============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 3 0.840 13.019 8.459 27.423 -99.200 -91.000 TYR 17 0.840 14.743 19.611 30.556 -99.200 -91.000 PHE 42 1.000 -0.267 25.169 21.006 -99.200 -91.000 HIS 59 0.900 22.919 15.589 5.159 -99.200 -91.000 HIS 64 0.900 16.630 7.610 19.243 -99.200 -91.000 PHE 66 1.000 5.974 9.622 16.943 -99.200 -91.000 TYR 74 0.840 7.602 9.858 24.732 -99.200 -91.000 HIS 113 0.900 7.832 21.590 -0.638 -99.200 -91.000 HIS 119 0.900 11.820 22.762 8.892 -99.200 -91.000 PHE 134 1.000 26.333 14.180 8.485 -99.200 -91.000 TYR 136 0.840 22.891 15.251 12.063 -99.200 -91.000 PHE 140 1.000 16.714 21.108 18.977 -99.200 -91.000 TYR 146 0.840 19.346 39.829 11.602 -99.200 -91.000 TYR 147 0.840 19.166 34.473 8.778 -99.200 -91.000 PHE 152 1.000 8.477 40.305 6.074 -99.200 -91.000 TYR 155 0.840 3.845 31.755 0.674 -99.200 -91.000 TYR 160 0.840 14.286 35.953 0.549 -99.200 -91.000 TYR 167 0.840 25.375 38.521 1.551 -99.200 -91.000 TYR 176 0.840 18.324 42.736 2.094 -99.200 -91.000 HIS 186 0.900 14.842 39.844 3.885 -99.200 -91.000 PHE 205 1.000 29.958 30.978 -4.761 -99.200 -91.000 TYR 220 0.840 19.044 28.963 -7.647 -99.200 -91.000 HIS 231 0.900 29.905 21.206 -6.338 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2h34A1 GLY 14 HA2 -0.03 -0.03 0.15 -0.51 4.01 3.58 2h34A1 GLY 14 HA3 -0.05 -0.03 0.20 -0.51 4.01 3.62 2h34A1 PRO 15 HA -0.17 0.07 0.51 -0.51 4.44 4.34 2h34A1 PRO 15 HB2 -0.56 -0.14 0.02 -0.04 2.28 1.57 2h34A1 PRO 15 HB3 -0.25 0.01 0.12 -0.04 2.02 1.86 2h34A1 PRO 15 HG2 -0.92 0.05 -0.03 -0.04 2.03 1.09 2h34A1 PRO 15 HG3 -0.30 0.04 0.02 -0.04 2.03 1.75 2h34A1 PRO 15 HD2 -0.13 0.17 0.15 -0.04 3.68 3.82 2h34A1 PRO 15 HD3 -0.14 0.09 0.09 -0.04 3.65 3.64 2h34A1 TYR 16 H -0.04 0.15 -0.68 -0.55 8.29 7.17 2h34A1 TYR 16 HA -0.03 0.28 0.75 -0.75 4.56 4.80 2h34A1 TYR 16 HB2 -0.06 0.10 -0.19 -0.04 3.06 2.87 2h34A1 TYR 16 HB3 -0.03 -0.05 -0.23 -0.04 2.98 2.63 2h34A1 TYR 16 HD2 -0.09 0.06 -0.30 -0.04 7.15 6.78 2h34A1 TYR 16 HE2 -0.15 0.01 -0.15 -0.04 6.85 6.51 2h34A1 ARG 17 H 0.10 0.22 0.11 -0.55 8.46 8.34 2h34A1 ARG 17 HA 0.00 0.14 0.75 -0.75 4.34 4.48 2h34A1 LEU 18 H -0.07 0.13 0.05 -0.55 8.37 7.93 2h34A1 LEU 18 HA -0.09 0.07 0.32 -0.75 4.35 3.89 2h34A1 LEU 18 HB2 -0.25 -0.04 0.02 -0.04 1.64 1.34 2h34A1 LEU 18 HB3 -0.56 0.09 0.09 -0.04 1.64 1.21 2h34A1 LEU 18 HG -0.13 -0.04 0.04 -0.04 1.64 1.47 2h34A1 LEU 18 HD13 -0.23 -0.00 0.00 -0.04 0.93 0.65 2h34A1 LEU 18 HD23 -0.27 0.01 -0.05 -0.04 0.89 0.55 2h34A1 ARG 19 H -0.06 0.37 0.20 -0.55 8.46 8.42 2h34A1 ARG 19 HA -0.03 0.11 0.58 -0.75 4.34 4.24 2h34A1 ARG 19 HB2 0.02 0.12 -0.11 -0.04 1.90 1.89 2h34A1 ARG 19 HB3 0.02 -0.29 0.20 -0.04 1.80 1.70 2h34A1 ARG 19 HG2 -0.00 -0.01 0.07 -0.04 1.67 1.69 2h34A1 ARG 19 HG3 -0.00 0.18 -0.35 -0.04 1.67 1.45 2h34A1 ARG 19 HD2 0.02 -0.04 -0.17 -0.04 3.22 2.99 2h34A1 ARG 19 HD3 0.01 -0.04 -0.04 -0.04 3.22 3.11 2h34A1 ARG 20 H 0.04 0.09 0.12 -0.55 8.46 8.16 2h34A1 ARG 20 HA 0.07 -0.00 0.34 -0.75 4.34 4.00 2h34A1 LEU 21 H 0.15 0.07 0.23 -0.55 8.37 8.28 2h34A1 LEU 21 HA 0.11 0.15 0.69 -0.75 4.35 4.55 2h34A1 LEU 21 HB2 0.28 0.02 0.17 -0.04 1.64 2.07 2h34A1 LEU 21 HB3 0.11 -0.11 0.24 -0.04 1.64 1.85 2h34A1 LEU 21 HG -0.01 -0.00 -0.09 -0.04 1.64 1.49 2h34A1 LEU 21 HD13 -0.24 0.06 -0.04 -0.04 0.93 0.66 2h34A1 LEU 21 HD23 0.03 -0.03 0.03 -0.04 0.89 0.88 2h34A1 VAL 22 H -0.03 0.38 0.36 -0.55 8.24 8.41 2h34A1 VAL 22 HA 0.01 0.13 0.65 -0.75 4.13 4.17 2h34A1 VAL 22 HB 0.05 -0.03 -0.02 -0.04 2.12 2.09 2h34A1 VAL 22 HG13 0.04 -0.02 -0.14 -0.04 0.97 0.81 2h34A1 VAL 22 HG23 0.04 0.06 -0.02 -0.04 0.95 0.99 2h34A1 GLY 23 H 0.04 0.14 0.01 -0.55 8.43 8.07 2h34A1 GLY 23 HA2 0.23 0.02 0.10 -0.51 4.01 3.86 2h34A1 GLY 23 HA3 -0.14 0.16 0.69 -0.51 4.01 4.21 2h34A1 ARG 24 H 0.15 -0.11 -0.09 -0.55 8.46 7.87 2h34A1 ARG 24 HA -0.08 0.20 0.85 -0.75 4.34 4.56 2h34A1 ARG 24 HB2 -0.01 0.02 -0.13 -0.04 1.90 1.75 2h34A1 ARG 24 HB3 0.04 -0.17 0.26 -0.04 1.80 1.89 2h34A1 ARG 24 HG2 0.01 -0.08 0.04 -0.04 1.67 1.60 2h34A1 ARG 24 HG3 -0.00 0.25 -0.02 -0.04 1.67 1.86 2h34A1 ARG 24 HD2 -0.06 0.08 0.06 -0.04 3.22 3.26 2h34A1 ARG 24 HD3 -0.04 -0.04 0.01 -0.04 3.22 3.11 2h34A1 GLY 25 H -0.10 0.15 0.10 -0.55 8.43 8.04 2h34A1 GLY 25 HA2 0.15 0.01 0.36 -0.51 4.01 4.02 2h34A1 GLY 25 HA3 0.01 0.02 0.28 -0.51 4.01 3.80 2h34A1 GLY 26 H 0.06 0.12 0.14 -0.55 8.43 8.20 2h34A1 GLY 26 HA2 0.04 0.06 0.26 -0.51 4.01 3.86 2h34A1 GLY 26 HA3 0.04 -0.00 0.29 -0.51 4.01 3.82 2h34A1 GLY 28 HA2 -0.04 0.16 -0.01 -0.51 4.01 3.61 2h34A1 GLY 28 HA3 -0.04 -0.13 0.03 -0.51 4.01 3.36 2h34A1 ASP 29 H -0.10 0.66 0.31 -0.55 8.40 8.72 2h34A1 ASP 29 HA -0.18 0.00 0.95 -0.75 4.63 4.65 2h34A1 ASP 29 HB2 -0.29 -0.03 0.11 -0.04 2.71 2.46 2h34A1 ASP 29 HB3 -0.25 0.03 0.09 -0.04 2.70 2.54 2h34A1 VAL 30 H -0.31 0.17 -0.04 -0.55 8.24 7.52 2h34A1 VAL 30 HA -0.25 0.15 0.73 -0.75 4.13 4.01 2h34A1 VAL 30 HB -0.47 0.04 0.11 -0.04 2.12 1.75 2h34A1 VAL 30 HG13 -0.27 -0.02 -0.23 -0.04 0.97 0.40 2h34A1 VAL 30 HG23 -0.80 -0.04 -0.16 -0.04 0.95 -0.09 2h34A1 TYR 31 H -0.03 0.72 0.41 -0.55 8.29 8.84 2h34A1 TYR 31 HA -0.05 0.12 0.82 -0.75 4.56 4.69 2h34A1 TYR 31 HB2 -0.06 -0.02 0.05 -0.04 3.06 2.99 2h34A1 TYR 31 HB3 -0.03 0.01 0.02 -0.04 2.98 2.93 2h34A1 TYR 31 HD2 -0.03 0.03 -0.05 -0.04 7.15 7.06 2h34A1 TYR 31 HE2 -0.02 -0.04 0.00 -0.04 6.85 6.75 2h34A1 GLU 32 H 0.11 0.39 0.11 -0.55 8.60 8.66 2h34A1 GLU 32 HA 0.03 0.16 0.83 -0.75 4.29 4.56 2h34A1 GLU 32 HB2 0.05 -0.11 0.10 -0.04 2.09 2.10 2h34A1 GLU 32 HB3 0.04 -0.03 -0.00 -0.04 1.99 1.96 2h34A1 GLU 32 HG2 0.04 0.00 -0.01 -0.04 2.34 2.33 2h34A1 GLU 32 HG3 0.04 0.06 0.03 -0.04 2.34 2.42 2h34A1 ALA 33 H 0.04 0.62 0.27 -0.55 8.40 8.78 2h34A1 ALA 33 HA 0.03 0.20 0.69 -0.75 4.34 4.51 2h34A1 ALA 33 HB3 -0.00 -0.00 -0.33 -0.04 1.41 1.04 2h34A1 GLU 34 H 0.06 0.45 0.15 -0.55 8.60 8.72 2h34A1 GLU 34 HA 0.08 0.17 0.93 -0.75 4.29 4.71 2h34A1 GLU 34 HB2 0.03 -0.00 0.02 -0.04 2.09 2.10 2h34A1 GLU 34 HB3 0.03 -0.01 0.13 -0.04 1.99 2.10 2h34A1 GLU 34 HG2 0.03 0.13 -0.37 -0.04 2.34 2.09 2h34A1 GLU 34 HG3 0.02 -0.03 -0.18 -0.04 2.34 2.11 2h34A1 ASP 35 H 0.13 0.54 0.27 -0.55 8.40 8.79 2h34A1 ASP 35 HA -0.07 0.09 0.56 -0.75 4.63 4.45 2h34A1 ASP 35 HB2 0.29 0.08 0.02 -0.04 2.71 3.06 2h34A1 ASP 35 HB3 0.05 -0.01 0.14 -0.04 2.70 2.83 2h34A1 THR 36 H -0.14 0.63 0.28 -0.55 8.28 8.49 2h34A1 THR 36 HA -0.04 0.08 0.33 -0.75 4.39 4.00 2h34A1 THR 36 HB -0.05 -0.05 0.05 -0.04 4.32 4.23 2h34A1 THR 36 HG23 -0.03 0.04 -0.01 -0.04 1.22 1.17 2h34A1 VAL 37 H -0.15 0.06 -0.02 -0.55 8.24 7.59 2h34A1 VAL 37 HA -0.07 0.14 0.67 -0.75 4.13 4.12 2h34A1 VAL 37 HB -0.13 -0.10 0.11 -0.04 2.12 1.96 2h34A1 VAL 37 HG13 -0.06 0.02 -0.12 -0.04 0.97 0.76 2h34A1 VAL 37 HG23 -0.11 0.01 0.05 -0.04 0.95 0.86 2h34A1 ARG 38 H -0.09 0.00 -0.14 -0.55 8.46 7.68 2h34A1 ARG 38 HA -0.04 0.12 0.29 -0.75 4.34 3.96 2h34A1 ARG 38 HB2 -0.04 -0.06 0.01 -0.04 1.90 1.77 2h34A1 ARG 38 HB3 -0.06 0.06 0.02 -0.04 1.80 1.78 2h34A1 ARG 38 HG2 -0.05 0.06 -0.03 -0.04 1.67 1.61 2h34A1 ARG 38 HG3 -0.05 -0.04 -0.10 -0.04 1.67 1.44 2h34A1 ARG 38 HD2 -0.04 -0.02 -0.05 -0.04 3.22 3.07 2h34A1 ARG 38 HD3 -0.03 -0.05 -0.04 -0.04 3.22 3.06 2h34A1 GLU 39 H -0.04 0.11 -0.61 -0.55 8.60 7.51 2h34A1 GLU 39 HA -0.02 0.04 0.24 -0.75 4.29 3.80 2h34A1 GLU 39 HB2 -0.02 0.10 -0.13 -0.04 2.09 2.01 2h34A1 GLU 39 HB3 -0.01 -0.09 0.13 -0.04 1.99 1.98 2h34A1 GLU 39 HG2 -0.02 0.09 -0.08 -0.04 2.34 2.28 2h34A1 GLU 39 HG3 -0.03 0.24 -0.24 -0.04 2.34 2.28 2h34A1 ARG 40 H 0.01 0.31 0.02 -0.55 8.46 8.23 2h34A1 ARG 40 HA 0.01 0.11 0.68 -0.75 4.34 4.39 2h34A1 ARG 40 HB2 0.01 -0.01 0.05 -0.04 1.90 1.91 2h34A1 ARG 40 HB3 -0.01 0.16 -0.26 -0.04 1.80 1.65 2h34A1 ARG 40 HG2 -0.02 -0.10 -0.24 -0.04 1.67 1.26 2h34A1 ARG 40 HG3 0.02 -0.04 -0.43 -0.04 1.67 1.18 2h34A1 ARG 40 HD2 -0.06 0.03 -0.11 -0.04 3.22 3.04 2h34A1 ARG 40 HD3 -0.07 0.06 -0.10 -0.04 3.22 3.06 2h34A1 ILE 41 H 0.03 0.18 0.15 -0.55 8.25 8.06 2h34A1 ILE 41 HA 0.06 0.16 0.98 -0.75 4.18 4.63 2h34A1 ILE 41 HB 0.04 -0.00 0.09 -0.04 1.89 1.97 2h34A1 