============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 11 1.000 -8.057 19.862 44.668 -99.200 -91.000 PHE 19 1.000 3.650 15.325 56.684 -99.200 -91.000 TYR 25 0.840 5.726 0.744 50.805 -99.200 -91.000 PHE 26 1.000 8.070 11.806 51.679 -99.200 -91.000 TYR 53 0.840 2.415 25.183 62.240 -99.200 -91.000 HIS 59 0.900 7.607 26.283 52.662 -99.200 -91.000 PHE 75 1.000 -4.641 28.297 47.093 -99.200 -91.000 PHE 80 1.000 -5.834 17.367 60.746 -99.200 -91.000 HIS 105 0.900 -4.047 8.082 58.918 -99.200 -91.000 TYR 113 0.840 -15.030 10.444 54.556 -99.200 -91.000 HIS 123 0.900 -11.670 9.770 39.039 -99.200 -91.000 HIS 134 0.900 3.351 -0.928 56.218 -99.200 -91.000 HIS 138 0.900 -5.998 -3.101 54.175 -99.200 -91.000 PHE 139 1.000 -8.825 -1.825 57.951 -99.200 -91.000 PHE 141 1.000 -5.029 3.440 49.667 -99.200 -91.000 HIS 167 0.900 -4.603 13.253 24.114 -99.200 -91.000 PHE 170 1.000 0.193 6.477 23.661 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b34A1 ALA 8 HA 0.05 -0.05 0.16 -0.75 4.34 3.75 2b34A1 ALA 8 HB3 0.06 -0.01 0.01 -0.04 1.41 1.44 2b34A1 ARG 9 H 0.04 0.15 -0.01 -0.55 8.46 8.09 2b34A1 ARG 9 HA 0.04 0.15 0.88 -0.75 4.34 4.65 2b34A1 ARG 9 HB2 0.01 -0.04 0.13 -0.04 1.90 1.96 2b34A1 ARG 9 HB3 0.01 0.05 -0.02 -0.04 1.80 1.80 2b34A1 ARG 9 HG2 0.02 0.02 -0.11 -0.04 1.67 1.55 2b34A1 ARG 9 HG3 0.01 -0.04 -0.04 -0.04 1.67 1.56 2b34A1 ARG 9 HD2 0.03 0.19 -0.36 -0.04 3.22 3.04 2b34A1 ARG 9 HD3 0.01 -0.03 -0.12 -0.04 3.22 3.04 2b34A1 ILE 10 H -0.03 0.16 0.00 -0.55 8.25 7.84 2b34A1 ILE 10 HA -0.08 0.03 0.38 -0.75 4.18 3.75 2b34A1 ILE 10 HB -0.17 0.03 -0.16 -0.04 1.89 1.56 2b34A1 ILE 10 HG12 -0.14 0.02 -0.01 -0.04 1.49 1.32 2b34A1 ILE 10 HG13 -0.08 0.08 -0.09 -0.04 1.21 1.07 2b34A1 ILE 10 HG23 -0.58 -0.00 -0.16 -0.04 0.93 0.15 2b34A1 ILE 10 HD13 -0.15 -0.02 -0.12 -0.04 0.88 0.55 2b34A1 ASN 11 H -0.04 0.15 0.22 -0.55 8.53 8.32 2b34A1 ASN 11 HA -0.03 0.30 0.41 -0.75 4.76 4.68 2b34A1 ASN 11 HB2 0.01 0.06 0.22 -0.04 2.88 3.13 2b34A1 ASN 11 HB3 -0.00 0.14 0.06 -0.04 2.79 2.94 2b34A1 ASN 11 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.97 2b34A1 ASN 11 HD22 0.00 0.07 -0.05 -0.04 7.74 7.72 2b34A1 PRO 12 HA -0.01 0.05 0.41 -0.51 4.44 4.38 2b34A1 PRO 12 HB2 0.04 0.01 0.04 -0.04 2.28 2.33 2b34A1 PRO 12 HB3 0.02 0.24 0.12 -0.04 2.02 2.36 2b34A1 PRO 12 HG2 0.06 0.01 0.09 -0.04 2.03 2.14 2b34A1 PRO 12 HG3 -0.03 -0.02 0.04 -0.04 2.03 1.98 2b34A1 PRO 12 HD2 0.03 0.05 0.24 -0.04 3.68 3.96 2b34A1 PRO 12 HD3 -0.03 0.43 0.29 -0.04 3.65 4.30 2b34A1 THR 13 H 0.01 -0.00 -0.38 -0.55 8.28 7.36 2b34A1 THR 13 HA 0.02 0.29 0.78 -0.75 4.39 4.72 2b34A1 THR 13 HB 0.01 0.03 0.14 -0.04 4.32 4.46 2b34A1 THR 13 HG23 0.02 -0.00 -0.01 -0.04 1.22 1.19 2b34A1 ASN 14 H -0.01 0.22 -0.06 -0.55 8.53 8.14 2b34A1 ASN 14 HA 0.00 0.35 1.05 -0.75 4.76 5.41 2b34A1 ASN 14 HB2 0.00 -0.06 0.23 -0.04 2.88 3.01 2b34A1 ASN 14 HB3 0.00 0.01 -0.01 -0.04 2.79 2.76 2b34A1 ASN 14 HD21 -0.01 0.49 0.12 -0.04 7.03 7.59 2b34A1 ASN 14 HD22 0.00 -0.02 0.03 -0.04 7.74 7.71 2b34A1 SER 15 H -0.00 0.28 -0.10 -0.55 8.46 8.09 2b34A1 SER 15 HA -0.03 0.28 1.05 -0.75 4.49 5.03 2b34A1 SER 15 HB2 -0.04 0.06 -0.04 -0.04 3.95 3.90 2b34A1 SER 15 HB3 -0.06 -0.04 -0.10 -0.04 3.93 3.69 2b34A1 ALA 16 H -0.01 0.47 0.36 -0.55 8.40 8.67 2b34A1 ALA 16 HA 0.07 0.31 0.71 -0.75 4.34 4.68 2b34A1 ALA 16 HB3 0.16 -0.00 -0.06 -0.04 1.41 1.47 2b34A1 LEU 17 H 0.11 0.77 0.26 -0.55 8.37 8.96 2b34A1 LEU 17 HA 0.11 0.18 1.04 -0.75 4.35 4.92 2b34A1 LEU 17 HB2 0.04 -0.00 -0.03 -0.04 1.64 1.61 2b34A1 LEU 17 HB3 0.06 0.03 0.12 -0.04 1.64 1.81 2b34A1 LEU 17 HG 0.06 -0.04 -0.40 -0.04 1.64 1.22 2b34A1 LEU 17 HD13 0.04 0.03 -0.14 -0.04 0.93 0.82 2b34A1 LEU 17 HD23 0.01 0.01 -0.23 -0.04 0.89 0.64 2b34A1 PHE 18 H 0.26 0.84 0.35 -0.55 8.34 9.24 2b34A1 PHE 18 HA 0.03 0.24 1.00 -0.75 4.62 5.13 2b34A1 PHE 18 HB2 0.03 0.06 0.07 -0.04 3.15 3.27 2b34A1 PHE 18 HB3 0.03 -0.10 -0.06 -0.04 3.06 2.90 2b34A1 PHE 18 HD2 0.04 -0.08 -0.46 -0.04 7.28 6.73 2b34A1 PHE 18 HE2 0.05 0.00 -0.23 -0.04 7.38 7.17 2b34A1 PHE 18 HZ 0.06 0.05 -0.13 -0.04 7.32 7.25 2b34A1 VAL 19 H -0.01 0.86 0.36 -0.55 8.24 8.89 2b34A1 VAL 19 HA 0.04 0.15 0.91 -0.75 4.13 4.47 2b34A1 VAL 19 HB -0.02 -0.01 0.23 -0.04 2.12 2.28 2b34A1 VAL 19 HG13 -0.00 -0.04 -0.12 -0.04 0.97 0.76 2b34A1 VAL 19 HG23 0.01 0.03 -0.14 -0.04 0.95 0.80 2b34A1 CYS 20 H 0.04 0.68 0.25 -0.55 8.50 8.92 2b34A1 CYS 20 HA 0.02 0.16 1.28 -0.75 4.58 5.28 2b34A1 CYS 20 HB2 0.06 0.01 -0.02 -0.04 2.97 2.98 2b34A1 CYS 20 HB3 0.08 0.06 -0.07 -0.04 2.97 3.01 2b34A1 ASP 21 H 0.03 0.64 0.27 -0.55 8.40 8.79 2b34A1 ASP 21 HA 0.07 0.06 0.35 -0.75 4.63 4.35 2b34A1 ASP 21 HB2 -0.09 0.13 -0.31 -0.04 2.71 2.40 2b34A1 ASP 21 HB3 -0.00 -0.03 0.12 -0.04 2.70 2.75 2b34A1 LEU 22 H 0.01 0.15 -0.32 -0.55 8.37 7.67 2b34A1 LEU 22 HA 0.04 0.11 0.66 -0.75 4.35 4.40 2b34A1 LEU 22 HB2 0.00 0.01 0.07 -0.04 1.64 1.68 2b34A1 LEU 22 HB3 -0.00 -0.02 0.10 -0.04 1.64 1.67 2b34A1 LEU 22 HG -0.04 0.04 -0.05 -0.04 1.64 1.55 2b34A1 LEU 22 HD13 -0.05 0.02 -0.05 -0.04 0.93 0.81 2b34A1 LEU 22 HD23 -0.10 0.01 -0.09 -0.04 0.89 0.67 2b34A1 GLN 23 H 0.28 0.40 0.04 -0.55 8.47 8.64 2b34A1 GLN 23 HA 0.19 0.18 0.57 -0.75 4.36 4.54 2b34A1 GLN 23 HB2 0.42 0.00 -0.15 -0.04 2.15 2.38 2b34A1 GLN 23 HB3 0.14 0.12 -0.39 -0.04 2.02 1.85 2b34A1 GLN 23 HG2 0.12 -0.06 -0.44 -0.04 2.40 1.98 2b34A1 GLN 23 HG3 0.15 -0.19 -0.59 -0.04 2.39 1.72 2b34A1 GLN 23 HE21 0.13 0.43 -0.12 -0.04 6.97 7.36 2b34A1 GLN 23 HE22 0.04 0.60 -0.17 -0.04 7.69 8.12 2b34A1 GLU 24 H 0.12 0.48 0.10 -0.55 8.60 8.75 2b34A1 GLU 24 HA 0.12 0.00 0.29 -0.75 4.29 3.95 2b34A1 GLU 24 HB2 0.03 -0.02 0.19 -0.04 2.09 2.25 2b34A1 GLU 24 HB3 0.02 0.00 0.03 -0.04 1.99 2.01 2b34A1 GLU 24 HG2 0.08 -0.05 0.06 -0.04 2.34 2.39 2b34A1 GLU 24 HG3 0.11 0.17 0.04 -0.04 2.34 2.61 2b34A1 LYS 25 H -0.04 0.53 -0.03 -0.55 8.42 8.32 2b34A1 LYS 25 HA -0.12 0.05 0.33 -0.75 4.32 3.83 2b34A1 LYS 25 HB2 -0.22 0.14 0.12 -0.04 1.87 1.86 2b34A1 LYS 25 HB3 -0.24 -0.02 0.11 -0.04 1.79 1.60 2b34A1 LYS 25 HG2 -0.09 -0.10 -0.14 -0.04 1.46 1.10 2b34A1 LYS 25 HG3 -0.12 0.20 -0.03 -0.04 1.46 1.47 2b34A1 LYS 25 HD2 -0.11 -0.04 0.07 -0.04 1.69 1.56 2b34A1 LYS 25 HD3 -0.08 -0.05 -0.02 -0.04 1.68 1.49 2b34A1 LYS 25 HE2 -0.06 -0.05 0.01 -0.04 2.99 2.85 2b34A1 LYS 25 HE3 -0.07 0.00 -0.02 -0.04 2.99 2.87 2b34A1 PHE 26 H 0.05 0.40 -0.52 -0.55 8.34 7.72 2b34A1 PHE 26 HA -0.14 0.12 0.66 -0.75 4.62 4.51 2b34A1 PHE 26 HB2 -0.03 0.27 0.05 -0.04 3.15 3.39 2b34A1 PHE 26 HB3 -0.07 -0.09 -0.04 -0.04 3.06 2.82 2b34A1 PHE 26 HD2 0.02 -0.03 -0.01 -0.04 7.28 7.21 2b34A1 PHE 26 HE2 0.01 -0.03 -0.01 -0.04 7.38 7.31 2b34A1 PHE 26 HZ 0.02 -0.02 -0.02 -0.04 7.32 7.26 2b34A1 ALA 27 H -0.36 0.53 -0.12 -0.55 8.40 7.91 2b34A1 ALA 27 HA -2.34 -0.01 0.20 -0.75 4.34 1.44 2b34A1 ALA 27 HB3 -0.22 0.01 0.10 -0.04 1.41 1.26 2b34A1 SER 28 H -0.20 0.16 -0.32 -0.55 8.46 7.55 2b34A1 SER 28 HA -0.09 0.16 0.70 -0.75 4.49 4.52 2b34A1 SER 28 HB2 -0.06 0.01 0.13 -0.04 3.95 3.99 2b34A1 SER 28 HB3 -0.08 -0.02 0.01 -0.04 3.93 3.80 2b34A1 ASN 29 H -0.12 0.52 -0.27 -0.55 8.53 8.12 2b34A1 ASN 29 HA -0.03 0.22 0.94 -0.75 4.76 5.14 2b34A1 ASN 29 HB2 0.03 0.01 0.08 -0.04 2.88 2.97 2b34A1 ASN 29 HB3 0.00 -0.07 0.19 -0.04 2.79 2.87 2b34A1 ASN 29 HD21 -0.06 0.01 -0.05 -0.04 7.03 6.89 2b34A1 ASN 29 HD22 -0.04 -0.03 0.00 -0.04 7.74 7.64 2b34A1 ILE 30 H -0.01 0.29 -0.18 -0.55 8.25 7.80 2b34A1 ILE 30 HA 0.07 0.07 0.68 -0.75 4.18 4.25 2b34A1 ILE 30 HB 0.34 0.02 -0.07 -0.04 1.89 2.13 2b34A1 ILE 30 HG12 0.17 0.09 -0.40 -0.04 1.49 1.31 2b34A1 ILE 30 HG13 0.23 -0.02 -0.17 -0.04 1.21 1.21 2b34A1 ILE 30 HG23 0.20 0.01 -0.38 -0.04 0.93 0.72 2b34A1 ILE 30 HD13 0.09 -0.01 -0.12 -0.04 0.88 0.80 2b34A1 LYS 31 H -0.00 0.52 0.19 -0.55 8.42 8.58 2b34A1 LYS 31 HA -0.14 0.01 0.52 -0.75 4.32 3.96 2b34A1 LYS 31 HB2 0.06 -0.04 0.09 -0.04 1.87 1.94 2b34A1 LYS 31 HB3 -0.09 0.01 0.01 -0.04 1.79 1.69 2b34A1 LYS 31 HG2 -0.23 0.22 -0.03 -0.04 1.46 1.38 2b34A1 LYS 31 HG3 -0.76 -0.18 -0.10 -0.04 1.46 0.38 2b34A1 LYS 31 HD2 -0.41 -0.02 0.05 -0.04 1.69 1.27 2b34A1 LYS 31 HD3 -0.23 0.00 0.02 -0.04 1.68 1.44 2b34A1 LYS 31 HE2 -0.21 0.15 0.10 -0.04 2.99 2.99 2b34A1 LYS 31 HE3 -0.57 -0.20 0.11 -0.04 2.99 2.29 2b34A1 TYR 32 H -0.25 0.13 0.21 -0.55 8.29 7.82 2b34A1 TYR 32 HA 0.08 0.01 0.36 -0.75 4.56 4.25 2b34A1 TYR 32 HB2 0.07 0.17 0.03 -0.04 3.06 3.30 2b34A1 TYR 32 HB3 0.05 -0.04 0.17 -0.04 2.98 3.12 2b34A1 TYR 32 HD2 0.10 0.04 -0.11 -0.04 7.15 7.13 2b34A1 TYR 32 HE2 0.15 0.01 -0.07 -0.04 6.85 6.91 2b34A1 PHE 33 H 0.23 0.31 -0.11 -0.55 8.34 8.22 2b34A1 PHE 33 HA 0.06 0.04 0.26 -0.75 4.62 4.23 2b34A1 PHE 33 HB2 0.04 0.13 0.07 -0.04 3.15 3.36 2b34A1 PHE 33 HB3 0.04 0.08 0.17 -0.04 3.06 3.30 2b34A1 PHE 33 HD2 0.04 0.00 -0.14 -0.04 7.28 7.14 2b34A1 PHE 33 HE2 0.05 -0.02 -0.11 -0.04 7.38 7.25 2b34A1 PHE 33 HZ 0.08 0.04 -0.23 -0.04 7.32 7.17 2b34A1 PRO 34 HA 0.01 0.06 0.43 -0.51 4.44 4.43 2b34A1 PRO 34 HB2 0.08 0.03 0.01 -0.04 2.28 2.35 2b34A1 PRO 34 HB3 0.07 0.06 0.07 -0.04 2.02 2.18 2b34A1 PRO 34 HG2 0.10 0.07 0.07 -0.04 2.03 2.22 2b34A1 PRO 34 HG3 0.17 0.07 0.07 -0.04 2.03 2.30 2b34A1 PRO 34 HD2 0.14 0.00 0.03 -0.04 3.68 3.81 2b34A1 PRO 34 HD3 0.27 0.19 0.18 -0.04 3.65 4.25 2b34A1 GLU 35 H 0.10 0.11 -0.35 -0.55 8.60 7.91 2b34A1 GLU 35 HA 0.02 0.04 0.44 -0.75 4.29 4.04 2b34A1 GLU 35 HB2 0.13 0.09 0.09 -0.04 2.09 2.36 2b34A1 GLU 35 HB3 0.03 0.12 -0.09 -0.04 1.99 2.00 2b34A1 GLU 35 HG2 0.10 0.21 -0.07 -0.04 2.34 2.54 2b34A1 GLU 35 HG3 0.07 -0.04 0.01 -0.04 2.34 2.34 2b34A1 ILE 36 H -0.00 0.54 -0.09 -0.55 8.25 8.15 2b34A1 ILE 36 HA -0.04 0.14 0.49 -0.75 4.18 4.02 2b34A1 ILE 36 HB -0.04 0.23 0.08 -0.04 1.89 2.12 2b34A1 ILE 36 HG12 0.04 -0.09 -0.49 -0.04 1.49 0.92 2b34A1 ILE 36 HG13 0.01 -0.18 -0.33 -0.04 1.21 0.67 2b34A1 ILE 36 HG23 -0.15 -0.01 -0.22 -0.04 0.93 0.50 2b34A1 ILE 36 HD13 0.08 0.05 -0.16 -0.04 0.88 0.80 2b34A1 ILE 37 H -0.23 0.50 -0.20 -0.55 8.25 7.77 2b34A1 ILE 37 HA -0.18 0.01 0.51 -0.75 4.18 3.77 2b34A1 ILE 37 HB -0.17 0.14 0.15 -0.04 1.89 1.96 2b34A1 ILE 37 HG12 -0.94 0.28 -0.01 -0.04 1.49 0.77 2b34A1 ILE 37 HG13 -0.39 -0.06 -0.05 -0.04 1.21 0.67 2b34A1 ILE 37 HG23 -0.06 -0.02 -0.16 -0.04 0.93 0.65 2b34A1 ILE 37 HD13 -0.42 -0.02 -0.07 -0.04 0.88 0.33 2b34A1 THR 38 H -0.06 0.53 -0.03 -0.55 8.28 8.17 2b34A1 THR 38 HA -0.03 0.01 0.43 -0.75 4.39 4.04 2b34A1 THR 38 HB -0.02 0.14 0.23 -0.04 4.32 4.64 2b34A1 THR 38 HG23 -0.01 -0.01 -0.04 -0.04 1.22 1.12 2b34A1 THR 39 H -0.04 0.58 -0.12 -0.55 8.28 8.15 2b34A1 THR 39 HA -0.03 0.04 0.49 -0.75 4.39 4.14 2b34A1 THR 39 HB -0.03 0.13 0.16 -0.04 4.32 4.54 2b34A1 THR 39 HG23 -0.03 -0.06 -0.10 -0.04 1.22 0.99 2b34A1 SER 40 H -0.05 0.74 0.01 -0.55 8.46 8.61 2b34A1 SER 40 HA -0.02 -0.04 0.56 -0.75 4.49 4.24 2b34A1 SER 40 HB2 -0.06 0.06 0.21 -0.04 3.95 4.11 2b34A1 SER 40 HB3 -0.03 -0.09 0.06 -0.04 3.93 3.83 2b34A1 ARG 41 H -0.04 0.64 -0.25 -0.55 8.46 8.26 2b34A1 ARG 41 HA -0.02 -0.00 0.48 -0.75 4.34 4.04 2b34A1 ARG 41 HB2 -0.03 -0.05 0.02 -0.04 1.90 1.80 2b34A1 ARG 41 HB3 -0.03 0.20 0.13 -0.04 1.80 2.06 2b34A1 ARG 41 HG2 -0.02 -0.04 -0.05 -0.04 1.67 1.52 2b34A1 ARG 41 HG3 -0.02 0.00 -0.15 -0.04 1.67 1.46 2b34A1 ARG 41 HD2 -0.02 -0.08 0.11 -0.04 3.22 3.19 2b34A1 ARG 41 HD3 -0.01 0.16 -0.03 -0.04 3.22 3.30 2b34A1 ARG 42 H -0.03 0.35 -0.24 -0.55 8.46 7.99 2b34A1 ARG 42 HA -0.02 0.05 0.49 -0.75 4.34 4.10 2b34A1 ARG 42 HB2 -0.03 0.16 0.20 -0.04 1.90 2.20 2b34A1 ARG 42 HB3 -0.03 -0.06 -0.01 -0.04 1.80 1.67 2b34A1 ARG 42 HG2 -0.03 0.06 0.11 -0.04 1.67 1.77 2b34A1 ARG 42 HG3 -0.02 0.15 0.13 -0.04 1.67 1.89 2b34A1 ARG 42 HD2 -0.03 -0.13 0.06 -0.04 3.22 3.09 2b34A1 ARG 42 HD3 -0.03 -0.02 0.03 -0.04 3.22 3.16 2b34A1 LEU 43 H -0.02 0.37 -0.16 -0.55 8.37 8.01 2b34A1 LEU 43 HA -0.02 0.04 0.49 -0.75 4.35 4.11 2b34A1 LEU 43 HB2 -0.01 0.10 0.14 -0.04 1.64 1.83 2b34A1 LEU 43 HB3 -0.00 0.01 -0.08 -0.04 1.64 1.52 2b34A1 LEU 43 HG -0.02 -0.02 -0.04 -0.04 1.64 1.52 2b34A1 LEU 43 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2b34A1 LEU 43 HD23 -0.01 -0.00 -0.08 -0.04 0.89 0.75 2b34A1 ILE 44 H -0.01 0.53 -0.08 -0.55 8.25 8.14 2b34A1 ILE 44 HA -0.01 0.01 0.45 -0.75 4.18 3.88 2b34A1 ILE 44 HB -0.01 0.06 0.15 -0.04 1.89 2.05 2b34A1 ILE 44 HG12 -0.01 -0.03 -0.04 -0.04 1.49 1.38 2b34A1 ILE 44 HG13 -0.01 -0.02 -0.01 -0.04 1.21 1.13 2b34A1 ILE 44 HG23 -0.01 0.04 -0.32 -0.04 0.93 0.59 2b34A1 ILE 44 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 2b34A1 ASP 45 H -0.02 0.60 -0.16 -0.55 8.40 8.28 2b34A1 ASP 45 HA -0.01 0.11 0.47 -0.75 4.63 4.44 2b34A1 ASP 45 HB2 -0.02 0.10 0.18 -0.04 2.71 2.92 2b34A1 ASP 45 HB3 -0.02 -0.06 -0.00 -0.04 2.70 2.58 2b34A1 ALA 46 H -0.02 0.51 -0.16 -0.55 8.40 8.19 2b34A1 ALA 46 HA -0.02 -0.01 0.45 -0.75 4.34 4.00 2b34A1 ALA 46 HB3 -0.03 0.02 0.11 -0.04 1.41 1.46 2b34A1 ALA 47 H -0.01 0.61 -0.19 -0.55 8.40 8.26 2b34A1 ALA 47 HA -0.00 -0.01 0.41 -0.75 4.34 3.99 2b34A1 ALA 47 HB3 0.01 0.06 0.06 -0.04 1.41 1.49 2b34A1 ARG 48 H -0.01 0.52 -0.13 -0.55 8.46 8.29 2b34A1 ARG 48 HA -0.00 -0.03 0.50 -0.75 4.34 4.06 2b34A1 ARG 48 HB2 -0.01 0.08 0.16 -0.04 1.90 2.09 2b34A1 ARG 48 HB3 -0.01 0.10 0.18 -0.04 1.80 2.03 2b34A1 ARG 48 HG2 -0.00 -0.04 -0.10 -0.04 1.67 1.49 2b34A1 ARG 48 HG3 -0.01 -0.19 0.08 -0.04 1.67 1.52 2b34A1 ARG 48 HD2 -0.01 -0.09 -0.04 -0.04 3.22 3.04 2b34A1 ARG 48 HD3 -0.01 0.33 -0.12 -0.04 3.22 3.38 2b34A1 ILE 49 H -0.01 0.57 -0.11 -0.55 8.25 8.16 2b34A1 ILE 49 HA 0.01 -0.00 0.43 -0.75 4.18 3.85 2b34A1 ILE 49 HB -0.01 0.11 0.17 -0.04 1.89 2.11 2b34A1 ILE 49 HG12 -0.01 0.34 0.07 -0.04 1.49 1.85 2b34A1 ILE 49 HG13 -0.02 -0.09 -0.09 -0.04 1.21 0.97 2b34A1 ILE 49 HG23 0.01 -0.04 -0.11 -0.04 0.93 0.76 2b34A1 ILE 49 HD13 -0.01 -0.03 -0.01 -0.04 0.88 0.79 2b34A1 LEU 50 H 0.00 0.48 -0.21 -0.55 8.37 8.10 2b34A1 LEU 50 HA 0.05 0.07 0.54 -0.75 4.35 4.25 2b34A1 LEU 50 HB2 -0.00 0.05 0.06 -0.04 1.64 1.70 2b34A1 LEU 50 HB3 0.01 -0.06 0.13 -0.04 1.64 1.68 2b34A1 LEU 50 HG -0.01 0.05 0.01 -0.04 1.64 1.65 2b34A1 LEU 50 HD13 -0.06 -0.02 -0.08 -0.04 0.93 0.73 2b34A1 LEU 50 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 2b34A1 SER 51 H 0.01 0.26 -0.54 -0.55 8.46 7.65 2b34A1 SER 51 HA 0.01 -0.01 0.30 -0.75 4.49 4.04 2b34A1 SER 51 HB2 0.02 0.14 0.04 -0.04 3.95 4.11 2b34A1 SER 51 HB3 0.02 -0.08 0.19 -0.04 3.93 4.02 2b34A1 ILE 52 H 0.01 0.50 -0.03 -0.55 8.25 8.17 2b34A1 ILE 52 HA 0.02 0.33 0.81 -0.75 4.18 4.58 2b34A1 ILE 52 HB 0.01 -0.16 0.09 -0.04 1.89 1.79 2b34A1 ILE 52 HG12 -0.00 0.15 0.06 -0.04 1.49 1.66 2b34A1 ILE 52 HG13 0.01 0.08 -0.18 -0.04 1.21 1.07 2b34A1 ILE 52 HG23 0.02 0.06 -0.29 -0.04 0.93 0.68 2b34A1 ILE 52 HD13 -0.02 -0.05 -0.14 -0.04 0.88 0.63 2b34A1 PRO 53 HA 0.03 -0.03 0.41 -0.51 4.44 4.33 2b34A1 