============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.829 4.183 0.757 -99.200 -91.000 PHE 14 1.000 -7.904 0.440 5.684 -99.200 -91.000 TRP 25 1.040 9.555 6.784 2.031 -99.200 -91.000 TRP6 25 1.020 11.250 7.312 0.455 -99.200 -91.000 HIS 41 0.900 8.657 -0.086 -2.378 -99.200 -91.000 TYR 46 0.840 14.980 3.610 2.516 -99.200 -91.000 PHE 51 1.000 10.858 5.488 7.138 -99.200 -91.000 HIS 75 0.900 7.313 -12.647 3.775 -99.200 -91.000 TYR 78 0.840 11.937 -6.408 0.482 -99.200 -91.000 TYR 102 0.840 -7.404 -0.264 15.500 -99.200 -91.000 TRP 123 1.040 -2.097 11.722 1.414 -99.200 -91.000 TRP6 123 1.020 -2.508 9.826 2.817 -99.200 -91.000 TYR 154 0.840 4.875 -5.300 -15.057 -99.200 -91.000 PHE 164 1.000 -3.689 -7.562 -5.589 -99.200 -91.000 TRP 197 1.040 6.611 -4.839 -8.485 -99.200 -91.000 TRP6 197 1.020 7.127 -5.396 -10.740 -99.200 -91.000 TYR 206 0.840 4.841 -2.371 -19.891 -99.200 -91.000 TYR 210 0.840 -1.767 -2.543 -6.706 -99.200 -91.000 PHE 219 1.000 5.882 -10.171 7.730 -99.200 -91.000 TYR 223 0.840 6.918 -11.710 12.812 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g51A1 ILE 16 HA -0.01 -0.06 0.16 -0.75 4.18 3.52 2g51A1 ILE 16 HB -0.05 0.01 -0.12 -0.04 1.89 1.69 2g51A1 ILE 16 HG12 -0.08 -0.06 -0.16 -0.04 1.49 1.15 2g51A1 ILE 16 HG13 -0.12 0.06 -0.21 -0.04 1.21 0.90 2g51A1 ILE 16 HG23 -0.02 -0.04 -0.42 -0.04 0.93 0.40 2g51A1 ILE 16 HD13 -0.04 -0.03 -0.29 -0.04 0.88 0.48 2g51A1 VAL 17 H 0.00 0.46 0.02 -0.55 8.24 8.17 2g51A1 VAL 17 HA 0.00 0.21 0.75 -0.75 4.13 4.34 2g51A1 VAL 17 HB 0.01 -0.14 -0.19 -0.04 2.12 1.76 2g51A1 VAL 17 HG13 0.01 0.09 -0.20 -0.04 0.97 0.82 2g51A1 VAL 17 HG23 0.00 0.01 -0.54 -0.04 0.95 0.38 2g51A1 GLY 18 H 0.00 0.18 0.18 -0.55 8.43 8.25 2g51A1 GLY 18 HA2 0.00 -0.01 0.38 -0.51 4.01 3.88 2g51A1 GLY 18 HA3 0.00 0.21 0.58 -0.51 4.01 4.30 2g51A1 GLY 19 H -0.01 0.08 -0.35 -0.55 8.43 7.61 2g51A1 GLY 19 HA2 -0.01 0.13 0.40 -0.51 4.01 4.02 2g51A1 GLY 19 HA3 -0.02 0.01 0.09 -0.51 4.01 3.58 2g51A1 THR 20 H -0.01 0.78 0.39 -0.55 8.28 8.90 2g51A1 THR 20 HA -0.01 0.11 0.65 -0.75 4.39 4.39 2g51A1 THR 20 HB -0.00 0.02 -0.02 -0.04 4.32 4.28 2g51A1 THR 20 HG23 -0.00 0.06 -0.14 -0.04 1.22 1.09 2g51A1 SER 21 H -0.01 0.08 0.11 -0.55 8.46 8.09 2g51A1 SER 21 HA -0.03 0.20 0.52 -0.75 4.49 4.43 2g51A1 SER 21 HB2 -0.01 -0.08 0.10 -0.04 3.95 3.93 2g51A1 SER 21 HB3 -0.01 0.11 -0.00 -0.04 3.93 3.99 2g51A1 ALA 22 H -0.04 0.55 0.26 -0.55 8.40 8.62 2g51A1 ALA 22 HA 0.01 -0.00 0.58 -0.75 4.34 4.18 2g51A1 ALA 22 HB3 0.03 0.00 -0.06 -0.04 1.41 1.34 2g51A1 SER 23 H -0.06 0.11 0.07 -0.55 8.46 8.03 2g51A1 SER 23 HA -0.02 0.13 0.70 -0.75 4.49 4.54 2g51A1 SER 23 HB2 -0.08 -0.01 0.01 -0.04 3.95 3.83 2g51A1 SER 23 HB3 -0.05 0.06 0.04 -0.04 3.93 3.94 2g51A1 ALA 24 H -0.02 0.12 0.09 -0.55 8.40 8.05 2g51A1 ALA 24 HA -0.00 0.03 0.42 -0.75 4.34 4.04 2g51A1 ALA 24 HB3 -0.01 0.01 0.06 -0.04 1.41 1.44 2g51A1 GLY 25 H -0.02 0.15 0.09 -0.55 8.43 8.11 2g51A1 GLY 25 HA2 -0.05 0.07 0.24 -0.51 4.01 3.76 2g51A1 GLY 25 HA3 -0.05 0.11 0.46 -0.51 4.01 4.02 2g51A1 ASP 26 H -0.14 0.43 -0.40 -0.55 8.40 7.74 2g51A1 ASP 26 HA -0.35 0.07 0.37 -0.75 4.63 3.98 2g51A1 ASP 26 HB2 -0.28 0.10 0.05 -0.04 2.71 2.54 2g51A1 ASP 26 HB3 -1.21 -0.00 -0.13 -0.04 2.70 1.32 2g51A1 PHE 27 H -0.15 0.10 -0.36 -0.55 8.34 7.37 2g51A1 PHE 27 HA -0.34 0.20 0.65 -0.75 4.62 4.38 2g51A1 PHE 27 HB2 -0.35 0.00 0.18 -0.04 3.15 2.93 2g51A1 PHE 27 HB3 -0.86 -0.02 0.10 -0.04 3.06 2.24 2g51A1 PHE 27 HD2 -0.10 0.00 -0.06 -0.04 7.28 7.08 2g51A1 PHE 27 HE2 -0.06 -0.02 -0.14 -0.04 7.38 7.13 2g51A1 PHE 27 HZ -0.05 -0.03 -0.20 -0.04 7.32 7.00 2g51A1 PRO 28 HA -0.03 0.24 0.41 -0.51 4.44 4.55 2g51A1 PRO 28 HB2 0.08 -0.06 -0.18 -0.04 2.28 2.08 2g51A1 PRO 28 HB3 -0.00 0.05 -0.27 -0.04 2.02 1.76 2g51A1 PRO 28 HG2 0.05 0.03 -0.05 -0.04 2.03 2.01 2g51A1 PRO 28 HG3 -0.03 0.11 -0.04 -0.04 2.03 2.04 2g51A1 PRO 28 HD2 0.12 0.07 0.02 -0.04 3.68 3.85 2g51A1 PRO 28 HD3 -0.09 0.32 -0.38 -0.04 3.65 3.46 2g51A1 PHE 29 H -0.41 0.01 -0.49 -0.55 8.34 6.89 2g51A1 PHE 29 HA 0.11 0.34 0.90 -0.75 4.62 5.21 2g51A1 PHE 29 HB2 0.13 -0.02 0.23 -0.04 3.15 3.45 2g51A1 PHE 29 HB3 0.11 -0.01 -0.37 -0.04 3.06 2.76 2g51A1 PHE 29 HD2 0.10 -0.03 -0.22 -0.04 7.28 7.10 2g51A1 PHE 29 HE2 0.11 0.07 0.02 -0.04 7.38 7.53 2g51A1 PHE 29 HZ 0.20 0.00 -0.04 -0.04 7.32 7.44 2g51A1 ILE 30 H -0.34 0.36 -0.13 -0.55 8.25 7.59 2g51A1 ILE 30 HA 0.12 0.19 0.86 -0.75 4.18 4.59 2g51A1 ILE 30 HB -0.28 -0.11 0.17 -0.04 1.89 1.63 2g51A1 ILE 30 HG12 0.30 0.09 0.00 -0.04 1.49 1.84 2g51A1 ILE 30 HG13 0.04 0.09 0.28 -0.04 1.21 1.57 2g51A1 ILE 30 HG23 0.06 0.07 0.04 -0.04 0.93 1.06 2g51A1 ILE 30 HD13 -0.40 -0.02 -0.02 -0.04 0.88 0.40 2g51A1 VAL 31 H 0.21 0.56 0.32 -0.55 8.24 8.77 2g51A1 VAL 31 HA 0.14 0.36 1.02 -0.75 4.13 4.90 2g51A1 VAL 31 HB 0.06 0.05 -0.11 -0.04 2.12 2.09 2g51A1 VAL 31 HG13 0.12 0.00 -0.28 -0.04 0.97 0.78 2g51A1 VAL 31 HG23 0.11 -0.05 -0.36 -0.04 0.95 0.60 2g51A1 SER 32 H -0.17 0.53 0.31 -0.55 8.46 8.59 2g51A1 SER 32 HA -0.20 0.11 0.92 -0.75 4.49 4.57 2g51A1 SER 32 HB2 -0.89 0.01 0.12 -0.04 3.95 3.14 2g51A1 SER 32 HB3 -2.44 -0.01 0.07 -0.04 3.93 1.51 2g51A1 ILE 33 H 0.04 0.78 0.26 -0.55 8.25 8.79 2g51A1 ILE 33 HA 0.06 0.29 0.92 -0.75 4.18 4.70 2g51A1 ILE 33 HB 0.20 -0.09 -0.08 -0.04 1.89 1.88 2g51A1 ILE 33 HG12 0.06 0.02 -0.31 -0.04 1.49 1.22 2g51A1 ILE 33 HG13 0.09 -0.06 -0.61 -0.04 1.21 0.58 2g51A1 ILE 33 HG23 0.24 -0.00 -0.25 -0.04 0.93 0.88 2g51A1 ILE 33 HD13 0.03 -0.00 -0.26 -0.04 0.88 0.60 2g51A1 SER 34 H 0.05 0.74 0.23 -0.55 8.46 8.93 2g51A1 SER 34 HA 0.08 0.15 0.53 -0.75 4.49 4.49 2g51A1 SER 34 HB2 -0.03 0.06 -0.19 -0.04 3.95 3.75 2g51A1 SER 34 HB3 -0.05 0.00 -0.03 -0.04 3.93 3.80 2g51A1 ARG 35 H 0.00 0.69 0.15 -0.55 8.46 8.75 2g51A1 ARG 35 HA -0.42 0.34 0.68 -0.75 4.34 4.19 2g51A1 ARG 35 HB2 -0.74 0.05 -0.19 -0.04 1.90 0.97 2g51A1 ARG 35 HB3 -0.72 0.04 -0.01 -0.04 1.80 1.06 2g51A1 ARG 35 HG2 -0.87 -0.03 -0.24 -0.04 1.67 0.48 2g51A1 ARG 35 HG3 -1.49 -0.03 -0.12 -0.04 1.67 -0.01 2g51A1 ARG 35 HD2 -1.85 0.09 -0.07 -0.04 3.22 1.35 2g51A1 ARG 35 HD3 -2.57 0.00 -0.07 -0.04 3.22 0.54 2g51A1 ASN 36 H -0.35 0.60 0.25 -0.55 8.53 8.48 2g51A1 ASN 36 HA -0.19 0.02 0.35 -0.75 4.76 4.19 2g51A1 ASN 36 HB2 -0.23 0.18 0.09 -0.04 2.88 2.89 2g51A1 ASN 36 HB3 -0.16 -0.03 0.24 -0.04 2.79 2.81 2g51A1 ASN 36 HD21 -0.37 -0.04 -0.03 -0.04 7.03 6.56 2g51A1 ASN 36 HD22 -0.36 0.06 -0.09 -0.04 7.74 7.31 2g51A1 GLY 37 H -0.12 0.11 -0.47 -0.55 8.43 7.40 2g51A1 GLY 37 HA2 -0.06 0.00 0.18 -0.51 4.01 3.62 2g51A1 GLY 37 HA3 -0.06 0.06 0.22 -0.51 4.01 3.72 2g51A1 GLY 38 H -0.06 0.45 -0.48 -0.55 8.43 7.79 2g51A1 GLY 38 HA2 -0.00 0.13 0.76 -0.51 4.01 4.39 2g51A1 GLY 38 HA3 0.01 0.06 0.25 -0.51 4.01 3.82 2g51A1 PRO 39 HA 0.07 0.05 0.42 -0.51 4.44 4.47 2g51A1 PRO 39 HB2 0.10 0.04 -0.04 -0.04 2.28 2.34 2g51A1 PRO 39 HB3 0.06 0.06 0.07 -0.04 2.02 2.17 2g51A1 PRO 39 HG2 0.08 0.03 0.05 -0.04 2.03 2.15 2g51A1 PRO 39 HG3 0.06 0.04 0.05 -0.04 2.03 2.14 2g51A1 PRO 39 HD2 0.06 0.08 0.20 -0.04 3.68 3.97 2g51A1 PRO 39 HD3 0.03 0.11 0.19 -0.04 3.65 3.94 2g51A1 TRP 40 H 0.20 0.15 0.24 -0.55 7.97 8.01 2g51A1 TRP 40 HA 0.04 0.06 0.75 -0.75 4.62 4.71 2g51A1 TRP 40 HB2 0.00 0.01 -0.23 -0.04 3.23 2.97 2g51A1 TRP 40 HB3 0.08 0.26 0.06 -0.04 3.23 