TYR 279 HB3 -0.00 0.17 0.27 -0.04 2.98 3.37 2j9tA1 TYR 279 HD2 0.02 0.02 -0.05 -0.04 7.15 7.10 2j9tA1 TYR 279 HE2 0.00 -0.02 -0.12 -0.04 6.85 6.66 2j9tA1 SER 280 H 0.06 0.76 -0.00 -0.55 8.46 8.73 2j9tA1 SER 280 HA -0.31 -0.03 0.42 -0.75 4.49 3.81 2j9tA1 SER 280 HB2 -0.04 -0.09 0.09 -0.04 3.95 3.87 2j9tA1 SER 280 HB3 0.04 0.16 0.13 -0.04 3.93 4.22 2j9tA1 HIS 281 H 0.01 0.43 -0.42 -0.55 8.41 7.88 2j9tA1 HIS 281 HA -0.07 0.01 0.53 -0.75 4.63 4.34 2j9tA1 HIS 281 HB2 -0.04 0.03 0.11 -0.04 3.26 3.33 2j9tA1 HIS 281 HB3 -0.07 0.18 0.17 -0.04 3.20 3.44 2j9tA1 HIS 281 HD2 -0.04 0.07 -0.13 -0.04 6.97 6.82 2j9tA1 HIS 281 HE1 -0.02 -0.01 -0.00 -0.04 7.75 7.67 2j9tA1 GLN 282 H -0.27 0.45 -0.25 -0.55 8.47 7.85 2j9tA1 GLN 282 HA -0.21 0.03 0.55 -0.75 4.36 3.98 2j9tA1 GLN 282 HB2 -0.72 0.14 0.21 -0.04 2.15 1.74 2j9tA1 GLN 282 HB3 -0.49 0.09 0.14 -0.04 2.02 1.71 2j9tA1 GLN 282 HG2 0.01 -0.04 0.06 -0.04 2.40 2.39 2j9tA1 GLN 282 HG3 0.02 0.02 0.03 -0.04 2.39 2.43 2j9tA1 GLN 282 HE21 0.15 0.02 -0.10 -0.04 6.97 7.00 2j9tA1 GLN 282 HE22 0.14 -0.00 -0.04 -0.04 7.69 7.74 2j9tA1 ASN 283 H -0.36 0.47 -0.10 -0.55 8.53 7.99 2j9tA1 ASN 283 HA -0.07 0.03 0.38 -0.75 4.76 4.34 2j9tA1 ASN 283 HB2 -0.25 0.19 0.16 -0.04 2.88 2.94 2j9tA1 ASN 283 HB3 -0.08 -0.11 0.01 -0.04 2.79 2.58 2j9tA1 ASN 283 HD21 -0.52 -0.01 -0.03 -0.04 7.03 6.43 2j9tA1 ASN 283 HD22 -0.34 -0.00 0.03 -0.04 7.74 7.38 2j9tA1 SER 284 H -0.16 0.34 -0.47 -0.55 8.46 7.62 2j9tA1 SER 284 HA -0.04 0.00 0.51 -0.75 4.49 4.21 2j9tA1 SER 284 HB2 -0.07 -0.01 0.10 -0.04 3.95 3.93 2j9tA1 SER 284 HB3 -0.18 0.18 0.19 -0.04 3.93 4.07 2j9tA1 ASN 285 H -0.23 0.47 -0.12 -0.55 8.53 8.10 2j9tA1 ASN 285 HA -0.12 0.00 0.43 -0.75 4.76 4.31 2j9tA1 ASN 285 HB2 -0.14 0.13 0.24 -0.04 2.88 3.07 2j9tA1 ASN 285 HB3 -0.07 -0.06 0.04 -0.04 2.79 2.67 2j9tA1 ASN 285 HD21 -0.03 -0.03 -0.01 -0.04 7.03 6.93 2j9tA1 ASN 285 HD22 -0.08 -0.02 0.02 -0.04 7.74 7.62 2j9tA1 PHE 286 H 0.08 0.50 -0.31 -0.55 8.34 8.06 2j9tA1 PHE 286 HA -0.04 0.03 0.48 -0.75 4.62 4.34 2j9tA1 PHE 286 HB2 -0.04 0.03 0.07 -0.04 3.15 3.16 2j9tA1 PHE 286 HB3 -0.05 0.13 0.13 -0.04 3.06 3.23 2j9tA1 PHE 286 HD2 -0.03 0.03 -0.13 -0.04 7.28 7.12 2j9tA1 PHE 286 HE2 -0.04 0.02 -0.07 -0.04 7.38 7.25 2j9tA1 PHE 286 HZ -0.05 0.08 0.08 -0.04 7.32 7.39 2j9tA1 ASP 287 H 0.11 0.45 -0.14 -0.55 8.40 8.27 2j9tA1 ASP 287 HA -0.05 0.02 0.40 -0.75 4.63 4.25 2j9tA1 ASP 287 HB2 0.01 0.14 0.20 -0.04 2.71 3.02 2j9tA1 ASP 287 HB3 0.01 -0.05 0.03 -0.04 2.70 2.64 2j9tA1 ASN 288 H -0.07 0.45 -0.29 -0.55 8.53 8.07 2j9tA1 ASN 288 HA -0.07 0.03 0.46 -0.75 4.76 4.44 2j9tA1 ASN 288 HB2 -0.07 0.14 0.16 -0.04 2.88 3.07 2j9tA1 ASN 288 HB3 -0.06 -0.04 0.01 -0.04 2.79 2.65 2j9tA1 ASN 288 HD21 -0.04 -0.05 -0.04 -0.04 7.03 6.86 2j9tA1 ASN 288 HD22 -0.06 -0.01 -0.02 -0.04 7.74 7.61 2j9tA1 LEU 289 H -0.15 0.54 -0.07 -0.55 8.37 8.14 2j9tA1 LEU 289 HA -0.11 -0.03 0.42 -0.75 4.35 3.89 2j9tA1 LEU 289 HB2 -0.12 0.11 0.20 -0.04 1.64 1.78 2j9tA1 LEU 289 HB3 -0.34 0.10 0.17 -0.04 1.64 1.54 2j9tA1 LEU 289 HG -0.07 -0.04 0.02 -0.04 1.64 1.51 2j9tA1 LEU 289 HD13 -0.04 0.01 -0.01 -0.04 0.93 0.85 2j9tA1 LEU 289 HD23 -0.13 -0.02 -0.17 -0.04 0.89 0.53 2j9tA1 VAL 290 H -0.42 0.62 -0.16 -0.55 8.24 7.73 2j9tA1 VAL 290 HA -0.23 0.00 0.35 -0.75 4.13 3.50 2j9tA1 VAL 290 HB -0.39 0.11 0.13 -0.04 2.12 1.93 2j9tA1 VAL 290 HG13 -0.10 -0.00 -0.19 -0.04 0.97 0.64 2j9tA1 VAL 290 HG23 -0.63 -0.01 -0.02 -0.04 0.95 0.24 2j9tA1 LYS 291 H -0.13 0.44 -0.25 -0.55 8.42 7.93 2j9tA1 LYS 291 HA -0.06 0.06 0.46 -0.75 4.32 4.03 2j9tA1 LYS 291 HB2 -0.06 0.03 0.23 -0.04 1.87 2.02 2j9tA1 LYS 291 HB3 -0.04 -0.03 0.05 -0.04 1.79 1.72 2j9tA1 LYS 291 HG2 -0.03 0.22 0.01 -0.04 1.46 1.61 2j9tA1 LYS 291 HG3 -0.06 0.07 0.04 -0.04 1.46 1.48 2j9tA1 LYS 291 HD2 -0.04 -0.05 -0.12 -0.04 1.69 1.45 2j9tA1 LYS 291 HD3 -0.03 -0.03 0.00 -0.04 1.68 1.59 2j9tA1 LYS 291 HE2 -0.02 0.00 -0.20 -0.04 2.99 2.74 2j9tA1 LYS 291 HE3 -0.02 -0.07 -0.10 -0.04 2.99 2.75 2j9tA1 VAL 292 H -0.08 0.66 -0.02 -0.55 8.24 8.26 2j9tA1 VAL 292 HA -0.04 0.04 0.51 -0.75 4.13 3.88 2j9tA1 VAL 292 HB -0.04 -0.06 0.08 -0.04 2.12 2.06 2j9tA1 VAL 292 HG13 -0.05 0.15 0.07 -0.04 0.97 1.11 2j9tA1 VAL 292 HG23 -0.05 0.05 0.05 -0.04 0.95 0.95 2j9tA1 LEU 293 H -0.07 0.66 0.05 -0.55 8.37 8.46 2j9tA1 LEU 293 HA -0.04 -0.02 0.41 -0.75 4.35 3.95 