PRO 53 HB2 0.08 -0.05 0.10 -0.04 2.28 2.36 2b34A1 PRO 53 HB3 0.05 -0.01 0.08 -0.04 2.02 2.10 2b34A1 PRO 53 HG2 0.05 0.08 0.10 -0.04 2.03 2.21 2b34A1 PRO 53 HG3 0.03 0.01 0.12 -0.04 2.03 2.15 2b34A1 PRO 53 HD2 0.03 0.42 0.39 -0.04 3.68 4.48 2b34A1 PRO 53 HD3 0.03 0.33 0.39 -0.04 3.65 4.35 2b34A1 THR 54 H 0.01 0.15 0.23 -0.55 8.28 8.12 2b34A1 THR 54 HA 0.05 0.24 1.06 -0.75 4.39 4.98 2b34A1 THR 54 HB -0.02 -0.06 0.11 -0.04 4.32 4.31 2b34A1 THR 54 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.04 2b34A1 ILE 55 H -0.04 0.78 0.40 -0.55 8.25 8.84 2b34A1 ILE 55 HA -0.18 0.24 0.91 -0.75 4.18 4.40 2b34A1 ILE 55 HB -0.98 -0.05 0.07 -0.04 1.89 0.88 2b34A1 ILE 55 HG12 -0.01 -0.02 -0.47 -0.04 1.49 0.94 2b34A1 ILE 55 HG13 -0.13 -0.02 -0.13 -0.04 1.21 0.90 2b34A1 ILE 55 HG23 -0.32 -0.02 -0.17 -0.04 0.93 0.38 2b34A1 ILE 55 HD13 0.05 0.02 -0.00 -0.04 0.88 0.91 2b34A1 VAL 56 H -0.22 0.59 0.26 -0.55 8.24 8.32 2b34A1 VAL 56 HA -0.08 0.23 1.13 -0.75 4.13 4.66 2b34A1 VAL 56 HB -0.11 0.02 0.16 -0.04 2.12 2.15 2b34A1 VAL 56 HG13 -0.02 -0.02 -0.07 -0.04 0.97 0.81 2b34A1 VAL 56 HG23 -0.07 0.01 -0.17 -0.04 0.95 0.69 2b34A1 THR 57 H -0.02 0.49 0.36 -0.55 8.28 8.56 2b34A1 THR 57 HA 0.05 0.34 1.09 -0.75 4.39 5.12 2b34A1 THR 57 HB 0.09 0.04 -0.04 -0.04 4.32 4.36 2b34A1 THR 57 HG23 0.06 0.00 -0.12 -0.04 1.22 1.12 2b34A1 GLU 58 H 0.09 0.76 0.32 -0.55 8.60 9.22 2b34A1 GLU 58 HA 0.10 0.01 0.78 -0.75 4.29 4.43 2b34A1 GLU 58 HB2 0.10 -0.02 0.02 -0.04 2.09 2.15 2b34A1 GLU 58 HB3 0.09 0.10 -0.04 -0.04 1.99 2.10 2b34A1 GLU 58 HG2 0.09 -0.00 -0.16 -0.04 2.34 2.23 2b34A1 GLU 58 HG3 0.06 0.03 -0.46 -0.04 2.34 1.93 2b34A1 GLN 59 H 0.16 0.11 0.05 -0.55 8.47 8.25 2b34A1 GLN 59 HA 0.16 0.25 0.71 -0.75 4.36 4.73 2b34A1 GLN 59 HB2 0.20 0.03 0.01 -0.04 2.15 2.34 2b34A1 GLN 59 HB3 0.27 -0.04 0.10 -0.04 2.02 2.32 2b34A1 GLN 59 HG2 0.29 -0.05 -0.07 -0.04 2.40 2.53 2b34A1 GLN 59 HG3 0.25 0.01 -0.28 -0.04 2.39 2.32 2b34A1 GLN 59 HE21 0.15 0.43 -0.03 -0.04 6.97 7.48 2b34A1 GLN 59 HE22 0.23 -0.08 -0.01 -0.04 7.69 7.78 2b34A1 TYR 60 H 0.21 0.67 0.36 -0.55 8.29 8.98 2b34A1 TYR 60 HA 0.02 0.02 0.39 -0.75 4.56 4.24 2b34A1 TYR 60 HB2 0.04 0.08 0.13 -0.04 3.06 3.27 2b34A1 TYR 60 HB3 0.03 0.04 0.00 -0.04 2.98 3.01 2b34A1 TYR 60 HD2 -0.00 0.04 0.06 -0.04 7.15 7.21 2b34A1 TYR 60 HE2 -0.01 0.06 -0.01 -0.04 6.85 6.85 2b34A1 PRO 61 HA -0.18 0.24 0.27 -0.51 4.44 4.26 2b34A1 PRO 61 HB2 -0.37 0.00 -0.14 -0.04 2.28 1.73 2b34A1 PRO 61 HB3 -0.12 0.08 -0.08 -0.04 2.02 1.86 2b34A1 PRO 61 HG2 -0.03 0.02 -0.05 -0.04 2.03 1.93 2b34A1 PRO 61 HG3 0.06 0.06 -0.05 -0.04 2.03 2.06 2b34A1 PRO 61 HD2 0.02 0.03 0.09 -0.04 3.68 3.78 2b34A1 PRO 61 HD3 0.05 0.22 -0.38 -0.04 3.65 3.51 2b34A1 LYS 62 H -0.52 0.05 -0.49 -0.55 8.42 6.90 2b34A1 LYS 62 HA -0.25 0.11 0.51 -0.75 4.32 3.93 2b34A1 LYS 62 HB2 -0.34 -0.01 0.04 -0.04 1.87 1.52 2b34A1 LYS 62 HB3 -1.03 -0.02 0.01 -0.04 1.79 0.71 2b34A1 LYS 62 HG2 -0.18 0.03 -0.12 -0.04 1.46 1.15 2b34A1 LYS 62 HG3 -0.14 0.01 0.05 -0.04 1.46 1.34 2b34A1 LYS 62 HD2 -0.06 -0.00 -0.01 -0.04 1.69 1.57 2b34A1 LYS 62 HD3 -0.03 -0.01 -0.03 -0.04 1.68 1.56 2b34A1 LYS 62 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2b34A1 LYS 62 HE3 0.02 0.00 -0.01 -0.04 2.99 2.96 2b34A1 GLY 63 H -0.69 0.33 -0.00 -0.55 8.43 7.52 2b34A1 GLY 63 HA2 -0.08 0.18 0.79 -0.51 4.01 4.39 2b34A1 GLY 63 HA3 0.08 -0.00 0.30 -0.51 4.01 3.88 2b34A1 LEU 64 H -0.14 0.36 0.09 -0.55 8.37 8.13 2b34A1 LEU 64 HA -0.16 0.14 0.66 -0.75 4.35 4.24 2b34A1 LEU 64 HB2 0.01 0.32 -0.02 -0.04 1.64 1.91 2b34A1 LEU 64 HB3 -0.09 -0.14 0.02 -0.04 1.64 1.39 2b34A1 LEU 64 HG -0.28 -0.02 -0.11 -0.04 1.64 1.19 2b34A1 LEU 64 HD13 0.15 -0.01 -0.14 -0.04 0.93 0.88 2b34A1 LEU 64 HD23 0.13 0.01 -0.09 -0.04 0.89 0.90 2b34A1 GLY 65 H -0.20 0.23 -0.24 -0.55 8.43 7.68 2b34A1 GLY 65 HA2 -0.28 0.15 0.32 -0.51 4.01 3.69 2b34A1 GLY 65 HA3 -0.10 -0.03 0.50 -0.51 4.01 3.86 2b34A1 HIS 66 H 0.02 0.12 0.16 -0.55 8.41 8.16 2b34A1 HIS 66 HA 0.03 0.17 0.69 -0.75 4.63 4.78 2b34A1 HIS 66 HB2 0.01 0.04 0.02 -0.04 3.26 3.30 2b34A1 HIS 66 HB3 0.01 0.03 0.06 -0.04 3.20 3.26 2b34A1 HIS 66 HD2 -0.01 0.00 -0.01 -0.04 6.97 6.90 2b34A1 HIS 66 HE1 -0.02 -0.01 -0.11 -0.04 7.75 7.56 2b34A1 THR 67 H 0.15 0.12 0.03 -0.55 8.28 8.03 2b34A1 THR 67 HA 0.11 0.16 0.33 -0.75 4.39 4.23 2b34A1 THR 67 HB 0.04 0.00 -0.01 -0.04 4.32 4.32 2b34A1 THR 67 HG23 0.03 0.04 -0.11 -0.04 1.22 1.14 2b34A1 VAL 68 H 0.12 0.52 0.32 -0.55 8.24 8.64 2b34A1 VAL 68 HA 0.11 0.08 0.45 -0.75 4.13 4.01 2b34A1 VAL 68 HB 0.06 -0.01 0.12 -0.04 2.12 2.25 2b34A1 VAL 68 HG13 0.07 -0.06 -0.09 -0.04 0.97 0.86 2b34A1 VAL 68 HG23 0.28 0.03 -0.12 -0.04 0.95 1.10 2b34A1 PRO 69 HA 0.02 0.12 0.37 -0.51 4.44 4.44 2b34A1 PRO 69 HB2 0.03 -0.03 0.10 -0.04 2.28 2.33 2b34A1 PRO 69 HB3 0.02 0.08 0.07 -0.04 2.02 2.14 2b34A1 PRO 69 HG2 0.04 0.04 0.10 -0.04 2.03 2.16 2b34A1 PRO 69 HG3 0.04 0.08 0.11 -0.04 2.03 2.22 2b34A1 PRO 69 HD2 0.07 0.05 0.21 -0.04 3.68 3.97 2b34A1 PRO 69 HD3 0.07 0.20 0.21 -0.04 3.65 4.10 2b34A1 THR 70 H 0.03 0.10 -0.18 -0.55 8.28 7.67 2b34A1 THR 70 HA 0.00 0.09 0.31 -0.75 4.39 4.04 2b34A1 THR 70 HB -0.00 -0.01 -0.05 -0.04 4.32 4.22 2b34A1 THR 70 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.15 2b34A1 LEU 71 H 0.01 0.25 -0.29 -0.55 8.37 7.79 2b34A1 LEU 71 HA -0.01 0.07 0.44 -0.75 4.35 4.09 2b34A1 LEU 71 HB2 0.00 0.12 0.03 -0.04 1.64 1.76 2b34A1 LEU 71 HB3 -0.01 0.00 -0.05 -0.04 1.64 1.54 2b34A1 LEU 71 HG -0.02 -0.09 -0.01 -0.04 1.64 1.48 2b34A1 LEU 71 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.87 2b34A1 LEU 71 HD23 -0.04 0.02 -0.09 -0.04 0.89 0.74 2b34A1 LYS 72 H 0.00 0.32 -0.18 -0.55 8.42 8.01 2b34A1 LYS 72 HA -0.02 0.04 0.41 -0.75 4.32 4.00 2b34A1 LYS 72 HB2 -0.00 0.10 0.06 -0.04 1.87 1.99 2b34A1 LYS 72 HB3 -0.02 0.01 -0.04 -0.04 1.79 1.71 2b34A1 LYS 72 HG2 -0.01 -0.02 -0.06 -0.04 1.46 1.33 2b34A1 LYS 72 HG3 0.01 0.01 -0.20 -0.04 1.46 1.23 2b34A1 LYS 72 HD2 0.02 -0.04 -0.08 -0.04 1.69 1.54 2b34A1 LYS 72 HD3 -0.00 -0.00 -0.08 -0.04 1.68 1.55 2b34A1 LYS 72 HE2 -0.04 0.05 -0.05 -0.04 2.99 2.91 2b34A1 LYS 72 HE3 -0.04 -0.00 -0.05 -0.04 2.99 2.86 2b34A1 GLU 73 H -0.00 0.39 -0.25 -0.55 8.60 8.20 2b34A1 GLU 73 HA -0.01 0.02 0.36 -0.75 4.29 3.91 2b34A1 GLU 73 HB2 -0.00 0.18 0.09 -0.04 2.09 2.32 2b34A1 GLU 73 HB3 -0.01 -0.03 -0.03 -0.04 1.99 1.89 2b34A1 GLU 73 HG2 -0.00 -0.02 -0.00 -0.04 2.34 2.27 2b34A1 GLU 73 HG3 -0.00 0.13 -0.06 -0.04 2.34 2.37 2b34A1 GLY 74 H -0.01 0.24 -0.43 -0.55 8.43 7.68 2b34A1 GLY 74 HA2 -0.01 0.08 0.53 -0.51 4.01 4.10 2b34A1 GLY 74 HA3 -0.01 -0.06 0.21 -0.51 4.01 3.64 2b34A1 LEU 75 H -0.02 0.22 -0.30 -0.55 8.37 7.73 2b34A1 LEU 75 HA -0.02 -0.09 0.29 -0.75 4.35 3.78 2b34A1 LEU 75 HB2 -0.03 0.14 0.09 -0.04 1.64 1.80 2b34A1 LEU 75 HB3 -0.03 0.05 -0.01 -0.04 1.64 1.60 2b34A1 LEU 75 HG -0.02 0.14 0.05 -0.04 1.64 1.77 2b34A1 LEU 75 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.76 2b34A1 LEU 75 HD23 -0.03 -0.04 -0.07 -0.04 0.89 0.71 2b34A1 ALA 76 H -0.02 0.04 0.16 -0.55 8.40 8.04 2b34A1 ALA 76 HA -0.01 0.09 0.51 -0.75 4.34 4.18 2b34A1 ALA 76 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.44 2b34A1 GLU 77 H -0.01 0.12 0.15 -0.55 8.60 8.31 2b34A1 GLU 77 HA -0.02 0.14 0.17 -0.75 4.29 3.82 2b34A1 GLU 77 HB2 -0.01 0.02 0.15 -0.04 2.09 2.21 2b34A1 GLU 77 HB3 -0.01 -0.03 0.10 -0.04 1.99 2.01 2b34A1 