3.59 2g51A1 TRP 40 HD1 0.26 -0.01 -0.17 -0.04 7.22 7.26 2g51A1 TRP 40 HE1 0.29 0.48 0.13 -0.04 10.20 11.06 2g51A1 TRP 40 HE3 -0.02 0.19 0.12 -0.04 7.59 7.83 2g51A1 TRP 40 HZ2 0.05 0.05 -0.03 -0.04 7.44 7.46 2g51A1 TRP 40 HZ3 -0.04 -0.03 0.01 -0.04 7.13 7.02 2g51A1 TRP 40 HH2 -0.05 -0.05 -0.02 -0.04 7.19 7.03 2g51A1 CYS 41 H 0.25 0.67 0.42 -0.55 8.50 9.30 2g51A1 CYS 41 HA -0.04 0.11 0.77 -0.75 4.58 4.67 2g51A1 CYS 41 HB2 0.23 -0.03 -0.03 -0.04 2.97 3.10 2g51A1 CYS 41 HB3 0.03 0.16 0.19 -0.04 2.97 3.31 2g51A1 GLY 42 H 0.07 0.67 0.28 -0.55 8.43 8.91 2g51A1 GLY 42 HA2 0.22 0.16 0.99 -0.51 4.01 4.87 2g51A1 GLY 42 HA3 0.22 -0.02 0.48 -0.51 4.01 4.19 2g51A1 GLY 43 H 0.19 0.47 0.40 -0.55 8.43 8.95 2g51A1 GLY 43 HA2 0.10 0.36 0.74 -0.51 4.01 4.70 2g51A1 GLY 43 HA3 0.10 -0.03 0.19 -0.51 4.01 3.76 2g51A1 SER 44 H 0.12 0.59 0.40 -0.55 8.46 9.02 2g51A1 SER 44 HA 0.37 0.26 1.00 -0.75 4.49 5.36 2g51A1 SER 44 HB2 0.11 -0.04 0.14 -0.04 3.95 4.12 2g51A1 SER 44 HB3 0.14 -0.02 -0.00 -0.04 3.93 4.01 2g51A1 LEU 45 H 0.34 0.87 0.36 -0.55 8.37 9.40 2g51A1 LEU 45 HA 0.13 0.14 0.75 -0.75 4.35 4.62 2g51A1 LEU 45 HB2 0.21 0.04 0.10 -0.04 1.64 1.94 2g51A1 LEU 45 HB3 0.33 0.02 0.34 -0.04 1.64 2.29 2g51A1 LEU 45 HG 0.35 -0.06 -0.13 -0.04 1.64 1.76 2g51A1 LEU 45 HD13 0.12 0.03 -0.07 -0.04 0.93 0.97 2g51A1 LEU 45 HD23 0.27 0.02 -0.12 -0.04 0.89 1.02 2g51A1 LEU 46 H 0.03 0.73 0.49 -0.55 8.37 9.07 2g51A1 LEU 46 HA 0.01 0.02 0.66 -0.75 4.35 4.29 2g51A1 LEU 46 HB2 -0.05 0.04 0.01 -0.04 1.64 1.60 2g51A1 LEU 46 HB3 -0.06 -0.03 -0.03 -0.04 1.64 1.49 2g51A1 LEU 46 HG 0.00 0.05 -0.05 -0.04 1.64 1.61 2g51A1 LEU 46 HD13 -0.03 -0.01 -0.10 -0.04 0.93 0.74 2g51A1 LEU 46 HD23 -0.02 -0.02 -0.11 -0.04 0.89 0.70 2g51A1 ASN 47 H -0.16 0.48 0.27 -0.55 8.53 8.57 2g51A1 ASN 47 HA -1.50 0.10 0.41 -0.75 4.76 3.01 2g51A1 ASN 47 HB2 -0.37 -0.10 0.18 -0.04 2.88 2.55 2g51A1 ASN 47 HB3 -0.28 0.20 0.04 -0.04 2.79 2.70 2g51A1 ASN 47 HD21 -0.09 0.37 -0.09 -0.04 7.03 7.18 2g51A1 ASN 47 HD22 -0.12 0.00 -0.17 -0.04 7.74 7.41 2g51A1 ALA 48 H -0.45 0.14 0.14 -0.55 8.40 7.68 2g51A1 ALA 48 HA 0.09 0.35 0.28 -0.75 4.34 4.32 2g51A1 ALA 48 HB3 0.05 -0.03 0.02 -0.04 1.41 1.41 2g51A1 ASN 49 H -0.10 0.06 -0.29 -0.55 8.53 7.66 2g51A1 ASN 49 HA 0.00 0.27 0.95 -0.75 4.76 5.23 2g51A1 ASN 49 HB2 -0.01 0.10 0.14 -0.04 2.88 3.07 2g51A1 ASN 49 HB3 -0.01 -0.05 -0.12 -0.04 2.79 2.56 2g51A1 ASN 49 HD21 -0.02 0.04 -0.02 -0.04 7.03 6.99 2g51A1 ASN 49 HD22 -0.01 0.03 0.01 -0.04 7.74 7.74 2g51A1 THR 50 H -0.05 0.45 -0.05 -0.55 8.28 8.08 2g51A1 THR 50 HA -0.02 0.46 1.32 -0.75 4.39 5.40 2g51A1 THR 50 HB -0.06 -0.18 0.01 -0.04 4.32 4.05 2g51A1 THR 50 HG23 -0.04 0.00 -0.14 -0.04 1.22 1.00 2g51A1 VAL 51 H -0.00 0.76 0.40 -0.55 8.24 8.85 2g51A1 VAL 51 HA 0.05 0.28 1.07 -0.75 4.13 4.78 2g51A1 VAL 51 HB 0.02 -0.02 -0.01 -0.04 2.12 2.07 2g51A1 VAL 51 HG13 0.05 -0.03 -0.29 -0.04 0.97 0.66 2g51A1 VAL 51 HG23 0.06 -0.00 -0.29 -0.04 0.95 0.68 2g51A1 LEU 52 H 0.06 0.85 0.46 -0.55 8.37 9.19 2g51A1 LEU 52 HA 0.04 0.24 1.08 -0.75 4.35 4.95 2g51A1 LEU 52 HB2 0.03 -0.04 0.07 -0.04 1.64 1.66 2g51A1 LEU 52 HB3 0.05 -0.03 0.19 -0.04 1.64 1.82 2g51A1 LEU 52 HG 0.07 0.09 -0.15 -0.04 1.64 1.61 2g51A1 LEU 52 HD13 0.11 0.03 -0.01 -0.04 0.93 1.02 2g51A1 LEU 52 HD23 0.06 -0.03 -0.11 -0.04 0.89 0.77 2g51A1 THR 53 H 0.03 0.59 0.37 -0.55 8.28 8.72 2g51A1 THR 53 HA 0.03 0.34 0.84 -0.75 4.39 4.85 2g51A1 THR 53 HB 0.01 -0.01 -0.21 -0.04 4.32 4.07 2g51A1 THR 53 HG23 -0.06 0.03 -0.23 -0.04 1.22 0.92 2g51A1 ALA 54 H -0.08 0.18 0.24 -0.55 8.40 8.19 2g51A1 ALA 54 HA -0.05 0.37 1.00 -0.75 4.34 4.90 2g51A1 ALA 54 HB3 -0.19 0.01 0.20 -0.04 1.41 1.39 2g51A1 ALA 55 H -0.19 0.17 -0.60 -0.55 8.40 7.23 2g51A1 ALA 55 HA -0.25 0.07 0.23 -0.75 4.34 3.64 2g51A1 ALA 55 HB3 -1.02 0.07 0.03 -0.04 1.41 0.46 2g51A1 HIS 56 H -0.06 0.09 -0.27 -0.55 8.41 7.63 2g51A1 HIS 56 HA 0.10 0.10 0.28 -0.75 4.63 4.36 2g51A1 HIS 56 HB2 0.14 0.05 0.04 -0.04 3.26 3.44 2g51A1 HIS 56 HB3 0.15 -0.01 0.04 -0.04 3.20 3.34 2g51A1 HIS 56 HD2 0.05 0.04 -0.29 -0.04 6.97 6.73 2g51A1 HIS 56 HE1 0.01 0.19 0.18 -0.04 7.75 8.09 2g51A1 CYS 57 H -0.37 0.12 -0.40 -0.55 8.50 7.30 2g51A1 CYS 57 HA 0.31 0.06 0.40 -0.75 4.58 4.60 2g51A1 CYS 57 HB2 -0.06 0.15 0.02 -0.04 2.97 3.04 2g51A1 CYS 57 HB3 0.19 0.03 -0.06 -0.04 2.97 3.09 2g51A1 VAL 58 H 0.07 0.33 -0.43 -0.55 8.24 7.66 2g51A1 VAL 58 HA 0.35 0.24 0.83 -0.75 4.13 4.80 2g51A1 VAL 58 HB -0.17 -0.06 -0.12 -0.04 2.12 1.73 2g51A1 VAL 58 HG13 -0.61 -0.01 -0.36 -0.04 0.97 -0.05 2g51A1 VAL 58 HG23 -0.10 0.01 -0.17 -0.04 0.95 0.66 2g51A1 SER 59 H -0.01 0.43 0.09 -0.55 8.46 8.43 2g51A1 SER 59 HA -0.03 -0.05 0.14 -0.75 4.49 3.79 2g51A1 SER 59 HB2 -0.05 0.00 0.01 -0.04 3.95 3.86 2g51A1 SER 59 HB3 0.06 0.01 0.04 -0.04 3.93 4.00 2g51A1 GLY 60 H -0.02 0.10 0.15 -0.55 8.43 8.12 2g51A1 GLY 60 HA2 -0.01 -0.03 0.34 -0.51 4.01 3.80 2g51A1 GLY 60 HA3 -0.08 0.04 0.38 -0.51 4.01 3.83 2g51A1 TYR 61 H 0.00 0.38 -0.66 -0.55 8.29 7.46 2g51A1 TYR 61 HA 0.04 0.05 0.57 -0.75 4.56 4.47 2g51A1 TYR 61 HB2 0.35 0.11 -0.11 -0.04 3.06 3.37 2g51A1 TYR 61 HB3 0.01 -0.05 -0.02 -0.04 2.98 2.87 2g51A1 TYR 61 HD2 0.24 0.02 -0.15 -0.04 7.15 7.22 2g51A1 TYR 61 HE2 0.37 0.05 -0.11 -0.04 6.85 7.12 2g51A1 ALA 62 H 0.08 0.11 0.10 -0.55 8.40 8.15 2g51A1 ALA 62 HA 0.06 0.05 0.48 -0.75 4.34 4.17 2g51A1 ALA 62 HB3 -0.04 0.00 0.14 -0.04 1.41 1.47 2g51A1 GLN 63 H 0.09 0.17 0.20 -0.55 8.47 8.39 2g51A1 GLN 63 HA 0.40 0.15 0.37 -0.75 4.36 4.53 2g51A1 GLN 63 HB2 0.07 -0.04 0.10 -0.04 2.15 2.24 2g51A1 GLN 63 HB3 0.09 0.05 -0.14 -0.04 2.02 1.98 2g51A1 GLN 63 HG2 0.06 -0.00 -0.10 -0.04 2.40 2.32 2g51A1 GLN 63 HG3 0.11 0.13 -0.01 -0.04 2.39 2.58 2g51A1 GLN 63 HE21 0.02 -0.01 0.04 -0.04 6.97 6.98 2g51A1 GLN 63 HE22 0.04 0.06 0.00 -0.04 7.69 7.75 2g51A1 SER 64 H 0.03 0.03 -0.20 -0.55 8.46 7.77 2g51A1 SER 64 HA 0.02 0.12 0.41 -0.75 4.49 4.28 2g51A1 SER 64 HB2 -0.02 0.04 0.07 -0.04 3.95 4.00 2g51A1 SER 64 HB3 -0.00 -0.01 0.09 -0.04 3.93 3.97 2g51A1 GLY 65 H -0.14 0.24 -0.54 -0.55 8.43 7.44 2g51A1 GLY 65 HA2 -0.24 -0.02 0.35 -0.51 4.01 3.59 2g51A1 GLY 65 HA3 -0.51 0.04 0.27 -0.51 4.01 3.31 2g51A1 PHE 66 H 0.05 0.39 -0.35 -0.55 8.34 7.87 2g51A1 PHE 66 HA -0.09 0.34 0.79 -0.75 4.62 4.91 2g51A1 PHE 66 HB2 -0.02 0.04 0.09 -0.04 3.15 3.22 2g51A1 PHE 66 HB3 -0.01 -0.01 -0.05 -0.04 3.06 2.95 2g51A1 PHE 66 HD2 -0.02 0.08 -0.05 -0.04 7.28 7.25 2g51A1 PHE 66 HE2 -0.14 0.02 -0.20 -0.04 7.38 7.03 2g51A1 PHE 66 HZ 0.07 0.07 0.00 -0.04 7.32 7.42 2g51A1 GLN 67 H 0.09 0.52 0.25 -0.55 8.47 8.78 2g51A1 GLN 67 HA 0.05 0.20 0.66 -0.75 4.36 4.51 2g51A1 GLN 67 HB2 -0.00 0.03 -0.07 -0.04 2.15 2.06 2g51A1 GLN 67 HB3 -0.01 -0.07 0.01 -0.04 2.02 1.90 2g51A1 GLN 67 HG2 -0.01 0.13 -0.30 -0.04 2.40 2.19 2g51A1 GLN 67 HG3 0.00 -0.06 -0.11 -0.04 2.39 2.18 2g51A1 GLN 67 HE21 -0.02 -0.02 -0.08 -0.04 6.97 6.81 2g51A1 GLN 67 HE22 -0.01 -0.04 -0.11 -0.04 7.69 7.49 2g51A1 ILE 68 H 0.03 0.73 0.30 -0.55 8.25 8.77 2g51A1 ILE 68 HA 0.01 0.35 0.91 -0.75 4.18 4.70 2g51A1 ILE 68 HB 0.03 0.09 0.10 -0.04 1.89 2.07 2g51A1 ILE 68 HG12 0.03 -0.05 -0.18 -0.04 1.49 1.25 2g51A1 ILE 68 HG13 0.04 0.05 -0.15 -0.04 1.21 1.11 2g51A1 ILE 68 HG23 0.04 -0.02 -0.22 -0.04 0.93 0.69 2g51A1 ILE 68 HD13 0.05 -0.01 -0.37 -0.04 0.88 