ILE 41 HG12 0.03 0.01 -0.10 -0.04 1.49 1.39 2h34A1 ILE 41 HG13 0.03 -0.08 -0.03 -0.04 1.21 1.09 2h34A1 ILE 41 HG23 0.04 0.01 -0.15 -0.04 0.93 0.78 2h34A1 ILE 41 HD13 0.02 0.00 -0.02 -0.04 0.88 0.84 2h34A1 VAL 42 H 0.09 0.79 0.41 -0.55 8.24 8.98 2h34A1 VAL 42 HA 0.11 0.13 0.95 -0.75 4.13 4.56 2h34A1 VAL 42 HB 0.20 0.11 0.05 -0.04 2.12 2.44 2h34A1 VAL 42 HG13 0.20 -0.01 -0.28 -0.04 0.97 0.84 2h34A1 VAL 42 HG23 0.14 -0.01 -0.17 -0.04 0.95 0.86 2h34A1 ALA 43 H 0.04 0.22 0.03 -0.55 8.40 8.14 2h34A1 ALA 43 HA -0.00 0.14 0.93 -0.75 4.34 4.65 2h34A1 ALA 43 HB3 -0.01 0.03 0.03 -0.04 1.41 1.41 2h34A1 LEU 44 H -0.04 0.83 0.29 -0.55 8.37 8.90 2h34A1 LEU 44 HA -0.07 0.31 1.08 -0.75 4.35 4.92 2h34A1 LEU 44 HB2 -0.25 -0.07 -0.27 -0.04 1.64 1.00 2h34A1 LEU 44 HB3 -0.08 -0.00 -0.05 -0.04 1.64 1.47 2h34A1 LEU 44 HG -0.05 0.03 -0.46 -0.04 1.64 1.13 2h34A1 LEU 44 HD13 -0.04 0.04 -0.24 -0.04 0.93 0.65 2h34A1 LEU 44 HD23 -0.41 -0.03 -0.22 -0.04 0.89 0.19 2h34A1 LYS 45 H -0.05 0.60 0.27 -0.55 8.42 8.69 2h34A1 LYS 45 HA -0.14 0.12 0.70 -0.75 4.32 4.25 2h34A1 LYS 45 HB2 -0.17 -0.02 -0.04 -0.04 1.87 1.60 2h34A1 LYS 45 HB3 -0.06 -0.01 0.15 -0.04 1.79 1.83 2h34A1 LYS 45 HG2 -0.06 0.01 -0.35 -0.04 1.46 1.02 2h34A1 LYS 45 HG3 -0.14 -0.03 -0.31 -0.04 1.46 0.95 2h34A1 LYS 45 HD2 -0.04 -0.02 -0.08 -0.04 1.69 1.51 2h34A1 LYS 45 HD3 -0.03 0.07 -0.11 -0.04 1.68 1.56 2h34A1 LYS 45 HE2 -0.06 0.02 -0.10 -0.04 2.99 2.81 2h34A1 LYS 45 HE3 -0.15 -0.04 -0.12 -0.04 2.99 2.64 2h34A1 LEU 46 H -0.06 0.60 0.15 -0.55 8.37 8.50 2h34A1 LEU 46 HA 0.05 0.29 0.82 -0.75 4.35 4.76 2h34A1 LEU 46 HB2 0.07 0.07 0.09 -0.04 1.64 1.83 2h34A1 LEU 46 HB3 0.06 0.00 0.01 -0.04 1.64 1.67 2h34A1 LEU 46 HG 0.08 -0.03 -0.36 -0.04 1.64 1.28 2h34A1 LEU 46 HD13 0.17 -0.01 -0.08 -0.04 0.93 0.97 2h34A1 LEU 46 HD23 0.07 0.01 -0.14 -0.04 0.89 0.79 2h34A1 SER 48 HA 0.01 -0.15 0.08 -0.75 4.49 3.68 2h34A1 SER 48 HB2 -0.01 0.02 0.02 -0.04 3.95 3.94 2h34A1 SER 48 HB3 -0.02 -0.06 0.12 -0.04 3.93 3.93 2h34A1 GLU 49 HA -0.00 0.02 0.30 -0.75 4.29 3.86 2h34A1 GLU 49 HB2 -0.01 -0.01 -0.05 -0.04 2.09 1.97 2h34A1 GLU 49 HB3 -0.03 0.17 -0.36 -0.04 1.99 1.72 2h34A1 GLU 49 HG2 -0.02 -0.01 -0.00 -0.04 2.34 2.27 2h34A1 GLU 49 HG3 -0.03 0.03 0.06 -0.04 2.34 2.36 2h34A1 THR 50 H -0.01 0.14 -0.61 -0.55 8.28 7.25 2h34A1 THR 50 HA -0.02 -0.03 0.24 -0.75 4.39 3.83 2h34A1 THR 50 HB -0.01 0.12 0.02 -0.04 4.32 4.40 2h34A1 THR 50 HG23 0.00 -0.02 -0.06 -0.04 1.22 1.09 2h34A1 LEU 51 H -0.09 0.35 0.01 -0.55 8.37 8.09 2h34A1 LEU 51 HA -0.13 0.13 0.63 -0.75 4.35 4.22 2h34A1 LEU 51 HB2 -0.32 -0.05 0.10 -0.04 1.64 1.33 2h34A1 LEU 51 HB3 -0.18 0.17 0.08 -0.04 1.64 1.67 2h34A1 LEU 51 HG -0.57 -0.08 -0.22 -0.04 1.64 0.73 2h34A1 LEU 51 HD13 -0.69 -0.00 -0.05 -0.04 0.93 0.15 2h34A1 LEU 51 HD23 -0.13 0.01 0.04 -0.04 0.89 0.77 2h34A1 SER 52 H -0.09 0.14 -0.12 -0.55 8.46 7.85 2h34A1 SER 52 HA 0.00 0.07 0.71 -0.75 4.49 4.52 2h34A1 SER 52 HB2 0.13 -0.08 0.02 -0.04 3.95 3.99 2h34A1 SER 52 HB3 0.05 0.05 -0.02 -0.04 3.93 3.96 2h34A1 SER 53 H -0.03 0.33 -0.68 -0.55 8.46 7.53 2h34A1 SER 53 HA 0.01 0.09 0.60 -0.75 4.49 4.44 2h34A1 SER 53 HB2 -0.00 -0.02 0.01 -0.04 3.95 3.90 2h34A1 SER 53 HB3 0.01 -0.06 0.06 -0.04 3.93 3.90 2h34A1 ASP 54 H 0.02 0.22 0.01 -0.55 8.40 8.10 2h34A1 ASP 54 HA 0.05 0.14 0.60 -0.75 4.63 4.66 2h34A1 ASP 54 HB2 0.07 0.07 0.14 -0.04 2.71 2.95 2h34A1 ASP 54 HB3 0.10 0.15 0.24 -0.04 2.70 3.15 2h34A1 PRO 55 HA 0.05 0.14 0.40 -0.51 4.44 4.52 2h34A1 PRO 55 HB2 0.02 0.02 -0.02 -0.04 2.28 2.26 2h34A1 PRO 55 HB3 0.02 0.06 0.10 -0.04 2.02 2.16 2h34A1 PRO 55 HG2 0.02 0.02 0.09 -0.04 2.03 2.12 2h34A1 PRO 55 HG3 0.03 0.12 0.10 -0.04 2.03 2.24 2h34A1 PRO 55 HD2 0.04 0.04 0.21 -0.04 3.68 3.93 2h34A1 PRO 55 HD3 0.04 0.21 0.31 -0.04 3.65 4.17 2h34A1 VAL 56 H 0.06 0.08 -0.28 -0.55 8.24 7.55 2h34A1 VAL 56 HA -0.01 0.11 0.40 -0.75 4.13 3.87 2h34A1 VAL 56 HB 0.04 -0.03 0.02 -0.04 2.12 2.11 2h34A1 VAL 56 HG13 -0.11 0.02 -0.08 -0.04 0.97 0.76 2h34A1 VAL 56 HG23 0.01 0.00 0.01 -0.04 0.95 0.93 2h34A1 PHE 57 H 0.25 0.07 -0.17 -0.55 8.34 7.94 2h34A1 PHE 57 HA -0.01 0.12 0.63 -0.75 4.62 4.60 2h34A1 PHE 57 HB2 -0.00 -0.02 0.11 -0.04 3.15 3.20 2h34A1 PHE 57 HB3 -0.01 0.05 -0.08 -0.04 3.06 2.99 2h34A1 PHE 57 HD2 -0.01 -0.03 -0.03 -0.04 7.28 7.18 2h34A1 PHE 57 HE2 -0.01 0.02 -0.04 -0.04 7.38 7.31 2h34A1 PHE 57 HZ -0.01 0.02 -0.03 -0.04 7.32 7.27 2h34A1 ARG 58 H 0.14 0.37 -0.10 -0.55 8.46 8.32 2h34A1 ARG 58 HA 0.07 0.04 0.33 -0.75 4.34 4.03 2h34A1 ARG 58 HB2 0.06 0.20 0.04 -0.04 1.90 2.16 2h34A1 ARG 58 HB3 0.05 -0.05 0.19 -0.04 1.80 1.94 2h34A1 ARG 58 HG2 0.04 0.01 -0.20 -0.04 1.67 1.47 2h34A1 ARG 58 HG3 0.05 0.01 0.00 -0.04 1.67 1.68 2h34A1 THR 59 H 0.03 0.56 -0.08 -0.55 8.28 8.24 2h34A1 THR 59 HA 0.01 0.03 0.23 -0.75 4.39 3.90 2h34A1 THR 59 HB -0.01 -0.04 -0.00 -0.04 4.32 4.23 2h34A1 THR 59 HG23 0.01 -0.01 0.04 -0.04 1.22 1.22 2h34A1 ARG 60 H -0.02 0.24 -0.46 -0.55 8.46 7.66 2h34A1 ARG 60 HA -0.05 -0.00 0.34 -0.75 4.34 3.87 2h34A1 GLN 62 HA -0.11 -0.12 0.29 -0.75 4.36 3.67 2h34A1 GLN 62 HB2 0.03 -0.09 0.07 -0.04 2.15 2.13 2h34A1 GLN 62 HB3 0.01 0.06 0.11 -0.04 2.02 2.16 2h34A1 GLN 62 HG2 0.00 0.16 -0.03 -0.04 2.40 2.49 2h34A1 GLN 62 HG3 0.02 -0.07 -0.20 -0.04 2.39 2.10 2h34A1 GLN 62 HE21 0.04 -0.07 -0.08 -0.04 6.97 6.82 2h34A1 GLN 62 HE22 0.05 -0.00 -0.03 -0.04 7.69 7.67 2h34A1 ARG 63 H -0.05 0.45 -1.81 -0.55 8.46 6.50 2h34A1 ARG 63 HA -0.04 0.02 0.71 -0.75 4.34 4.28 2h34A1 GLU 64 H -0.07 0.62 0.38 -0.55 8.60 8.97 2h34A1 GLU 64 HA -0.07 0.10 0.56 -0.75 4.29 4.12 2h34A1 GLU 64 HB2 -0.06 -0.01 0.09 -0.04 2.09 2.07 2h34A1 GLU 64 HB3 -0.06 0.04 0.14 -0.04 1.99 2.06 2h34A1 GLU 64 HG2 -0.07 0.12 0.07 -0.04 2.34 2.42 2h34A1 GLU 64 HG3 -0.07 -0.03 -0.15 -0.04 2.34 2.04 2h34A1 ALA 65 H -0.16 0.19 -0.23 -0.55 8.40 7.64 2h34A1 ALA 65 HA -0.27 0.08 0.56 -0.75 4.34 3.96 2h34A1 ALA 65 HB3 -0.45 0.04 0.02 -0.04 1.41 0.98 2h34A1 ARG 66 H -0.25 0.34 -0.44 -0.55 8.46 7.56 2h34A1 ARG 66 HA -0.20 0.02 0.44 -0.75 4.34 3.84 2h34A1 THR 67 H -0.09 0.28 -0.21 -0.55 8.28 7.70 2h34A1 THR 67 HA -0.02 0.08 0.51 -0.75 4.39 4.21 2h34A1 THR 67 HB -0.02 0.02 -0.02 -0.04 4.32 4.25 2h34A1 THR 67 HG23 -0.03 0.07 0.01 -0.04 1.22 1.23 2h34A1 ALA 68 H -0.10 0.40 -0.30 -0.55 8.40 7.86 2h34A1 ALA 68 HA -0.00 0.01 0.44 -0.75 4.34 4.04 2h34A1 ALA 68 HB3 -0.06 0.04 0.12 -0.04 1.41 1.47 2h34A1 GLY 69 H -0.08 0.43 -0.16 -0.55 8.43 8.07 2h34A1 GLY 69 HA2 0.05 0.04 0.45 -0.51 4.01 4.04 2h34A1 GLY 69 HA3 0.12 0.01 0.29 -0.51 4.01 3.92 2h34A1 ARG 70 H 0.01 0.21 -0.89 -0.55 8.46 7.24 2h34A1 ARG 70 HA 0.04 0.05 0.74 -0.75 4.34 4.42 2h34A1 ARG 70 HB2 0.01 0.17 0.15 -0.04 1.90 2.20 2h34A1 ARG 70 HB3 0.02 -0.11 0.03 -0.04 1.80 1.70 2h34A1 ARG 70 HG2 0.03 -0.10 0.07 -0.04 1.67 1.63 2h34A1 ARG 70 HG3 0.04 0.16 0.02 -0.04 1.67 1.84 2h34A1 ARG 70 HD2 0.01 0.04 0.03 -0.04 3.22 3.26 2h34A1 ARG 70 HD3 0.01 -0.08 0.03 -0.04 3.22 3.14 2h34A1 LEU 71 H 0.02 0.42 -0.18 -0.55 8.37 8.09 2h34A1 LEU 71 HA 0.02 -0.04 0.43 -0.75 4.35 4.01 2h34A1 LEU 71 HB2 0.03 0.26 0.17 -0.04 1.64 2.06 2h34A1 LEU 71 HB3 0.03 -0.22 0.08 -0.04 1.64 1.49 2h34A1 LEU 71 HG 0.02 0.24 0.12 -0.04 1.64 1.98 2h34A1 LEU 71 HD13 0.03 -0.02 0.05 -0.04 0.93 0.96 2h34A1 LEU 71 HD23 0.02 -0.05 -0.09 -0.04 0.89 0.73 2h34A1 GLN 72 H 0.03 -0.03 0.21 -0.55 8.47 8.13 2h34A1 GLN 72 HA 0.03 0.30 0.89 -0.75 4.36 4.83 2h34A1 GLN 72 HB2 0.02 -0.07 0.04 -0.04 2.15 2.10 2h34A1 GLN 72 HB3 0.02 -0.06 0.09 -0.04 2.02 2.04 2h34A1 GLN 72 HG2 0.03 0.03 -0.06 -0.04 2.40 2.36 2h34A1 GLN 72 HG3 0.03 0.20 -0.30 -0.04 2.39 2.28 2h34A1 GLN 72 HE21 0.02 -0.09 0.00 -0.04 6.97 6.85 2h34A1 GLN 72 HE22 0.02 0.18 -0.00 -0.04 7.69 7.85 2h34A1 GLU 73 H 0.04 -0.03 0.11 -0.55 8.60 8.17 2h34A1 GLU 73 HA 0.03 0.09 0.44 -0.75 4.29 4.10 2h34A1 GLU 73 HB2 0.04 -0.03 0.17 -0.04 2.09 2.23 2h34A1 GLU 73 HB3 0.06 -0.01 0.05 -0.04 1.99 2.04 2h34A1 GLU 73 HG2 0.05 0.01 0.04 -0.04 2.34 2.39 2h34A1 GLU 73 HG3 0.05 0.10 -0.10 -0.04 2.34 2.34 2h34A1 PRO 74 HA 0.04 0.26 0.50 -0.51 4.44 4.73 2h34A1 PRO 74 HB2 -0.09 -0.00 0.05 -0.04 2.28 2.20 2h34A1 PRO 74 HB3 -0.02 0.05 0.12 -0.04 2.02 2.13 2h34A1 PRO 74 HG2 -0.34 0.01 0.01 -0.04 2.03 1.67 2h34A1 PRO 74 HG3 -0.05 0.01 0.07 -0.04 2.03 2.03 2h34A1 PRO 74 HD2 0.03 0.01 0.21 -0.04 3.68 3.89 2h34A1 PRO 74 HD3 0.01 0.20 0.24 -0.04 3.65 4.06 2h34A1 HIS 75 H 0.02 0.04 -0.28 -0.55 8.41 7.64 2h34A1 HIS 75 HA -0.11 0.22 0.81 -0.75 4.63 4.79 2h34A1 HIS 75 HB2 -0.10 -0.07 0.13 -0.04 3.26 3.18 2h34A1 HIS 75 HB3 -0.21 0.13 0.30 -0.04 3.20 3.38 2h34A1 HIS 75 HD2 -1.16 0.10 0.07 -0.04 6.97 5.94 2h34A1 HIS 75 HE1 -0.13 -0.03 -0.00 -0.04 7.75 7.54 2h34A1 VAL 76 H 0.14 0.34 -0.38 -0.55 8.24 7.80 2h34A1 VAL 76 HA 0.16 0.16 0.86 -0.75 4.13 4.55 2h34A1 VAL 76 HB 0.06 0.11 0.03 -0.04 2.12 2.28 2h34A1 VAL 76 HG13 0.04 -0.05 -0.05 -0.04 0.97 0.87 2h34A1 VAL 76 HG23 0.07 0.03 -0.03 -0.04 0.95 0.97 2h34A1 VAL 77 H 0.09 0.14 -0.02 -0.55 8.24 7.90 2h34A1 VAL 77 HA -0.12 0.04 0.39 -0.75 4.13 3.68 2h34A1 VAL 77 HB 0.00 -0.07 0.02 -0.04 2.12 2.03 2h34A1 VAL 77 HG13 -0.09 0.06 -0.11 -0.04 0.97 0.79 2h34A1 VAL 77 HG23 -0.14 -0.02 -0.04 -0.04 0.95 0.71 2h34A1 PRO 78 HA 0.01 0.09 0.49 -0.51 4.44 4.52 2h34A1 PRO 78 HB2 -0.08 -0.02 0.02 -0.04 2.28 2.16 2h34A1 PRO 78 HB3 0.03 0.02 0.05 -0.04 2.02 2.08 2h34A1 PRO 78 HG2 0.02 -0.07 0.07 -0.04 2.03 2.01 2h34A1 PRO 78 HG3 0.05 0.08 0.07 -0.04 2.03 2.19 2h34A1 PRO 78 HD2 -0.10 0.04 0.19 -0.04 3.68 3.77 2h34A1 PRO 78 HD3 0.02 0.17 0.19 -0.04 3.65 3.99 2h34A1 ILE 79 H 0.02 0.20 0.12 -0.55 8.25 8.03 2h34A1 ILE 79 HA -0.07 0.17 0.79 -0.75 4.18 4.32 2h34A1 ILE 79 HB 0.08 -0.01 0.10 -0.04 1.89 2.02 2h34A1 ILE 79 HG12 0.00 0.08 -0.23 -0.04 1.49 1.30 2h34A1 ILE 79 HG13 -0.04 -0.06 -0.08 -0.04 1.21 0.99 2h34A1 ILE 79 HG23 0.17 -0.02 -0.19 -0.04 0.93 0.85 2h34A1 ILE 79 HD13 -0.01 0.01 -0.34 -0.04 0.88 0.49 2h34A1 HIS 80 H -0.11 0.56 0.44 -0.55 8.41 8.75 2h34A1 HIS 80 HA 0.07 0.08 0.62 -0.75 4.63 4.64 2h34A1 HIS 80 HB2 0.11 -0.05 0.08 -0.04 3.26 3.36 2h34A1 HIS 80 HB3 0.09 -0.10 -0.04 -0.04 3.20 3.10 2h34A1 HIS 80 HD2 0.05 0.01 -0.14 -0.04 6.97 6.85 2h34A1 HIS 80 HE1 0.04 -0.13 -0.05 -0.04 7.75 7.57 2h34A1 ASP 81 H 0.20 0.48 0.18 -0.55 8.40 8.71 2h34A1 ASP 81 HA -0.06 0.16 0.66 -0.75 4.63 4.64 2h34A1 ASP 81 HB2 0.14 0.08 -0.43 -0.04 2.71 2.46 2h34A1 ASP 81 HB3 0.28 -0.10 -0.15 -0.04 2.70 2.69 2h34A1 PHE 82 H -0.47 0.32 0.21 -0.55 8.34 7.84 2h34A1 PHE 82 HA -0.88 0.08 0.35 -0.75 4.62 3.41 2h34A1 PHE 82 HB2 -0.25 0.09 0.22 -0.04 3.15 3.17 2h34A1 PHE 82 HB3 -0.19 0.05 0.26 -0.04 3.06 3.14 2h34A1 PHE 82 HD2 -0.07 0.01 -0.34 -0.04 7.28 6.83 2h34A1 PHE 82 HE2 -0.02 0.04 -0.09 -0.04 7.38 7.27 2h34A1 PHE 82 HZ -0.01 0.02 -0.05 -0.04 7.32 7.23 2h34A1 GLY 83 H -0.53 0.47 0.29 -0.55 8.43 8.12 2h34A1 GLY 83 HA2 0.02 0.06 0.31 -0.51 4.01 3.90 2h34A1 GLY 83 HA3 -0.01 0.07 0.68 -0.51 4.01 4.23 2h34A1 GLU 84 H 0.16 0.17 0.16 -0.55 8.60 8.54 2h34A1 GLU 84 HA 0.25 0.38 0.97 -0.75 4.29 5.14 2h34A1 GLU 84 HB2 0.09 0.08 -0.13 -0.04 2.09 2.09 2h34A1 GLU 84 HB3 0.09 -0.07 0.03 -0.04 1.99 2.00 2h34A1 GLU 84 HG2 0.08 -0.15 -0.59 -0.04 2.34 1.64 2h34A1 GLU 84 HG3 0.09 0.17 -0.59 -0.04 2.34 1.96 2h34A1 ILE 85 H 0.17 0.74 0.13 -0.55 8.25 8.74 2h34A1 ILE 85 HA 0.04 0.04 0.34 -0.75 4.18 3.85 2h34A1 ILE 85 HB -0.07 0.07 0.05 -0.04 1.89 1.90 2h34A1 ILE 85 HG12 -0.04 -0.01 0.05 -0.04 1.49 1.45 2h34A1 ILE 85 HG13 0.01 -0.00 -0.59 -0.04 1.21 0.59 2h34A1 ILE 85 HG23 -0.03 -0.01 -0.03 -0.04 0.93 0.82 2h34A1 ILE 85 HD13 -0.39 -0.00 -0.09 -0.04 0.88 0.35 2h34A1 ASP 86 H 0.02 0.13 0.05 -0.55 8.40 8.05 2h34A1 ASP 86 HA 0.02 0.01 0.33 -0.75 4.63 4.24 2h34A1 ASP 86 HB2 0.01 0.16 0.08 -0.04 2.71 2.92 2h34A1 ASP 86 HB3 0.01 0.01 0.18 -0.04 2.70 2.85 2h34A1 GLY 87 H 0.04 0.05 -0.20 -0.55 8.43 7.77 2h34A1 GLY 87 HA2 0.04 -0.01 0.28 -0.51 4.01 3.80 2h34A1 GLY 87 HA3 0.03 0.09 0.44 -0.51 4.01 4.06 2h34A1 GLN 88 H 0.04 0.44 -0.81 -0.55 8.47 7.61 2h34A1 GLN 88 HA 0.05 -0.04 0.37 -0.75 4.36 3.98 2h34A1 GLN 88 HB2 0.04 0.05 0.13 -0.04 2.15 2.33 2h34A1 GLN 88 HB3 0.07 0.00 0.03 -0.04 2.02 2.08 2h34A1 GLN 88 HG2 0.06 -0.01 -0.04 -0.04 2.40 2.36 2h34A1 GLN 88 HG3 0.05 0.03 0.06 -0.04 2.39 2.49 2h34A1 GLN 88 HE21 0.01 -0.02 -0.03 -0.04 6.97 6.89 2h34A1 GLN 88 HE22 0.02 0.02 -0.02 -0.04 7.69 7.67 2h34A1 LEU 89 H 0.07 0.09 0.23 -0.55 8.37 8.21 2h34A1 LEU 89 HA 0.15 0.26 1.00 -0.75 4.35 5.00 2h34A1 LEU 89 HB2 0.05 -0.06 0.17 -0.04 1.64 1.76 2h34A1 LEU 89 HB3 0.05 0.07 0.07 -0.04 1.64 1.78 2h34A1 LEU 89 HG 0.05 -0.01 0.06 -0.04 1.64 1.70 2h34A1 LEU 89 HD13 0.05 -0.01 0.02 -0.04 0.93 0.95 2h34A1 LEU 89 HD23 0.08 -0.01 -0.16 -0.04 0.89 0.75 2h34A1 TYR 90 H 0.11 0.41 0.32 -0.55 8.29 8.58 2h34A1 TYR 90 HA 0.01 0.38 1.02 -0.75 4.56 5.21 2h34A1 TYR 90 HB2 -0.02 0.03 -0.08 -0.04 3.06 2.95 2h34A1 TYR 90 HB3 0.03 0.01 -0.24 -0.04 2.98 2.74 2h34A1 TYR 90 HD2 0.03 0.07 -0.31 -0.04 7.15 6.90 2h34A1 TYR 90 HE2 0.12 -0.01 -0.41 -0.04 6.85 6.51 2h34A1 VAL 91 H 0.07 0.56 0.27 -0.55 8.24 8.58 2h34A1 VAL 91 HA -0.03 0.18 0.77 -0.75 4.13 4.30 2h34A1 VAL 91 HB -0.03 -0.07 0.17 -0.04 2.12 2.15 2h34A1 VAL 91 HG13 -0.01 0.01 -0.05 -0.04 0.97 0.88 2h34A1 VAL 91 HG23 -0.09 -0.00 -0.09 -0.04 0.95 0.73 2h34A1 ASP 92 H 0.12 0.73 0.17 -0.55 8.40 8.87 2h34A1 ASP 92 HA 0.03 0.30 0.73 -0.75 4.63 4.93 2h34A1 ASP 92 HB2 0.18 -0.02 -0.11 -0.04 2.71 2.72 2h34A1 ASP 92 HB3 0.29 -0.02 0.05 -0.04 2.70 2.97 2h34A1 ARG 94 HA 0.10 -0.14 0.30 -0.75 4.34 3.84 2h34A1 ARG 94 HB2 -0.10 0.01 0.10 -0.04 1.90 1.86 2h34A1 ARG 94 HB3 -0.13 0.02 0.09 -0.04 1.80 1.74 2h34A1 ARG 94 HG2 -0.07 -0.01 -0.14 -0.04 1.67 1.42 2h34A1 ARG 94 HG3 0.03 -0.03 -0.00 -0.04 1.67 1.63 2h34A1 ARG 94 HD2 0.11 -0.04 0.01 -0.04 3.22 3.26 2h34A1 ARG 94 HD3 0.08 0.03 0.02 -0.04 3.22 3.31 2h34A1 LEU 95 H 0.06 0.15 0.18 -0.55 8.37 8.21 2h34A1 LEU 95 HA 0.01 0.13 0.76 -0.75 4.35 4.49 2h34A1 LEU 95 HB2 0.04 -0.10 -0.15 -0.04 1.64 1.38 2h34A1 LEU 95 HB3 0.04 0.10 0.12 -0.04 1.64 1.86 2h34A1 LEU 95 HG 0.02 0.09 -0.56 -0.04 1.64 1.15 2h34A1 LEU 95 HD13 0.04 -0.01 -0.12 -0.04 0.93 0.80 2h34A1 LEU 95 HD23 0.03 -0.03 -0.16 -0.04 0.89 0.70 2h34A1 ILE 96 H -0.01 0.21 0.14 -0.55 8.25 8.04 2h34A1 ILE 96 HA -0.03 0.15 1.01 -0.75 4.18 4.57 2h34A1 ILE 96 HB -0.11 -0.01 -0.03 -0.04 1.89 1.70 2h34A1 ILE 96 HG12 -0.30 0.09 -0.38 -0.04 1.49 0.86 2h34A1 ILE 96 HG13 -0.99 0.01 -0.16 -0.04 1.21 0.03 2h34A1 ILE 96 HG23 0.08 0.00 -0.18 -0.04 0.93 0.79 2h34A1 ILE 96 HD13 -0.12 0.07 -0.15 -0.04 0.88 0.63 2h34A1 ASN 97 H 0.04 0.10 0.13 -0.55 8.53 8.25 2h34A1 ASN 97 HA 0.04 0.17 0.75 -0.75 4.76 4.97 2h34A1 ASN 97 HB2 0.04 -0.05 0.09 -0.04 2.88 2.93 2h34A1 ASN 97 HB3 0.04 0.00 -0.00 -0.04 2.79 2.79 2h34A1 ASN 97 HD21 0.03 -0.01 -0.01 -0.04 7.03 6.99 2h34A1 ASN 97 HD22 0.03 -0.01 0.01 -0.04 7.74 7.73 2h34A1 GLY 98 H 0.05 0.16 0.15 -0.55 8.43 8.24 2h34A1 GLY 98 HA2 0.05 -0.01 0.31 -0.51 4.01 3.85 2h34A1 GLY 98 HA3 0.07 0.32 0.72 -0.51 4.01 4.61 2h34A1 VAL 99 H 0.04 0.48 0.28 -0.55 8.24 8.49 2h34A1 VAL 99 HA 0.03 0.14 0.95 -0.75 4.13 4.50 2h34A1 VAL 99 HB 0.02 0.02 0.10 -0.04 2.12 2.21 2h34A1 VAL 99 HG13 0.02 -0.02 -0.11 -0.04 0.97 0.83 2h34A1 VAL 99 HG23 0.02 0.02 -0.01 -0.04 0.95 0.94 2h34A1 ASP 100 H 0.02 0.07 0.16 -0.55 8.40 8.10 2h34A1 ASP 100 HA -0.01 0.41 0.69 -0.75 4.63 4.97 2h34A1 ASP 100 HB2 0.01 -0.43 0.06 -0.04 2.71 2.31 2h34A1 ASP 100 HB3 -0.00 -0.06 0.03 -0.04 2.70 2.63 2h34A1 LEU 101 H -0.02 0.59 0.34 -0.55 8.37 8.73 2h34A1 LEU 101 HA -0.02 0.11 0.54 -0.75 4.35 4.23 2h34A1 LEU 101 HB2 -0.04 0.02 0.14 -0.04 1.64 1.72 2h34A1 LEU 101 HB3 -0.04 -0.09 0.22 -0.04 1.64 1.69 2h34A1 LEU 101 HG -0.03 0.02 -0.12 -0.04 1.64 1.47 2h34A1 LEU 101 HD13 -0.03 0.02 0.01 -0.04 0.93 0.88 2h34A1 LEU 101 HD23 -0.06 -0.02 -0.05 -0.04 0.89 0.72 2h34A1 ALA 102 H -0.01 0.11 -0.30 -0.55 8.40 7.65 2h34A1 ALA 102 HA 0.01 0.11 0.36 -0.75 4.34 4.06 2h34A1 ALA 102 HB3 0.02 -0.04 -0.07 -0.04 1.41 1.28 2h34A1 ALA 103 H 0.01 -0.04 -0.44 -0.55 8.40 7.38 2h34A1 ALA 103 HA 0.01 0.03 0.31 -0.75 4.34 3.94 2h34A1 ALA 103 HB3 0.01 0.01 0.10 -0.04 1.41 1.50 2h34A1 LEU 105 HA -0.02 