GLU 77 HG2 -0.01 -0.01 -0.11 -0.04 2.34 2.16 2b34A1 GLU 77 HG3 -0.01 0.02 0.07 -0.04 2.34 2.38 2b34A1 ASN 78 H -0.02 0.07 -0.20 -0.55 8.53 7.84 2b34A1 ASN 78 HA -0.03 0.23 0.88 -0.75 4.76 5.09 2b34A1 ASN 78 HB2 -0.01 -0.00 0.09 -0.04 2.88 2.92 2b34A1 ASN 78 HB3 -0.01 -0.00 0.17 -0.04 2.79 2.90 2b34A1 ASN 78 HD21 -0.00 -0.01 -0.04 -0.04 7.03 6.94 2b34A1 ASN 78 HD22 -0.00 0.02 -0.01 -0.04 7.74 7.70 2b34A1 THR 79 H -0.04 0.38 -0.30 -0.55 8.28 7.77 2b34A1 THR 79 HA -0.06 0.14 0.46 -0.75 4.39 4.18 2b34A1 THR 79 HB -0.06 0.01 0.04 -0.04 4.32 4.27 2b34A1 THR 79 HG23 -0.09 0.05 -0.23 -0.04 1.22 0.91 2b34A1 PRO 80 HA -0.30 0.03 0.57 -0.51 4.44 4.22 2b34A1 PRO 80 HB2 -0.70 -0.07 0.05 -0.04 2.28 1.52 2b34A1 PRO 80 HB3 -0.51 -0.01 0.10 -0.04 2.02 1.55 2b34A1 PRO 80 HG2 -0.03 0.00 0.14 -0.04 2.03 2.11 2b34A1 PRO 80 HG3 -0.05 0.06 0.14 -0.04 2.03 2.14 2b34A1 PRO 80 HD2 -0.12 0.32 0.43 -0.04 3.68 4.27 2b34A1 PRO 80 HD3 -0.06 0.26 0.42 -0.04 3.65 4.23 2b34A1 ILE 81 H -0.41 0.20 0.17 -0.55 8.25 7.66 2b34A1 ILE 81 HA -0.29 0.31 0.87 -0.75 4.18 4.32 2b34A1 ILE 81 HB -0.13 -0.02 0.12 -0.04 1.89 1.82 2b34A1 ILE 81 HG12 -0.10 -0.04 -0.07 -0.04 1.49 1.24 2b34A1 ILE 81 HG13 -0.15 0.14 -0.51 -0.04 1.21 0.65 2b34A1 ILE 81 HG23 -0.03 -0.04 -0.25 -0.04 0.93 0.57 2b34A1 ILE 81 HD13 -0.07 -0.02 -0.07 -0.04 0.88 0.69 2b34A1 PHE 82 H -0.13 0.68 0.32 -0.55 8.34 8.65 2b34A1 PHE 82 HA 0.00 0.14 0.96 -0.75 4.62 4.96 2b34A1 PHE 82 HB2 -0.03 -0.01 0.07 -0.04 3.15 3.14 2b34A1 PHE 82 HB3 -0.00 0.06 0.05 -0.04 3.06 3.13 2b34A1 PHE 82 HD2 -0.04 0.02 -0.06 -0.04 7.28 7.15 2b34A1 PHE 82 HE2 -0.04 0.03 -0.08 -0.04 7.38 7.26 2b34A1 PHE 82 HZ -0.02 0.08 -0.00 -0.04 7.32 7.34 2b34A1 ASP 83 H 0.17 0.14 0.21 -0.55 8.40 8.38 2b34A1 ASP 83 HA 0.11 0.29 1.03 -0.75 4.63 5.31 2b34A1 ASP 83 HB2 0.08 -0.04 0.14 -0.04 2.71 2.86 2b34A1 ASP 83 HB3 0.09 0.00 0.08 -0.04 2.70 2.84 2b34A1 LYS 84 H 0.11 0.45 0.40 -0.55 8.42 8.83 2b34A1 LYS 84 HA 0.06 0.06 0.61 -0.75 4.32 4.30 2b34A1 LYS 84 HB2 0.05 -0.08 0.06 -0.04 1.87 1.86 2b34A1 LYS 84 HB3 0.07 0.12 -0.21 -0.04 1.79 1.73 2b34A1 LYS 84 HG2 0.10 -0.05 -0.30 -0.04 1.46 1.17 2b34A1 LYS 84 HG3 0.11 -0.06 -0.30 -0.04 1.46 1.17 2b34A1 LYS 84 HD2 0.09 0.29 -0.32 -0.04 1.69 1.71 2b34A1 LYS 84 HD3 0.08 -0.04 -0.23 -0.04 1.68 1.45 2b34A1 LYS 84 HE2 0.10 -0.04 -0.54 -0.04 2.99 2.47 2b34A1 LYS 84 HE3 0.10 -0.17 -0.28 -0.04 2.99 2.60 2b34A1 THR 85 H 0.02 0.04 0.21 -0.55 8.28 8.01 2b34A1 THR 85 HA 0.06 0.13 0.90 -0.75 4.39 4.73 2b34A1 THR 85 HB -0.08 0.03 0.05 -0.04 4.32 4.28 2b34A1 THR 85 HG23 0.05 -0.00 -0.03 -0.04 1.22 1.20 2b34A1 LYS 86 H -0.03 -0.07 0.14 -0.55 8.42 7.91 2b34A1 LYS 86 HA -0.25 0.06 0.57 -0.75 4.32 3.95 2b34A1 LYS 86 HB2 -0.02 -0.03 0.11 -0.04 1.87 1.89 2b34A1 LYS 86 HB3 -0.01 0.08 -0.11 -0.04 1.79 1.71 2b34A1 LYS 86 HG2 -0.10 -0.02 0.07 -0.04 1.46 1.38 2b34A1 LYS 86 HG3 -0.07 -0.02 0.05 -0.04 1.46 1.38 2b34A1 LYS 86 HD2 -0.03 0.02 0.01 -0.04 1.69 1.66 2b34A1 LYS 86 HD3 -0.02 0.02 0.01 -0.04 1.68 1.64 2b34A1 LYS 86 HE2 0.01 0.15 -0.05 -0.04 2.99 3.07 2b34A1 LYS 86 HE3 0.01 0.01 -0.10 -0.04 2.99 2.87 2b34A1 PHE 87 H -0.20 0.10 0.11 -0.55 8.34 7.80 2b34A1 PHE 87 HA 0.02 0.11 0.28 -0.75 4.62 4.27 2b34A1 PHE 87 HB2 -0.00 0.01 0.02 -0.04 3.15 3.14 2b34A1 PHE 87 HB3 -0.02 -0.08 -0.17 -0.04 3.06 2.75 2b34A1 PHE 87 HD2 0.01 0.03 -0.08 -0.04 7.28 7.20 2b34A1 PHE 87 HE2 0.00 0.02 -0.01 -0.04 7.38 7.35 2b34A1 PHE 87 HZ -0.01 0.01 0.00 -0.04 7.32 7.28 2b34A1 SER 88 H 0.11 0.01 -0.18 -0.55 8.46 7.85 2b34A1 SER 88 HA 0.11 0.11 0.43 -0.75 4.49 4.38 2b34A1 SER 88 HB2 0.09 0.03 -0.19 -0.04 3.95 3.85 2b34A1 SER 88 HB3 0.07 0.04 -0.07 -0.04 3.93 3.93 2b34A1 MET 89 H 0.13 0.15 0.08 -0.55 8.47 8.28 2b34A1 MET 89 HA 0.10 0.11 0.38 -0.75 4.52 4.36 2b34A1 MET 89 HB2 0.29 0.02 -0.05 -0.04 2.15 2.37 2b34A1 MET 89 HB3 0.15 0.03 -0.06 -0.04 2.03 2.11 2b34A1 MET 89 HG2 0.09 -0.03 -0.08 -0.04 2.63 2.57 2b34A1 MET 89 HG3 0.13 0.01 -0.05 -0.04 2.56 2.61 2b34A1 MET 89 HE3 -0.16 -0.01 -0.20 -0.04 2.10 1.69 2b34A1 CYS 90 H 0.12 -0.01 -0.45 -0.55 8.50 7.62 2b34A1 CYS 90 HA 0.15 0.14 0.42 -0.75 4.58 4.53 2b34A1 CYS 90 HB2 0.08 -0.07 0.04 -0.04 2.97 2.98 2b34A1 CYS 90 HB3 0.07 0.07 -0.05 -0.04 2.97 3.03 2b34A1 ILE 91 H 0.04 0.45 0.13 -0.55 8.25 8.31 2b34A1 ILE 91 HA -0.01 0.19 0.74 -0.75 4.18 4.34 2b34A1 ILE 91 HB -0.07 -0.00 0.06 -0.04 1.89 1.84 2b34A1 ILE 91 HG12 0.00 0.27 -0.03 -0.04 1.49 1.69 2b34A1 ILE 91 HG13 -0.16 -0.15 -0.09 -0.04 1.21 0.77 2b34A1 ILE 91 HG23 0.01 0.01 -0.19 -0.04 0.93 0.72 2b34A1 ILE 91 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.73 2b34A1 PRO 92 HA -0.04 0.06 0.38 -0.51 4.44 4.33 2b34A1 PRO 92 HB2 -0.09 0.05 0.09 -0.04 2.28 2.29 2b34A1 PRO 92 HB3 -0.05 0.04 0.08 -0.04 2.02 2.05 2b34A1 PRO 92 HG2 -0.04 0.03 0.09 -0.04 2.03 2.07 2b34A1 PRO 92 HG3 -0.03 0.06 0.09 -0.04 2.03 2.11 2b34A1 PRO 92 HD2 -0.05 0.09 0.19 -0.04 3.68 3.86 2b34A1 PRO 92 HD3 -0.03 0.16 0.18 -0.04 3.65 3.92 2b34A1 PRO 93 HA -0.23 0.07 0.44 -0.51 4.44 4.21 2b34A1 PRO 93 HB2 -1.67 0.05 -0.08 -0.04 2.28 0.54 2b34A1 PRO 93 HB3 -1.15 0.04 0.09 -0.04 2.02 0.95 2b34A1 PRO 93 HG2 -0.55 0.05 0.03 -0.04 2.03 1.51 2b34A1 PRO 93 HG3 -0.33 0.04 0.05 -0.04 2.03 1.74 2b34A1 PRO 93 HD2 -0.26 0.05 -0.24 -0.04 3.68 3.19 2b34A1 PRO 93 HD3 -0.17 0.09 0.07 -0.04 3.65 3.59 2b34A1 THR 94 H -0.12 0.63 -0.34 -0.55 8.28 7.90 2b34A1 THR 94 HA 0.08 0.15 0.75 -0.75 4.39 4.63 2b34A1 THR 94 HB 0.22 -0.03 0.05 -0.04 4.32 4.52 2b34A1 THR 94 HG23 0.02 0.01 -0.06 -0.04 1.22 1.15 2b34A1 GLU 95 H -0.01 0.49 -0.14 -0.55 8.60 8.39 2b34A1 GLU 95 HA 0.05 0.07 0.28 -0.75 4.29 3.94 2b34A1 GLU 95 HB2 0.00 0.08 0.15 -0.04 2.09 2.28 2b34A1 GLU 95 HB3 0.02 0.01 -0.01 -0.04 1.99 1.96 2b34A1 GLU 95 HG2 0.02 0.01 -0.09 -0.04 2.34 2.25 2b34A1 GLU 95 HG3 0.00 0.02 -0.06 -0.04 2.34 2.26 2b34A1 ASP 96 H 0.03 0.16 -0.12 -0.55 8.40 7.92 2b34A1 ASP 96 HA 0.03 0.08 0.35 -0.75 4.63 4.35 2b34A1 ASP 96 HB2 0.04 0.02 0.05 -0.04 2.71 2.77 2b34A1 ASP 96 HB3 0.04 0.06 -0.05 -0.04 2.70 2.70 2b34A1 THR 97 H 0.09 0.10 -0.34 -0.55 8.28 7.59 2b34A1 THR 97 HA 0.08 0.08 0.47 -0.75 4.39 4.27 2b34A1 THR 97 HB 0.20 0.13 0.05 -0.04 4.32 4.65 2b34A1 THR 97 HG23 0.19 0.00 -0.17 -0.04 1.22 1.20 2b34A1 LEU 98 H 0.12 0.38 -0.19 -0.55 8.37 8.13 2b34A1 LEU 98 HA 0.06 0.03 0.28 -0.75 4.35 3.97 2b34A1 LEU 98 HB2 0.07 0.07 0.07 -0.04 1.64 1.81 2b34A1 LEU 98 HB3 0.04 0.03 -0.04 -0.04 1.64 1.62 2b34A1 LEU 98 HG 0.25 0.15 -0.04 -0.04 1.64 1.97 2b34A1 LEU 98 HD13 0.11 -0.04 -0.17 -0.04 0.93 0.79 2b34A1 LEU 98 HD23 -0.10 -0.01 -0.15 -0.04 0.89 0.58 2b34A1 LYS 99 H 0.05 0.32 -0.25 -0.55 8.42 7.98 2b34A1 LYS 99 HA 0.02 0.13 0.58 -0.75 4.32 4.29 2b34A1 LYS 99 HB2 0.03 0.03 0.09 -0.04 1.87 1.98 2b34A1 LYS 99 HB3 0.02 -0.05 0.05 -0.04 1.79 1.77 2b34A1 LYS 99 HG2 0.02 0.02 0.03 -0.04 1.46 1.48 2b34A1 LYS 99 HG3 0.03 0.04 -0.03 -0.04 1.46 1.45 2b34A1 LYS 99 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 2b34A1 LYS 99 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.59 2b34A1 LYS 99 HE2 0.02 0.00 -0.16 -0.04 2.99 2.81 2b34A1 LYS 99 HE3 0.02 -0.01 -0.25 -0.04 2.99 2.71 2b34A1 LYS 100 H 0.04 0.29 -0.46 -0.55 8.42 7.74 2b34A1 LYS 100 HA 0.02 0.08 0.72 -0.75 4.32 4.39 2b34A1 LYS 100 HB2 0.04 0.16 0.13 -0.04 1.87 2.16 2b34A1 LYS 100 HB3 0.03 -0.03 0.07 -0.04 1.79 1.82 2b34A1 LYS 100 HG2 0.02 -0.04 0.02 -0.04 1.46 1.43 2b34A1 LYS 100 HG3 0.03 0.05 -0.02 -0.04 1.46 1.48 2b34A1 LYS 100 HD2 0.03 -0.09 -0.00 -0.04 1.69 1.59 2b34A1 LYS 100 HD3 0.04 -0.01 0.01 -0.04 1.68 1.68 2b34A1 LYS 100 HE2 0.03 0.09 0.04 -0.04 2.99 3.11 2b34A1 LYS 100 HE3 0.02 -0.04 0.04 -0.04 2.99 2.98 2b34A1 VAL 101 H 0.03 0.22 -0.26 -0.55 8.24 7.68 2b34A1 VAL 101 HA 0.01 0.19 0.93 -0.75 4.13 4.51 2b34A1 VAL 101 HB 0.00 0.00 -0.05 -0.04 2.12 2.03 2b34A1 VAL 101 HG13 0.03 0.00 -0.45 -0.04 0.97 0.51 2b34A1 VAL 101 HG23 0.01 0.01 -0.17 -0.04 0.95 0.75 2b34A1 GLN 102 H 0.00 0.48 0.34 -0.55 8.47 8.75 2b34A1 GLN 102 HA 0.00 0.24 0.90 -0.75 4.36 4.75 2b34A1 GLN 102 HB2 0.01 -0.01 0.13 -0.04 2.15 2.23 2b34A1 GLN 102 HB3 0.01 -0.05 0.14 -0.04 2.02 2.08 2b34A1 GLN 102 HG2 0.01 0.05 -0.00 -0.04 2.40 2.42 2b34A1 GLN 102 HG3 0.01 0.02 -0.26 -0.04 2.39 2.12 2b34A1 GLN 102 HE21 0.01 -0.06 -0.00 -0.04 6.97 6.87 2b34A1 GLN 102 HE22 0.01 0.03 -0.01 -0.04 7.69 7.68 2b34A1 ASN 103 H -0.01 0.41 0.34 -0.55 8.53 8.72 2b34A1 ASN 103 HA 0.04 0.28 1.03 -0.75 4.76 5.35 2b34A1 ASN 103 HB2 -0.07 -0.03 -0.01 -0.04 2.88 2.73 2b34A1 ASN 103 HB3 -0.12 -0.04 -0.11 -0.04 2.79 2.48 2b34A1 ASN 103 HD21 0.01 0.04 -0.25 -0.04 7.03 6.79 2b34A1 ASN 103 HD22 -0.02 0.03 -0.15 -0.04 7.74 7.55 2b34A1 VAL 104 H 0.02 0.82 0.32 -0.55 8.24 8.85 2b34A1 VAL 104 HA -0.11 0.25 1.04 -0.75 4.13 4.56 2b34A1 VAL 104 HB -0.20 -0.02 0.02 -0.04 2.12 1.88 2b34A1 VAL 104 HG13 -0.50 -0.03 -0.28 -0.04 0.97 0.12 2b34A1 VAL 104 HG23 -0.42 0.01 -0.23 -0.04 0.95 0.26 2b34A1 ILE 105 H -0.02 0.80 0.33 -0.55 8.25 8.81 2b34A1 ILE 105 HA 0.05 0.19 0.92 -0.75 4.18 4.58 2b34A1 ILE 105 HB 0.01 -0.01 0.12 -0.04 1.89 1.97 2b34A1 ILE 105 HG12 -0.12 -0.02 -0.10 -0.04 1.49 1.22 2b34A1 ILE 105 HG13 -0.09 -0.01 -0.17 -0.04 1.21 0.89 2b34A1 ILE 105 HG23 0.01 -0.02 -0.12 -0.04 0.93 0.76 2b34A1 ILE 105 HD13 -0.07 0.00 -0.18 -0.04 0.88 0.59 2b34A1 LEU 106 H 0.05 0.68 0.31 -0.55 8.37 8.87 2b34A1 LEU 106 HA 0.10 0.28 1.08 -0.75 4.35 5.06 2b34A1 LEU 106 HB2 0.03 0.02 -0.22 -0.04 1.64 1.43 2b34A1 LEU 106 HB3 0.04 -0.06 0.02 -0.04 1.64 1.60 2b34A1 LEU 106 HG 0.06 -0.06 -0.25 -0.04 1.64 1.35 2b34A1 LEU 106 HD13 0.14 0.03 -0.05 -0.04 0.93 1.01 2b34A1 LEU 106 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.76 2b34A1 VAL 107 H 0.08 0.71 0.42 -0.55 8.24 8.89 2b34A1 VAL 107 HA 0.04 0.15 0.77 -0.75 4.13 4.34 2b34A1 VAL 107 HB 0.00 0.08 0.22 -0.04 2.12 2.38 2b34A1 VAL 107 HG13 0.01 -0.01 -0.12 -0.04 0.97 0.81 2b34A1 VAL 107 HG23 0.02 0.01 0.00 -0.04 0.95 0.94 2b34A1 GLY 108 H 0.01 0.62 0.35 -0.55 8.43 8.87 2b34A1 GLY 108 HA2 -0.03 -0.01 0.32 -0.51 4.01 3.78 2b34A1 GLY 108 HA3 -0.01 0.18 1.09 -0.51 4.01 4.76 2b34A1 ILE 109 H -0.09 0.55 0.19 -0.55 8.25 8.35 2b34A1 ILE 109 HA -0.05 0.24 1.09 -0.75 4.18 4.70 2b34A1 ILE 109 HB -0.21 -0.21 0.00 -0.04 1.89 1.43 2b34A1 ILE 109 HG12 -0.17 -0.03 -0.13 -0.04 1.49 1.12 2b34A1 ILE 109 HG13 -0.49 0.05 -0.11 -0.04 1.21 0.62 2b34A1 ILE 109 HG23 0.02 0.01 -0.23 -0.04 0.93 0.70 2b34A1 ILE 109 HD13 -0.53 0.01 0.01 -0.04 0.88 0.33 2b34A1 GLU 110 H -0.11 0.18 0.21 -0.55 8.60 8.34 2b34A1 GLU 110 HA -0.05 -0.03 0.46 -0.75 4.29 3.92 2b34A1 GLU 110 HB2 -0.38 -0.12 0.24 -0.04 2.09 1.79 2b34A1 GLU 110 HB3 -0.17 0.11 0.25 -0.04 1.99 2.14 2b34A1 GLU 110 HG2 -0.20 0.41 0.36 -0.04 2.34 2.87 2b34A1 GLU 110 HG3 -0.17 -0.38 0.45 -0.04 2.34 2.20 2b34A1 ALA 111 H 0.01 0.45 0.10 -0.55 8.40 8.42 2b34A1 ALA 111 HA -0.04 0.14 0.33 -0.75 4.34 4.02 2b34A1 ALA 111 HB3 -0.15 0.02 -0.11 -0.04 1.41 1.14 2b34A1 HIS 112 H 0.24 -0.02 -0.35 -0.55 8.41 7.73 2b34A1 HIS 112 HA -0.10 0.24 0.55 -0.75 4.63 4.57 2b34A1 HIS 112 HB2 -0.05 0.09 0.10 -0.04 3.26 3.37 2b34A1 HIS 112 HB3 -0.07 0.16 -0.06 -0.04 3.20 3.18 2b34A1 HIS 112 HD2 -0.04 0.09 -0.05 -0.04 6.97 6.92 2b34A1 HIS 112 HE1 -0.05 -0.09 0.10 -0.04 7.75 7.66 2b34A1 VAL 113 H -0.30 0.24 -0.64 -0.55 8.24 7.00 2b34A1 VAL 113 HA -0.26 0.26 0.82 -0.75 4.13 4.19 2b34A1 VAL 113 HB -0.47 -0.10 0.22 -0.04 2.12 1.72 2b34A1 VAL 113 HG13 -0.83 0.03 -0.01 -0.04 0.97 0.11 2b34A1 VAL 113 HG23 -0.86 -0.01 -0.17 -0.04 0.95 -0.13 2b34A1 CYS 114 H -0.21 0.15 0.19 -0.55 8.50 8.08 2b34A1 CYS 114 HA 0.04 0.12 0.26 -0.75 4.58 4.25 2b34A1 CYS 114 HB2 0.00 -0.03 0.15 -0.04 2.97 3.05 2b34A1 CYS 114 HB3 -0.06 0.24 0.17 -0.04 2.97 3.28 2b34A1 VAL 115 H -0.07 0.50 -0.21 -0.55 8.24 7.91 2b34A1 VAL 115 HA 0.01 0.05 0.17 -0.75 4.13 3.61 2b34A1 VAL 115 HB -0.03 0.03 0.02 -0.04 2.12 2.10 2b34A1 VAL 115 HG13 0.04 0.01 -0.22 -0.04 0.97 0.76 2b34A1 VAL 115 HG23 -0.01 0.06 -0.45 -0.04 0.95 0.52 2b34A1 LEU 116 H -0.10 0.08 -0.43 -0.55 8.37 7.37 2b34A1 LEU 116 HA -0.21 0.08 0.40 -0.75 4.35 3.87 2b34A1 LEU 116 HB2 -0.14 0.14 0.10 -0.04 1.64 1.70 2b34A1 LEU 116 HB3 -0.17 0.01 -0.24 -0.04 1.64 1.20 2b34A1 LEU 116 HG -0.67 -0.01 -0.28 -0.04 1.64 0.64 2b34A1 LEU 116 HD13 -0.42 0.01 -0.06 -0.04 0.93 0.43 2b34A1 LEU 116 HD23 -0.06 0.01 -0.02 -0.04 0.89 0.78 2b34A1 GLN 117 H -0.09 0.71 -0.19 -0.55 8.47 8.35 2b34A1 GLN 117 HA -0.03 0.05 0.37 -0.75 4.36 4.00 2b34A1 GLN 117 HB2 0.07 0.06 -0.10 -0.04 2.15 2.14 2b34A1 GLN 117 HB3 0.10 -0.09 -0.07 -0.04 2.02 1.92 2b34A1 GLN 117 HG2 0.01 0.18 -0.00 -0.04 2.40 2.54 2b34A1 GLN 117 HG3 0.18 -0.12 -0.06 -0.04 2.39 2.35 2b34A1 GLN 117 HE21 0.13 0.02 -0.05 -0.04 6.97 7.03 2b34A1 GLN 117 HE22 0.03 0.04 -0.03 -0.04 7.69 7.69 2b34A1 THR 118 H 0.02 0.76 -0.18 -0.55 8.28 8.32 2b34A1 THR 118 HA 0.08 -0.11 0.48 -0.75 4.39 4.09 2b34A1 THR 118 HB 0.06 0.15 0.08 -0.04 4.32 4.57 2b34A1 THR 118 HG23 0.16 -0.00 -0.17 -0.04 1.22 1.17 2b34A1 THR 119 H -0.02 0.58 -0.22 -0.55 8.28 8.07 2b34A1 THR 119 HA 0.02 -0.01 0.31 -0.75 4.39 3.95 2b34A1 THR 119 HB -0.12 0.13 0.20 -0.04 4.32 4.48 2b34A1 THR 119 HG23 0.05 -0.02 -0.13 -0.04 1.22 1.08 2b34A1 TYR 120 H -0.00 0.56 -0.14 -0.55 8.29 8.16 2b34A1 TYR 120 HA 0.02 0.07 0.41 -0.75 4.56 4.30 2b34A1 TYR 120 HB2 0.03 0.04 0.13 -0.04 3.06 3.22 2b34A1 TYR 120 HB3 0.02 -0.03 -0.05 -0.04 2.98 2.89 2b34A1 TYR 120 HD2 0.03 -0.03 -0.06 -0.04 7.15 7.05 2b34A1 TYR 120 HE2 0.03 0.03 -0.07 -0.04 6.85 6.80 2b34A1 ASP 121 H 0.14 0.51 -0.13 -0.55 8.40 8.37 2b34A1 ASP 121 HA 0.08 0.01 0.44 -0.75 4.63 4.41 2b34A1 ASP 121 HB2 0.08 0.06 0.19 -0.04 2.71 3.00 2b34A1 ASP 121 HB3 0.07 -0.02 -0.04 -0.04 2.70 2.67 2b34A1 LEU 122 H 0.05 0.65 -0.16 -0.55 8.37 8.37 2b34A1 LEU 122 HA 0.00 0.01 0.39 -0.75 4.35 4.00 2b34A1 LEU 122 HB2 -0.01 0.10 0.05 -0.04 1.64 1.75 2b34A1 LEU 122 HB3 -0.05 0.01 -0.19 -0.04 1.64 1.37 2b34A1 LEU 122 HG -0.01 0.03 -0.09 -0.04 1.64 1.52 2b34A1 LEU 122 HD13 -0.17 -0.03 -0.22 -0.04 0.93 0.47 2b34A1 LEU 122 HD23 -0.19 -0.00 -0.14 -0.04 0.89 0.51 2b34A1 LEU 123 H 0.06 0.56 -0.10 -0.55 8.37 8.34 2b34A1 LEU 123 HA 0.01 0.24 0.44 -0.75 4.35 4.30 2b34A1 LEU 123 HB2 0.08 0.01 0.14 -0.04 1.64 1.83 2b34A1 LEU 123 HB3 0.03 0.02 0.02 -0.04 1.64 1.67 2b34A1 LEU 123 HG 0.05 0.05 0.01 -0.04 1.64 1.71 2b34A1 LEU 123 HD13 0.11 0.01 -0.22 -0.04 0.93 0.79 2b34A1 LEU 123 HD23 0.01 0.06 -0.06 -0.04 0.89 0.86 2b34A1 GLU 124 H 0.04 0.48 -0.22 -0.55 8.60 8.35 2b34A1 GLU 124 HA 0.00 0.02 0.49 -0.75 4.29 4.05 2b34A1 GLU 124 HB2 0.03 0.13 0.17 -0.04 2.09 2.38 2b34A1 GLU 124 HB3 0.01 -0.07 -0.01 -0.04 1.99 1.88 2b34A1 GLU 124 HG2 -0.01 -0.06 0.05 -0.04 2.34 2.28 2b34A1 GLU 124 HG3 0.00 0.09 0.05 -0.04 2.34 2.45 2b34A1 ARG 125 H 0.02 0.34 -0.34 -0.55 8.46 7.92 2b34A1 ARG 125 HA 0.01 0.03 0.54 -0.75 4.34 4.16 2b34A1 ARG 125 HB2 0.01 0.13 0.12 -0.04 1.90 2.12 2b34A1 ARG 125 HB3 0.01 -0.00 0.08 -0.04 1.80 1.85 2b34A1 ARG 125 HG2 0.02 -0.05 -0.00 -0.04 1.67 1.59 2b34A1 ARG 125 HG3 0.02 -0.01 -0.03 -0.04 1.67 1.61 2b34A1 ARG 125 HD2 0.03 0.03 -0.12 -0.04 3.22 3.12 2b34A1 ARG 125 HD3 0.03 0.01 -0.07 -0.04 3.22 3.14 2b34A1 GLY 126 H 0.01 0.37 -0.63 -0.55 8.43 7.63 2b34A1 GLY 126 HA2 0.00 0.04 0.27 -0.51 4.01 3.81 2b34A1 GLY 126 HA3 0.00 0.01 0.48 -0.51 4.01 3.99 2b34A1 LEU 127 H -0.00 0.28 -0.17 -0.55 8.37 7.93 2b34A1 LEU 127 HA -0.00 0.21 0.67 -0.75 4.35 4.47 2b34A1 LEU 127 HB2 -0.03 0.01 -0.13 -0.04 1.64 1.44 2b34A1 LEU 127 HB3 -0.04 -0.04 -0.24 -0.04 1.64 1.28 2b34A1 LEU 127 HG -0.01 0.10 -0.21 -0.04 1.64 1.49 2b34A1 LEU 127 HD13 -0.03 -0.03 -0.09 -0.04 0.93 0.73 2b34A1 LEU 127 HD23 -0.04 0.02 -0.33 -0.04 0.89 0.50 2b34A1 ASN 128 H 0.02 0.72 0.34 -0.55 8.53 9.07 2b34A1 ASN 128 HA -0.01 0.15 0.81 -0.75 4.76 4.96 2b34A1 ASN 128 HB2 0.16 -0.08 0.12 -0.04 2.88 3.03 2b34A1 ASN 128 HB3 0.02 -0.02 0.02 -0.04 2.79 2.77 2b34A1 ASN 128 HD21 0.03 -0.00 0.02 -0.04 7.03 7.03 2b34A1 ASN 128 HD22 0.07 -0.09 -0.05 -0.04 7.74 7.63 2b34A1 VAL 129 H -0.06 0.26 0.14 -0.55 8.24 8.03 2b34A1 VAL 129 HA 0.04 0.26 1.00 -0.75 4.13 4.67 2b34A1 VAL 129 HB -0.02 -0.05 0.11 -0.04 2.12 2.13 2b34A1 VAL 129 HG13 -0.00 -0.03 -0.19 -0.04 0.97 0.70 2b34A1 VAL 129 HG23 -0.01 0.06 -0.21 -0.04 0.95 0.75 2b34A1 HIS 130 H 0.20 0.88 0.31 -0.55 8.41 9.25 2b34A1 HIS 130 HA -0.03 0.19 0.96 -0.75 4.63 5.00 2b34A1 HIS 130 HB2 -0.02 -0.03 0.14 -0.04 3.26 3.31 2b34A1 HIS 130 HB3 -0.03 -0.06 -0.03 -0.04 3.20 3.04 2b34A1 HIS 130 HD2 -0.02 -0.04 -0.09 -0.04 6.97 6.76 2b34A1 HIS 130 HE1 -0.02 0.03 -0.23 -0.04 7.75 7.48 2b34A1 VAL 131 H -0.02 0.81 0.25 -0.55 8.24 8.73 2b34A1 VAL 131 HA 0.04 0.12 0.69 -0.75 4.13 4.21 2b34A1 VAL 131 HB -0.02 0.02 0.11 -0.04 2.12 2.19 2b34A1 VAL 131 HG13 0.12 -0.02 -0.23 -0.04 0.97 0.80 2b34A1 VAL 131 HG23 0.03 0.01 -0.15 -0.04 0.95 0.81 2b34A1 VAL 132 H 0.02 0.63 0.25 -0.55 8.24 8.59 2b34A1 VAL 132 HA -0.04 0.14 0.44 -0.75 4.13 3.92 2b34A1 VAL 132 HB 0.01 0.03 0.16 -0.04 2.12 2.27 2b34A1 VAL 132 HG13 -0.02 -0.07 -0.22 -0.04 0.97 0.62 2b34A1 VAL 132 HG23 0.01 0.05 -0.14 -0.04 0.95 0.83 2b34A1 VAL 133 H -0.16 0.80 0.36 -0.55 8.24 8.68 2b34A1 VAL 133 HA -0.18 0.07 0.21 -0.75 4.13 3.48 2b34A1 VAL 133 HB -0.78 -0.01 0.07 -0.04 2.12 1.36 2b34A1 VAL 133 HG13 -0.87 0.05 0.03 -0.04 0.97 0.15 2b34A1 VAL 133 HG23 -0.23 0.07 -0.02 -0.04 0.95 0.72 2b34A1 ASP 134 H -0.08 0.03 -0.11 -0.55 8.40 7.70 2b34A1 ASP 134 HA -0.03 0.21 0.73 -0.75 4.63 4.78 2b34A1 ASP 134 HB2 -0.05 0.14 0.15 -0.04 2.71 2.91 2b34A1 ASP 134 HB3 -0.07 -0.01 0.08 -0.04 2.70 2.65 2b34A1 ALA 135 H 0.01 0.45 -0.39 -0.55 8.40 7.92 2b34A1 ALA 135 HA -0.01 0.14 0.79 -0.75 4.34 4.51 2b34A1 ALA 135 HB3 -0.01 0.00 0.02 -0.04 1.41 1.39 2b34A1 VAL 136 H 0.10 0.31 -0.07 -0.55 8.24 8.03 2b34A1 VAL 136 HA 0.06 0.32 0.99 -0.75 4.13 4.75 2b34A1 VAL 136 HB 0.31 -0.01 0.03 -0.04 2.12 2.41 2b34A1 VAL 136 HG13 0.13 -0.01 -0.13 -0.04 0.97 0.92 2b34A1 VAL 136 HG23 0.09 0.02 -0.17 -0.04 0.95 0.85 2b34A1 SER 137 H 0.04 0.32 0.25 -0.55 8.46 8.52 2b34A1 SER 137 HA 0.05 0.13 0.65 -0.75 4.49 4.57 2b34A1 SER 137 HB2 0.14 0.10 -0.32 -0.04 3.95 3.83 2b34A1 SER 137 HB3 0.12 -0.04 -0.14 -0.04 3.93 3.83 2b34A1 SER 138 H 0.05 0.34 0.20 -0.55 8.46 8.50 2b34A1 SER 138 HA 0.07 0.05 0.90 -0.75 4.49 4.75 2b34A1 SER 138 HB2 -0.05 0.23 0.07 -0.04 3.95 4.15 2b34A1 SER 138 HB3 0.01 -0.10 0.21 -0.04 3.93 4.01 2b34A1 ARG 139 H 0.08 0.10 0.25 -0.55 8.46 8.34 2b34A1 ARG 139 HA -0.00 0.20 0.67 -0.75 4.34 4.45 2b34A1 ARG 139 HB2 0.06 0.15 0.28 -0.04 1.90 2.35 2b34A1 ARG 139 HB3 0.03 -0.14 0.21 -0.04 1.80 1.86 2b34A1 ARG 139 HG2 -0.03 -0.08 -0.13 -0.04 1.67 1.40 2b34A1 ARG 139 HG3 -0.02 0.07 0.10 -0.04 1.67 1.78 2b34A1 ARG 139 HD2 -0.01 0.01 0.04 -0.04 3.22 3.22 2b34A1 ARG 139 HD3 0.02 0.06 0.10 -0.04 3.22 3.36 2b34A1 SER 140 H -0.08 0.00 0.03 -0.55 8.46 7.86 2b34A1 SER 140 HA -0.14 0.28 0.91 -0.75 4.49 4.79 2b34A1 SER 140 HB2 -0.07 0.17 0.06 -0.04 3.95 4.07 2b34A1 SER 140 HB3 -0.13 -0.04 0.15 -0.04 3.93 3.87 2b34A1 HIS 141 H -0.16 0.27 0.16 -0.55 8.41 8.14 2b34A1 HIS 141 HA 0.05 0.12 0.48 -0.75 4.63 4.53 2b34A1 HIS 141 HB2 0.02 -0.02 0.14 -0.04 3.26 3.36 2b34A1 HIS 141 HB3 0.05 0.09 0.01 -0.04 3.20 3.31 2b34A1 HIS 141 HD2 0.22 0.04 0.01 -0.04 6.97 7.19 2b34A1 HIS 141 HE1 -0.03 0.03 0.03 -0.04 7.75 7.74 2b34A1 THR 142 H 0.08 0.10 -0.09 -0.55 8.28 7.82 2b34A1 THR 142 HA 0.18 0.15 0.43 -0.75 4.39 4.40 2b34A1 THR 142 HB 0.03 -0.05 0.06 -0.04 4.32 4.32 2b34A1 THR 142 HG23 0.14 0.03 -0.06 -0.04 1.22 1.29 2b34A1 ASP 143 H -0.07 0.02 -0.24 -0.55 8.40 7.57 2b34A1 ASP 143 HA -0.12 0.13 0.40 -0.75 4.63 4.29 2b34A1 ASP 143 HB2 -0.36 0.01 0.14 -0.04 2.71 2.46 2b34A1 ASP 143 HB3 -1.18 -0.06 -0.02 -0.04 2.70 1.41 2b34A1 ARG 144 H -0.08 0.40 -0.19 -0.55 8.46 8.04 2b34A1 ARG 144 HA -0.28 -0.05 0.34 -0.75 4.34 3.60 2b34A1 ARG 144 HB2 -0.05 -0.14 0.11 -0.04 1.90 1.78 2b34A1 ARG 144 HB3 0.01 0.17 0.15 -0.04 1.80 2.09 2b34A1 ARG 144 HG2 -0.50 0.06 -0.16 -0.04 1.67 1.03 2b34A1 ARG 144 HG3 -0.24 -0.10 -0.03 -0.04 1.67 1.25 2b34A1 ARG 144 HD2 0.14 -0.17 0.11 -0.04 3.22 3.27 2b34A1 ARG 144 HD3 0.18 0.04 0.02 -0.04 3.22 3.42 2b34A1 HIS 145 H 0.09 0.57 -0.08 -0.55 8.41 8.44 2b34A1 HIS 145 HA -0.04 0.06 0.39 -0.75 4.63 4.30 2b34A1 HIS 145 HB2 -0.02 0.09 0.15 -0.04 3.26 3.44 2b34A1 HIS 145 HB3 -0.08 0.03 0.18 -0.04 3.20 3.29 2b34A1 HIS 145 HD2 -0.04 0.04 0.03 -0.04 6.97 6.96 2b34A1 HIS 145 HE1 -0.38 0.01 -0.03 -0.04 7.75 7.31 2b34A1 PHE 146 H 0.24 0.51 -0.13 -0.55 8.34 8.40 2b34A1 PHE 146 HA 0.01 0.07 0.54 -0.75 4.62 4.48 2b34A1 PHE 146 HB2 0.02 0.08 0.09 -0.04 3.15 3.30 2b34A1 PHE 146 HB3 0.03 -0.01 0.05 -0.04 3.06 3.09 2b34A1 PHE 146 HD2 0.08 0.10 0.06 -0.04 7.28 7.47 2b34A1 PHE 146 HE2 0.05 -0.01 -0.01 -0.04 7.38 7.38 2b34A1 PHE 146 HZ 0.07 0.01 -0.01 -0.04 7.32 7.34 2b34A1 ALA 147 H -0.05 0.38 -0.33 -0.55 8.40 7.85 2b34A1 ALA 147 HA 0.01 0.02 0.46 -0.75 4.34 4.08 2b34A1 ALA 147 HB3 -0.20 0.09 -0.15 -0.04 1.41 1.11 2b34A1 PHE 148 H -0.29 0.48 -0.20 -0.55 8.34 7.78 2b34A1 PHE 148 HA -0.04 0.02 0.32 -0.75 4.62 4.16 2b34A1 PHE 148 HB2 -0.17 0.19 0.14 -0.04 3.15 3.27 2b34A1 PHE 148 HB3 -0.10 -0.02 0.02 -0.04 3.06 2.92 2b34A1 PHE 148 HD2 -0.07 -0.01 -0.04 -0.04 7.28 7.13 2b34A1 PHE 148 HE2 -0.01 -0.03 -0.07 -0.04 7.38 7.23 2b34A1 PHE 148 HZ -0.01 0.30 0.10 -0.04 7.32 7.68 2b34A1 LYS 149 H -0.01 0.26 -0.20 -0.55 8.42 7.91 2b34A1 LYS 149 HA 0.01 0.05 0.46 -0.75 4.32 4.09 2b34A1 LYS 149 HB2 0.11 0.09 0.17 -0.04 1.87 2.19 2b34A1 LYS 149 HB3 0.07 -0.01 0.03 -0.04 1.79 1.83 2b34A1 LYS 149 HG2 -0.20 -0.01 0.04 -0.04 1.46 1.25 2b34A1 LYS 149 HG3 -0.42 0.20 0.08 -0.04 1.46 1.28 2b34A1 LYS 149 HD2 -0.59 -0.03 -0.04 -0.04 1.69 0.98 2b34A1 LYS 149 HD3 0.01 -0.01 0.00 -0.04 1.68 1.64 2b34A1 LYS 149 HE2 -0.11 0.01 -0.00 -0.04 2.99 2.85 2b34A1 LYS 149 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.94 2b34A1 GLN 150 H 0.10 0.62 -0.09 -0.55 8.47 8.55 2b34A1 GLN 150 HA 0.14 0.02 0.45 -0.75 4.36 4.21 2b34A1 GLN 150 HB2 0.07 0.09 0.14 -0.04 2.15 2.42 2b34A1 GLN 150 HB3 0.20 -0.03 0.02 -0.04 2.02 2.17 2b34A1 GLN 150 HG2 0.14 -0.04 0.03 -0.04 2.40 2.49 2b34A1 GLN 150 