0.51 2g51A1 ARG 69 H -0.05 0.57 0.34 -0.55 8.46 8.76 2g51A1 ARG 69 HA -0.01 0.25 0.80 -0.75 4.34 4.62 2g51A1 ARG 69 HB2 -0.07 -0.00 -0.13 -0.04 1.90 1.65 2g51A1 ARG 69 HB3 -0.16 -0.05 0.11 -0.04 1.80 1.66 2g51A1 ARG 69 HG2 -0.03 -0.07 -0.38 -0.04 1.67 1.16 2g51A1 ARG 69 HG3 -0.02 0.01 -0.23 -0.04 1.67 1.38 2g51A1 ARG 69 HD2 -0.14 0.06 -0.26 -0.04 3.22 2.84 2g51A1 ARG 69 HD3 -0.04 0.12 -0.51 -0.04 3.22 2.74 2g51A1 ALA 70 H 0.03 0.67 0.29 -0.55 8.40 8.84 2g51A1 ALA 70 HA 0.08 0.28 0.97 -0.75 4.34 4.92 2g51A1 ALA 70 HB3 0.08 0.01 0.02 -0.04 1.41 1.48 2g51A1 GLY 71 H 0.08 0.37 0.21 -0.55 8.43 8.55 2g51A1 GLY 71 HA2 0.04 0.15 0.21 -0.51 4.01 3.90 2g51A1 GLY 71 HA3 0.04 0.01 0.33 -0.51 4.01 3.88 2g51A1 SER 72 H 0.11 0.25 -0.21 -0.55 8.46 8.07 2g51A1 SER 72 HA 0.08 0.05 0.86 -0.75 4.49 4.73 2g51A1 SER 72 HB2 0.04 -0.00 -0.56 -0.04 3.95 3.39 2g51A1 SER 72 HB3 0.07 0.29 -0.19 -0.04 3.93 4.07 2g51A1 LEU 73 H 0.12 0.09 0.13 -0.55 8.37 8.15 2g51A1 LEU 73 HA 0.26 0.17 0.70 -0.75 4.35 4.72 2g51A1 LEU 73 HB2 0.11 -0.02 0.07 -0.04 1.64 1.76 2g51A1 LEU 73 HB3 0.11 -0.04 0.11 -0.04 1.64 1.78 2g51A1 LEU 73 HG 0.06 -0.08 -0.06 -0.04 1.64 1.53 2g51A1 LEU 73 HD13 0.03 -0.01 -0.07 -0.04 0.93 0.84 2g51A1 LEU 73 HD23 0.03 0.05 -0.29 -0.04 0.89 0.65 2g51A1 SER 74 H 0.15 0.02 -0.04 -0.55 8.46 8.05 2g51A1 SER 74 HA 0.29 0.41 0.91 -0.75 4.49 5.34 2g51A1 SER 74 HB2 0.10 -0.04 0.00 -0.04 3.95 3.97 2g51A1 SER 74 HB3 0.06 0.17 0.10 -0.04 3.93 4.22 2g51A1 ARG 75 H -0.14 0.41 0.23 -0.55 8.46 8.41 2g51A1 ARG 75 HA -0.64 0.17 0.69 -0.75 4.34 3.81 2g51A1 ARG 75 HB2 -0.56 -0.02 0.04 -0.04 1.90 1.32 2g51A1 ARG 75 HB3 -1.74 0.00 0.07 -0.04 1.80 0.08 2g51A1 ARG 75 HG2 -0.21 0.14 0.20 -0.04 1.67 1.75 2g51A1 ARG 75 HG3 -0.18 -0.05 -0.05 -0.04 1.67 1.35 2g51A1 ARG 75 HD2 -0.12 -0.09 -0.03 -0.04 3.22 2.93 2g51A1 ARG 75 HD3 -0.17 -0.01 0.02 -0.04 3.22 3.01 2g51A1 THR 76 H -0.08 -0.05 -0.15 -0.55 8.28 7.46 2g51A1 THR 76 HA -0.08 0.28 0.70 -0.75 4.39 4.53 2g51A1 THR 76 HB -0.03 -0.00 -0.02 -0.04 4.32 4.23 2g51A1 THR 76 HG23 -0.05 0.01 -0.11 -0.04 1.22 1.03 2g51A1 SER 77 H -0.02 0.11 -0.08 -0.55 8.46 7.92 2g51A1 SER 77 HA -0.01 0.18 0.54 -0.75 4.49 4.44 2g51A1 SER 77 HB2 0.01 -0.07 -0.10 -0.04 3.95 3.75 2g51A1 SER 77 HB3 0.00 -0.03 0.06 -0.04 3.93 3.93 2g51A1 GLY 78 H 0.00 0.09 0.04 -0.55 8.43 8.02 2g51A1 GLY 78 HA2 0.01 -0.00 0.32 -0.51 4.01 3.84 2g51A1 GLY 78 HA3 0.02 0.03 0.46 -0.51 4.01 4.01 2g51A1 GLY 79 H 0.02 0.01 0.11 -0.55 8.43 8.02 2g51A1 GLY 79 HA2 0.02 -0.04 0.33 -0.51 4.01 3.81 2g51A1 GLY 79 HA3 0.03 0.31 0.34 -0.51 4.01 4.18 2g51A1 ILE 80 H 0.02 0.63 0.34 -0.55 8.25 8.69 2g51A1 ILE 80 HA 0.01 0.13 0.97 -0.75 4.18 4.55 2g51A1 ILE 80 HB 0.03 -0.03 0.04 -0.04 1.89 1.90 2g51A1 ILE 80 HG12 0.02 0.01 -0.04 -0.04 1.49 1.43 2g51A1 ILE 80 HG13 0.02 -0.05 -0.55 -0.04 1.21 0.59 2g51A1 ILE 80 HG23 0.03 0.01 -0.13 -0.04 0.93 0.80 2g51A1 ILE 80 HD13 0.02 -0.00 -0.06 -0.04 0.88 0.80 2g51A1 THR 81 H 0.01 0.11 0.17 -0.55 8.28 8.02 2g51A1 THR 81 HA 0.01 0.36 1.21 -0.75 4.39 5.21 2g51A1 THR 81 HB -0.00 0.00 0.04 -0.04 4.32 4.32 2g51A1 THR 81 HG23 -0.02 0.01 -0.16 -0.04 1.22 1.01 2g51A1 SER 82 H 0.01 0.60 0.34 -0.55 8.46 8.86 2g51A1 SER 82 HA 0.02 0.01 0.68 -0.75 4.49 4.45 2g51A1 SER 82 HB2 0.03 0.19 -0.16 -0.04 3.95 3.97 2g51A1 SER 82 HB3 0.03 -0.04 -0.02 -0.04 3.93 3.86 2g51A1 SER 83 H 0.02 0.08 0.16 -0.55 8.46 8.17 2g51A1 SER 83 HA 0.04 0.32 0.74 -0.75 4.49 4.84 2g51A1 SER 83 HB2 0.02 0.10 0.19 -0.04 3.95 4.21 2g51A1 SER 83 HB3 0.01 0.00 0.13 -0.04 3.93 4.04 2g51A1 LEU 84 H 0.05 0.27 0.15 -0.55 8.37 8.30 2g51A1 LEU 84 HA 0.02 0.18 0.99 -0.75 4.35 4.79 2g51A1 LEU 84 HB2 0.06 -0.00 0.02 -0.04 1.64 1.68 2g51A1 LEU 84 HB3 0.01 0.03 0.02 -0.04 1.64 1.66 2g51A1 LEU 84 HG 0.10 0.07 -0.06 -0.04 1.64 1.70 2g51A1 LEU 84 HD13 -0.08 -0.00 -0.07 -0.04 0.93 0.74 2g51A1 LEU 84 HD23 0.01 0.01 -0.26 -0.04 0.89 0.60 2g51A1 SER 85 H 0.01 0.66 0.22 -0.55 8.46 8.80 2g51A1 SER 85 HA 0.01 0.16 0.87 -0.75 4.49 4.78 2g51A1 SER 85 HB2 0.01 -0.03 -0.03 -0.04 3.95 3.86 2g51A1 SER 85 HB3 0.01 -0.01 -0.12 -0.04 3.93 3.77 2g51A1 SER 86 H -0.00 0.36 0.26 -0.55 8.46 8.53 2g51A1 SER 86 HA 0.00 0.11 0.47 -0.75 4.49 4.32 2g51A1 SER 86 HB2 -0.01 -0.00 0.10 -0.04 3.95 3.99 2g51A1 SER 86 HB3 -0.00 0.13 -0.19 -0.04 3.93 3.83 2g51A1 VAL 87 H -0.02 0.28 0.16 -0.55 8.24 8.11 2g51A1 VAL 87 HA -0.04 0.24 0.91 -0.75 4.13 4.50 2g51A1 VAL 87 HB -0.01 -0.03 0.04 -0.04 2.12 2.08 2g51A1 VAL 87 HG13 -0.05 -0.01 -0.31 -0.04 0.97 0.57 2g51A1 VAL 87 HG23 -0.05 0.01 -0.22 -0.04 0.95 0.65 2g51A1 ARG 88 H -0.03 0.68 0.26 -0.55 8.46 8.82 2g51A1 ARG 88 HA -0.06 0.15 0.94 -0.75 4.34 4.62 2g51A1 VAL 89 H -0.03 0.16 0.10 -0.55 8.24 7.92 2g51A1 VAL 89 HA -0.06 0.11 0.94 -0.75 4.13 4.37 2g51A1 VAL 89 HB -0.02 0.02 0.08 -0.04 2.12 2.15 2g51A1 VAL 89 HG13 -0.16 0.06 0.06 -0.04 0.97 0.89 2g51A1 VAL 89 HG23 -0.10 -0.02 -0.06 -0.04 0.95 0.72 2g51A1 HIS 90 H -0.26 0.52 0.39 -0.55 8.41 8.51 2g51A1 HIS 90 HA -1.58 0.07 0.46 -0.75 4.63 2.82 2g51A1 HIS 90 HB2 -0.56 0.02 0.23 -0.04 3.26 2.92 2g51A1 HIS 90 HB3 -0.23 0.09 0.26 -0.04 3.20 3.28 2g51A1 HIS 90 HD2 -0.34 0.00 0.04 -0.04 6.97 6.62 2g51A1 HIS 90 HE1 -0.03 0.04 -0.01 -0.04 7.75 7.70 2g51A1 PRO 91 HA -0.06 0.15 0.37 -0.51 4.44 4.38 2g51A1 PRO 91 HB2 -0.03 0.02 -0.02 -0.04 2.28 2.21 2g51A1 PRO 91 HB3 -0.04 0.05 0.13 -0.04 2.02 2.12 2g51A1 PRO 91 HG2 -0.28 -0.02 0.06 -0.04 2.03 1.75 2g51A1 PRO 91 HG3 -0.03 0.05 0.08 -0.04 2.03 2.09 2g51A1 PRO 91 HD2 -1.66 -0.00 0.23 -0.04 3.68 2.21 2g51A1 PRO 91 HD3 -0.37 0.22 0.20 -0.04 3.65 3.66 2g51A1 SER 92 H 0.46 0.00 -0.41 -0.55 8.46 7.97 2g51A1 SER 92 HA 0.06 0.19 0.68 -0.75 4.49 4.67 2g51A1 SER 92 HB2 0.25 -0.06 0.00 -0.04 3.95 4.10 2g51A1 SER 92 HB3 0.06 -0.01 0.08 -0.04 3.93 4.02 2g51A1 TYR 93 H 0.20 0.46 -0.19 -0.55 8.29 8.22 2g51A1 TYR 93 HA -0.06 0.24 0.54 -0.75 4.56 4.54 2g51A1 TYR 93 HB2 -0.03 -0.02 0.23 -0.04 3.06 3.20 2g51A1 TYR 93 HB3 -0.03 0.00 0.11 -0.04 2.98 3.02 2g51A1 TYR 93 HD2 -0.04 0.11 -0.18 -0.04 7.15 7.01 2g51A1 TYR 93 HE2 -0.01 -0.01 -0.17 -0.04 6.85 6.61 2g51A1 SER 94 H -0.23 0.55 0.15 -0.55 8.46 8.38 2g51A1 SER 94 HA -0.40 0.02 0.53 -0.75 4.49 3.89 2g51A1 SER 94 HB2 -0.12 0.17 -0.25 -0.04 3.95 3.71 2g51A1 SER 94 HB3 -0.12 -0.03 -0.04 -0.04 3.93 3.70 2g51A1 GLY 95 H -0.32 0.15 0.09 -0.55 8.43 7.80 2g51A1 GLY 95 HA2 -0.25 0.07 0.31 -0.51 4.01 3.62 2g51A1 GLY 95 HA3 -0.25 0.01 0.57 -0.51 4.01 3.84 2g51A1 ASN 96 H -0.35 0.14 0.18 -0.55 8.53 7.95 2g51A1 ASN 96 HA -0.21 0.10 0.46 -0.75 4.76 4.35 2g51A1 ASN 96 HB2 -0.69 0.07 0.05 -0.04 2.88 2.27 2g51A1 ASN 96 HB3 -0.98 -0.04 0.05 -0.04 2.79 1.78 2g51A1 ASN 96 HD21 -0.54 0.02 -0.04 -0.04 7.03 6.43 2g51A1 ASN 96 HD22 -0.45 0.04 -0.07 -0.04 7.74 7.22 2g51A1 ASN 97 H -0.15 0.66 -0.24 -0.55 8.53 8.26 2g51A1 ASN 97 HA 0.02 -0.02 0.44 -0.75 4.76 4.44 2g51A1 ASN 97 HB2 -0.08 -0.01 0.10 -0.04 2.88 2.86 2g51A1 ASN 97 HB3 -0.07 0.14 0.12 -0.04 2.79 2.95 2g51A1 ASN 97 HD21 -0.02 -0.08 -0.01 -0.04 7.03 6.88 2g51A1 ASN 97 HD22 -0.04 0.08 -0.02 -0.04 7.74 7.72 2g51A1 ASN 98 H 0.01 0.10 0.16 -0.55 8.53 8.26 2g51A1 ASN 98 HA -0.14 0.02 0.34 -0.75 4.76 4.22 2g51A1 ASN 98 HB2 -0.07 0.23 -0.19 -0.04 2.88 2.81 2g51A1 ASN 98 HB3 -0.75 -0.08 0.08 -0.04 2.79 