0.17 0.29 -0.75 4.35 4.03 2h34A1 LEU 105 HB2 -0.01 -0.04 0.02 -0.04 1.64 1.57 2h34A1 LEU 105 HB3 -0.02 0.03 -0.11 -0.04 1.64 1.50 2h34A1 LEU 105 HG -0.02 0.06 0.04 -0.04 1.64 1.68 2h34A1 LEU 105 HD13 -0.01 -0.05 -0.23 -0.04 0.93 0.60 2h34A1 LEU 105 HD23 -0.04 0.04 -0.06 -0.04 0.89 0.79 2h34A1 ARG 106 H -0.00 0.48 -0.47 -0.55 8.46 7.92 2h34A1 ARG 106 HA -0.00 -0.01 0.43 -0.75 4.34 4.01 2h34A1 ARG 106 HB2 0.01 0.15 0.16 -0.04 1.90 2.17 2h34A1 ARG 106 HB3 0.01 -0.11 0.03 -0.04 1.80 1.68 2h34A1 ARG 106 HG2 0.01 -0.05 0.05 -0.04 1.67 1.64 2h34A1 ARG 106 HG3 0.01 0.27 0.06 -0.04 1.67 1.98 2h34A1 ARG 106 HD2 0.02 -0.06 0.00 -0.04 3.22 3.14 2h34A1 ARG 106 HD3 0.02 -0.06 -0.02 -0.04 3.22 3.11 2h34A1 ARG 107 H -0.00 0.44 0.21 -0.55 8.46 8.56 2h34A1 ARG 107 HA 0.00 0.08 0.47 -0.75 4.34 4.14 2h34A1 ARG 107 HB2 0.00 0.05 -0.00 -0.04 1.90 1.91 2h34A1 ARG 107 HB3 0.00 -0.09 0.10 -0.04 1.80 1.77 2h34A1 ARG 107 HG2 0.01 -0.08 -0.09 -0.04 1.67 1.47 2h34A1 ARG 107 HG3 0.01 0.44 0.13 -0.04 1.67 2.21 2h34A1 ARG 107 HD2 0.01 -0.04 0.02 -0.04 3.22 3.16 2h34A1 ARG 107 HD3 0.01 -0.06 0.01 -0.04 3.22 3.14 2h34A1 GLN 108 H -0.01 0.22 -0.26 -0.55 8.47 7.87 2h34A1 GLN 108 HA -0.01 0.11 0.89 -0.75 4.36 4.59 2h34A1 GLN 108 HB2 -0.01 0.05 -0.12 -0.04 2.15 2.02 2h34A1 GLN 108 HB3 -0.02 0.06 -0.07 -0.04 2.02 1.95 2h34A1 GLN 108 HG2 -0.01 -0.01 -0.03 -0.04 2.40 2.32 2h34A1 GLN 108 HG3 -0.00 -0.06 -0.26 -0.04 2.39 2.03 2h34A1 GLN 108 HE21 -0.00 -0.05 -0.05 -0.04 6.97 6.83 2h34A1 GLN 108 HE22 0.00 -0.03 -0.07 -0.04 7.69 7.55 2h34A1 GLY 109 H -0.02 0.32 0.02 -0.55 8.43 8.20 2h34A1 GLY 109 HA2 -0.03 0.02 0.35 -0.51 4.01 3.84 2h34A1 GLY 109 HA3 -0.03 0.02 0.59 -0.51 4.01 4.08 2h34A1 PRO 110 HA -0.07 0.09 0.42 -0.51 4.44 4.37 2h34A1 PRO 110 HB2 -0.09 0.12 -0.10 -0.04 2.28 2.17 2h34A1 PRO 110 HB3 -0.10 0.02 -0.40 -0.04 2.02 1.50 2h34A1 PRO 110 HG2 -0.05 -0.08 0.03 -0.04 2.03 1.88 2h34A1 PRO 110 HG3 -0.06 0.03 0.03 -0.04 2.03 1.99 2h34A1 PRO 110 HD2 -0.04 0.02 0.25 -0.04 3.68 3.87 2h34A1 PRO 110 HD3 -0.05 0.10 0.16 -0.04 3.65 3.82 2h34A1 LEU 111 H -0.08 0.67 0.29 -0.55 8.37 8.70 2h34A1 LEU 111 HA -0.05 0.09 0.76 -0.75 4.35 4.40 2h34A1 LEU 111 HB2 -0.07 -0.03 -0.00 -0.04 1.64 1.50 2h34A1 LEU 111 HB3 -0.05 -0.11 -0.00 -0.04 1.64 1.44 2h34A1 LEU 111 HG -0.05 0.09 0.06 -0.04 1.64 1.70 2h34A1 LEU 111 HD13 -0.05 -0.04 -0.10 -0.04 0.93 0.70 2h34A1 LEU 111 HD23 -0.03 0.03 -0.11 -0.04 0.89 0.73 2h34A1 ALA 112 H -0.04 0.11 0.13 -0.55 8.40 8.04 2h34A1 ALA 112 HA -0.05 0.14 0.55 -0.75 4.34 4.22 2h34A1 ALA 112 HB3 -0.03 -0.01 0.13 -0.04 1.41 1.46 2h34A1 PRO 113 HA -0.16 0.09 0.35 -0.51 4.44 4.21 2h34A1 PRO 113 HB2 -0.03 0.00 0.12 -0.04 2.28 2.34 2h34A1 PRO 113 HB3 -0.30 0.02 0.10 -0.04 2.02 1.81 2h34A1 PRO 113 HG2 -0.08 0.18 0.18 -0.04 2.03 2.27 2h34A1 PRO 113 HG3 -0.18 0.08 0.10 -0.04 2.03 1.99 2h34A1 PRO 113 HD2 -0.05 0.04 0.24 -0.04 3.68 3.87 2h34A1 PRO 113 HD3 -0.08 0.18 0.27 -0.04 3.65 3.98 2h34A1 PRO 114 HA 0.04 0.08 0.44 -0.51 4.44 4.49 2h34A1 PRO 114 HB2 0.00 0.01 -0.04 -0.04 2.28 2.22 2h34A1 PRO 114 HB3 0.02 0.04 0.06 -0.04 2.02 2.11 2h34A1 PRO 114 HG2 0.00 0.04 0.04 -0.04 2.03 2.07 2h34A1 PRO 114 HG3 0.02 0.07 0.06 -0.04 2.03 2.14 2h34A1 PRO 114 HD2 -0.02 0.03 -0.12 -0.04 3.68 3.53 2h34A1 PRO 114 HD3 -0.01 0.17 0.13 -0.04 3.65 3.90 2h34A1 ARG 115 H -0.02 0.24 -0.37 -0.55 8.46 7.75 2h34A1 ARG 115 HA -0.02 0.03 0.48 -0.75 4.34 4.07 2h34A1 ARG 115 HB2 -0.02 -0.08 0.08 -0.04 1.90 1.83 2h34A1 ARG 115 HB3 -0.04 0.17 0.06 -0.04 1.80 1.95 2h34A1 ARG 115 HG2 -0.03 0.04 -0.10 -0.04 1.67 1.54 2h34A1 ARG 115 HG3 -0.02 -0.03 0.03 -0.04 1.67 1.61 2h34A1 ARG 115 HD2 -0.01 -0.04 -0.00 -0.04 3.22 3.12 2h34A1 ARG 115 HD3 -0.02 -0.01 0.02 -0.04 3.22 3.17 2h34A1 ALA 116 H -0.06 0.50 -0.15 -0.55 8.40 8.15 2h34A1 ALA 116 HA -0.06 0.01 0.33 -0.75 4.34 3.86 2h34A1 ALA 116 HB3 -0.10 0.06 -0.01 -0.04 1.41 1.32 2h34A1 VAL 117 H -0.02 0.69 -0.18 -0.55 8.24 8.18 2h34A1 VAL 117 HA 0.01 -0.03 0.29 -0.75 4.13 3.64 2h34A1 VAL 117 HB 0.07 0.08 0.10 -0.04 2.12 2.33 2h34A1 VAL 117 HG13 0.11 -0.03 -0.16 -0.04 0.97 0.85 2h34A1 VAL 117 HG23 0.15 0.08 -0.11 -0.04 0.95 1.02 2h34A1 ALA 118 H -0.01 0.68 -0.08 -0.55 8.40 8.44 2h34A1 ALA 118 HA -0.06 -0.08 0.34 -0.75 4.34 3.79 2h34A1 ALA 118 HB3 -0.04 0.03 0.15 -0.04 1.41 1.50 2h34A1 ILE 119 H -0.06 0.65 -0.23 -0.55 8.25 8.06 2h34A1 ILE 119 HA -0.14 -0.00 0.46 -0.75 4.18 3.74 2h34A1 ILE 119 HB -0.07 0.13 0.13 -0.04 1.89 2.04 2h34A1 ILE 119 HG12 -0.07 -0.06 -0.06 -0.04 1.49 1.26 2h34A1 ILE 119 HG13 -0.07 -0.00 0.00 -0.04 1.21 1.10 2h34A1 ILE 119 HG23 -0.08 -0.03 -0.14 -0.04 0.93 0.63 2h34A1 ILE 119 HD13 -0.04 -0.00 -0.10 -0.04 0.88 0.69 2h34A1 VAL 120 H -0.07 0.77 0.06 -0.55 8.24 8.44 2h34A1 VAL 120 HA -0.09 -0.06 0.33 -0.75 4.13 3.56 2h34A1 VAL 120 HB -0.04 0.09 0.13 -0.04 2.12 2.25 2h34A1 VAL 120 HG13 -0.05 -0.03 -0.13 -0.04 0.97 0.72 2h34A1 VAL 120 HG23 -0.04 0.03 -0.00 -0.04 0.95 0.89 2h34A1 ARG 121 H -0.10 0.81 -0.21 -0.55 8.46 8.41 2h34A1 ARG 121 HA -0.12 -0.08 0.32 -0.75 4.34 3.71 2h34A1 ARG 121 HB2 -0.09 0.06 0.04 -0.04 1.90 1.87 2h34A1 ARG 121 HB3 -0.15 0.14 0.12 -0.04 1.80 1.87 2h34A1 ARG 121 HG2 -0.15 -0.05 -0.10 -0.04 1.67 1.33 2h34A1 ARG 121 HG3 -0.12 -0.08 0.00 -0.04 1.67 1.43 2h34A1 ARG 121 HD2 -0.14 0.02 -0.04 -0.04 3.22 3.03 2h34A1 ARG 121 HD3 -0.15 -0.05 -0.04 -0.04 3.22 2.93 2h34A1 GLN 122 H -0.27 0.54 -0.03 -0.55 8.47 8.16 2h34A1 GLN 122 HA -0.70 -0.04 0.44 -0.75 4.36 3.32 2h34A1 GLN 122 HB2 -0.44 0.12 0.18 -0.04 2.15 1.97 2h34A1 GLN 122 HB3 -1.19 0.04 0.11 -0.04 2.02 0.94 2h34A1 GLN 122 HG2 -0.64 -0.09 0.09 -0.04 2.40 1.71 2h34A1 GLN 122 HG3 -0.36 0.17 0.18 -0.04 2.39 2.33 2h34A1 GLN 122 HE21 -0.20 0.53 0.21 -0.04 6.97 7.47 2h34A1 GLN 122 HE22 -0.21 0.18 -0.13 -0.04 7.69 7.50 2h34A1 ILE 123 H -0.22 0.53 -0.10 -0.55 8.25 7.91 2h34A1 ILE 123 HA -0.14 0.08 0.58 -0.75 4.18 3.94 2h34A1 ILE 123 HB -0.12 0.10 0.07 -0.04 1.89 1.90 2h34A1 ILE 123 HG12 -0.09 -0.00 -0.10 -0.04 1.49 1.26 2h34A1 ILE 123 HG13 -0.11 -0.01 -0.21 -0.04 1.21 0.85 2h34A1 ILE 123 HG23 -0.09 -0.02 -0.15 -0.04 0.93 0.63 2h34A1 ILE 123 HD13 -0.13 0.02 -0.11 -0.04 0.88 0.63 2h34A1 GLY 124 H -0.13 0.77 -0.03 -0.55 8.43 8.50 2h34A1 GLY 124 HA2 -0.07 -0.02 0.38 -0.51 4.01 3.78 2h34A1 GLY 124 HA3 -0.09 0.10 0.26 -0.51 4.01 3.77 2h34A1 SER 125 H -0.15 0.50 -0.37 -0.55 8.46 7.89 2h34A1 SER 125 HA -0.05 -0.07 0.42 -0.75 4.49 4.04 2h34A1 SER 125 HB2 -0.12 0.07 0.12 -0.04 3.95 3.98 2h34A1 SER 125 HB3 -0.18 0.27 0.20 -0.04 3.93 4.18 2h34A1 ALA 126 H -0.09 0.47 -0.10 -0.55 8.40 8.14 2h34A1 ALA 126 HA 0.01 -0.05 0.39 -0.75 4.34 3.94 2h34A1 ALA 126 HB3 -0.02 0.05 0.10 -0.04 1.41 1.50 2h34A1 LEU 127 H -0.08 0.68 -0.11 -0.55 8.37 8.30 2h34A1 LEU 127 HA -0.14 0.04 0.43 -0.75 4.35 3.93 2h34A1 LEU 127 HB2 -0.06 0.06 0.17 -0.04 1.64 1.77 2h34A1 LEU 127 HB3 -0.04 -0.10 0.00 -0.04 1.64 1.47 2h34A1 LEU 127 HG -0.11 0.19 -0.01 -0.04 1.64 1.67 2h34A1 LEU 127 HD13 -0.04 -0.04 -0.13 -0.04 0.93 0.68 2h34A1 LEU 127 HD23 -0.18 -0.00 0.00 -0.04 0.89 0.67 2h34A1 ASP 128 H -0.03 0.76 -0.01 -0.55 8.40 8.57 2h34A1 ASP 128 HA 0.03 -0.05 0.44 -0.75 4.63 4.29 2h34A1 ASP 128 HB2 -0.01 0.21 0.21 -0.04 2.71 3.08 2h34A1 ASP 128 HB3 0.02 -0.02 0.01 -0.04 2.70 2.66 2h34A1 ALA 129 H 0.01 0.54 -0.18 -0.55 8.40 8.22 2h34A1 ALA 129 HA 0.03 -0.02 0.40 -0.75 4.34 3.99 2h34A1 ALA 129 HB3 0.02 0.03 0.14 -0.04 1.41 1.56 2h34A1 ALA 130 H 0.01 0.51 -0.16 -0.55 8.40 8.22 2h34A1 ALA 130 HA 0.04 0.05 0.36 -0.75 4.34 4.04 2h34A1 ALA 130 HB3 0.04 0.08 0.16 -0.04 1.41 1.64 2h34A1 HIS 131 H 0.14 0.57 0.02 -0.55 8.41 8.60 2h34A1 HIS 131 HA 0.02 -0.09 0.31 -0.75 4.63 4.12 2h34A1 HIS 131 HB2 0.02 -0.04 0.15 -0.04 3.26 3.35 2h34A1 HIS 131 HB3 0.01 0.14 0.18 -0.04 3.20 3.48 2h34A1 HIS 131 HD2 0.01 0.00 -0.11 -0.04 6.97 6.82 2h34A1 HIS 131 HE1 -0.00 0.05 -0.02 -0.04 7.75 7.73 2h34A1 ALA 132 H 0.08 0.51 -0.31 -0.55 8.40 8.14 2h34A1 ALA 132 HA -0.03 -0.01 0.36 -0.75 4.34 3.90 2h34A1 ALA 132 HB3 0.04 -0.00 0.11 -0.04 1.41 1.52 2h34A1 ALA 133 H -0.01 