HG3 0.16 0.15 0.10 -0.04 2.39 2.75 2b34A1 GLN 150 HE21 0.09 -0.08 -0.10 -0.04 6.97 6.84 2b34A1 GLN 150 HE22 0.14 0.14 -0.49 -0.04 7.69 7.44 2b34A1 MET 151 H 0.08 0.54 -0.17 -0.55 8.47 8.37 2b34A1 MET 151 HA 0.10 0.02 0.43 -0.75 4.52 4.31 2b34A1 MET 151 HB2 0.11 0.11 0.12 -0.04 2.15 2.45 2b34A1 MET 151 HB3 0.06 -0.05 -0.07 -0.04 2.03 1.93 2b34A1 MET 151 HG2 -0.02 -0.04 -0.04 -0.04 2.63 2.49 2b34A1 MET 151 HG3 -0.00 0.13 0.01 -0.04 2.56 2.65 2b34A1 MET 151 HE3 -0.02 -0.08 -0.21 -0.04 2.10 1.76 2b34A1 GLU 152 H 0.06 0.53 -0.10 -0.55 8.60 8.55 2b34A1 GLU 152 HA 0.01 0.25 0.55 -0.75 4.29 4.34 2b34A1 GLU 152 HB2 -0.01 0.00 0.14 -0.04 2.09 2.18 2b34A1 GLU 152 HB3 0.00 0.01 0.14 -0.04 1.99 2.10 2b34A1 GLU 152 HG2 0.02 0.13 0.15 -0.04 2.34 2.60 2b34A1 GLU 152 HG3 0.01 0.00 -0.24 -0.04 2.34 2.07 2b34A1 GLN 153 H 0.07 0.49 -0.13 -0.55 8.47 8.34 2b34A1 GLN 153 HA 0.03 0.01 0.52 -0.75 4.36 4.18 2b34A1 GLN 153 HB2 0.09 0.09 0.18 -0.04 2.15 2.47 2b34A1 GLN 153 HB3 0.05 -0.05 0.01 -0.04 2.02 1.99 2b34A1 GLN 153 HG2 0.05 -0.05 0.05 -0.04 2.40 2.41 2b34A1 GLN 153 HG3 0.06 0.20 0.07 -0.04 2.39 2.68 2b34A1 GLN 153 HE21 0.06 -0.05 -0.02 -0.04 6.97 6.92 2b34A1 GLN 153 HE22 0.05 0.01 0.00 -0.04 7.69 7.71 2b34A1 ALA 154 H 0.11 0.36 -0.30 -0.55 8.40 8.02 2b34A1 ALA 154 HA 0.02 0.05 0.52 -0.75 4.34 4.18 2b34A1 ALA 154 HB3 0.16 -0.01 0.09 -0.04 1.41 1.62 2b34A1 GLY 155 H 0.03 0.19 -0.37 -0.55 8.43 7.73 2b34A1 GLY 155 HA2 -0.00 0.03 0.25 -0.51 4.01 3.78 2b34A1 GLY 155 HA3 0.00 0.14 0.79 -0.51 4.01 4.43 2b34A1 ALA 156 H 0.03 0.44 0.13 -0.55 8.40 8.46 2b34A1 ALA 156 HA -0.05 0.09 0.70 -0.75 4.34 4.33 2b34A1 ALA 156 HB3 0.01 -0.05 -0.09 -0.04 1.41 1.25 2b34A1 ILE 157 H -0.17 0.73 0.40 -0.55 8.25 8.65 2b34A1 ILE 157 HA -0.10 0.12 0.76 -0.75 4.18 4.21 2b34A1 ILE 157 HB -0.42 -0.05 0.18 -0.04 1.89 1.55 2b34A1 ILE 157 HG12 -0.13 0.02 -0.04 -0.04 1.49 1.30 2b34A1 ILE 157 HG13 -0.23 0.08 0.01 -0.04 1.21 1.03 2b34A1 ILE 157 HG23 -0.09 -0.02 -0.17 -0.04 0.93 0.61 2b34A1 ILE 157 HD13 -0.33 -0.00 -0.02 -0.04 0.88 0.49 2b34A1 LEU 158 H -0.08 0.22 0.14 -0.55 8.37 8.11 2b34A1 LEU 158 HA -0.13 0.15 0.87 -0.75 4.35 4.49 2b34A1 LEU 158 HB2 -0.13 -0.01 0.23 -0.04 1.64 1.69 2b34A1 LEU 158 HB3 -0.26 -0.04 0.08 -0.04 1.64 1.39 2b34A1 LEU 158 HG -0.06 0.10 -0.01 -0.04 1.64 1.63 2b34A1 LEU 158 HD13 -0.08 0.02 -0.02 -0.04 0.93 0.82 2b34A1 LEU 158 HD23 -0.06 0.01 -0.06 -0.04 0.89 0.75 2b34A1 THR 159 H -0.09 0.70 0.28 -0.55 8.28 8.62 2b34A1 THR 159 HA -0.06 0.19 0.85 -0.75 4.39 4.62 2b34A1 THR 159 HB 0.01 0.06 -0.20 -0.04 4.32 4.15 2b34A1 THR 159 HG23 0.03 0.01 -0.34 -0.04 1.22 0.88 2b34A1 THR 160 H -0.04 0.18 0.16 -0.55 8.28 8.04 2b34A1 THR 160 HA -0.07 0.10 0.98 -0.75 4.39 4.64 2b34A1 THR 160 HB -0.05 -0.07 0.14 -0.04 4.32 4.30 2b34A1 THR 160 HG23 -0.08 0.04 -0.10 -0.04 1.22 1.03 2b34A1 SER 161 H -0.04 0.16 0.12 -0.55 8.46 8.15 2b34A1 SER 161 HA -0.02 0.13 0.30 -0.75 4.49 4.14 2b34A1 SER 161 HB2 -0.03 0.13 0.00 -0.04 3.95 4.02 2b34A1 SER 161 HB3 -0.03 0.04 0.05 -0.04 3.93 3.95 2b34A1 GLU 162 H -0.03 0.06 -0.07 -0.55 8.60 8.02 2b34A1 GLU 162 HA -0.02 0.16 0.41 -0.75 4.29 4.08 2b34A1 GLU 162 HB2 -0.02 -0.00 0.10 -0.04 2.09 2.12 2b34A1 GLU 162 HB3 -0.02 -0.03 0.01 -0.04 1.99 1.92 2b34A1 GLU 162 HG2 -0.00 -0.02 -0.07 -0.04 2.34 2.20 2b34A1 GLU 162 HG3 -0.02 0.08 0.03 -0.04 2.34 2.39 2b34A1 ALA 163 H -0.02 -0.03 -0.25 -0.55 8.40 7.56 2b34A1 ALA 163 HA -0.01 0.10 0.43 -0.75 4.34 4.12 2b34A1 ALA 163 HB3 -0.02 0.00 0.08 -0.04 1.41 1.44 2b34A1 THR 164 H -0.02 0.44 -0.26 -0.55 8.28 7.90 2b34A1 THR 164 HA -0.02 0.08 0.35 -0.75 4.39 4.05 2b34A1 THR 164 HB -0.02 0.06 0.06 -0.04 4.32 4.38 2b34A1 THR 164 HG23 -0.04 0.00 -0.16 -0.04 1.22 0.98 2b34A1 ILE 165 H -0.02 0.54 -0.01 -0.55 8.25 8.21 2b34A1 ILE 165 HA -0.04 0.05 0.28 -0.75 4.18 3.72 2b34A1 ILE 165 HB -0.02 -0.00 0.08 -0.04 1.89 1.90 2b34A1 ILE 165 HG12 -0.03 0.45 0.07 -0.04 1.49 1.95 2b34A1 ILE 165 HG13 -0.03 -0.01 -0.11 -0.04 1.21 1.02 2b34A1 ILE 165 HG23 -0.04 0.01 -0.11 -0.04 0.93 0.75 2b34A1 ILE 165 HD13 -0.03 -0.04 -0.08 -0.04 0.88 0.69 2b34A1 LEU 166 H -0.01 0.47 -0.16 -0.55 8.37 8.13 2b34A1 LEU 166 HA 0.04 0.03 0.41 -0.75 4.35 4.08 2b34A1 LEU 166 HB2 0.02 0.14 0.05 -0.04 1.64 1.81 2b34A1 LEU 166 HB3 0.05 -0.04 -0.06 -0.04 1.64 1.55 2b34A1 LEU 166 HG 0.02 -0.01 -0.02 -0.04 1.64 1.59 2b34A1 LEU 166 HD13 0.05 -0.01 -0.07 -0.04 0.93 0.85 2b34A1 LEU 166 HD23 0.18 -0.01 -0.09 -0.04 0.89 0.94 2b34A1 GLY 167 H -0.01 0.36 -0.35 -0.55 8.43 7.89 2b34A1 GLY 167 HA2 -0.01 -0.01 0.51 -0.51 4.01 3.99 2b34A1 GLY 167 HA3 -0.02 0.08 0.30 -0.51 4.01 3.87 2b34A1 LEU 168 H -0.04 0.43 -0.28 -0.55 8.37 7.93 2b34A1 LEU 168 HA -0.06 0.13 0.33 -0.75 4.35 4.00 2b34A1 LEU 168 HB2 -0.07 0.16 0.09 -0.04 1.64 1.78 2b34A1 LEU 168 HB3 -0.08 -0.06 -0.08 -0.04 1.64 1.38 2b34A1 LEU 168 HG -0.07 0.07 -0.10 -0.04 1.64 1.50 2b34A1 LEU 168 HD13 -0.05 -0.03 -0.18 -0.04 0.93 0.63 2b34A1 LEU 168 HD23 -0.07 -0.02 -0.35 -0.04 0.89 0.41 2b34A1 VAL 169 H -0.08 0.19 -0.31 -0.55 8.24 7.50 2b34A1 VAL 169 HA -0.43 0.15 0.68 -0.75 4.13 3.78 2b34A1 VAL 169 HB -0.15 -0.09 0.09 -0.04 2.12 1.93 2b34A1 VAL 169 HG13 -0.39 0.01 -0.10 -0.04 0.97 0.45 2b34A1 VAL 169 HG23 0.10 0.01 0.03 -0.04 0.95 1.05 2b34A1 GLY 170 H -0.03 0.42 -0.12 -0.55 8.43 8.16 2b34A1 GLY 170 HA2 -0.01 0.06 0.34 -0.51 4.01 3.89 2b34A1 GLY 170 HA3 0.00 0.08 0.24 -0.51 4.01 3.82 2b34A1 GLY 171 H -0.01 0.31 -0.57 -0.55 8.43 7.62 2b34A1 GLY 171 HA2 -0.11 0.10 0.45 -0.51 4.01 3.94 2b34A1 GLY 171 HA3 -0.08 0.02 0.33 -0.51 4.01 3.77 2b34A1 SER 172 H -0.29 0.19 0.14 -0.55 8.46 7.95 2b34A1 SER 172 HA -1.88 0.14 0.55 -0.75 4.49 2.55 2b34A1 SER 172 HB2 -0.63 0.03 0.10 -0.04 3.95 3.41 2b34A1 SER 172 HB3 -0.70 0.02 0.07 -0.04 3.93 3.28 2b34A1 ASP 173 H -0.15 0.04 -0.26 -0.55 8.40 7.49 2b34A1 ASP 173 HA -0.04 0.21 0.75 -0.75 4.63 4.79 2b34A1 ASP 173 HB2 -0.05 -0.03 0.02 -0.04 2.71 2.62 2b34A1 ASP 173 HB3 -0.03 0.04 0.08 -0.04 2.70 2.75 2b34A1 HIS 174 H 0.07 0.18 -0.36 -0.55 8.41 7.75 2b34A1 HIS 174 HA 0.01 0.15 0.54 -0.75 4.63 4.58 2b34A1 HIS 174 HB2 0.03 0.22 0.17 -0.04 3.26 3.64 2b34A1 HIS 174 HB3 0.13 -0.12 0.09 -0.04 3.20 3.25 2b34A1 HIS 174 HD2 0.02 0.12 0.14 -0.04 6.97 7.21 2b34A1 HIS 174 HE1 0.02 0.07 -0.01 -0.04 7.75 7.79 2b34A1 PRO 175 HA -0.01 0.09 0.36 -0.51 4.44 4.37 2b34A1 PRO 175 HB2 -0.07 0.05 0.01 -0.04 2.28 2.23 2b34A1 PRO 175 HB3 -0.08 0.03 0.15 -0.04 2.02 2.07 2b34A1 PRO 175 HG2 -0.43 0.05 0.09 -0.04 2.03 1.69 2b34A1 PRO 175 HG3 -0.23 0.06 0.11 -0.04 2.03 1.93 2b34A1 PRO 175 HD2 -1.07 0.10 0.27 -0.04 3.68 2.94 2b34A1 PRO 175 HD3 -0.25 0.19 0.26 -0.04 3.65 3.81 2b34A1 LYS 176 H 0.43 0.10 -0.47 -0.55 8.42 7.93 2b34A1 LYS 176 HA 0.10 0.18 0.82 -0.75 4.32 4.67 2b34A1 LYS 176 HB2 0.37 0.03 -0.00 -0.04 1.87 2.23 2b34A1 LYS 176 HB3 0.13 -0.03 0.07 -0.04 1.79 1.91 2b34A1 LYS 176 HG2 0.08 0.22 -0.05 -0.04 1.46 1.67 2b34A1 LYS 176 HG3 0.06 -0.05 0.03 -0.04 1.46 1.46 2b34A1 LYS 176 HD2 0.04 -0.03 -0.37 -0.04 1.69 1.29 2b34A1 LYS 176 HD3 0.07 0.00 -0.09 -0.04 1.68 1.63 2b34A1 LYS 176 HE2 0.02 -0.04 -0.02 -0.04 2.99 2.90 2b34A1 LYS 176 HE3 0.04 0.18 0.03 -0.04 2.99 3.19 2b34A1 PHE 177 H 0.33 0.65 -0.23 -0.55 8.34 8.54 2b34A1 PHE 177 HA 0.02 0.06 0.34 -0.75 4.62 4.29 2b34A1 PHE 177 HB2 0.08 0.03 0.11 -0.04 3.15 3.33 2b34A1 PHE 177 HB3 0.06 0.19 0.08 -0.04 3.06 