2.00 2g51A1 ASN 98 HD21 -0.06 -0.05 -0.09 -0.04 7.03 6.80 2g51A1 ASN 98 HD22 -0.05 0.46 -0.24 -0.04 7.74 7.87 2g51A1 ASP 99 H 0.07 0.13 -0.03 -0.55 8.40 8.03 2g51A1 ASP 99 HA -0.07 0.11 0.39 -0.75 4.63 4.31 2g51A1 ASP 99 HB2 0.20 0.29 -0.07 -0.04 2.71 3.09 2g51A1 ASP 99 HB3 0.14 -0.03 0.22 -0.04 2.70 2.99 2g51A1 LEU 100 H -0.11 0.60 0.25 -0.55 8.37 8.56 2g51A1 LEU 100 HA 0.01 0.39 1.09 -0.75 4.35 5.07 2g51A1 LEU 100 HB2 0.10 -0.05 -0.03 -0.04 1.64 1.62 2g51A1 LEU 100 HB3 0.24 0.06 -0.01 -0.04 1.64 1.89 2g51A1 LEU 100 HG 0.07 -0.14 -0.36 -0.04 1.64 1.18 2g51A1 LEU 100 HD13 0.18 -0.00 -0.19 -0.04 0.93 0.88 2g51A1 LEU 100 HD23 0.08 0.08 -0.05 -0.04 0.89 0.96 2g51A1 ALA 101 H 0.08 0.58 0.27 -0.55 8.40 8.78 2g51A1 ALA 101 HA 0.18 0.20 0.82 -0.75 4.34 4.79 2g51A1 ALA 101 HB3 -0.06 -0.01 -0.27 -0.04 1.41 1.03 2g51A1 ILE 102 H 0.13 0.67 0.30 -0.55 8.25 8.80 2g51A1 ILE 102 HA -0.00 0.23 0.85 -0.75 4.18 4.50 2g51A1 ILE 102 HB -0.12 -0.01 0.11 -0.04 1.89 1.83 2g51A1 ILE 102 HG12 -0.20 -0.13 -0.25 -0.04 1.49 0.87 2g51A1 ILE 102 HG13 -0.49 0.03 -0.15 -0.04 1.21 0.55 2g51A1 ILE 102 HG23 -0.06 0.01 -0.27 -0.04 0.93 0.57 2g51A1 ILE 102 HD13 -0.08 0.01 -0.11 -0.04 0.88 0.67 2g51A1 LEU 103 H -0.01 0.81 0.36 -0.55 8.37 8.99 2g51A1 LEU 103 HA -0.03 0.22 1.03 -0.75 4.35 4.81 2g51A1 LEU 103 HB2 -0.01 -0.11 0.06 -0.04 1.64 1.54 2g51A1 LEU 103 HB3 -0.04 0.07 0.03 -0.04 1.64 1.66 2g51A1 LEU 103 HG -0.03 0.07 -0.16 -0.04 1.64 1.48 2g51A1 LEU 103 HD13 -0.07 -0.00 -0.19 -0.04 0.93 0.63 2g51A1 LEU 103 HD23 -0.09 -0.01 -0.33 -0.04 0.89 0.41 2g51A1 LYS 104 H -0.02 0.36 0.19 -0.55 8.42 8.40 2g51A1 LYS 104 HA -0.01 0.45 1.14 -0.75 4.32 5.14 2g51A1 LYS 104 HB2 -0.01 -0.15 0.08 -0.04 1.87 1.75 2g51A1 LYS 104 HB3 -0.01 0.08 0.08 -0.04 1.79 1.90 2g51A1 LYS 104 HG2 -0.02 -0.08 -0.21 -0.04 1.46 1.12 2g51A1 LYS 104 HG3 -0.01 -0.02 -0.06 -0.04 1.46 1.34 2g51A1 LYS 104 HD2 -0.01 -0.04 -0.00 -0.04 1.69 1.59 2g51A1 LYS 104 HD3 -0.02 0.14 0.04 -0.04 1.68 1.80 2g51A1 LYS 104 HE2 -0.02 -0.06 -0.10 -0.04 2.99 2.77 2g51A1 LYS 104 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.91 2g51A1 LEU 105 H -0.00 0.63 0.27 -0.55 8.37 8.72 2g51A1 LEU 105 HA 0.01 0.17 0.67 -0.75 4.35 4.45 2g51A1 LEU 105 HB2 0.01 -0.04 0.01 -0.04 1.64 1.58 2g51A1 LEU 105 HB3 0.02 0.05 -0.04 -0.04 1.64 1.63 2g51A1 LEU 105 HG 0.01 -0.00 -0.45 -0.04 1.64 1.16 2g51A1 LEU 105 HD13 0.04 0.04 -0.14 -0.04 0.93 0.83 2g51A1 LEU 105 HD23 0.02 -0.01 -0.27 -0.04 0.89 0.59 2g51A1 SER 106 H 0.02 0.65 0.14 -0.55 8.46 8.71 2g51A1 SER 106 HA 0.01 0.06 0.38 -0.75 4.49 4.18 2g51A1 SER 106 HB2 0.01 -0.07 -0.02 -0.04 3.95 3.83 2g51A1 SER 106 HB3 0.01 -0.01 -0.02 -0.04 3.93 3.86 2g51A1 THR 107 H 0.02 0.19 -0.16 -0.55 8.28 7.77 2g51A1 THR 107 HA 0.02 0.12 0.86 -0.75 4.39 4.63 2g51A1 THR 107 HB 0.02 0.05 0.14 -0.04 4.32 4.49 2g51A1 THR 107 HG23 0.02 0.05 -0.05 -0.04 1.22 1.20 2g51A1 SER 108 H 0.02 0.07 0.07 -0.55 8.46 8.08 2g51A1 SER 108 HA 0.03 0.29 0.49 -0.75 4.49 4.54 2g51A1 SER 108 HB2 0.03 -0.04 0.03 -0.04 3.95 3.93 2g51A1 SER 108 HB3 0.03 -0.06 -0.10 -0.04 3.93 3.76 2g51A1 ILE 109 H 0.08 0.65 0.31 -0.55 8.25 8.75 2g51A1 ILE 109 HA 0.07 0.18 0.77 -0.75 4.18 4.44 2g51A1 ILE 109 HB 0.14 -0.02 0.09 -0.04 1.89 2.06 2g51A1 ILE 109 HG12 0.05 0.03 -0.32 -0.04 1.49 1.21 2g51A1 ILE 109 HG13 0.06 0.16 -0.20 -0.04 1.21 1.19 2g51A1 ILE 109 HG23 0.09 -0.00 -0.17 -0.04 0.93 0.81 2g51A1 ILE 109 HD13 0.06 -0.03 -0.20 -0.04 0.88 0.67 2g51A1 PRO 110 HA 0.17 -0.02 0.47 -0.51 4.44 4.55 2g51A1 PRO 110 HB2 0.04 0.15 0.00 -0.04 2.28 2.43 2g51A1 PRO 110 HB3 0.06 -0.04 0.04 -0.04 2.02 2.04 2g51A1 PRO 110 HG2 0.03 0.04 -0.02 -0.04 2.03 2.03 2g51A1 PRO 110 HG3 0.03 0.01 0.02 -0.04 2.03 2.05 2g51A1 PRO 110 HD2 0.05 0.08 0.15 -0.04 3.68 3.92 2g51A1 PRO 110 HD3 0.05 0.22 0.14 -0.04 3.65 4.02 2g51A1 SER 111 H 0.02 0.01 0.11 -0.55 8.46 8.05 2g51A1 SER 111 HA -0.25 0.18 0.53 -0.75 4.49 4.20 2g51A1 SER 111 HB2 -0.31 0.06 0.06 -0.04 3.95 3.72 2g51A1 SER 111 HB3 -1.09 -0.05 -0.02 -0.04 3.93 2.73 2g51A1 GLY 112 H -0.10 0.84 0.17 -0.55 8.43 8.80 2g51A1 GLY 112 HA2 -0.04 -0.05 0.35 -0.51 4.01 3.76 2g51A1 GLY 112 HA3 -0.03 0.13 0.70 -0.51 4.01 4.30 2g51A1 GLY 113 H -0.02 0.09 0.15 -0.55 8.43 8.11 2g51A1 GLY 113 HA2 -0.01 0.02 0.37 -0.51 4.01 3.88 2g51A1 GLY 113 HA3 -0.01 0.04 0.45 -0.51 4.01 3.99 2g51A1 ASN 114 H -0.00 0.14 0.24 -0.55 8.53 8.36 2g51A1 ASN 114 HA -0.01 0.14 0.60 -0.75 4.76 4.73 2g51A1 ASN 114 HB2 0.01 0.09 0.16 -0.04 2.88 3.10 2g51A1 ASN 114 HB3 0.01 -0.07 0.18 -0.04 2.79 2.87 2g51A1 ASN 114 HD21 0.00 -0.00 -0.02 -0.04 7.03 6.97 2g51A1 ASN 114 HD22 0.01 0.07 0.05 -0.04 7.74 7.83 2g51A1 ILE 115 H -0.02 0.48 -0.25 -0.55 8.25 7.92 2g51A1 ILE 115 HA 0.00 0.39 1.08 -0.75 4.18 4.90 2g51A1 ILE 115 HB -0.03 0.11 0.13 -0.04 1.89 2.06 2g51A1 ILE 115 HG12 0.03 -0.02 -0.07 -0.04 1.49 1.39 2g51A1 ILE 115 HG13 0.01 -0.17 -0.08 -0.04 1.21 0.93 2g51A1 ILE 115 HG23 -0.02 -0.01 -0.18 -0.04 0.93 0.69 2g51A1 ILE 115 HD13 0.03 0.01 -0.10 -0.04 0.88 0.78 2g51A1 GLY 116 H -0.00 0.63 0.00 -0.55 8.43 8.51 2g51A1 GLY 116 HA2 -0.29 0.01 0.52 -0.51 4.01 3.73 2g51A1 GLY 116 HA3 -0.03 0.02 0.14 -0.51 4.01 3.64 2g51A1 TYR 117 H -0.09 0.11 0.08 -0.55 8.29 7.83 2g51A1 TYR 117 HA 0.12 0.33 0.79 -0.75 4.56 5.05 2g51A1 TYR 117 HB2 0.03 -0.07 0.02 -0.04 3.06 3.01 2g51A1 TYR 117 HB3 0.03 0.31 -0.14 -0.04 2.98 3.14 2g51A1 TYR 117 HD2 0.05 0.10 -0.19 -0.04 7.15 7.07 2g51A1 TYR 117 HE2 0.04 0.10 -0.18 -0.04 6.85 6.76 2g51A1 ALA 118 H 0.11 0.59 0.28 -0.55 8.40 8.84 2g51A1 ALA 118 HA -0.47 -0.01 0.49 -0.75 4.34 3.60 2g51A1 ALA 118 HB3 -0.58 -0.01 0.02 -0.04 1.41 0.81 2g51A1 ARG 119 H -0.13 0.16 0.24 -0.55 8.46 8.18 2g51A1 ARG 119 HA -0.04 0.19 0.77 -0.75 4.34 4.51 2g51A1 ARG 119 HB2 -0.02 -0.02 0.12 -0.04 1.90 1.93 2g51A1 ARG 119 HB3 -0.02 -0.01 0.05 -0.04 1.80 1.79 2g51A1 ARG 119 HG2 0.01 0.06 0.00 -0.04 1.67 1.71 2g51A1 ARG 119 HG3 0.01 -0.02 0.03 -0.04 1.67 1.65 2g51A1 ARG 119 HD2 0.00 -0.02 0.14 -0.04 3.22 3.30 2g51A1 ARG 119 HD3 0.03 0.11 -0.06 -0.04 3.22 3.25 2g51A1 LEU 120 H -0.04 0.19 0.07 -0.55 8.37 8.04 2g51A1 LEU 120 HA -0.06 0.14 0.68 -0.75 4.35 4.36 2g51A1 LEU 120 HB2 -0.02 -0.01 -0.02 -0.04 1.64 1.54 2g51A1 LEU 120 HB3 -0.01 0.08 -0.07 -0.04 1.64 1.59 2g51A1 LEU 120 HG -0.05 0.05 -0.24 -0.04 1.64 1.35 2g51A1 LEU 120 HD13 -0.02 0.00 -0.08 -0.04 0.93 0.79 2g51A1 LEU 120 HD23 -0.05 -0.00 -0.14 -0.04 0.89 0.66 2g51A1 ALA 121 H -0.02 0.51 0.18 -0.55 8.40 8.52 2g51A1 ALA 121 HA -0.03 -0.05 0.33 -0.75 4.34 3.84 2g51A1 ALA 121 HB3 -0.03 -0.02 0.04 -0.04 1.41 1.35 2g51A1 ALA 122 H -0.02 0.04 0.13 -0.55 8.40 8.00 2g51A1 ALA 122 HA -0.01 0.08 0.42 -0.75 4.34 4.08 2g51A1 ALA 122 HB3 -0.01 0.01 0.06 -0.04 1.41 1.44 2g51A1 SER 123 H 0.00 0.10 0.17 -0.55 8.46 8.18 2g51A1 SER 123 HA 0.02 0.15 0.55 -0.75 4.49 4.46 2g51A1 SER 123 HB2 0.01 0.00 0.14 -0.04 3.95 4.06 2g51A1 SER 123 HB3 0.01 -0.02 0.17 -0.04 3.93 4.05 2g51A1 GLY 124 H 0.02 0.57 0.28 -0.55 8.43 8.75 2g51A1 GLY 124 HA2 0.02 0.02 0.27 -0.51 4.01 3.80 2g51A1 GLY 124 HA3 0.01 0.04 0.36 -0.51 4.01 3.91 2g51A1 SER 125 H -0.00 0.46 -0.40 -0.55 8.46 7.97 2g51A1 SER 125 HA -0.02 0.09 0.58 -0.75 4.49 4.38 2g51A1 SER 125 HB2 -0.04 -0.07 0.03 -0.04 3.95 3.83 2g51A1 SER 125 HB3 -0.02 