0.51 -0.18 -0.55 8.40 8.18 2h34A1 ALA 133 HA -0.02 0.10 0.81 -0.75 4.34 4.47 2h34A1 ALA 133 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 2h34A1 GLY 134 H -0.10 0.39 -0.32 -0.55 8.43 7.85 2h34A1 GLY 134 HA2 -0.14 0.01 0.32 -0.51 4.01 3.69 2h34A1 GLY 134 HA3 -0.07 0.04 0.40 -0.51 4.01 3.87 2h34A1 ALA 135 H -0.02 0.43 -0.18 -0.55 8.40 8.07 2h34A1 ALA 135 HA -0.02 0.16 0.64 -0.75 4.34 4.36 2h34A1 ALA 135 HB3 0.02 0.01 -0.01 -0.04 1.41 1.39 2h34A1 THR 136 H 0.00 0.15 -0.17 -0.55 8.28 7.72 2h34A1 THR 136 HA 0.17 -0.05 0.33 -0.75 4.39 4.09 2h34A1 THR 136 HB 0.07 0.04 0.03 -0.04 4.32 4.42 2h34A1 THR 136 HG23 0.24 0.03 -0.01 -0.04 1.22 1.43 2h34A1 HIS 137 H 0.29 0.09 0.23 -0.55 8.41 8.47 2h34A1 HIS 137 HA 0.01 0.12 0.71 -0.75 4.63 4.72 2h34A1 HIS 137 HB2 0.02 -0.09 0.22 -0.04 3.26 3.37 2h34A1 HIS 137 HB3 0.01 0.10 0.11 -0.04 3.20 3.38 2h34A1 HIS 137 HD2 0.01 0.21 0.06 -0.04 6.97 7.22 2h34A1 HIS 137 HE1 -0.00 -0.01 -0.09 -0.04 7.75 7.60 2h34A1 ARG 138 H 0.00 0.21 0.15 -0.55 8.46 8.28 2h34A1 ARG 138 HA 0.06 0.01 0.48 -0.75 4.34 4.14 2h34A1 ARG 138 HB2 -0.00 -0.00 0.10 -0.04 1.90 1.95 2h34A1 ARG 138 HB3 0.01 0.05 0.02 -0.04 1.80 1.83 2h34A1 ARG 138 HG2 0.05 0.00 0.06 -0.04 1.67 1.74 2h34A1 ARG 138 HG3 0.00 0.03 0.03 -0.04 1.67 1.69 2h34A1 ARG 138 HD2 -0.02 -0.01 0.01 -0.04 3.22 3.16 2h34A1 ARG 138 HD3 -0.00 0.03 0.01 -0.04 3.22 3.22 2h34A1 ASP 139 H 0.11 0.13 -0.44 -0.55 8.40 7.65 2h34A1 ASP 139 HA 0.08 0.06 0.30 -0.75 4.63 4.31 2h34A1 ASP 139 HB2 0.09 -0.03 0.09 -0.04 2.71 2.82 2h34A1 ASP 139 HB3 0.05 0.32 -0.11 -0.04 2.70 2.91 2h34A1 VAL 140 H 0.06 0.38 0.16 -0.55 8.24 8.28 2h34A1 VAL 140 HA 0.01 0.17 0.76 -0.75 4.13 4.31 2h34A1 VAL 140 HB -0.07 -0.00 -0.19 -0.04 2.12 1.81 2h34A1 VAL 140 HG13 -0.06 0.03 -0.06 -0.04 0.97 0.83 2h34A1 VAL 140 HG23 0.01 0.02 -0.22 -0.04 0.95 0.71 2h34A1 LYS 141 H -0.07 0.26 0.13 -0.55 8.42 8.19 2h34A1 LYS 141 HA -0.54 0.27 0.77 -0.75 4.32 4.06 2h34A1 LYS 141 HB2 -0.05 0.03 0.01 -0.04 1.87 1.83 2h34A1 LYS 141 HB3 -0.06 -0.09 0.06 -0.04 1.79 1.66 2h34A1 LYS 141 HG2 0.10 -0.02 0.01 -0.04 1.46 1.52 2h34A1 LYS 141 HG3 0.01 0.04 -0.30 -0.04 1.46 1.17 2h34A1 LYS 141 HD2 0.05 0.05 -0.09 -0.04 1.69 1.66 2h34A1 LYS 141 HD3 0.02 0.03 -0.11 -0.04 1.68 1.58 2h34A1 LYS 141 HE2 0.10 -0.09 -0.07 -0.04 2.99 2.90 2h34A1 LYS 141 HE3 0.06 0.31 -0.06 -0.04 2.99 3.26 2h34A1 PRO 142 HA -0.11 0.14 0.51 -0.51 4.44 4.47 2h34A1 PRO 142 HB2 -0.03 -0.03 -0.01 -0.04 2.28 2.17 2h34A1 PRO 142 HB3 -0.05 0.10 -0.03 -0.04 2.02 1.99 2h34A1 PRO 142 HG2 -0.01 0.11 -0.00 -0.04 2.03 2.09 2h34A1 PRO 142 HG3 -0.15 0.11 -0.00 -0.04 2.03 1.95 2h34A1 PRO 142 HD2 -0.30 0.08 0.18 -0.04 3.68 3.60 2h34A1 PRO 142 HD3 -0.98 0.25 0.09 -0.04 3.65 2.96 2h34A1 GLU 143 H -0.05 0.16 -0.25 -0.55 8.60 7.91 2h34A1 GLU 143 HA -0.02 -0.00 0.50 -0.75 4.29 4.02 2h34A1 GLU 143 HB2 0.01 0.08 -0.02 -0.04 2.09 2.12 2h34A1 GLU 143 HB3 0.02 0.00 0.13 -0.04 1.99 2.10 2h34A1 GLU 143 HG2 0.05 0.04 0.02 -0.04 2.34 2.41 2h34A1 GLU 143 HG3 0.03 -0.06 0.00 -0.04 2.34 2.26 2h34A1 ASN 144 H -0.07 0.47 -0.61 -0.55 8.53 7.77 2h34A1 ASN 144 HA -0.13 0.30 0.90 -0.75 4.76 5.08 2h34A1 ASN 144 HB2 -0.06 0.02 0.18 -0.04 2.88 2.97 2h34A1 ASN 144 HB3 -0.05 0.16 0.33 -0.04 2.79 3.18 2h34A1 ASN 144 HD21 -0.00 -0.08 -0.23 -0.04 7.03 6.67 2h34A1 ASN 144 HD22 -0.08 0.28 0.05 -0.04 7.74 7.94 2h34A1 ILE 145 H -0.06 0.36 -0.18 -0.55 8.25 7.82 2h34A1 ILE 145 HA -0.04 0.30 0.98 -0.75 4.18 4.66 2h34A1 ILE 145 HB -0.06 -0.02 0.27 -0.04 1.89 2.05 2h34A1 ILE 145 HG12 -0.07 0.05 -0.10 -0.04 1.49 1.32 2h34A1 ILE 145 HG13 -0.08 0.00 -0.28 -0.04 1.21 0.81 2h34A1 ILE 145 HG23 -0.05 -0.00 -0.17 -0.04 0.93 0.67 2h34A1 ILE 145 HD13 -0.09 -0.03 -0.14 -0.04 0.88 0.58 2h34A1 LEU 146 H 0.03 0.53 0.22 -0.55 8.37 8.60 2h34A1 LEU 146 HA 0.02 0.19 0.68 -0.75 4.35 4.49 2h34A1 LEU 146 HB2 -0.01 0.00 -0.23 -0.04 1.64 1.35 2h34A1 LEU 146 HB3 0.13 -0.05 0.04 -0.04 1.64 1.72 2h34A1 LEU 146 HG 0.11 0.06 -0.53 -0.04 1.64 1.24 2h34A1 LEU 146 HD13 0.03 0.01 -0.50 -0.04 0.93 0.43 2h34A1 LEU 146 HD23 0.03 0.00 -0.30 -0.04 0.89 0.58 2h34A1 VAL 147 H 0.04 0.74 0.21 -0.55 8.24 8.68 2h34A1 VAL 147 HA 0.06 0.19 0.64 -0.75 4.13 4.27 2h34A1 VAL 147 HB 0.02 0.01 0.10 -0.04 2.12 2.21 2h34A1 VAL 147 HG13 0.02 0.01 -0.18 -0.04 0.97 0.78 2h34A1 VAL 147 HG23 -0.01 -0.00 -0.24 -0.04 0.95 0.66 2h34A1 SER 148 H 0.16 0.91 0.25 -0.55 8.46 9.23 2h34A1 SER 148 HA 0.10 0.18 0.71 -0.75 4.49 4.73 2h34A1 SER 148 HB2 0.23 -0.04 0.09 -0.04 3.95 4.19 2h34A1 SER 148 HB3 0.12 -0.26 0.19 -0.04 3.93 3.94 2h34A1 ALA 149 H 0.07 0.14 0.09 -0.55 8.40 8.16 2h34A1 ALA 149 HA 0.04 0.06 0.36 -0.75 4.34 4.05 2h34A1 ALA 149 HB3 0.03 0.00 0.12 -0.04 1.41 1.52 2h34A1 ASP 150 H 0.08 0.11 -0.07 -0.55 8.40 7.98 2h34A1 ASP 150 HA 0.04 0.21 0.70 -0.75 4.63 4.83 2h34A1 ASP 150 HB2 0.07 -0.04 0.12 -0.04 2.71 2.82 2h34A1 ASP 150 HB3 0.06 0.04 0.17 -0.04 2.70 2.92 2h34A1 ASP 151 H 0.05 0.53 -0.28 -0.55 8.40 8.15 2h34A1 ASP 151 HA 0.03 0.08 0.18 -0.75 4.63 4.16 2h34A1 ASP 151 HB2 0.01 0.11 -0.33 -0.04 2.71 2.47 2h34A1 ASP 151 HB3 -0.02 -0.02 0.18 -0.04 2.70 2.81 2h34A1 PHE 152 H 0.18 -0.02 -0.59 -0.55 8.34 7.36 2h34A1 PHE 152 HA -0.03 0.17 0.64 -0.75 4.62 4.64 2h34A1 PHE 152 HB2 -0.02 -0.06 -0.09 -0.04 3.15 2.94 2h34A1 PHE 152 HB3 -0.02 -0.11 -0.01 -0.04 3.06 2.88 2h34A1 PHE 152 HD2 -0.29 -0.03 -0.25 -0.04 7.28 6.67 2h34A1 PHE 152 HE2 -0.61 0.05 -0.07 -0.04 7.38 6.71 2h34A1 PHE 152 HZ -0.48 0.05 -0.11 -0.04 7.32 6.74 2h34A1 ALA 153 H -0.52 0.19 0.17 -0.55 8.40 7.69 2h34A1 ALA 153 HA 0.00 0.46 1.06 -0.75 4.34 5.11 2h34A1 ALA 153 HB3 -0.14 -0.01 -0.09 -0.04 1.41 1.13 2h34A1 TYR 154 H 0.19 0.50 0.30 -0.55 8.29 8.73 2h34A1 TYR 154 HA 0.08 0.26 1.00 -0.75 4.56 5.15 2h34A1 TYR 154 HB2 0.04 -0.06 -0.01 -0.04 3.06 2.99 2h34A1 TYR 154 HB3 0.04 0.05 -0.22 -0.04 2.98 2.81 2h34A1 TYR 154 HD2 0.13 -0.00 -0.38 -0.04 7.15 6.86 2h34A1 TYR 154 HE2 0.10 0.05 -0.15 -0.04 6.85 6.81 2h34A1 LEU 155 H 0.10 0.64 0.33 -0.55 8.37 8.89 2h34A1 LEU 155 HA -0.03 0.22 0.97 -0.75 4.35 4.76 2h34A1 LEU 155 HB2 -0.07 -0.07 0.16 -0.04 1.64 1.62 2h34A1 LEU 155 HB3 -0.03 0.00 0.25 -0.04 1.64 1.82 2h34A1 LEU 155 HG -0.06 0.06 -0.25 -0.04 1.64 1.35 2h34A1 LEU 155 HD13 -0.08 0.02 0.05 -0.04 0.93 0.88 2h34A1 LEU 155 HD23 -0.43 -0.02 -0.06 -0.04 0.89 0.33 2h34A1 VAL 156 H -0.10 0.69 0.30 -0.55 8.24 8.58 2h34A1 VAL 156 HA -0.10 0.18 0.93 -0.75 4.13 4.38 2h34A1 VAL 156 HB -1.18 -0.10 -0.02 -0.04 2.12 0.78 2h34A1 VAL 156 HG13 -0.17 0.01 -0.19 -0.04 0.97 0.58 2h34A1 VAL 156 HG23 -0.37 0.03 -0.13 -0.04 0.95 0.44 2h34A1 ASP 157 H -0.01 0.15 0.07 -0.55 8.40 8.07 2h34A1 ASP 157 HA 0.04 0.22 0.68 -0.75 4.63 4.82 2h34A1 ASP 157 HB2 0.07 -0.00 0.17 -0.04 2.71 2.91 2h34A1 ASP 157 HB3 0.12 0.04 0.04 -0.04 2.70 2.86 2h34A1 PHE 158 H -0.45 0.20 -0.45 -0.55 8.34 7.09 2h34A1 PHE 158 HA 0.00 0.23 0.56 -0.75 4.62 4.67 2h34A1 PHE 158 HB2 -0.01 -0.44 -0.18 -0.04 3.15 2.48 2h34A1 PHE 158 HB3 -0.01 0.07 -0.26 -0.04 3.06 2.81 2h34A1 PHE 158 HD2 -0.01 -0.02 -0.24 -0.04 7.28 6.97 2h34A1 PHE 158 HE2 -0.02 0.05 -0.09 -0.04 7.38 7.28 2h34A1 PHE 158 HZ -0.03 0.06 -0.08 -0.04 7.32 7.23 2h34A1 GLY 159 H 0.25 -0.11 -0.10 -0.55 8.43 7.93 2h34A1 GLY 159 HA2 0.05 0.34 0.78 -0.51 4.01 4.67 2h34A1 GLY 159 HA3 0.08 -0.01 0.41 -0.51 4.01 3.98 2h34A1 ILE 160 H 0.07 0.16 0.11 -0.55 8.25 8.04 2h34A1 ILE 160 HA 0.10 0.05 0.21 -0.75 4.18 3.80 2h34A1 ILE 160 HB 0.05 0.02 0.09 -0.04 1.89 2.00 2h34A1 ILE 160 HG12 0.08 0.08 0.14 -0.04 1.49 1.76 2h34A1 ILE 160 HG13 0.05 0.02 -0.23 -0.04 1.21 1.01 2h34A1 ILE 160 HG23 0.04 0.01 0.09 -0.04 0.93 1.03 2h34A1 ILE 160 HD13 0.04 -0.01 0.02 -0.04 0.88 0.90 2h34A1 GLY 177 HA2 0.07 -0.11 0.13 -0.51 4.01 3.60 2h34A1 GLY 177 HA3 0.05 0.01 0.06 -0.51 4.01 3.61 2h34A1 THR 178 H 0.16 0.14 0.08 -0.55 8.28 8.11 2h34A1 THR 178 HA 0.03 0.30 0.98 -0.75 4.39 4.95 2h34A1 THR 178 HB -0.13 -0.11 0.03 -0.04 4.32 4.06 2h34A1 THR 178 HG23 0.05 0.03 -0.09 -0.04 1.22 1.17 2h34A1 LEU 179 H -0.06 0.16 0.12 -0.55 8.37 8.04 2h34A1 LEU 179 HA 0.12 0.15 