2j9tA1 LEU 293 HB2 -0.04 0.02 0.04 -0.04 1.64 1.62 2j9tA1 LEU 293 HB3 -0.05 -0.06 0.10 -0.04 1.64 1.60 2j9tA1 LEU 293 HG -0.10 0.43 0.06 -0.04 1.64 1.99 2j9tA1 LEU 293 HD13 -0.08 -0.05 -0.08 -0.04 0.93 0.68 2j9tA1 LEU 293 HD23 -0.06 -0.03 -0.09 -0.04 0.89 0.67 2j9tA1 SER 294 H -0.06 0.37 -0.55 -0.55 8.46 7.68 2j9tA1 SER 294 HA -0.03 0.05 0.54 -0.75 4.49 4.29 2j9tA1 SER 294 HB2 -0.03 -0.11 0.10 -0.04 3.95 3.87 2j9tA1 SER 294 HB3 -0.05 0.51 0.27 -0.04 3.93 4.61 2j9tA1 GLY 295 H -0.03 0.44 -0.16 -0.55 8.43 8.13 2j9tA1 GLY 295 HA2 -0.02 0.04 0.55 -0.51 4.01 4.08 2j9tA1 GLY 295 HA3 -0.02 0.07 0.37 -0.51 4.01 3.92 2j9tA1 ALA 296 H -0.03 0.50 -0.03 -0.55 8.40 8.30 2j9tA1 ALA 296 HA -0.02 -0.01 0.41 -0.75 4.34 3.97 2j9tA1 ALA 296 HB3 -0.02 0.03 0.07 -0.04 1.41 1.45 2j9tA1 ILE 297 H -0.02 0.37 -0.44 -0.55 8.25 7.60 2j9tA1 ILE 297 HA -0.01 0.06 0.40 -0.75 4.18 3.87 2j9tA1 ILE 297 HB -0.02 0.12 0.14 -0.04 1.89 2.09 2j9tA1 ILE 297 HG12 -0.01 -0.03 -0.01 -0.04 1.49 1.39 2j9tA1 ILE 297 HG13 -0.02 0.27 0.11 -0.04 1.21 1.54 2j9tA1 ILE 297 HG23 -0.01 -0.00 -0.15 -0.04 0.93 0.73 2j9tA1 ILE 297 HD13 -0.01 0.02 -0.04 -0.04 0.88 0.81 2j9tA1 SER 298 H -0.01 0.34 -0.24 -0.55 8.46 7.99 2j9tA1 SER 298 HA -0.01 0.01 0.41 -0.75 4.49 4.15 2j9tA1 SER 298 HB2 -0.01 -0.05 0.11 -0.04 3.95 3.96 2j9tA1 SER 298 HB3 -0.01 0.10 0.22 -0.04 3.93 4.20 2j9tA1 THR 299 H -0.01 0.49 -0.23 -0.55 8.28 7.98 2j9tA1 THR 299 HA -0.01 0.03 0.51 -0.75 4.39 4.16 2j9tA1 THR 299 HB -0.01 0.06 0.18 -0.04 4.32 4.50 2j9tA1 THR 299 HG23 -0.01 -0.03 -0.10 -0.04 1.22 1.04 2j9tA1 LEU 300 H -0.01 0.53 -0.24 -0.55 8.37 8.11 2j9tA1 LEU 300 HA -0.01 0.02 0.58 -0.75 4.35 4.19 2j9tA1 LEU 300 HB2 -0.01 0.16 0.15 -0.04 1.64 1.90 2j9tA1 LEU 300 HB3 -0.01 -0.06 0.22 -0.04 1.64 1.75 2j9tA1 LEU 300 HG -0.01 -0.09 0.04 -0.04 1.64 1.54 2j9tA1 LEU 300 HD13 -0.01 0.05 -0.11 -0.04 0.93 0.82 2j9tA1 LEU 300 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 2j9tA1 THR 301 H -0.01 0.33 -1.08 -0.55 8.28 6.97 2j9tA1 THR 301 HA -0.00 0.04 0.31 -0.75 4.39 3.97 2j9tA1 THR 301 HB -0.01 0.09 -0.02 -0.04 4.32 4.34 2j9tA1 THR 301 HG23 -0.00 -0.04 0.05 -0.04 1.22 1.18