0.00 -0.02 -0.04 3.93 3.85 2g51A1 ASP 126 H -0.05 0.22 0.08 -0.55 8.40 8.10 2g51A1 ASP 126 HA -0.08 0.12 0.59 -0.75 4.63 4.51 2g51A1 ASP 126 HB2 -0.00 0.12 -0.20 -0.04 2.71 2.58 2g51A1 ASP 126 HB3 -0.02 -0.05 0.05 -0.04 2.70 2.65 2g51A1 PRO 127 HA -0.17 -0.02 0.36 -0.51 4.44 4.10 2g51A1 PRO 127 HB2 -0.38 0.03 -0.04 -0.04 2.28 1.86 2g51A1 PRO 127 HB3 -0.35 0.03 -0.01 -0.04 2.02 1.64 2g51A1 PRO 127 HG2 -1.99 0.07 -0.05 -0.04 2.03 0.02 2g51A1 PRO 127 HG3 -0.60 0.00 -0.01 -0.04 2.03 1.38 2g51A1 PRO 127 HD2 -0.37 0.12 0.11 -0.04 3.68 3.50 2g51A1 PRO 127 HD3 -0.33 0.12 0.09 -0.04 3.65 3.48 2g51A1 VAL 128 H -0.08 0.08 0.19 -0.55 8.24 7.88 2g51A1 VAL 128 HA -0.03 0.10 0.55 -0.75 4.13 4.00 2g51A1 VAL 128 HB -0.03 -0.06 0.15 -0.04 2.12 2.14 2g51A1 VAL 128 HG13 -0.02 0.06 -0.05 -0.04 0.97 0.92 2g51A1 VAL 128 HG23 -0.03 0.01 0.07 -0.04 0.95 0.96 2g51A1 ALA 129 H -0.00 0.09 0.16 -0.55 8.40 8.10 2g51A1 ALA 129 HA 0.01 0.06 0.17 -0.75 4.34 3.82 2g51A1 ALA 129 HB3 0.01 -0.01 0.10 -0.04 1.41 1.46 2g51A1 GLY 130 H 0.01 0.77 0.31 -0.55 8.43 8.97 2g51A1 GLY 130 HA2 0.00 0.01 0.43 -0.51 4.01 3.94 2g51A1 GLY 130 HA3 -0.00 0.07 0.54 -0.51 4.01 4.10 2g51A1 SER 131 H -0.02 0.49 -0.36 -0.55 8.46 8.03 2g51A1 SER 131 HA -0.02 0.08 0.63 -0.75 4.49 4.43 2g51A1 SER 131 HB2 -0.03 -0.07 0.14 -0.04 3.95 3.95 2g51A1 SER 131 HB3 -0.03 0.03 0.12 -0.04 3.93 4.01 2g51A1 SER 132 H -0.01 0.10 0.17 -0.55 8.46 8.17 2g51A1 SER 132 HA -0.00 0.16 0.59 -0.75 4.49 4.48 2g51A1 SER 132 HB2 -0.00 0.06 -0.03 -0.04 3.95 3.93 2g51A1 SER 132 HB3 -0.01 -0.06 0.14 -0.04 3.93 3.96 2g51A1 ALA 133 H -0.01 0.71 0.32 -0.55 8.40 8.88 2g51A1 ALA 133 HA -0.01 0.19 0.89 -0.75 4.34 4.66 2g51A1 ALA 133 HB3 -0.03 -0.01 -0.08 -0.04 1.41 1.24 2g51A1 THR 134 H 0.04 0.57 0.25 -0.55 8.28 8.59 2g51A1 THR 134 HA 0.03 0.32 1.17 -0.75 4.39 5.16 2g51A1 THR 134 HB 0.17 -0.03 0.04 -0.04 4.32 4.46 2g51A1 THR 134 HG23 0.17 0.01 -0.24 -0.04 1.22 1.12 2g51A1 VAL 135 H -0.01 0.66 0.32 -0.55 8.24 8.67 2g51A1 VAL 135 HA -0.09 0.31 1.16 -0.75 4.13 4.76 2g51A1 VAL 135 HB -0.08 -0.09 -0.10 -0.04 2.12 1.81 2g51A1 VAL 135 HG13 0.04 -0.01 -0.15 -0.04 0.97 0.81 2g51A1 VAL 135 HG23 0.09 0.03 -0.14 -0.04 0.95 0.90 2g51A1 ALA 136 H -0.22 0.58 0.30 -0.55 8.40 8.51 2g51A1 ALA 136 HA -0.24 0.22 1.12 -0.75 4.34 4.69 2g51A1 ALA 136 HB3 -0.76 -0.01 0.02 -0.04 1.41 0.62 2g51A1 GLY 137 H -0.31 0.57 0.33 -0.55 8.43 8.48 2g51A1 GLY 137 HA2 -0.36 0.07 0.25 -0.51 4.01 3.46 2g51A1 GLY 137 HA3 -0.09 -0.02 0.61 -0.51 4.01 4.01 2g51A1 TRP 138 H 0.33 0.19 0.06 -0.55 7.97 8.01 2g51A1 TRP 138 HA 0.01 0.25 0.82 -0.75 4.62 4.95 2g51A1 TRP 138 HB2 0.02 -0.01 0.01 -0.04 3.23 3.21 2g51A1 TRP 138 HB3 0.02 0.08 0.12 -0.04 3.23 3.42 2g51A1 TRP 138 HD1 0.02 0.19 -0.34 -0.04 7.22 7.04 2g51A1 TRP 138 HE1 0.02 0.31 0.08 -0.04 10.20 10.57 2g51A1 TRP 138 HE3 0.00 0.02 0.03 -0.04 7.59 7.60 2g51A1 TRP 138 HZ2 0.01 0.14 -0.25 -0.04 7.44 7.30 2g51A1 TRP 138 HZ3 -0.00 0.13 -0.23 -0.04 7.13 6.99 2g51A1 TRP 138 HH2 0.00 0.04 -0.28 -0.04 7.19 6.91 2g51A1 GLY 139 H 0.09 -0.09 -0.34 -0.55 8.43 7.54 2g51A1 GLY 139 HA2 0.08 0.05 0.58 -0.51 4.01 4.21 2g51A1 GLY 139 HA3 0.04 -0.09 0.01 -0.51 4.01 3.46 2g51A1 ALA 140 H 0.02 0.46 0.14 -0.55 8.40 8.48 2g51A1 ALA 140 HA 0.03 0.12 0.39 -0.75 4.34 4.12 2g51A1 ALA 140 HB3 0.01 -0.04 0.11 -0.04 1.41 1.46 2g51A1 THR 141 H 0.02 0.10 0.14 -0.55 8.28 8.00 2g51A1 THR 141 HA 0.01 0.52 0.54 -0.75 4.39 4.70 2g51A1 THR 141 HB 0.01 -0.09 0.18 -0.04 4.32 4.38 2g51A1 THR 141 HG23 0.01 0.07 -0.00 -0.04 1.22 1.26 2g51A1 SER 142 H 0.01 0.11 -0.04 -0.55 8.46 8.00 2g51A1 SER 142 HA 0.01 0.13 0.10 -0.75 4.49 3.97 2g51A1 SER 142 HB2 0.01 0.02 0.08 -0.04 3.95 4.02 2g51A1 SER 142 HB3 0.01 0.10 0.11 -0.04 3.93 4.11 2g51A1 GLU 143 H 0.00 0.20 0.05 -0.55 8.60 8.31 2g51A1 GLU 143 HA 0.00 -0.00 0.44 -0.75 4.29 3.97 2g51A1 GLU 143 HB2 0.00 0.13 0.17 -0.04 2.09 2.34 2g51A1 GLU 143 HB3 0.00 0.05 0.14 -0.04 1.99 2.14 2g51A1 GLU 143 HG2 -0.00 0.07 -0.08 -0.04 2.34 2.28 2g51A1 GLU 143 HG3 -0.01 -0.09 0.07 -0.04 2.34 2.27 2g51A1 GLY 144 H 0.00 0.10 0.19 -0.55 8.43 8.17 2g51A1 GLY 144 HA2 0.00 0.03 0.32 -0.51 4.01 3.85 2g51A1 GLY 144 HA3 0.00 0.06 0.41 -0.51 4.01 3.98 2g51A1 GLY 145 H 0.01 0.35 -0.56 -0.55 8.43 7.68 2g51A1 GLY 145 HA2 0.01 -0.01 0.38 -0.51 4.01 3.88 2g51A1 GLY 145 HA3 0.02 -0.02 0.26 -0.51 4.01 3.76 2g51A1 SER 146 H 0.02 0.01 0.21 -0.55 8.46 8.15 2g51A1 SER 146 HA 0.03 0.20 0.73 -0.75 4.49 4.70 2g51A1 SER 146 HB2 0.02 0.00 0.04 -0.04 3.95 3.98 2g51A1 SER 146 HB3 0.02 0.06 0.04 -0.04 3.93 4.01 2g51A1 SER 147 H 0.02 -0.08 0.09 -0.55 8.46 7.94 2g51A1 SER 147 HA 0.03 0.16 0.77 -0.75 4.49 4.70 2g51A1 SER 147 HB2 0.02 -0.06 0.09 -0.04 3.95 3.96 2g51A1 SER 147 HB3 0.03 -0.02 0.02 -0.04 3.93 3.92 2g51A1 THR 148 H 0.05 0.19 0.10 -0.55 8.28 8.07 2g51A1 THR 148 HA 0.06 0.21 0.81 -0.75 4.39 4.72 2g51A1 THR 148 HB 0.12 0.43 -0.00 -0.04 4.32 4.82 2g51A1 THR 148 HG23 0.06 -0.04 -0.29 -0.04 1.22 0.91 2g51A1 PRO 149 HA 0.08 -0.04 0.43 -0.51 4.44 4.40 2g51A1 PRO 149 HB2 0.08 0.12 -0.08 -0.04 2.28 2.36 2g51A1 PRO 149 HB3 0.05 -0.05 0.04 -0.04 2.02 2.01 2g51A1 PRO 149 HG2 0.10 0.03 -0.02 -0.04 2.03 2.10 2g51A1 PRO 149 HG3 0.03 0.08 -0.01 -0.04 2.03 2.08 2g51A1 PRO 149 HD2 0.11 0.31 -0.10 -0.04 3.68 3.96 2g51A1 PRO 149 HD3 0.06 0.03 0.03 -0.04 3.65 3.73 2g51A1 VAL 150 H 0.10 0.05 0.19 -0.55 8.24 8.02 2g51A1 VAL 150 HA 0.14 0.10 0.52 -0.75 4.13 4.14 2g51A1 VAL 150 HB 0.08 -0.04 0.16 -0.04 2.12 2.27 2g51A1 VAL 150 HG13 0.08 -0.02 -0.10 -0.04 0.97 0.89 2g51A1 VAL 150 HG23 0.05 0.02 0.05 -0.04 0.95 1.03 2g51A1 ASN 151 H 0.13 0.01 -0.00 -0.55 8.53 8.12 2g51A1 ASN 151 HA 0.33 0.39 0.93 -0.75 4.76 5.66 2g51A1 ASN 151 HB2 0.06 -0.03 0.01 -0.04 2.88 2.88 2g51A1 ASN 151 HB3 0.07 0.05 0.00 -0.04 2.79 2.87 2g51A1 ASN 151 HD21 0.06 -0.01 -0.05 -0.04 7.03 6.99 2g51A1 ASN 151 HD22 0.06 0.01 -0.01 -0.04 7.74 7.76 2g51A1 LEU 152 H 0.06 0.35 0.25 -0.55 8.37 8.48 2g51A1 LEU 152 HA -1.11 0.11 0.25 -0.75 4.35 2.84 2g51A1 LEU 152 HB2 -0.52 0.13 0.15 -0.04 1.64 1.36 2g51A1 LEU 152 HB3 -0.20 -0.12 0.15 -0.04 1.64 1.44 2g51A1 LEU 152 HG -0.40 0.04 -0.19 -0.04 1.64 1.05 2g51A1 LEU 152 HD13 -1.64 0.01 -0.10 -0.04 0.93 -0.84 2g51A1 LEU 152 HD23 -0.17 -0.02 -0.05 -0.04 0.89 0.61 2g51A1 LEU 153 H -0.41 0.58 0.37 -0.55 8.37 8.37 2g51A1 LEU 153 HA -0.10 0.15 0.97 -0.75 4.35 4.63 2g51A1 LEU 153 HB2 -0.11 0.11 0.08 -0.04 1.64 1.67 2g51A1 LEU 153 HB3 -0.06 -0.10 0.01 -0.04 1.64 1.44 2g51A1 LEU 153 HG -0.07 0.15 -0.10 -0.04 1.64 1.58 2g51A1 LEU 153 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.82 2g51A1 LEU 153 HD23 -0.03 -0.04 -0.29 -0.04 0.89 0.49 2g51A1 LYS 154 H -0.04 0.67 0.36 -0.55 8.42 8.85 2g51A1 LYS 154 HA -0.08 0.30 0.90 -0.75 4.32 4.69 2g51A1 LYS 154 HB2 0.13 -0.00 -0.04 -0.04 1.87 1.92 2g51A1 LYS 154 HB3 0.14 -0.03 -0.17 -0.04 1.79 1.69 2g51A1 LYS 154 HG2 0.04 0.12 -0.22 -0.04 1.46 1.36 2g51A1 LYS 154 HG3 0.05 -0.05 -0.31 -0.04 1.46 1.11 2g51A1 LYS 154 HD2 0.13 -0.01 -0.15 -0.04 1.69 1.63 2g51A1 LYS 154 HD3 0.16 -0.06 -0.10 -0.04 1.68 1.65 2g51A1 LYS 154 HE2 -0.00 0.17 -0.08 -0.04 2.99 3.04 2g51A1 LYS 154 HE3 0.01 -0.02 -0.12 -0.04 2.99 2.81 2g51A1 VAL 155 H -0.01 0.59 0.32 -0.55 8.24 8.59 2g51A1 VAL 155 HA 0.01 0.12 0.73 -0.75 4.13 4.24 2g51A1 VAL 155 HB -0.00 0.02 -0.42 -0.04 2.12 1.67 2g51A1 VAL 155 HG13 0.01 -0.01 -0.27 -0.04 0.97 0.66 2g51A1 VAL 155 HG23 0.01 0.07 -0.05 -0.04 0.95 0.93 2g51A1 THR 156 H 0.01 0.24 0.15 -0.55 8.28 8.14 2g51A1 THR 156 HA 0.02 0.34 1.19 -0.75 4.39 5.19 2g51A1 THR 156 HB 0.01 -0.02 0.08 -0.04 4.32 4.34 2g51A1 THR 156 HG23 0.01 0.01 -0.27 -0.04 1.22 0.93 2g51A1 VAL 157 H 0.01 0.71 0.30 -0.55 8.24 8.71 2g51A1 VAL 157 HA 0.01 0.19 0.78 -0.75 4.13 4.36 2g51A1 VAL 157 HB 0.03 -0.03 -0.10 -0.04 2.12 1.98 2g51A1 VAL 157 HG13 0.03 0.02 -0.41 -0.04 0.97 0.57 2g51A1 VAL 157 HG23 0.02 -0.01 -0.26 -0.04 0.95 0.66 2g51A1 PRO 158 HA 0.01 0.25 0.65 -0.51 4.44 4.83 2g51A1 PRO 158 HB2 0.01 0.05 -0.05 -0.04 2.28 2.24 2g51A1 PRO 158 HB3 0.01 0.10 0.04 -0.04 2.02 2.13 2g51A1 PRO 158 HG2 0.01 0.10 0.10 -0.04 2.03 2.20 2g51A1 PRO 158 HG3 0.01 0.03 0.07 -0.04 2.03 2.10 2g51A1 PRO 158 HD2 0.02 0.09 -0.03 -0.04 3.68 3.71 2g51A1 PRO 158 HD3 0.01 0.15 0.14 -0.04 3.65 3.91 2g51A1 ILE 159 H 0.01 0.65 0.23 -0.55 8.25 8.59 2g51A1 ILE 159 HA 0.09 0.19 0.72 -0.75 4.18 4.43 2g51A1 ILE 159 HB -0.00 -0.05 -0.04 -0.04 1.89 1.76 2g51A1 ILE 159 HG12 -0.03 0.17 -0.06 -0.04 1.49 1.53 2g51A1 ILE 159 HG13 -0.09 -0.12 -0.19 -0.04 1.21 0.76 2g51A1 ILE 159 HG23 0.06 0.03 -0.38 -0.04 0.93 0.59 2g51A1 ILE 159 HD13 0.00 -0.00 -0.16 -0.04 0.88 0.68 2g51A1 VAL 160 H 0.09 0.59 0.11 -0.55 8.24 8.49 2g51A1 VAL 160 HA 0.03 0.06 0.73 -0.75 4.13 4.20 2g51A1 VAL 160 HB 0.06 -0.05 -0.18 -0.04 2.12 1.91 2g51A1 VAL 160 HG13 0.02 0.02 -0.18 -0.04 0.97 0.79 2g51A1 VAL 160 HG23 0.03 0.02 -0.18 -0.04 0.95 0.78 2g51A1 SER 161 H 0.03 0.14 0.12 -0.55 8.46 8.20 2g51A1 SER 161 HA 0.04 0.12 0.40 -0.75 4.49 4.30 2g51A1 SER 161 HB2 0.02 0.02 0.16 -0.04 3.95 4.11 2g51A1 SER 161 HB3 0.02 0.11 0.18 -0.04 3.93 4.19 2g51A1 ARG 162 H 0.05 0.21 0.22 -0.55 8.46 8.39 2g51A1 ARG 162 HA 0.07 0.12 0.51 -0.75 4.34 4.28 2g51A1 ARG 162 HB2 0.07 0.08 0.18 -0.04 1.90 2.18 2g51A1 ARG 162 HB3 0.05 -0.04 0.09 -0.04 1.80 1.86 2g51A1 ARG 162 HG2 0.06 -0.01 -0.13 -0.04 1.67 1.55 2g51A1 ARG 162 HG3 0.07 -0.00 -0.01 -0.04 1.67 1.69 2g51A1 ARG 162 HD2 0.05 -0.07 -0.06 -0.04 3.22 3.10 2g51A1 ARG 162 HD3 0.06 0.08 -0.27 -0.04 3.22 3.05 2g51A1 ALA 163 H 0.03 0.06 -0.15 -0.55 8.40 7.80 2g51A1 ALA 163 HA 0.03 0.13 0.38 -0.75 4.34 4.13 2g51A1 ALA 163 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 2g51A1 THR 164 H 0.02 0.01 -0.25 -0.55 8.28 7.51 2g51A1 THR 164 HA -0.00 0.10 0.44 -0.75 4.39 4.18 2g51A1 THR 164 HB 0.01 -0.01 0.07 -0.04 4.32 4.34 2g51A1 THR 164 HG23 -0.02 0.02 -0.13 -0.04 1.22 1.04 2g51A1 CYS 165 H 0.04 0.68 -0.18 -0.55 8.50 8.49 2g51A1 CYS 165 HA 0.09 -0.00 0.36 -0.75 4.58 4.27 2g51A1 CYS 165 HB2 0.06 0.08 -0.04 -0.04 2.97 3.04 2g51A1 CYS 165 HB3 0.07 0.09 0.03 -0.04 2.97 3.12 2g51A1 ARG 166 H 0.07 0.65 -0.20 -0.55 8.46 8.43 2g51A1 ARG 166 HA 0.13 0.15 0.41 -0.75 4.34 4.28 2g51A1 ARG 166 HB2 0.05 0.08 0.10 -0.04 1.90 2.10 2g51A1 ARG 166 HB3 0.06 -0.14 -0.14 -0.04 1.80 1.54 2g51A1 ARG 166 HG2 0.09 0.11 0.10 -0.04 1.67 1.93 2g51A1 ARG 166 HG3 0.08 0.01 0.03 -0.04 1.67 1.75 2g51A1 ARG 166 HD2 0.05 -0.12 -0.14 -0.04 3.22 2.96 2g51A1 ARG 166 HD3 0.05 -0.12 0.02 -0.04 3.22 3.13 2g51A1 ALA 167 H 0.02 0.37 -0.35 -0.55 8.40 7.90 2g51A1 ALA 167 HA 0.01 -0.00 0.47 -0.75 4.34 4.07 2g51A1 ALA 167 HB3 -0.02 0.02 0.12 -0.04 1.41 1.49 2g51A1 GLN 168 H -0.02 0.26 -0.24 -0.55 8.47 7.93 2g51A1 GLN 168 HA -0.27 0.08 0.48 -0.75 4.36 3.90 2g51A1 GLN 168 HB2 -0.11 0.05 0.19 -0.04 2.15 2.24 2g51A1 GLN 168 HB3 -0.63 0.05 0.11 -0.04 2.02 1.50 2g51A1 GLN 168 HG2 -0.31 0.08 0.03 -0.04 2.40 2.16 2g51A1 GLN 168 HG3 -0.12 0.14 0.02 -0.04 2.39 2.39 2g51A1 GLN 168 HE21 -0.08 -0.10 -0.25 -0.04 6.97 6.50 2g51A1 GLN 168 HE22 -0.13 0.03 -0.11 -0.04 7.69 7.44 2g51A1 TYR 169 H 0.16 0.38 -0.03 -0.55 8.29 8.25 2g51A1 TYR 169 HA 0.19 0.17 0.57 -0.75 4.56 4.73 2g51A1 TYR 169 HB2 0.12 0.11 -0.00 -0.04 3.06 3.24 2g51A1 TYR 169 HB3 0.30 -0.08 -0.03 -0.04 2.98 3.12 2g51A1 TYR 169 HD2 0.16 0.06 -0.01 -0.04 7.15 7.32 2g51A1 TYR 169 HE2 0.02 -0.09 -0.04 -0.04 6.85 6.70 2g51A1 GLY 170 H 0.14 0.38 -0.08 -0.55 8.43 8.32 2g51A1 GLY 170 HA2 0.08 0.07 0.38 -0.51 4.01 4.04 2g51A1 GLY 170 HA3 0.11 0.09 0.76 -0.51 4.01 4.47 2g51A1 THR 171 H 0.06 0.15 0.15 -0.55 8.28 8.09 2g51A1 THR 171 HA 0.06 0.11 0.38 -0.75 4.39 4.18 2g51A1 THR 171 HB 0.04 -0.04 0.16 -0.04 4.32 4.43 2g51A1 THR 171 HG23 0.03 0.01 -0.09 -0.04 1.22 1.14 2g51A1 SER 172 H 0.05 0.07 -0.04 -0.55 8.46 7.99 2g51A1 SER 172 HA 0.03 0.10 0.30 -0.75 4.49 4.17 2g51A1 SER 172 HB2 0.02 0.01 0.00 -0.04 3.95 3.95 2g51A1 SER 172 HB3 0.01 0.03 -0.01 -0.04 3.93 3.92 2g51A1 ALA 173 H 0.10 0.08 -0.59 -0.55 8.40 7.44 2g51A1 ALA 173 HA 0.04 0.00 0.21 -0.75 4.34 3.84 2g51A1 ALA 173 HB3 0.26 0.04 -0.14 -0.04 1.41 1.53 2g51A1 ILE 174 H 0.12 0.34 -0.47 -0.55 8.25 7.70 2g51A1 ILE 174 HA 0.18 0.07 0.73 -0.75 4.18 4.40 2g51A1 ILE 174 HB 0.10 0.03 0.04 -0.04 1.89 2.02 2g51A1 ILE 174 HG12 0.20 0.09 -0.25 -0.04 1.49 1.49 2g51A1 ILE 174 HG13 0.12 -0.10 -0.45 -0.04 1.21 0.75 2g51A1 ILE 174 HG23 0.05 -0.01 -0.16 -0.04 0.93 0.77 2g51A1 ILE 174 HD13 -0.09 0.03 -0.28 -0.04 0.88 0.50 2g51A1 THR 175 H 0.10 0.08 0.07 -0.55 8.28 7.99 2g51A1 THR 175 HA 0.05 0.23 0.62 -0.75 4.39 4.54 2g51A1 THR 175 HB 0.03 -0.02 0.14 -0.04 4.32 4.43 2g51A1 THR 175 HG23 0.03 0.07 -0.08 -0.04 1.22 1.19 2g51A1 ASN 176 H 0.04 0.18 0.17 -0.55 8.53 8.38 2g51A1 ASN 176 HA 0.06 0.18 0.62 -0.75 4.76 4.87 2g51A1 ASN 176 HB2 0.03 -0.01 0.13 -0.04 2.88 2.99 2g51A1 ASN 176 HB3 0.04 0.04 0.18 -0.04 2.79 3.00 2g51A1 ASN 176 HD21 0.03 0.01 0.04 -0.04 7.03 7.06 2g51A1 ASN 176 HD22 0.03 0.01 0.05 -0.04 7.74 7.79 2g51A1 GLN 177 H 0.05 -0.01 -0.37 -0.55 8.47 7.59 2g51A1 GLN 177 HA 0.06 0.23 0.91 -0.75 4.36 4.81 2g51A1 GLN 177 HB2 -0.00 -0.07 0.08 -0.04 2.15 2.12 2g51A1 GLN 177 HB3 -0.01 -0.02 0.18 -0.04 2.02 2.12 2g51A1 GLN 177 HG2 -0.06 0.03 -0.02 -0.04 2.40 2.31 2g51A1 GLN 177 HG3 0.02 0.13 -0.15 -0.04 2.39 2.35 2g51A1 GLN 177 HE21 -0.00 0.04 0.01 -0.04 6.97 6.98 2g51A1 GLN 177 HE22 -0.03 -0.04 -0.00 -0.04 7.69 7.59 2g51A1 MET 178 H 0.09 0.46 -0.21 -0.55 8.47 8.26 2g51A1 MET 178 HA 0.06 0.30 1.03 -0.75 4.52 5.16 2g51A1 MET 178 HB2 0.08 0.03 0.07 -0.04 2.15 2.30 2g51A1 MET 178 HB3 0.00 0.04 0.05 -0.04 2.03 2.08 2g51A1 MET 178 HG2 0.19 0.07 -0.05 -0.04 2.63 2.79 2g51A1 MET 178 HG3 0.11 -0.21 -0.21 -0.04 2.56 2.21 2g51A1 MET 178 HE3 0.09 0.04 -0.15 -0.04 2.10 2.05 2g51A1 PHE 179 H -0.19 0.55 0.31 -0.55 8.34 8.46 2g51A1 PHE 179 HA 0.03 0.13 0.47 -0.75 4.62 4.49 2g51A1 PHE 179 HB2 0.02 0.01 0.15 -0.04 3.15 3.29 2g51A1 PHE 179 HB3 0.03 0.04 0.03 -0.04 3.06 3.11 2g51A1 PHE 179 HD2 0.02 0.06 -0.24 -0.04 7.28 7.08 2g51A1 PHE 179 HE2 -0.12 0.08 -0.27 -0.04 7.38 7.03 2g51A1 PHE 179 HZ -0.18 -0.04 -0.36 -0.04 7.32 6.70 2g51A1 CYS 180 H 0.23 0.26 0.18 -0.55 8.50 8.63 2g51A1 CYS 180 HA -0.01 0.40 1.12 -0.75 4.58 5.34 2g51A1 CYS 180 HB2 0.06 0.02 -0.05 -0.04 2.97 2.96 2g51A1 CYS 180 HB3 0.01 0.01 -0.02 -0.04 2.97 2.93 2g51A1 ALA 181 H 0.14 0.70 0.31 -0.55 8.40 9.00 2g51A1 ALA 181 HA 0.09 0.11 0.79 -0.75 4.34 4.58 2g51A1 ALA 181 HB3 0.07 0.01 -0.25 -0.04 1.41 1.19 2g51A1 GLY 182 H 0.05 0.73 0.22 -0.55 8.43 8.88 2g51A1 GLY 182 