0.22 -0.75 4.35 4.08 2h34A1 LEU 179 HB2 -0.09 -0.08 0.10 -0.04 1.64 1.53 2h34A1 LEU 179 HB3 0.10 0.08 -0.00 -0.04 1.64 1.77 2h34A1 LEU 179 HG 0.29 0.08 0.00 -0.04 1.64 1.97 2h34A1 LEU 179 HD13 0.05 -0.02 0.00 -0.04 0.93 0.92 2h34A1 LEU 179 HD23 -0.01 -0.02 0.03 -0.04 0.89 0.84 2h34A1 TYR 180 H -0.17 -0.02 -0.43 -0.55 8.29 7.12 2h34A1 TYR 180 HA -0.00 0.11 0.31 -0.75 4.56 4.23 2h34A1 TYR 180 HB2 -0.75 -0.03 -0.01 -0.04 3.06 2.22 2h34A1 TYR 180 HB3 -0.77 0.02 0.03 -0.04 2.98 2.22 2h34A1 TYR 180 HD2 0.03 0.09 0.01 -0.04 7.15 7.24 2h34A1 TYR 180 HE2 0.03 0.02 -0.00 -0.04 6.85 6.86 2h34A1 TYR 181 H 0.19 0.27 -0.44 -0.55 8.29 7.77 2h34A1 TYR 181 HA 0.28 0.22 0.74 -0.75 4.56 5.06 2h34A1 TYR 181 HB2 0.12 0.01 0.13 -0.04 3.06 3.29 2h34A1 TYR 181 HB3 0.14 -0.03 0.18 -0.04 2.98 3.23 2h34A1 TYR 181 HD2 0.15 0.05 -0.03 -0.04 7.15 7.27 2h34A1 TYR 181 HE2 0.15 -0.01 -0.12 -0.04 6.85 6.84 2h34A1 ALA 183 HA -1.75 0.10 0.22 -0.75 4.34 2.16 2h34A1 ALA 183 HB3 -0.52 -0.02 0.12 -0.04 1.41 0.95 2h34A1 PRO 184 HA 0.29 0.06 0.44 -0.51 4.44 4.72 2h34A1 PRO 184 HB2 -0.03 -0.01 0.04 -0.04 2.28 2.23 2h34A1 PRO 184 HB3 0.08 -0.04 0.01 -0.04 2.02 2.03 2h34A1 PRO 184 HG2 0.03 0.14 0.10 -0.04 2.03 2.26 2h34A1 PRO 184 HG3 0.09 0.13 -0.19 -0.04 2.03 2.03 2h34A1 PRO 184 HD2 -0.27 0.10 0.22 -0.04 3.68 3.68 2h34A1 PRO 184 HD3 -0.63 0.20 0.17 -0.04 3.65 3.34 2h34A1 GLU 185 H -0.29 0.22 -0.12 -0.55 8.60 7.87 2h34A1 GLU 185 HA -0.19 -0.02 0.18 -0.75 4.29 3.50 2h34A1 GLU 185 HB2 -0.55 0.05 0.03 -0.04 2.09 1.57 2h34A1 GLU 185 HB3 -0.30 -0.01 0.07 -0.04 1.99 1.71 2h34A1 GLU 185 HG2 -0.72 0.07 -0.25 -0.04 2.34 1.39 2h34A1 GLU 185 HG3 -1.20 -0.00 -0.18 -0.04 2.34 0.91 2h34A1 ARG 186 H -0.47 0.26 -0.80 -0.55 8.46 6.90 2h34A1 ARG 186 HA -0.22 0.09 0.50 -0.75 4.34 3.95 2h34A1 ARG 186 HB2 -0.78 0.19 0.01 -0.04 1.90 1.28 2h34A1 ARG 186 HB3 -0.34 -0.08 0.02 -0.04 1.80 1.36 2h34A1 ARG 186 HG2 -0.17 -0.07 -0.05 -0.04 1.67 1.33 2h34A1 ARG 186 HG3 -0.38 0.01 -0.05 -0.04 1.67 1.20 2h34A1 ARG 186 HD2 -0.10 0.01 0.02 -0.04 3.22 3.11 2h34A1 ARG 186 HD3 -0.27 0.14 -0.08 -0.04 3.22 2.97 2h34A1 PHE 187 H -0.29 0.55 -0.05 -0.55 8.34 8.00 2h34A1 PHE 187 HA -0.05 0.06 0.49 -0.75 4.62 4.37 2h34A1 PHE 187 HB2 -0.06 0.02 0.08 -0.04 3.15 3.15 2h34A1 PHE 187 HB3 -0.04 -0.10 0.08 -0.04 3.06 2.96 2h34A1 PHE 187 HD2 -0.07 0.00 0.07 -0.04 7.28 7.23 2h34A1 PHE 187 HE2 -0.10 -0.06 -0.14 -0.04 7.38 7.04 2h34A1 PHE 187 HZ -0.09 0.02 -0.07 -0.04 7.32 7.14 2h34A1 SER 188 H 0.01 0.19 -0.24 -0.55 8.46 7.87 2h34A1 SER 188 HA 0.03 0.16 0.63 -0.75 4.49 4.56 2h34A1 SER 188 HB2 0.04 0.02 -0.11 -0.04 3.95 3.86 2h34A1 SER 188 HB3 0.01 -0.02 0.04 -0.04 3.93 3.92 2h34A1 GLU 189 H 0.01 0.04 0.04 -0.55 8.60 8.14 2h34A1 GLU 189 HA 0.05 0.33 0.72 -0.75 4.29 4.63 2h34A1 GLU 189 HB2 0.02 -0.05 0.10 -0.04 2.09 2.11 2h34A1 GLU 189 HB3 0.03 -0.00 0.08 -0.04 1.99 2.06 2h34A1 GLU 189 HG2 0.02 -0.04 0.00 -0.04 2.34 2.28 2h34A1 GLU 189 HG3 0.04 0.10 -0.01 -0.04 2.34 2.43 2h34A1 TYR 194 HA 0.01 -0.08 0.21 -0.75 4.56 3.94 2h34A1 TYR 194 HB2 -0.02 0.01 -0.16 -0.04 3.06 2.85 2h34A1 TYR 194 HB3 -0.01 -0.02 -0.04 -0.04 2.98 2.86 2h34A1 TYR 194 HD2 -0.03 -0.07 -4.30 -0.04 7.15 2.72 2h34A1 TYR 194 HE2 -0.05 0.03 0.30 -0.04 6.85 7.09 2h34A1 ARG 195 H 0.11 0.19 0.07 -0.55 8.46 8.26 2h34A1 ARG 195 HA 0.09 0.17 0.89 -0.75 4.34 4.74 2h34A1 ALA 196 H 0.14 0.26 0.04 -0.55 8.40 8.30 2h34A1 ALA 196 HA 0.06 0.14 0.56 -0.75 4.34 4.34 2h34A1 ALA 196 HB3 0.01 0.07 0.12 -0.04 1.41 1.57 2h34A1 ASP 197 H 0.07 0.13 -0.18 -0.55 8.40 7.88 2h34A1 ASP 197 HA 0.08 0.05 0.32 -0.75 4.63 4.34 2h34A1 ASP 197 HB2 0.03 -0.06 -0.07 -0.04 2.71 2.58 2h34A1 ASP 197 HB3 0.09 0.17 -0.04 -0.04 2.70 2.88 2h34A1 ILE 198 H 0.06 0.20 -0.29 -0.55 8.25 7.66 2h34A1 ILE 198 HA 0.04 -0.07 0.37 -0.75 4.18 3.76 2h34A1 ILE 198 HB 0.08 0.18 0.01 -0.04 1.89 2.12 2h34A1 ILE 198 HG12 0.02 -0.16 -0.49 -0.04 1.49 0.83 2h34A1 ILE 198 HG13 0.00 -0.14 -0.12 -0.04 1.21 0.91 2h34A1 ILE 198 HG23 0.13 0.09 -0.18 -0.04 0.93 0.92 2h34A1 ILE 198 HD13 -0.01 0.07 -0.19 -0.04 0.88 0.71 2h34A1 TYR 199 H 0.20 0.16 -0.25 -0.55 8.29 7.85 2h34A1 TYR 199 HA 0.07 0.36 0.48 -0.75 4.56 4.72 2h34A1 TYR 199 HB2 0.03 -0.04 0.18 -0.04 3.06 3.19 2h34A1 TYR 199 HB3 0.02 0.16 0.24 -0.04 2.98 3.36 2h34A1 TYR 199 HD2 0.04 0.08 -0.29 -0.04 7.15 6.95 2h34A1 TYR 199 HE2 0.10 0.04 -0.10 -0.04 6.85 6.84 2h34A1 ALA 200 H 0.24 0.41 0.05 -0.55 8.40 8.55 2h34A1 ALA 200 HA 0.31 0.12 0.47 -0.75 4.34 4.48 2h34A1 ALA 200 HB3 0.13 0.06 0.26 -0.04 1.41 1.82 2h34A1 LEU 201 H 0.07 0.69 -0.13 -0.55 8.37 8.45 2h34A1 LEU 201 HA 0.00 -0.07 0.25 -0.75 4.35 3.78 2h34A1 LEU 201 HB2 -0.00 0.06 0.07 -0.04 1.64 1.73 2h34A1 LEU 201 HB3 0.00 0.12 0.05 -0.04 1.64 1.78 2h34A1 LEU 201 HG -0.03 -0.03 -0.03 -0.04 1.64 1.51 2h34A1 LEU 201 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.78 2h34A1 LEU 201 HD23 -0.06 0.01 0.01 -0.04 0.89 0.81 2h34A1 THR 202 H 0.03 0.53 -0.40 -0.55 8.28 7.89 2h34A1 THR 202 HA 0.03 -0.08 0.48 -0.75 4.39 4.07 2h34A1 THR 202 HB -0.10 0.22 0.18 -0.04 4.32 4.58 2h34A1 THR 202 HG23 0.04 -0.04 0.06 -0.04 1.22 1.23 2h34A1 CYS 203 H 0.00 0.56 0.07 -0.55 8.50 8.58 2h34A1 CYS 203 HA 0.01 0.01 0.62 -0.75 4.58 4.45 2h34A1 CYS 203 HB2 0.40 0.13 0.23 -0.04 2.97 3.69 2h34A1 CYS 203 HB3 0.17 -0.06 0.11 -0.04 2.97 3.14 2h34A1 VAL 204 H 0.14 0.61 -0.16 -0.55 8.24 8.28 2h34A1 VAL 204 HA 0.15 -0.03 0.26 -0.75 4.13 3.76 2h34A1 VAL 204 HB -0.01 0.12 0.07 -0.04 2.12 2.26 2h34A1 VAL 204 HG13 -0.06 -0.03 -0.19 -0.04 0.97 0.65 2h34A1 VAL 204 HG23 -0.21 0.02 -0.18 -0.04 0.95 0.54 2h34A1 LEU 205 H 0.04 0.73 -0.07 -0.55 8.37 8.52 2h34A1 LEU 205 HA -0.02 -0.04 0.37 -0.75 4.35 3.90 2h34A1 LEU 205 HB2 -0.00 -0.02 0.09 -0.04 1.64 1.66 2h34A1 LEU 205 HB3 0.04 0.16 0.20 -0.04 1.64 2.00 2h34A1 LEU 205 HG -0.01 0.02 -0.27 -0.04 1.64 1.33 2h34A1 LEU 205 HD13 -0.05 -0.02 -0.10 -0.04 0.93 0.71 2h34A1 LEU 205 HD23 0.09 -0.01 -0.07 -0.04 0.89 0.85 2h34A1 TYR 206 H 0.13 0.75 -0.10 -0.55 8.29 8.52 2h34A1 TYR 206 HA -0.07 -0.08 0.39 -0.75 4.56 4.04 2h34A1 TYR 206 HB2 -0.07 0.08 0.19 -0.04 3.06 3.22 2h34A1 TYR 206 HB3 -0.05 0.20 0.25 -0.04 2.98 3.33 2h34A1 TYR 206 HD2 -0.08 0.04 -0.07 -0.04 7.15 6.99 2h34A1 TYR 206 HE2 -0.09 0.01 -0.27 -0.04 6.85 6.47 2h34A1 GLU 207 H 0.15 0.65 -0.20 -0.55 8.60 8.65 2h34A1 GLU 207 HA -0.04 0.10 0.13 -0.75 4.29 3.73 2h34A1 GLU 207 HB2 0.15 0.02 -0.13 -0.04 2.09 2.09 2h34A1 GLU 207 HB3 0.08 0.09 -0.04 -0.04 1.99 2.08 2h34A1 GLU 207 HG2 0.00 0.06 -0.41 -0.04 2.34 1.95 2h34A1 GLU 207 HG3 0.00 -0.17 -0.50 -0.04 2.34 1.63 2h34A1 CYS 208 H -0.04 0.57 -0.20 -0.55 8.50 8.29 2h34A1 CYS 208 HA -0.06 0.03 0.37 -0.75 4.58 4.16 2h34A1 CYS 208 HB2 -0.08 0.18 0.12 -0.04 2.97 3.15 2h34A1 CYS 208 HB3 -0.08 -0.13 0.03 -0.04 2.97 2.75 2h34A1 LEU 209 H -0.19 0.46 -0.33 -0.55 8.37 7.76 2h34A1 LEU 209 HA -0.20 0.09 0.50 -0.75 4.35 3.99 2h34A1 LEU 209 HB2 -0.34 0.16 0.21 -0.04 1.64 1.63 2h34A1 LEU 209 HB3 -0.31 -0.09 -0.01 -0.04 1.64 1.19 2h34A1 LEU 209 HG -0.24 0.10 -0.03 -0.04 1.64 1.42 2h34A1 LEU 209 HD13 -0.36 -0.03 -0.11 -0.04 0.93 0.39 2h34A1 LEU 209 HD23 -0.46 -0.01 -0.01 -0.04 0.89 0.37 2h34A1 THR 210 H -0.38 0.61 0.14 -0.55 8.28 8.10 2h34A1 THR 210 HA -0.22 0.02 0.34 -0.75 4.39 3.77 2h34A1 THR 210 HB -0.25 -0.06 0.03 -0.04 4.32 4.00 2h34A1 THR 210 HG23 -0.76 0.02 0.04 -0.04 1.22 0.48 2h34A1 GLY 211 H -0.16 0.52 -0.05 -0.55 8.43 8.20 2h34A1 GLY 211 HA2 -0.07 0.04 0.23 -0.51 4.01 3.70 2h34A1 GLY 211 HA3 -0.07 0.11 0.79 -0.51 4.01 4.32 2h34A1 SER 212 H -0.10 0.12 -0.06 -0.55 8.46 7.87 2h34A1 SER 212 HA -0.05 0.16 0.78 -0.75 4.49 4.63 2h34A1 SER 212 HB2 -0.04 0.06 -0.06 -0.04 3.95 3.88 2h34A1 SER 212 HB3 -0.04 0.01 -0.17 -0.04 3.93 3.68 2h34A1 PRO 213 HA 0.06 0.12 0.34 -0.51 4.44 4.45 2h34A1 PRO 213 HB2 -0.27 0.08 0.00 -0.04 2.28 2.05 2h34A1 PRO 213 HB3 -0.31 -0.02 0.06 -0.04 2.02 1.71 2h34A1 PRO 213 HG2 -0.31 0.04 -0.09 -0.04 2.03 1.63 2h34A1 PRO 213 HG3 -0.85 -0.02 0.03 -0.04 2.03 1.15 2h34A1 PRO 213 HD2 -0.15 0.06 0.14 -0.04 3.68 3.69 2h34A1 PRO 