3.35 2b34A1 PHE 177 HD2 0.01 0.04 -0.04 -0.04 7.28 7.24 2b34A1 PHE 177 HE2 -0.00 -0.00 -0.08 -0.04 7.38 7.26 2b34A1 PHE 177 HZ -0.00 0.00 -0.06 -0.04 7.32 7.22 2b34A1 LYS 178 H 0.12 0.22 -0.09 -0.55 8.42 8.12 2b34A1 LYS 178 HA -0.30 0.07 0.40 -0.75 4.32 3.73 2b34A1 LYS 178 HB2 0.04 0.04 0.06 -0.04 1.87 1.96 2b34A1 LYS 178 HB3 -0.02 0.02 -0.03 -0.04 1.79 1.72 2b34A1 LYS 178 HG2 0.20 0.02 0.02 -0.04 1.46 1.66 2b34A1 LYS 178 HG3 0.08 0.03 0.02 -0.04 1.46 1.54 2b34A1 LYS 178 HD2 0.01 0.00 0.01 -0.04 1.69 1.67 2b34A1 LYS 178 HD3 -0.06 -0.02 0.04 -0.04 1.68 1.60 2b34A1 LYS 178 HE2 0.24 0.02 -0.01 -0.04 2.99 3.19 2b34A1 LYS 178 HE3 0.09 0.00 -0.00 -0.04 2.99 3.04 2b34A1 GLU 179 H -0.03 0.12 -0.42 -0.55 8.60 7.73 2b34A1 GLU 179 HA -0.05 0.07 0.52 -0.75 4.29 4.08 2b34A1 GLU 179 HB2 0.00 0.11 0.11 -0.04 2.09 2.27 2b34A1 GLU 179 HB3 -0.02 0.03 -0.02 -0.04 1.99 1.94 2b34A1 GLU 179 HG2 -0.01 -0.01 0.02 -0.04 2.34 2.30 2b34A1 GLU 179 HG3 -0.00 -0.06 0.00 -0.04 2.34 2.24 2b34A1 VAL 180 H -0.08 0.51 -0.03 -0.55 8.24 8.09 2b34A1 VAL 180 HA -0.07 0.06 0.47 -0.75 4.13 3.83 2b34A1 VAL 180 HB -0.07 -0.07 0.03 -0.04 2.12 1.97 2b34A1 VAL 180 HG13 -0.04 0.04 0.02 -0.04 0.97 0.95 2b34A1 VAL 180 HG23 -0.09 0.03 -0.03 -0.04 0.95 0.82 2b34A1 GLN 181 H -0.33 0.46 -0.35 -0.55 8.47 7.71 2b34A1 GLN 181 HA -0.25 0.00 0.32 -0.75 4.36 3.67 2b34A1 GLN 181 HB2 -0.98 0.19 0.05 -0.04 2.15 1.37 2b34A1 GLN 181 HB3 -0.34 0.08 0.01 -0.04 2.02 1.73 2b34A1 GLN 181 HG2 -0.17 -0.02 -0.09 -0.04 2.40 2.08 2b34A1 GLN 181 HG3 -0.31 -0.03 -0.03 -0.04 2.39 1.98 2b34A1 GLN 181 HE21 0.17 -0.02 -0.04 -0.04 6.97 7.04 2b34A1 GLN 181 HE22 0.10 -0.00 -0.05 -0.04 7.69 7.70 2b34A1 LYS 182 H -0.13 0.39 -0.33 -0.55 8.42 7.79 2b34A1 LYS 182 HA -0.07 0.00 0.44 -0.75 4.32 3.94 2b34A1 LYS 182 HB2 -0.06 0.17 0.09 -0.04 1.87 2.03 2b34A1 LYS 182 HB3 -0.04 -0.07 0.03 -0.04 1.79 1.67 2b34A1 LYS 182 HG2 -0.08 0.29 0.18 -0.04 1.46 1.81 2b34A1 LYS 182 HG3 -0.04 -0.04 0.08 -0.04 1.46 1.41 2b34A1 LYS 182 HD2 -0.03 -0.04 0.03 -0.04 1.69 1.60 2b34A1 LYS 182 HD3 -0.05 -0.04 0.02 -0.04 1.68 1.57 2b34A1 LYS 182 HE2 -0.05 0.08 -0.00 -0.04 2.99 2.98 2b34A1 LYS 182 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2b34A1 LEU 183 H -0.07 0.32 -0.36 -0.55 8.37 7.71 2b34A1 LEU 183 HA -0.04 0.03 0.40 -0.75 4.35 3.98 2b34A1 LEU 183 HB2 -0.05 0.10 0.03 -0.04 1.64 1.68 2b34A1 LEU 183 HB3 -0.04 -0.08 0.12 -0.04 1.64 1.61 2b34A1 LEU 183 HG -0.05 0.09 0.10 -0.04 1.64 1.73 2b34A1 LEU 183 HD13 -0.04 0.03 -0.02 -0.04 0.93 0.87 2b34A1 LEU 183 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.77 2b34A1 ILE 184 H -0.07 0.34 -0.49 -0.55 8.25 7.48 2b34A1 ILE 184 HA -0.03 0.21 0.85 -0.75 4.18 4.45 2b34A1 ILE 184 HB -0.03 -0.10 0.10 -0.04 1.89 1.83 2b34A1 ILE 184 HG12 -0.08 0.08 -0.05 -0.04 1.49 1.41 2b34A1 ILE 184 HG13 -0.07 0.28 -0.08 -0.04 1.21 1.29 2b34A1 ILE 184 HG23 -0.04 -0.02 -0.15 -0.04 0.93 0.68 2b34A1 ILE 184 HD13 -0.02 -0.04 -0.06 -0.04 0.88 0.72 2b34A1 LEU 185 H -0.04 0.29 -0.25 -0.55 8.37 7.82 2b34A1 LEU 185 HA -0.03 0.02 0.37 -0.75 4.35 3.96 2b34A1 LEU 185 HB2 -0.04 0.08 0.15 -0.04 1.64 1.79 2b34A1 LEU 185 HB3 -0.03 -0.03 0.08 -0.04 1.64 1.63 2b34A1 LEU 185 HG -0.02 -0.04 -0.12 -0.04 1.64 1.43 2b34A1 LEU 185 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.87 2b34A1 LEU 185 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.80 2b34A1 THR 186 H -0.02 0.13 -0.15 -0.55 8.28 7.69 2b34A1 THR 186 HA -0.01 0.13 0.84 -0.75 4.39 4.60 2b34A1 THR 186 HB -0.01 -0.01 0.04 -0.04 4.32 4.30 2b34A1 THR 186 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.09 2b34A1 SER 187 H -0.01 0.07 0.07 -0.55 8.46 8.04 2b34A1 SER 187 HA -0.02 0.03 0.46 -0.75 4.49 4.21 2b34A1 SER 187 HB2 -0.01 -0.03 0.06 -0.04 3.95 3.92 2b34A1 SER 187 HB3 -0.02 0.01 0.03 -0.04 3.93 3.91 2b34A1 ALA 188 H -0.02 -0.01 0.15 -0.55 8.40 7.96 2b34A1 ALA 188 HA -0.02 0.14 0.42 -0.75 4.34 4.13 2b34A1 ALA 188 HB3 -0.03 -0.02 0.11 -0.04 1.41 1.43 2b34A1 PRO 189 HA -0.01 0.02 0.47 -0.51 4.44 4.41 2b34A1 PRO 189 HB2 0.01 -0.03 0.05 -0.04 2.28 2.27 2b34A1 PRO 189 HB3 0.02 0.01 0.11 -0.04 2.02 2.11 2b34A1 PRO 189 HG2 -0.00 0.02 0.14 -0.04 2.03 2.15 2b34A1 PRO 189 HG3 0.00 0.07 0.10 -0.04 2.03 2.16 2b34A1 PRO 189 HD2 -0.02 0.09 0.20 -0.04 3.68 3.91 2b34A1 PRO 189 HD3 -0.01 0.18 0.19 -0.04 3.65 3.97 2b34A1 ASP 190 H -0.01 0.10 0.19 -0.55 8.40 8.13 2b34A1 ASP 190 HA -0.07 0.04 0.49 -0.75 4.63 4.32 2b34A1 ASP 190 HB2 -0.03 0.09 0.15 -0.04 2.71 2.88 2b34A1 ASP 190 HB3 -0.01 0.02 0.16 -0.04 2.70 2.83 2b34A1 THR 191 H -0.19 0.08 0.16 -0.55 8.28 7.78 2b34A1 THR 191 HA -1.12 0.21 0.82 -0.75 4.39 3.54 2b34A1 THR 191 HB -0.67 0.00 0.16 -0.04 4.32 3.77 2b34A1 THR 191 HG23 -0.14 0.06 -0.17 -0.04 1.22 0.93 2b34A1 GLY 192 H -0.18 0.08 -0.05 -0.55 8.43 7.73 2b34A1 GLY 192 HA2 -0.04 0.05 0.28 -0.51 4.01 3.79 2b34A1 GLY 192 HA3 -0.02 0.08 0.26 -0.51 4.01 3.83 2b34A1 LEU 193 H -0.09 -0.06 -0.21 -0.55 8.37 7.46 2b34A1 LEU 193 HA 0.03 0.16 0.38 -0.75 4.35 4.16 2b34A1 LEU 193 HB2 -0.06 -0.09 -0.01 -0.04 1.64 1.44 2b34A1 LEU 193 HB3 -0.04 0.04 0.01 -0.04 1.64 1.61 2b34A1 LEU 193 HG -0.05 0.05 -0.16 -0.04 1.64 1.44 2b34A1 LEU 193 HD13 -0.09 0.03 -0.14 -0.04 0.93 0.70 2b34A1 LEU 193 HD23 0.20 0.02 -0.02 -0.04 0.89 1.05 2b34A1 VAL 194 H -0.03 -0.04 -0.22 -0.55 8.24 7.39 2b34A1 VAL 194 HA -0.01 0.24 0.73 -0.75 4.13 4.33 2b34A1 VAL 194 HB -0.02 -0.06 0.02 -0.04 2.12 2.01 2b34A1 VAL 194 HG13 -0.02 0.06 -0.08 -0.04 0.97 0.88 2b34A1 VAL 194 HG23 -0.04 -0.03 -0.07 -0.04 0.95 0.78 2b34A1 PRO 195 HA -0.01 -0.01 0.45 -0.51 4.44 4.36 2b34A1 PRO 195 HB2 -0.00 0.03 0.01 -0.04 2.28 2.27 2b34A1 PRO 195 HB3 -0.00 0.03 0.07 -0.04 2.02 2.07 2b34A1 PRO 195 HG2 0.01 0.03 0.08 -0.04 2.03 2.10 2b34A1 PRO 195 HG3 0.02 0.05 0.06 -0.04 2.03 2.12 2b34A1 PRO 195 HD2 -0.01 0.06 0.19 -0.04 3.68 3.88 2b34A1 PRO 195 HD3 0.00 0.30 0.31 -0.04 3.65 4.22 2b34A1 LEU 196 H -0.01 0.08 0.17 -0.55 8.37 8.06 2b34A1 LEU 196 HA -0.00 0.03 0.52 -0.75 4.35 4.14 2b34A1 LEU 196 HB2 -0.00 0.03 0.12 -0.04 1.64 1.74 2b34A1 LEU 196 HB3 -0.01 -0.01 0.07 -0.04 1.64 1.65 2b34A1 LEU 196 HG -0.00 -0.16 -0.25 -0.04 1.64 1.19 2b34A1 LEU 196 HD13 -0.00 0.04 -0.01 -0.04 0.93 0.92 2b34A1 LEU 196 HD23 -0.00 -0.01 -0.20 -0.04 0.89 0.64 2b34A1 SER 197 H -0.00 0.05 0.20 -0.55 8.46 8.16 2b34A1 SER 197 HA -0.00 0.23 0.89 -0.75 4.49 4.85 2b34A1 SER 197 HB2 -0.00 -0.01 0.07 -0.04 3.95 3.96 2b34A1 SER 197 HB3 -0.00 0.09 -0.03 -0.04 3.93 3.95 2b34A1 LYS 198 H -0.00 0.09 0.11 -0.55 8.42 8.06 2b34A1 LYS 198 HA -0.00 0.12 0.69 -0.75 4.32 4.38 2b34A1 LYS 198 HB2 -0.00 -0.01 -0.06 -0.04 1.87 1.76 2b34A1 LYS 198 HB3 -0.00 0.11 0.01 -0.04 1.79 1.86 2b34A1 LYS 198 HG2 -0.00 0.06 -0.07 -0.04 1.46 1.41 2b34A1 LYS 198 HG3 -0.00 -0.13 -0.21 -0.04 1.46 1.08 2b34A1 LYS 198 HD2 -0.00 0.02 0.11 -0.04 1.69 1.77 2b34A1 LYS 198 HD3 -0.00 0.05 0.00 -0.04 1.68 1.69 2b34A1 LYS 198 HE2 -0.00 0.05 0.05 -0.04 2.99 3.05 2b34A1 LYS 198 HE3 -0.00 0.05 0.03 -0.04 2.99 3.03 2b34A1 LEU 199 H -0.00 0.19 0.01 -0.55 8.37 8.02 2b34A1 LEU 199 HA 0.00 0.17 0.50 -0.75 4.35 4.27 2b34A1 LEU 199 HB2 0.00 0.02 0.09 -0.04 1.64 1.70 2b34A1 LEU 199 HB3 0.00 0.04 0.07 -0.04 1.64 1.70 2b34A1 LEU 199 HG -0.00 -0.03 -0.10 -0.04 1.64 1.47 2b34A1 LEU 199 HD13 0.00 0.01 -0.01 -0.04 0.93 0.89 2b34A1 LEU 199 HD23 0.00 0.01 -0.00 -0.04 0.89 0.86