HA2 0.05 0.10 0.33 -0.51 4.01 3.98 2g51A1 GLY 182 HA3 0.05 0.07 0.62 -0.51 4.01 4.24 2g51A1 VAL 183 H 0.02 0.25 0.15 -0.55 8.24 8.11 2g51A1 VAL 183 HA 0.01 0.19 0.91 -0.75 4.13 4.49 2g51A1 VAL 183 HB 0.01 -0.07 0.11 -0.04 2.12 2.13 2g51A1 VAL 183 HG13 0.01 0.02 -0.03 -0.04 0.97 0.93 2g51A1 VAL 183 HG23 0.01 -0.00 -0.01 -0.04 0.95 0.91 2g51A1 SER 184 H -0.00 0.20 0.16 -0.55 8.46 8.27 2g51A1 SER 184 HA -0.02 0.02 0.36 -0.75 4.49 4.09 2g51A1 SER 184 HB2 -0.02 0.06 0.04 -0.04 3.95 3.98 2g51A1 SER 184 HB3 -0.02 0.01 0.12 -0.04 3.93 4.01 2g51A1 SER 185 H -0.00 0.02 -0.24 -0.55 8.46 7.70 2g51A1 SER 185 HA -0.00 0.06 0.38 -0.75 4.49 4.17 2g51A1 SER 185 HB2 0.00 0.03 0.07 -0.04 3.95 4.01 2g51A1 SER 185 HB3 -0.00 -0.09 0.08 -0.04 3.93 3.88 2g51A1 GLY 186 H 0.01 0.29 -0.53 -0.55 8.43 7.65 2g51A1 GLY 186 HA2 0.02 0.00 0.01 -0.51 4.01 3.53 2g51A1 GLY 186 HA3 0.02 0.23 0.40 -0.51 4.01 4.16 2g51A1 GLY 187 H 0.02 0.53 0.19 -0.55 8.43 8.62 2g51A1 GLY 187 HA2 0.01 0.02 0.30 -0.51 4.01 3.83 2g51A1 GLY 187 HA3 0.01 0.14 0.53 -0.51 4.01 4.18 2g51A1 LYS 188 H 0.02 0.10 -0.32 -0.55 8.42 7.67 2g51A1 LYS 188 HA 0.01 0.46 0.64 -0.75 4.32 4.68 2g51A1 LYS 188 HB2 0.02 -0.15 -0.01 -0.04 1.87 1.69 2g51A1 LYS 188 HB3 0.02 0.01 -0.10 -0.04 1.79 1.67 2g51A1 LYS 188 HG2 0.01 0.21 0.04 -0.04 1.46 1.67 2g51A1 LYS 188 HG3 0.01 -0.07 -0.42 -0.04 1.46 0.94 2g51A1 LYS 188 HD2 0.01 -0.10 -0.02 -0.04 1.69 1.54 2g51A1 LYS 188 HD3 0.01 0.06 0.01 -0.04 1.68 1.73 2g51A1 LYS 188 HE2 0.01 0.14 0.04 -0.04 2.99 3.14 2g51A1 LYS 188 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.88 2g51A1 ASP 189 H 0.02 0.70 0.15 -0.55 8.40 8.72 2g51A1 ASP 189 HA 0.05 0.01 0.43 -0.75 4.63 4.37 2g51A1 ASP 189 HB2 0.02 0.02 -0.44 -0.04 2.71 2.27 2g51A1 ASP 189 HB3 0.01 0.03 -0.17 -0.04 2.70 2.52 2g51A1 SER 190 H 0.06 0.08 0.07 -0.55 8.46 8.13 2g51A1 SER 190 HA 0.01 0.21 0.59 -0.75 4.49 4.55 2g51A1 SER 190 HB2 -0.00 0.03 -0.04 -0.04 3.95 3.90 2g51A1 SER 190 HB3 0.08 0.04 -0.04 -0.04 3.93 3.98 2g51A1 CYS 191 H -0.01 0.22 -0.01 -0.55 8.50 8.15 2g51A1 CYS 191 HA -0.02 0.14 0.51 -0.75 4.58 4.45 2g51A1 CYS 191 HB2 -0.00 -0.01 -0.57 -0.04 2.97 2.35 2g51A1 CYS 191 HB3 -0.00 0.33 -0.16 -0.04 2.97 3.10 2g51A1 GLN 192 H -0.01 0.10 0.08 -0.55 8.47 8.09 2g51A1 GLN 192 HA -0.05 0.03 0.55 -0.75 4.36 4.14 2g51A1 GLN 192 HB2 -0.02 -0.02 0.18 -0.04 2.15 2.25 2g51A1 GLN 192 HB3 -0.05 0.13 0.05 -0.04 2.02 2.11 2g51A1 GLN 192 HG2 -0.03 0.04 0.06 -0.04 2.40 2.43 2g51A1 GLN 192 HG3 -0.06 0.05 0.07 -0.04 2.39 2.42 2g51A1 GLN 192 HE21 -0.01 0.07 -0.09 -0.04 6.97 6.90 2g51A1 GLN 192 HE22 -0.03 0.05 -0.04 -0.04 7.69 7.63 2g51A1 GLY 193 H -0.11 0.16 0.23 -0.55 8.43 8.17 2g51A1 GLY 193 HA2 -0.08 0.31 0.26 -0.51 4.01 4.00 2g51A1 GLY 193 HA3 0.02 0.14 0.58 -0.51 4.01 4.24 2g51A1 ASP 194 H -0.01 0.45 -0.22 -0.55 8.40 8.07 2g51A1 ASP 194 HA 0.06 0.09 0.75 -0.75 4.63 4.78 2g51A1 ASP 194 HB2 -0.00 0.11 0.05 -0.04 2.71 2.82 2g51A1 ASP 194 HB3 0.01 0.00 0.01 -0.04 2.70 2.68 2g51A1 SER 195 H -0.03 0.01 -0.01 -0.55 8.46 7.89 2g51A1 SER 195 HA 0.02 0.02 0.29 -0.75 4.49 4.06 2g51A1 SER 195 HB2 -0.08 0.04 0.15 -0.04 3.95 4.02 2g51A1 SER 195 HB3 -0.19 0.01 0.06 -0.04 3.93 3.77 2g51A1 GLY 196 H -0.01 0.72 0.33 -0.55 8.43 8.93 2g51A1 GLY 196 HA2 -0.01 -0.09 0.45 -0.51 4.01 3.84 2g51A1 GLY 196 HA3 -0.02 0.19 0.66 -0.51 4.01 4.33 2g51A1 GLY 197 H 0.05 0.42 -0.39 -0.55 8.43 7.96 2g51A1 GLY 197 HA2 0.10 0.05 0.33 -0.51 4.01 3.98 2g51A1 GLY 197 HA3 0.06 0.18 0.41 -0.51 4.01 4.15 2g51A1 PRO 198 HA 0.11 0.19 0.51 -0.51 4.44 4.74 2g51A1 PRO 198 HB2 0.15 -0.01 -0.03 -0.04 2.28 2.34 2g51A1 PRO 198 HB3 0.39 0.02 0.08 -0.04 2.02 2.47 2g51A1 PRO 198 HG2 -0.37 -0.02 0.17 -0.04 2.03 1.78 2g51A1 PRO 198 HG3 -0.03 0.03 0.14 -0.04 2.03 2.13 2g51A1 PRO 198 HD2 -0.08 0.23 0.31 -0.04 3.68 4.10 2g51A1 PRO 198 HD3 0.08 0.25 0.29 -0.04 3.65 4.23 2g51A1 ILE 199 H 0.09 0.51 0.25 -0.55 8.25 8.55 2g51A1 ILE 199 HA -0.03 0.35 0.65 -0.75 4.18 4.39 2g51A1 ILE 199 HB -0.22 0.00 -0.05 -0.04 1.89 1.59 2g51A1 ILE 199 HG12 -0.05 -0.04 -0.36 -0.04 1.49 1.00 2g51A1 ILE 199 HG13 -0.12 0.10 -0.33 -0.04 1.21 0.82 2g51A1 ILE 199 HG23 -0.05 -0.03 -0.28 -0.04 0.93 0.53 2g51A1 ILE 199 HD13 -0.57 -0.02 -0.27 -0.04 0.88 -0.01 2g51A1 VAL 200 H 0.05 0.77 0.28 -0.55 8.24 8.79 2g51A1 VAL 200 HA 0.07 0.07 0.92 -0.75 4.13 4.44 2g51A1 VAL 200 HB 0.16 -0.10 -0.10 -0.04 2.12 2.03 2g51A1 VAL 200 HG13 0.34 -0.01 -0.32 -0.04 0.97 0.94 2g51A1 VAL 200 HG23 0.26 0.09 -0.01 -0.04 0.95 1.25 2g51A1 ASP 201 H 0.01 0.48 0.25 -0.55 8.40 8.59 2g51A1 ASP 201 HA -0.03 0.21 0.76 -0.75 4.63 4.82 2g51A1 ASP 201 HB2 -0.04 -0.03 0.20 -0.04 2.71 2.80 2g51A1 ASP 201 HB3 -0.06 0.04 0.10 -0.04 2.70 2.73 2g51A1 SER 202 H -0.01 0.16 0.19 -0.55 8.46 8.26 2g51A1 SER 202 HA 0.01 0.17 0.49 -0.75 4.49 4.40 2g51A1 SER 202 HB2 -0.00 0.04 0.12 -0.04 3.95 4.06 2g51A1 SER 202 HB3 -0.01 0.07 0.19 -0.04 3.93 4.14 2g51A1 SER 203 H 0.01 -0.07 -0.51 -0.55 8.46 7.35 2g51A1 SER 203 HA 0.00 0.24 0.71 -0.75 4.49 4.69 2g51A1 SER 203 HB2 0.00 -0.11 -0.04 -0.04 3.95 3.77 2g51A1 SER 203 HB3 0.00 0.08 0.09 -0.04 3.93 4.06 2g51A1 ASN 204 H 0.04 0.43 -0.25 -0.55 8.53 8.20 2g51A1 ASN 204 HA 0.14 0.08 0.24 -0.75 4.76 4.46 2g51A1 ASN 204 HB2 0.05 0.23 0.08 -0.04 2.88 3.20 2g51A1 ASN 204 HB3 0.16 -0.03 0.24 -0.04 2.79 3.12 2g51A1 ASN 204 HD21 -0.11 -0.01 -0.04 -0.04 7.03 6.82 2g51A1 ASN 204 HD22 -0.03 -0.01 -0.08 -0.04 7.74 7.58 2g51A1 THR 205 H 0.03 -0.11 -0.31 -0.55 8.28 7.34 2g51A1 THR 205 HA -0.01 0.25 0.68 -0.75 4.39 4.55 2g51A1 THR 205 HB -0.01 -0.17 -0.03 -0.04 4.32 4.07 2g51A1 THR 205 HG23 -0.03 0.02 -0.47 -0.04 1.22 0.70 2g51A1 LEU 206 H -0.09 0.73 0.32 -0.55 8.37 8.78 2g51A1 LEU 206 HA 0.03 0.09 0.50 -0.75 4.35 4.21 2g51A1 LEU 206 HB2 -0.31 0.05 0.13 -0.04 1.64 1.48 2g51A1 LEU 206 HB3 -0.11 -0.06 0.16 -0.04 1.64 1.59 2g51A1 LEU 206 HG 0.03 -0.10 -0.15 -0.04 1.64 1.38 2g51A1 LEU 206 HD13 0.10 0.05 0.03 -0.04 0.93 1.08 2g51A1 LEU 206 HD23 -0.07 0.00 -0.08 -0.04 0.89 0.70 2g51A1 ILE 207 H 0.04 0.61 0.54 -0.55 8.25 8.89 2g51A1 ILE 207 HA -0.01 0.06 0.96 -0.75 4.18 4.43 2g51A1 ILE 207 HB -0.31 -0.06 0.04 -0.04 1.89 1.52 2g51A1 ILE 207 HG12 -0.02 -0.02 -0.26 -0.04 1.49 1.14 2g51A1 ILE 207 HG13 0.08 0.08 -0.29 -0.04 1.21 1.04 2g51A1 ILE 207 HG23 -0.10 0.00 -0.13 -0.04 0.93 0.67 2g51A1 ILE 207 HD13 -0.30 -0.02 -0.23 -0.04 0.88 0.30 2g51A1 GLY 208 H 0.13 0.43 0.27 -0.55 8.43 8.71 2g51A1 GLY 208 HA2 0.23 0.10 0.67 -0.51 4.01 4.50 2g51A1 GLY 208 HA3 0.37 0.03 0.23 -0.51 4.01 4.13 2g51A1 ALA 209 H 0.15 0.42 0.24 -0.55 8.40 8.67 2g51A1 ALA 209 HA 0.13 0.39 0.84 -0.75 4.34 4.94 2g51A1 ALA 209 HB3 0.08 -0.01 -0.09 -0.04 1.41 1.34 2g51A1 VAL 210 H 0.12 0.79 0.10 -0.55 8.24 8.71 2g51A1 VAL 210 HA -0.07 -0.00 0.34 -0.75 4.13 3.65 2g51A1 VAL 210 HB 0.03 0.02 0.03 -0.04 2.12 2.16 2g51A1 VAL 210 HG13 -0.08 -0.02 -0.30 -0.04 0.97 0.53 2g51A1 VAL 210 HG23 0.17 0.05 -0.13 -0.04 0.95 1.00 2g51A1 SER 211 H -0.37 0.32 0.40 -0.55 8.46 8.26 2g51A1 SER 211 HA 0.19 0.12 1.16 -0.75 4.49 5.21 2g51A1 SER 211 HB2 0.07 -0.10 0.08 -0.04 3.95 3.96 2g51A1 SER 211 HB3 -0.04 0.10 0.01 -0.04 3.93 3.96 2g51A1 TRP 212 H -0.35 0.58 0.39 -0.55 7.97 8.04 2g51A1 TRP 212 HA -0.16 0.10 0.53 -0.75 4.62 4.34 2g51A1 TRP 212 HB2 -0.16 -0.01 0.18 -0.04 3.23 3.19 2g51A1 TRP 212 HB3 -0.18 0.12 -0.14 -0.04 3.23 2.99 2g51A1 TRP 212 HD1 -0.12 -0.05 -0.13 -0.04 7.22 6.88 2g51A1 TRP 212 HE1 -0.15 -0.00 -0.07 -0.04 10.20 9.94 2g51A1 TRP 212 HE3 -0.15 0.02 -0.11 -0.04 7.59 7.31 2g51A1 TRP 212 HZ2 -0.23 0.18 -0.07 -0.04 7.44 7.27 2g51A1 TRP 212 HZ3 -0.12 0.01 -0.10 -0.04 7.13 6.89 2g51A1 TRP 212 HH2 -0.31 0.02 -0.11 -0.04 7.19 6.75 2g51A1 GLY 213 H 0.23 0.35 0.26 -0.55 8.43 8.72 2g51A1 GLY 213 HA2 -0.49 0.04 0.26 -0.51 4.01 3.31 2g51A1 GLY 213 HA3 -0.17 0.16 0.54 -0.51 4.01 4.03 2g51A1 ASN 214 H 0.33 0.22 0.04 -0.55 8.53 8.58 2g51A1 ASN 214 HA 0.07 0.03 0.69 -0.75 4.76 4.81 2g51A1 ASN 214 HB2 0.13 0.01 0.08 -0.04 2.88 3.05 2g51A1 ASN 214 HB3 -0.32 0.03 0.15 -0.04 2.79 2.61 2g51A1 ASN 214 HD21 -0.73 -0.01 -0.03 -0.04 7.03 6.21 2g51A1 ASN 214 HD22 -2.56 0.06 -0.01 -0.04 7.74 5.19 2g51A1 GLY 215 H 0.01 0.15 0.16 -0.55 8.43 8.21 2g51A1 GLY 215 HA2 -0.01 -0.01 0.29 -0.51 4.01 3.77 2g51A1 GLY 215 HA3 -0.03 0.06 0.51 -0.51 4.01 4.04 2g51A1 CYS 216 H -0.00 0.20 0.13 -0.55 8.50 8.27 2g51A1 CYS 216 HA -0.00 0.23 0.73 -0.75 4.58 4.78 2g51A1 CYS 216 HB2 0.00 -0.09 -0.10 -0.04 2.97 2.74 2g51A1 CYS 216 HB3 -0.00 0.18 -0.16 -0.04 2.97 2.94 2g51A1 ALA 217 H 0.02 0.24 0.00 -0.55 8.40 8.11 2g51A1 ALA 217 HA 0.02 0.08 0.16 -0.75 4.34 3.85 2g51A1 ALA 217 HB3 0.01 0.01 -0.22 -0.04 1.41 1.17 2g51A1 ARG 218 H 0.05 0.10 -0.36 -0.55 8.46 7.69 2g51A1 ARG 218 HA 0.04 0.14 0.60 -0.75 4.34 4.37 2g51A1 ARG 218 HB2 0.15 0.03 -0.05 -0.04 1.90 1.98 2g51A1 ARG 218 HB3 0.11 0.09 -0.02 -0.04 1.80 1.95 2g51A1 ARG 218 HG2 0.01 -0.01 -0.05 -0.04 1.67 1.58 2g51A1 ARG 218 HG3 0.01 -0.09 -0.10 -0.04 1.67 1.44 2g51A1 ARG 218 HD2 -0.17 0.12 -0.10 -0.04 3.22 3.04 2g51A1 ARG 218 HD3 -0.05 0.01 -0.05 -0.04 3.22 3.09 2g51A1 PRO 219 HA 0.01 0.09 0.18 -0.51 4.44 4.20 2g51A1 PRO 219 HB2 0.02 -0.05 0.02 -0.04 2.28 2.23 2g51A1 PRO 219 HB3 0.00 0.06 0.07 -0.04 2.02 2.12 2g51A1 PRO 219 HG2 0.02 -0.04 0.09 -0.04 2.03 2.07 2g51A1 PRO 219 HG3 0.02 0.31 0.12 -0.04 2.03 2.44 2g51A1 PRO 219 HD2 0.05 0.04 0.20 -0.04 3.68 3.93 2g51A1 PRO 219 HD3 0.03 0.17 0.30 -0.04 3.65 4.11 2g51A1 ASN 220 H -0.04 0.23 0.19 -0.55 8.53 8.35 2g51A1 ASN 220 HA -0.15 -0.10 0.27 -0.75 4.76 4.03 2g51A1 ASN 220 HB2 -0.25 0.18 -0.12 -0.04 2.88 2.64 2g51A1 ASN 220 HB3 -0.30 -0.04 0.13 -0.04 2.79 2.54 2g51A1 ASN 220 HD21 -0.05 -0.03 -0.08 -0.04 7.03 6.83 2g51A1 ASN 220 HD22 -0.07 0.06 -0.17 -0.04 7.74 7.52 2g51A1 TYR 221 H 0.02 0.43 -0.52 -0.55 8.29 7.67 2g51A1 TYR 221 HA -0.25 0.06 0.57 -0.75 4.56 4.18 2g51A1 TYR 221 HB2 -0.06 0.02 0.02 -0.04 3.06 3.00 2g51A1 TYR 221 HB3 -0.08 -0.11 0.03 -0.04 2.98 2.78 2g51A1 TYR 221 HD2 -0.54 0.01 -0.12 -0.04 7.15 6.45 2g51A1 TYR 221 HE2 -0.17 0.03 -0.01 -0.04 6.85 6.67 2g51A1 SER 222 H 0.09 0.09 -0.09 -0.55 8.46 8.00 2g51A1 SER 222 HA 0.05 0.03 0.24 -0.75 4.49 4.05 2g51A1 SER 222 HB2 0.09 -0.02 -0.10 -0.04 3.95 3.88 2g51A1 SER 222 HB3 0.04 0.01 -0.06 -0.04 3.93 3.89 2g51A1 GLY 223 H 0.03 0.41 0.37 -0.55 8.43 8.69 2g51A1 GLY 223 HA2 -0.26 0.13 0.84 -0.51 4.01 4.21 2g51A1 GLY 223 HA3 -0.14 -0.04 0.40 -0.51 4.01 3.72 2g51A1 VAL 224 H -0.77 0.69 0.40 -0.55 8.24 8.01 2g51A1 VAL 224 HA -0.51 0.20 0.98 -0.75 4.13 4.05 2g51A1 VAL 224 HB -2.19 -0.06 0.07 -0.04 2.12 -0.10 2g51A1 VAL 224 HG13 -0.37 0.00 -0.06 -0.04 0.97 0.51 2g51A1 VAL 224 HG23 -1.56 0.02 -0.15 -0.04 0.95 -0.78 2g51A1 TYR 225 H -0.39 0.77 0.37 -0.55 8.29 8.49 2g51A1 TYR 225 HA -0.24 0.12 0.94 -0.75 4.56 4.63 2g51A1 TYR 225 HB2 -1.75 -0.03 -0.08 -0.04 3.06 1.16 2g51A1 TYR 225 HB3 -0.47 0.02 -0.14 -0.04 2.98 2.35 2g51A1 TYR 225 HD2 -0.33 0.08 -0.41 -0.04 7.15 6.45 2g51A1 TYR 225 HE2 -0.10 0.05 -0.17 -0.04 6.85 6.59 2g51A1 ALA 226 H 0.03 0.47 0.24 -0.55 8.40 8.59 2g51A1 ALA 226 HA 0.07 0.17 0.85 -0.75 4.34 4.68 2g51A1 ALA 226 HB3 0.08 -0.01 0.08 -0.04 1.41 1.52 2g51A1 SER 227 H 0.14 0.59 0.20 -0.55 8.46 8.84 2g51A1 SER 227 HA 0.43 0.20 0.60 -0.75 4.49 4.96 2g51A1 SER 227 HB2 0.32 0.06 -0.25 -0.04 3.95 4.04 2g51A1 SER 227 HB3 0.15 -0.03 0.07 -0.04 3.93 4.07 2g51A1 VAL 228 H 0.19 0.67 0.19 -0.55 8.24 8.73 2g51A1 VAL 228 HA 0.11 0.06 0.34 -0.75 4.13 3.89 2g51A1 VAL 228 HB 0.06 0.02 -0.15 -0.04 2.12 2.02 2g51A1 VAL 228 HG13 0.03 0.02 -0.16 -0.04 0.97 0.82 2g51A1 VAL 228 HG23 0.08 0.00 -0.25 -0.04 0.95 0.74 2g51A1 GLY 229 H 0.04 0.16 -0.06 -0.55 8.43 8.03 2g51A1 GLY 229 HA2 0.02 0.22 0.25 -0.51 4.01 3.98 2g51A1 GLY 229 HA3 0.01 0.18 0.24 -0.51 4.01 3.93 2g51A1 ALA 230 H 0.07 0.07 -0.27 -0.55 8.40 7.73 2g51A1 ALA 230 HA 0.05 0.07 0.58 -0.75 4.34 4.29 2g51A1 ALA 230 HB3 0.07 0.02 0.14 -0.04 1.41 1.59 2g51A1 LEU 231 H 0.10 0.41 -0.48 -0.55 8.37 7.84 2g51A1 LEU 231 HA 0.16 0.10 0.77 -0.75 4.35 4.62 2g51A1 LEU 231 HB2 0.15 0.15 0.03 -0.04 1.64 1.92 2g51A1 LEU 231 HB3 0.25 -0.12 0.13 -0.04 1.64 1.87 2g51A1 LEU 231 HG 0.05 0.05 -0.13 -0.04 1.64 1.57 2g51A1 LEU 231 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.78 2g51A1 LEU 231 HD23 -0.21 0.01 -0.03 -0.04 0.89 0.62 2g51A1 ARG 232 H 0.09 0.30 -0.18 -0.55 8.46 8.11 2g51A1 ARG 232 HA 0.08 0.07 0.39 -0.75 4.34 4.13 2g51A1 ARG 232 HB2 0.04 -0.02 0.14 -0.04 1.90 2.03 2g51A1 ARG 232 HB3 0.03 -0.04 -0.01 -0.04 1.80 1.74 2g51A1 ARG 232 HG2 0.04 0.29 0.01 -0.04 1.67 1.97 2g51A1 ARG 232 HG3 0.02 -0.08 -0.10 -0.04 1.67 1.47 2g51A1 ARG 232 HD2 0.03 -0.08 -0.03 -0.04 3.22 3.09 2g51A1 ARG 232 HD3 0.01 0.13 -0.15 -0.04 3.22 3.17 2g51A1 SER 233 H 0.10 0.15 -0.16 -0.55 8.46 8.01 2g51A1 SER 233 HA 0.03 0.09 0.33 -0.75 4.49 4.18 2g51A1 SER 233 HB2 0.11 -0.01 0.02 -0.04 3.95 4.03 2g51A1 SER 233 HB3 0.05 0.05 -0.01 -0.04 3.93 3.97 2g51A1 PHE 234 H 0.29 0.10 -0.22 -0.55 8.34 7.96 2g51A1 PHE 234 HA 0.08 0.08 0.50 -0.75 4.62 4.53 2g51A1 PHE 234 HB2 -0.02 -0.03 0.09 -0.04 3.15 3.14 2g51A1 PHE 234 HB3 0.20 0.12 0.12 -0.04 3.06 3.45 2g51A1 PHE 234 HD2 0.14 0.01 -0.06 -0.04 7.28 7.33 2g51A1 PHE 234 HE2 -0.14 0.01 -0.28 -0.04 7.38 6.92 2g51A1 PHE 234 HZ -0.10 0.14 -0.29 -0.04 7.32 7.03 2g51A1 ILE 235 H 0.19 0.42 -0.08 -0.55 8.25 8.22 2g51A1 ILE 235 HA -0.23 0.02 0.38 -0.75 4.18 3.60 2g51A1 ILE 235 HB 0.03 0.05 0.09 -0.04 1.89 2.02 2g51A1 ILE 235 HG12 0.11 -0.03 -0.06 -0.04 1.49 1.47 2g51A1 ILE 235 HG13 0.23 0.14 0.03 -0.04 1.21 1.57 2g51A1 ILE 235 HG23 -0.03 -0.01 -0.13 -0.04 0.93 0.72 2g51A1 ILE 235 HD13 0.10 -0.01 -0.13 -0.04 0.88 0.80 2g51A1 ASP 236 H -0.02 0.87 -0.05 -0.55 8.40 8.65 2g51A1 ASP 236 HA -0.07 0.01 0.29 -0.75 4.63 4.11 2g51A1 ASP 236 HB2 -0.04 0.01 0.08 -0.04 2.71 2.72 2g51A1 ASP 236 HB3 -0.05 -0.04 0.02 -0.04 2.70 2.60 2g51A1 THR 237 H -0.14 0.52 -0.19 -0.55 8.28 7.92 2g51A1 THR 237 HA -0.24 -0.01 0.46 -0.75 4.39 3.85 2g51A1 THR 237 HB -0.44 0.05 0.15 -0.04 4.32 4.04 2g51A1 THR 237 HG23 -0.68 -0.03 -0.05 -0.04 1.22 0.42 2g51A1 TYR 238 H -0.24 0.40 -0.22 -0.55 8.29 7.68 2g51A1 TYR 238 HA -0.12 0.22 0.82 -0.75 4.56 4.73 2g51A1 TYR 238 HB2 -0.50 0.04 -0.00 -0.04 3.06 2.56 2g51A1 TYR 238 HB3 -0.20 -0.05 0.02 -0.04 2.98 2.71 2g51A1 TYR 238 HD2 -0.37 0.09 -0.02 -0.04 7.15 6.81 2g51A1 TYR 238 HE2 0.10 -0.04 -0.03 -0.04 6.85 6.84 2g51A1 ALA 239 H -0.11 0.56 -0.12 -0.55 8.40 8.19 2g51A1 ALA 239 HA -0.06 0.02 0.25 -0.75 4.34 3.79 2g51A1 ALA 239 HB3 -0.07 -0.01 -0.01 -0.04 1.41 1.28