213 HD3 -0.16 0.12 0.13 -0.04 3.65 3.69 2h34A1 PRO 214 HA -0.61 0.04 0.34 -0.51 4.44 3.70 2h34A1 PRO 214 HB2 -1.27 0.07 -0.03 -0.04 2.28 1.00 2h34A1 PRO 214 HB3 -1.23 0.01 0.12 -0.04 2.02 0.88 2h34A1 PRO 214 HG2 -0.42 0.10 0.14 -0.04 2.03 1.81 2h34A1 PRO 214 HG3 -0.38 0.04 0.14 -0.04 2.03 1.79 2h34A1 PRO 214 HD2 -0.12 0.09 0.24 -0.04 3.68 3.85 2h34A1 PRO 214 HD3 -0.00 0.15 0.24 -0.04 3.65 4.00 2h34A1 TYR 215 H -0.20 0.16 -0.24 -0.55 8.29 7.46 2h34A1 TYR 215 HA -0.09 0.15 0.99 -0.75 4.56 4.85 2h34A1 TYR 215 HB2 -0.22 -0.00 0.07 -0.04 3.06 2.87 2h34A1 TYR 215 HB3 -0.13 0.02 -0.02 -0.04 2.98 2.81 2h34A1 TYR 215 HD2 -0.63 0.02 -0.06 -0.04 7.15 6.44 2h34A1 TYR 215 HE2 -0.11 0.06 -0.16 -0.04 6.85 6.61 2h34A1 GLN 216 H 0.09 0.11 0.03 -0.55 8.47 8.16 2h34A1 GLN 216 HA 0.11 0.18 0.71 -0.75 4.36 4.61 2h34A1 GLN 216 HB2 0.04 0.03 0.03 -0.04 2.15 2.21 2h34A1 GLN 216 HB3 0.04 -0.11 0.05 -0.04 2.02 1.97 2h34A1 GLN 216 HG2 0.01 -0.06 0.00 -0.04 2.40 2.31 2h34A1 GLN 216 HG3 -0.02 0.05 -0.01 -0.04 2.39 2.36 2h34A1 GLN 216 HE21 -0.00 0.04 -0.11 -0.04 6.97 6.86 2h34A1 GLN 216 HE22 -0.01 -0.06 -0.06 -0.04 7.69 7.52 2h34A1 GLY 217 H 0.09 0.09 0.11 -0.55 8.43 8.17 2h34A1 GLY 217 HA2 0.04 -0.03 0.30 -0.51 4.01 3.81 2h34A1 GLY 217 HA3 0.03 0.17 0.72 -0.51 4.01 4.42 2h34A1 ASP 218 H 0.01 0.05 0.12 -0.55 8.40 8.04 2h34A1 ASP 218 HA 0.01 0.24 0.67 -0.75 4.63 4.80 2h34A1 ASP 218 HB2 -0.01 -0.05 0.18 -0.04 2.71 2.79 2h34A1 ASP 218 HB3 0.01 0.07 0.09 -0.04 2.70 2.82 2h34A1 GLN 219 H -0.03 0.14 0.14 -0.55 8.47 8.17 2h34A1 GLN 219 HA -0.07 0.11 0.25 -0.75 4.36 3.89 2h34A1 GLN 219 HB2 -0.04 -0.07 0.12 -0.04 2.15 2.12 2h34A1 GLN 219 HB3 -0.04 0.10 0.01 -0.04 2.02 2.05 2h34A1 GLN 219 HG2 -0.08 0.02 0.07 -0.04 2.40 2.37 2h34A1 GLN 219 HG3 -0.05 -0.05 0.12 -0.04 2.39 2.36 2h34A1 GLN 219 HE21 -0.01 0.05 0.03 -0.04 6.97 7.00 2h34A1 GLN 219 HE22 -0.04 -0.02 0.05 -0.04 7.69 7.64 2h34A1 LEU 220 H -0.04 -0.05 -0.21 -0.55 8.37 7.52 2h34A1 LEU 220 HA -0.09 0.15 0.47 -0.75 4.35 4.13 2h34A1 LEU 220 HB2 -0.04 -0.04 0.09 -0.04 1.64 1.60 2h34A1 LEU 220 HB3 -0.04 -0.13 0.09 -0.04 1.64 1.52 2h34A1 LEU 220 HG -0.06 0.07 -0.11 -0.04 1.64 1.50 2h34A1 LEU 220 HD13 -0.06 0.02 0.01 -0.04 0.93 0.86 2h34A1 LEU 220 HD23 -0.03 -0.02 -0.01 -0.04 0.89 0.79 2h34A1 SER 221 H -0.04 -0.09 -0.10 -0.55 8.46 7.68 2h34A1 SER 221 HA -0.07 0.04 0.32 -0.75 4.49 4.02 2h34A1 SER 221 HB2 -0.04 0.03 0.05 -0.04 3.95 3.95 2h34A1 SER 221 HB3 -0.03 -0.13 0.11 -0.04 3.93 3.83 2h34A1 VAL 222 H -0.04 0.64 -0.38 -0.55 8.24 7.91 2h34A1 VAL 222 HA -0.06 0.05 0.23 -0.75 4.13 3.59 2h34A1 VAL 222 HB -0.02 0.00 -0.17 -0.04 2.12 1.89 2h34A1 VAL 222 HG13 0.13 -0.03 -0.16 -0.04 0.97 0.87 2h34A1 VAL 222 HG23 0.11 -0.02 -0.49 -0.04 0.95 0.50 2h34A1 GLY 224 HA2 -0.16 -0.11 0.35 -0.51 4.01 3.58 2h34A1 GLY 224 HA3 -0.14 -0.05 0.18 -0.51 4.01 3.49 2h34A1 ALA 225 H -0.22 0.59 -1.14 -0.55 8.40 7.09 2h34A1 ALA 225 HA -0.36 -0.16 0.34 -0.75 4.34 3.41 2h34A1 ALA 225 HB3 -0.68 0.04 0.10 -0.04 1.41 0.82 2h34A1 HIS 226 H -0.21 0.55 0.12 -0.55 8.41 8.33 2h34A1 HIS 226 HA 0.08 0.09 0.33 -0.75 4.63 4.37 2h34A1 HIS 226 HB2 0.05 0.02 -0.03 -0.04 3.26 3.27 2h34A1 HIS 226 HB3 0.17 -0.04 -0.17 -0.04 3.20 3.13 2h34A1 HIS 226 HD2 0.18 -0.03 -0.02 -0.04 6.97 7.05 2h34A1 HIS 226 HE1 0.37 0.00 -0.02 -0.04 7.75 8.05 2h34A1 ILE 227 H -0.05 0.19 -0.37 -0.55 8.25 7.48 2h34A1 ILE 227 HA 0.05 0.04 0.44 -0.75 4.18 3.96 2h34A1 ILE 227 HB -0.07 0.13 0.13 -0.04 1.89 2.04 2h34A1 ILE 227 HG12 0.03 -0.05 0.02 -0.04 1.49 1.45 2h34A1 ILE 227 HG13 0.03 -0.02 -0.06 -0.04 1.21 1.12 2h34A1 ILE 227 HG23 -0.02 -0.04 -0.06 -0.04 0.93 0.77 2h34A1 ILE 227 HD13 -0.17 0.00 0.01 -0.04 0.88 0.68 2h34A1 ASN 228 H -0.10 0.24 -0.32 -0.55 8.53 7.80 2h34A1 ASN 228 HA -0.02 0.11 0.74 -0.75 4.76 4.83 2h34A1 ASN 228 HB2 -0.05 -0.07 -0.23 -0.04 2.88 2.49 2h34A1 ASN 228 HB3 -0.08 0.14 0.02 -0.04 2.79 2.82 2h34A1 ASN 228 HD21 -0.03 -0.08 -0.06 -0.04 7.03 6.82 2h34A1 ASN 228 HD22 -0.03 -0.01 -0.07 -0.04 7.74 7.58 2h34A1 GLN 229 H -0.20 0.28 0.24 -0.55 8.47 8.24 2h34A1 GLN 229 HA -0.06 -0.14 0.28 -0.75 4.36 3.68 2h34A1 ALA 230 H 0.01 -0.04 0.16 -0.55 8.40 7.99 2h34A1 ALA 230 HA 0.04 0.02 0.58 -0.75 4.34 4.23 2h34A1 ALA 230 HB3 0.03 -0.02 0.09 -0.04 1.41 1.46 2h34A1 ILE 231 H 0.06 0.06 0.16 -0.55 8.25 7.97 2h34A1 ILE 231 HA 0.03 0.13 0.42 -0.75 4.18 4.00 2h34A1 ILE 231 HB 0.01 -0.14 0.10 -0.04 1.89 1.82 2h34A1 ILE 231 HG12 0.06 0.08 -0.01 -0.04 1.49 1.58 2h34A1 ILE 231 HG13 0.09 -0.02 0.09 -0.04 1.21 1.32 2h34A1 ILE 231 HG23 -0.07 0.06 -0.18 -0.04 0.93 0.70 2h34A1 ILE 231 HD13 0.04 0.01 0.08 -0.04 0.88 0.96 2h34A1 PRO 232 HA -0.01 0.02 0.38 -0.51 4.44 4.33 2h34A1 PRO 232 HB2 -0.15 -0.04 -0.11 -0.04 2.28 1.94 2h34A1 PRO 232 HB3 -0.05 0.01 0.04 -0.04 2.02 1.98 2h34A1 PRO 232 HG2 -0.85 -0.02 0.09 -0.04 2.03 1.21 2h34A1 PRO 232 HG3 -0.31 0.14 0.08 -0.04 2.03 1.89 2h34A1 PRO 232 HD2 -0.42 0.07 0.13 -0.04 3.68 3.43 2h34A1 PRO 232 HD3 -0.32 0.17 0.19 -0.04 3.65 3.65 2h34A1 ARG 233 H 0.06 0.14 0.08 -0.55 8.46 8.18 2h34A1 ARG 233 HA 0.08 0.24 0.89 -0.75 4.34 4.80 2h34A1 PRO 234 HA -0.02 0.08 0.20 -0.51 4.44 4.19 2h34A1 PRO 234 HB2 -0.10 0.05 -0.09 -0.04 2.28 2.10 2h34A1 PRO 234 HB3 -0.17 0.09 0.06 -0.04 2.02 1.96 2h34A1 PRO 234 HG2 0.11 -0.09 -0.07 -0.04 2.03 1.94 2h34A1 PRO 234 HG3 0.14 0.11 -0.07 -0.04 2.03 2.16 2h34A1 PRO 234 HD2 0.13 0.07 0.27 -0.04 3.68 4.11 2h34A1 PRO 234 HD3 0.29 0.30 0.01 -0.04 3.65 4.21 2h34A1 SER 235 H 0.05 0.05 -0.23 -0.55 8.46 7.78 2h34A1 SER 235 HA -0.01 0.17 0.51 -0.75 4.49 4.40 2h34A1 SER 235 HB2 0.03 -0.00 0.04 -0.04 3.95 3.97 2h34A1 SER 235 HB3 0.06 0.17 -0.04 -0.04 3.93 4.08 2h34A1 THR 236 H 0.03 0.62 -0.15 -0.55 8.28 8.22 2h34A1 THR 236 HA 0.01 0.07 0.49 -0.75 4.39 4.20 2h34A1 THR 236 HB 0.01 -0.06 0.17 -0.04 4.32 4.41 2h34A1 THR 236 HG23 0.02 -0.03 0.04 -0.04 1.22 1.21 2h34A1 VAL 237 H -0.03 0.35 -0.58 -0.55 8.24 7.44 2h34A1 VAL 237 HA -0.02 0.15 1.01 -0.75 4.13 4.52 2h34A1 VAL 237 HB -0.09 -0.01 0.17 -0.04 2.12 2.14 2h34A1 VAL 237 HG13 -0.04 -0.01 -0.04 -0.04 0.97 0.83 2h34A1 VAL 237 HG23 -0.01 -0.00 -0.16 -0.04 0.95 0.74 2h34A1 ARG 238 H -0.08 0.19 0.14 -0.55 8.46 8.16 2h34A1 ARG 238 HA -0.04 0.14 0.68 -0.75 4.34 4.36 2h34A1 ARG 238 HB2 -0.09 0.11 0.11 -0.04 1.90 2.00 2h34A1 ARG 238 HB3 -0.09 -0.02 0.05 -0.04 1.80 1.69 2h34A1 ARG 238 HG2 -0.06 -0.17 -0.03 -0.04 1.67 1.37 2h34A1 ARG 238 HG3 -0.05 -0.02 0.15 -0.04 1.67 1.71 2h34A1 ARG 238 HD2 -0.07 0.08 -0.00 -0.04 3.22 3.19 2h34A1 ARG 238 HD3 -0.05 -0.08 0.04 -0.04 3.22 3.09 2h34A1 PRO 239 HA -0.02 0.13 0.51 -0.51 4.44 4.55 2h34A1 PRO 239 HB2 -0.02 -0.03 0.12 -0.04 2.28 2.31 2h34A1 PRO 239 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.05 2h34A1 PRO 239 HG2 -0.02 0.01 0.12 -0.04 2.03 2.09 2h34A1 PRO 239 HG3 -0.02 0.06 0.11 -0.04 2.03 2.14 2h34A1 PRO 239 HD2 -0.03 0.08 0.23 -0.04 3.68 3.91 2h34A1 PRO 239 HD3 -0.03 0.22 0.28 -0.04 3.65 4.08 2h34A1 GLY 240 H -0.03 0.14 -0.08 -0.55 8.43 7.90 2h34A1 GLY 240 HA2 -0.01 0.06 0.22 -0.51 4.01 3.77 2h34A1 GLY 240 HA3 -0.03 -0.02 0.33 -0.51 4.01 3.79 2h34A1 ILE 241 H -0.03 0.37 -0.56 -0.55 8.25 7.49 2h34A1 ILE 241 HA -0.06 0.15 0.85 -0.75 4.18 4.37 2h34A1 ILE 241 HB -0.05 0.07 0.05 -0.04 1.89 1.91 2h34A1 ILE 241 HG12 -0.19 0.04 -0.10 -0.04 1.49 1.21 2h34A1 ILE 241 HG13 -0.10 -0.15 -0.21 -0.04 1.21 0.71 2h34A1 ILE 241 HG23 -0.16 0.01 -0.20 -0.04 0.93 0.54 2h34A1 ILE 241 HD13 -0.16 0.04 -0.11 -0.04 0.88 0.60 2h34A1 PRO 242 HA 0.08 0.01 0.38 -0.51 4.44 4.40 2h34A1 PRO 242 HB2 0.23 0.13 0.11 -0.04 2.28 2.71 2h34A1 PRO 242 HB3 0.06 -0.09 0.17 -0.04 2.02 2.12 2h34A1 PRO 242 HG2 0.32 0.10 0.24 -0.04 2.03 2.64 2h34A1 PRO 242 HG3 0.11 -0.02 0.16 -0.04 2.03 2.23 2h34A1 PRO 242 HD2 0.24 0.09 0.24 -0.04 3.68 4.21 2h34A1 PRO 242 HD3 0.07 0.40 0.39 -0.04 3.65 4.47 2h34A1 VAL 243 H 0.04 0.11 0.21 -0.55 8.24 8.05 2h34A1 VAL 243 HA 0.06 0.13 0.45 -0.75 4.13 4.02 2h34A1 VAL 243 HB 0.01 -0.04 0.18 -0.04 2.12 2.22 2h34A1 VAL 243 HG13 0.02 0.00 -0.07 -0.04 0.97 0.87 2h34A1 VAL 243 HG23 0.02 0.02 0.09 -0.04 0.95 1.04 2h34A1 ALA 244 H -0.04 0.11 -0.03 -0.55 8.40 7.91 2h34A1 ALA 244 HA -0.05 0.00 0.22 -0.75 4.34 3.76 2h34A1 ALA 244 HB3 -0.18 0.05 0.07 -0.04 1.41 1.31 2h34A1 PHE 245 H 0.10 0.25 -0.85 -0.55 8.34 7.28 2h34A1 PHE 245 HA 0.02 0.03 0.43 -0.75 4.62 4.35 2h34A1 PHE 245 HB2 -0.01 0.23 0.04 -0.04 3.15 3.37 2h34A1 PHE 245 HB3 0.01 -0.03 -0.03 -0.04 3.06 2.96 2h34A1 PHE 245 HD2 -0.01 0.02 0.00 -0.04 7.28 7.25 2h34A1 PHE 245 HE2 -0.03 -0.05 -0.00 -0.04 7.38 7.26 2h34A1 PHE 245 HZ -0.04 -0.02 -0.17 -0.04 7.32 7.04 2h34A1 ASP 246 H 0.13 0.53 0.10 -0.55 8.40 8.61 2h34A1 ASP 246 HA 0.11 0.08 0.47 -0.75 4.63 4.54 2h34A1 ASP 246 HB2 0.05 -0.01 0.03 -0.04 2.71 2.74 2h34A1 ASP 246 HB3 0.05 0.05 0.08 -0.04 2.70 2.84 2h34A1 ALA 247 H 0.04 0.18 -0.36 -0.55 8.40 7.72 2h34A1 ALA 247 HA 0.02 0.05 0.44 -0.75 4.34 4.10 2h34A1 ALA 247 HB3 0.01 0.05 0.07 -0.04 1.41 1.50 2h34A1 VAL 248 H 0.06 0.31 -0.03 -0.55 8.24 8.03 2h34A1 VAL 248 HA 0.26 -0.02 0.36 -0.75 4.13 3.97 2h34A1 VAL 248 HB 0.16 0.09 0.17 -0.04 2.12 2.50 2h34A1 VAL 248 HG13 0.11 -0.01 -0.15 -0.04 0.97 0.87 2h34A1 VAL 248 HG23 0.00 0.01 -0.15 -0.04 0.95 0.77 2h34A1 ILE 249 H 0.14 0.64 -0.06 -0.55 8.25 8.42 2h34A1 ILE 249 HA 0.09 -0.02 0.40 -0.75 4.18 3.89 2h34A1 ILE 249 HB 0.11 0.03 0.15 -0.04 1.89 2.13 2h34A1 ILE 249 HG12 0.22 -0.00 0.03 -0.04 1.49 1.69 2h34A1 ILE 249 HG13 0.12 -0.04 0.02 -0.04 1.21 1.26 2h34A1 ILE 249 HG23 -0.03 0.01 -0.11 -0.04 0.93 0.76 2h34A1 ILE 249 HD13 0.17 -0.01 -0.04 -0.04 0.88 0.96 2h34A1 ALA 250 H 0.05 0.55 -0.15 -0.55 8.40 8.30 2h34A1 ALA 250 HA 0.00 0.00 0.36 -0.75 4.34 3.95 2h34A1 ALA 250 HB3 0.01 -0.03 0.13 -0.04 1.41 1.48 2h34A1 ARG 251 H 0.01 0.56 -0.10 -0.55 8.46 8.37 2h34A1 ARG 251 HA -0.12 0.04 0.46 -0.75 4.34 3.97 2h34A1 ARG 251 HB2 -0.17 -0.09 0.07 -0.04 1.90 1.67 2h34A1 ARG 251 HB3 -0.25 0.03 0.11 -0.04 1.80 1.64 2h34A1 ARG 251 HG2 -1.54 -0.17 -0.18 -0.04 1.67 -0.27 2h34A1 ARG 251 HG3 -0.41 0.31 0.10 -0.04 1.67 1.63 2h34A1 ARG 251 HD2 -0.23 -0.04 -0.02 -0.04 3.22 2.88 2h34A1 ARG 251 HD3 -0.47 -0.11 -0.07 -0.04 3.22 2.53 2h34A1 GLY 252 H 0.12 0.53 -0.14 -0.55 8.43 8.39 2h34A1 GLY 252 HA2 0.26 -0.20 0.14 -0.51 4.01 3.70 2h34A1 GLY 252 HA3 0.19 -0.05 0.26 -0.51 4.01 3.89 2h34A1 ALA 254 HA 0.04 -0.12 0.28 -0.75 4.34 3.79 2h34A1 ALA 254 HB3 -0.00 -0.05 -0.05 -0.04 1.41 1.27 2h34A1 LYS 255 H 0.05 -0.02 0.10 -0.55 8.42 8.00 2h34A1 LYS 255 HA 0.13 0.19 0.33 -0.75 4.32 4.22 2h34A1 LYS 255 HB2 0.04 -0.18 0.18 -0.04 1.87 1.87 2h34A1 LYS 255 HB3 0.05 0.02 0.06 -0.04 1.79 1.87 2h34A1 LYS 255 HG2 0.07 -0.06 0.07 -0.04 1.46 1.50 2h34A1 LYS 255 HG3 0.05 -0.04 0.03 -0.04 1.46 1.46 2h34A1 LYS 255 HD2 0.08 0.14 -0.10 -0.04 1.69 1.77 2h34A1 LYS 255 HD3 0.16 0.03 -0.06 -0.04 1.68 1.77 2h34A1 LYS 255 HE2 0.14 -0.09 -0.08 -0.04 2.99 2.92 2h34A1 LYS 255 HE3 0.07 -0.09 -0.13 -0.04 2.99 2.80 2h34A1 ASN 256 H 0.03 0.00 0.05 -0.55 8.53 8.06 2h34A1 ASN 256 HA 0.00 0.14 0.65 -0.75 4.76 4.81 2h34A1 ASN 256 HB2 0.01 0.01 0.12 -0.04 2.88 2.98 2h34A1 ASN 256 HB3 0.01 -0.02 0.10 -0.04 2.79 2.84 2h34A1 ASN 256 HD21 0.00 -0.01 0.00 -0.04 7.03 6.99 2h34A1 ASN 256 HD22 0.00 0.01 0.02 -0.04 7.74 7.73 2h34A1 PRO 257 HA 0.04 0.21 0.38 -0.51 4.44 4.56 2h34A1 PRO 257 HB2 0.02 -0.04 0.01 -0.04 2.28 2.24 2h34A1 PRO 257 HB3 0.02 0.04 0.07 -0.04 2.02 2.10 2h34A1 PRO 257 HG2 -0.05 0.01 0.08 -0.04 2.03 2.03 2h34A1 PRO 257 HG3 -0.09 0.07 0.11 -0.04 2.03 2.07 2h34A1 PRO 257 HD2 -0.01 -0.02 0.26 -0.04 3.68 3.86 2h34A1 PRO 257 HD3 -0.03 0.37 0.37 -0.04 3.65 4.32 2h34A1 GLU 258 H 0.01 0.03 -0.38 -0.55 8.60 7.72 2h34A1 GLU 258 HA 0.01 0.13 0.35 -0.75 4.29 4.03 2h34A1 GLU 258 HB2 0.01 -0.03 -0.02 -0.04 2.09 2.01 2h34A1 GLU 258 HB3 0.01 -0.00 0.09 -0.04 1.99 2.04 2h34A1 GLU 258 HG2 0.02 0.04 -0.02 -0.04 2.34 2.35 2h34A1 GLU 258 HG3 0.02 -0.04 -0.00 -0.04 2.34 2.28 2h34A1 ASP 259 H 0.00 0.58 -0.45 -0.55 8.40 7.99 2h34A1 ASP 259 HA -0.04 0.05 0.81 -0.75 4.63 4.70 2h34A1 ASP 259 HB2 -0.01 0.19 -0.04 -0.04 2.71 2.80 2h34A1 ASP 259 HB3 -0.03 -0.07 0.11 -0.04 2.70 2.67 2h34A1 ARG 260 H -0.01 0.27 -0.26 -0.55 8.46 7.91 2h34A1 ARG 260 HA -0.14 0.50 0.45 -0.75 4.34 4.40 2h34A1 ARG 260 HB2 0.05 0.02 0.04 -0.04 1.90 1.97 2h34A1 ARG 260 HB3 0.07 -0.15 0.08 -0.04 1.80 1.76 2h34A1 ARG 260 HG2 0.05 0.34 -0.58 -0.04 1.67 1.45 2h34A1 ARG 260 HG3 0.06 -0.12 -0.15 -0.04 1.67 1.41 2h34A1 ARG 260 HD2 0.14 -0.17 0.05 -0.04 3.22 3.20 2h34A1 ARG 260 HD3 0.22 0.19 0.18 -0.04 3.22 3.77 2h34A1 TYR 261 H 0.03 0.15 -0.03 -0.55 8.29 7.89 2h34A1 TYR 261 HA 0.00 0.03 0.49 -0.75 4.56 4.33 2h34A1 TYR 261 HB2 0.00 0.05 -0.00 -0.04 3.06 3.07 2h34A1 TYR 261 HB3 -0.00 -0.22 0.04 -0.04 2.98 2.76 2h34A1 TYR 261 HD2 0.00 -0.01 -0.09 -0.04 7.15 7.00 2h34A1 TYR 261 HE2 0.00 0.10 -0.01 -0.04 6.85 6.90 2h34A1 VAL 262 H 0.11 0.03 0.16 -0.55 8.24 7.99 2h34A1 VAL 262 HA 0.03 0.23 0.52 -0.75 4.13 4.16 2h34A1 VAL 262 HB 0.04 -0.11 0.11 -0.04 2.12 2.12 2h34A1 VAL 262 HG13 0.01 -0.01 -0.04 -0.04 0.97 0.90 2h34A1 VAL 262 HG23 0.02 0.04 0.01 -0.04 0.95 0.98 2h34A1 THR 263 H 0.07 0.01 0.03 -0.55 8.28 7.83 2h34A1 THR 263 HA -0.03 0.35 0.85 -0.75 4.39 4.82 2h34A1 THR 263 HB -0.02 -0.06 0.17 -0.04 4.32 4.36 2h34A1 THR 263 HG23 -0.00 0.06 -0.13 -0.04 1.22 1.11 2h34A1 CYS 264 H -0.03 0.27 0.13 -0.55 8.50 8.32 2h34A1 CYS 264 HA -0.05 0.18 0.59 -0.75 4.58 4.53 2h34A1 CYS 264 HB2 -0.05 0.10 0.16 -0.04 2.97 3.14 2h34A1 CYS 264 HB3 -0.06 -0.05 0.07 -0.04 2.97 2.88 2h34A1 GLY 265 H -0.04 0.09 -0.15 -0.55 8.43 7.78 2h34A1 GLY 265 HA2 -0.07 0.14 0.40 -0.51 4.01 3.97 2h34A1 GLY 265 HA3 -0.04 0.09 0.23 -0.51 4.01 3.78 2h34A1 ASP 266 H -0.04 0.05 -0.31 -0.55 8.40 7.55 2h34A1 ASP 266 HA -0.05 0.08 0.41 -0.75 4.63 4.31 2h34A1 ASP 266 HB2 0.08 0.00 0.12 -0.04 2.71 2.86 2h34A1 ASP 266 HB3 0.14 0.09 0.02 -0.04 2.70 2.90 2h34A1 LEU 267 H -0.24 0.41 -0.16 -0.55 8.37 7.83 2h34A1 LEU 267 HA -1.22 0.08 0.48 -0.75 4.35 2.93 2h34A1 LEU 267 HB2 -0.20 0.05 0.18 -0.04 1.64 1.63 2h34A1 LEU 267 HB3 -0.17 0.10 0.14 -0.04 1.64 1.67 2h34A1 LEU 267 HG -0.11 0.07 0.02 -0.04 1.64 1.58 2h34A1 LEU 267 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.80 2h34A1 LEU 267 HD23 -0.13 -0.01 -0.15 -0.04 0.89 0.55 2h34A1 SER 268 H -0.15 0.77 -0.11 -0.55 8.46 8.42 2h34A1 SER 268 HA -0.08 0.00 0.26 -0.75 4.49 3.92 2h34A1 SER 268 HB2 -0.10 0.07 0.20 -0.04 3.95 4.08 2h34A1 SER 268 HB3 -0.09 -0.04 -0.03 -0.04 3.93 3.72 2h34A1 ALA 269 H -0.11 0.54 -0.26 -0.55 8.40 8.03 2h34A1 ALA 269 HA -0.02 -0.02 0.24 -0.75 4.34 3.79 2h34A1 ALA 269 HB3 -0.03 0.01 0.09 -0.04 1.41 1.44 2h34A1 ALA 270 H -0.16 0.61 -0.13 -0.55 8.40 8.18 2h34A1 ALA 270 HA -0.03 -0.04 0.33 -0.75 4.34 3.84 2h34A1 ALA 270 HB3 -0.07 0.02 0.10 -0.04 1.41 1.41 2h34A1 ALA 271 H -0.09 0.69 -0.16 -0.55 8.40 8.29 2h34A1 ALA 271 HA 0.03 -0.03 0.33 -0.75 4.34 3.92 2h34A1 ALA 271 HB3 0.08 0.01 0.03 -0.04 1.41 1.49 2h34A1 HIS 272 H 0.09 0.75 -0.04 -0.55 8.41 8.67 2h34A1 HIS 272 HA 0.01 -0.03 0.41 -0.75 4.63 4.27 2h34A1 HIS 272 HB2 -0.03 -0.01 0.07 -0.04 3.26 3.25 2h34A1 HIS 272 HB3 -0.05 0.17 0.18 -0.04 3.20 3.46 2h34A1 HIS 272 HD2 -0.03 -0.01 -0.08 -0.04 6.97 6.81 2h34A1 HIS 272 HE1 -0.01 -0.03 -0.01 -0.04 7.75 7.65 2h34A1 ALA 273 H -0.00 0.65 -0.08 -0.55 8.40 8.43 2h34A1 ALA 273 HA -0.16 0.00 0.37 -0.75 4.34 3.79 2h34A1 ALA 273 HB3 -0.05 -0.01 0.09 -0.04 1.41 1.40 2h34A1 ALA 274 H -0.27 0.40 -0.78 -0.55 8.40 7.20 2h34A1 ALA 274 HA -0.34 0.01 0.52 -0.75 4.34 3.77 2h34A1 ALA 274 HB3 -1.08 -0.01 -0.04 -0.04 1.41 0.24 2h34A1 LEU 275 H -0.21 0.49 -0.37 -0.55 8.37 7.73 2h34A1 LEU 275 HA 0.02 0.01 0.92 -0.75 4.35 4.55 2h34A1 LEU 275 HB2 -0.14 0.14 0.18 -0.04 1.64 1.78 2h34A1 LEU 275 HB3 -0.02 -0.05 0.04 -0.04 1.64 1.56 2h34A1 LEU 275 HG 0.18 0.10 -0.11 -0.04 1.64 1.77 2h34A1 LEU 275 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.90 2h34A1 LEU 275 HD23 0.19 -0.03 -0.02 -0.04 0.89 0.99 2h34A1 ALA 276 H -0.01 0.08 0.04 -0.55 8.40 7.96 2h34A1 ALA 276 HA -0.05 0.21 0.42 -0.75 4.34 4.17 2h34A1 ALA 276 HB3 -0.02 0.00 0.07 -0.04 1.41 1.42