============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 16 0.840 16.510 -1.352 3.345 -99.200 -91.000 TYR 22 0.840 11.747 6.593 10.566 -99.200 -91.000 TYR 24 0.840 19.950 2.697 3.487 -99.200 -91.000 PHE 25 1.000 10.787 7.119 5.901 -99.200 -91.000 HIS 27 0.900 19.941 9.924 6.759 -99.200 -91.000 HIS 33 0.900 1.769 5.130 5.899 -99.200 -91.000 PHE 44 1.000 12.876 -13.766 -2.907 -99.200 -91.000 PHE 46 1.000 6.588 -8.277 -2.457 -99.200 -91.000 PHE 51 1.000 10.255 8.674 -0.891 -99.200 -91.000 TYR 54 0.840 8.962 15.942 -10.322 -99.200 -91.000 HIS 65 0.900 21.013 0.614 -8.898 -99.200 -91.000 HIS 77 0.900 6.414 1.862 -11.560 -99.200 -91.000 TRP 84 1.040 -8.251 3.406 -5.586 -99.200 -91.000 TRP6 84 1.020 -9.990 4.930 -6.225 -99.200 -91.000 PHE 88 1.000 -13.980 3.749 3.077 -99.200 -91.000 TYR 92 0.840 -15.613 -1.657 5.101 -99.200 -91.000 PHE 118 1.000 -12.157 16.872 14.970 -99.200 -91.000 PHE 124 1.000 -12.626 9.743 -2.174 -99.200 -91.000 TYR 126 0.840 -6.274 6.356 -0.397 -99.200 -91.000 TYR 137 0.840 -14.564 -13.295 -7.709 -99.200 -91.000 TYR 150 0.840 -23.501 6.058 -0.752 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2go9A1 MET 1 HA -0.01 -0.04 0.20 -0.75 4.52 3.92 2go9A1 MET 1 HB2 -0.00 -0.01 0.04 -0.04 2.15 2.13 2go9A1 MET 1 HB3 -0.01 -0.02 0.09 -0.04 2.03 2.05 2go9A1 MET 1 HG2 -0.01 0.02 -0.07 -0.04 2.63 2.54 2go9A1 MET 1 HG3 0.00 -0.01 -0.05 -0.04 2.56 2.46 2go9A1 MET 1 HE3 0.01 0.03 -0.12 -0.04 2.10 1.97 2go9A1 ARG 2 H -0.02 0.26 0.08 -0.55 8.46 8.23 2go9A1 ARG 2 HA -0.03 -0.24 0.44 -0.75 4.34 3.76 2go9A1 ARG 2 HB2 -0.05 -0.10 0.12 -0.04 1.90 1.84 2go9A1 ARG 2 HB3 -0.03 0.11 0.40 -0.04 1.80 2.24 2go9A1 ARG 2 HG2 -0.03 0.09 0.07 -0.04 1.67 1.75 2go9A1 ARG 2 HG3 -0.04 -0.00 -0.19 -0.04 1.67 1.40 2go9A1 ARG 2 HD2 -0.06 -0.08 -0.00 -0.04 3.22 3.03 2go9A1 ARG 2 HD3 -0.05 -0.02 0.03 -0.04 3.22 3.14 2go9A1 GLU 3 H -0.03 0.26 0.12 -0.55 8.60 8.40 2go9A1 GLU 3 HA -0.04 0.12 0.20 -0.75 4.29 3.82 2go9A1 GLU 3 HB2 -0.00 0.08 -0.09 -0.04 2.09 2.03 2go9A1 GLU 3 HB3 0.02 -0.10 -0.17 -0.04 1.99 1.70 2go9A1 GLU 3 HG2 -0.00 -0.08 0.09 -0.04 2.34 2.30 2go9A1 GLU 3 HG3 -0.02 0.22 0.11 -0.04 2.34 2.60 2go9A1 LEU 4 H 0.00 0.24 -0.06 -0.55 8.37 8.01 2go9A1 LEU 4 HA -0.00 0.13 0.86 -0.75 4.35 4.59 2go9A1 LEU 4 HB2 -0.01 0.02 0.22 -0.04 1.64 1.83 2go9A1 LEU 4 HB3 0.02 0.03 0.19 -0.04 1.64 1.85 2go9A1 LEU 4 HG -0.10 -0.06 -0.20 -0.04 1.64 1.23 2go9A1 LEU 4 HD13 -0.24 0.01 0.02 -0.04 0.93 0.68 2go9A1 LEU 4 HD23 -0.15 0.03 0.02 -0.04 0.89 0.75 2go9A1 THR 5 H 0.02 0.26 -0.17 -0.55 8.28 7.84 2go9A1 THR 5 HA 0.06 0.27 0.47 -0.75 4.39 4.43 2go9A1 THR 5 HB 0.05 -0.18 -0.07 -0.04 4.32 4.08 2go9A1 THR 5 HG23 0.05 0.00 -0.36 -0.04 1.22 0.87 2go9A1 THR 6 H 0.05 0.14 -0.23 -0.55 8.28 7.69 2go9A1 THR 6 HA 0.13 0.22 1.05 -0.75 4.39 5.04 2go9A1 THR 6 HB 0.05 -0.00 -0.06 -0.04 4.32 4.27 2go9A1 THR 6 HG23 0.05 0.04 -0.11 -0.04 1.22 1.16 2go9A1 VAL 7 H 0.15 0.64 0.37 -0.55 8.24 8.85 2go9A1 VAL 7 HA 0.06 0.06 0.99 -0.75 4.13 4.49 2go9A1 VAL 7 HB 0.03 0.19 0.02 -0.04 2.12 2.31 2go9A1 VAL 7 HG13 -0.06 -0.02 -0.23 -0.04 0.97 0.62 2go9A1 VAL 7 HG23 0.18 -0.01 -0.06 -0.04 0.95 1.03 2go9A1 LEU 8 H 0.02 0.75 0.17 -0.55 8.37 8.77 2go9A1 LEU 8 HA 0.06 0.18 1.02 -0.75 4.35 4.86 2go9A1 LEU 8 HB2 0.02 0.04 0.11 -0.04 1.64 1.77 2go9A1 LEU 8 HB3 0.01 -0.17 -0.17 -0.04 1.64 1.27 2go9A1 LEU 8 HG -0.03 0.08 -0.07 -0.04 1.64 1.58 2go9A1 LEU 8 HD13 0.07 -0.01 -0.31 -0.04 0.93 0.64 2go9A1 LEU 8 HD23 -0.06 -0.02 0.01 -0.04 0.89 0.77 2go9A1 VAL 9 H 0.09 0.56 0.32 -0.55 8.24 8.66 2go9A1 VAL 9 HA 0.03 0.41 1.12 -0.75 4.13 4.94 2go9A1 VAL 9 HB 0.09 -0.09 -0.06 -0.04 2.12 2.03 2go9A1 VAL 9 HG13 -0.02 0.04 -0.12 -0.04 0.97 0.83 2go9A1 VAL 9 HG23 0.11 0.00 -0.23 -0.04 0.95 0.79 2go9A1 LYS 10 H -0.01 0.61 0.39 -0.55 8.42 8.86 2go9A1 LYS 10 HA 0.01 0.21 0.95 -0.75 4.32 4.74 2go9A1 LYS 10 HB2 -0.08 -0.01 -0.01 -0.04 1.87 1.73 2go9A1 LYS 10 HB3 -0.01 0.00 0.13 -0.04 1.79 1.87 2go9A1 LYS 10 HG2 0.20 -0.02 -0.32 -0.04 1.46 1.28 2go9A1 LYS 10 HG3 0.02 0.16 -0.03 -0.04 1.46 1.57 2go9A1 LYS 10 HD2 0.00 -0.00 -0.05 -0.04 1.69 1.61 2go9A1 LYS 10 HD3 0.18 -0.03 -0.06 -0.04 1.68 1.73 2go9A1 LYS 10 HE2 -0.01 0.02 -0.14 -0.04 2.99 2.82 2go9A1 LYS 10 HE3 -0.03 0.01 -0.12 -0.04 2.99 2.81 2go9A1 ASN 11 H -0.25 0.55 0.16 -0.55 8.53 8.44 2go9A1 ASN 11 HA -0.02 -0.03 0.41 -0.75 4.76 4.36 2go9A1 ASN 11 HB2 -0.12 0.05 0.02 -0.04 2.88 2.78 2go9A1 ASN 11 HB3 -0.06 0.05 -0.05 -0.04 2.79 2.68 2go9A1 ASN 11 HD21 -0.08 0.45 -0.30 -0.04 7.03 7.06 2go9A1 ASN 11 HD22 -0.10 -0.09 -0.04 -0.04 7.74 7.47 2go9A1 LEU 12 H -0.07 0.30 -0.22 -0.55 8.37 7.83 2go9A1 LEU 12 HA 0.00 0.08 0.28 -0.75 4.35 3.96 2go9A1 LEU 12 HB2 0.00 -0.09 -0.48 -0.04 1.64 1.03 2go9A1 LEU 12 HB3 0.04 0.02 -0.02 -0.04 1.64 1.64 2go9A1 LEU 12 HG 0.23 0.23 -0.04 -0.04 1.64 2.02 2go9A1 LEU 12 HD13 0.04 -0.02 -0.21 -0.04 0.93 0.71 2go9A1 LEU 12 HD23 0.10 -0.05 -0.28 -0.04 0.89 0.63 2go9A1 PRO 13 HA 0.01 0.15 0.53 -0.51 4.44 4.62 2go9A1 PRO 13 HB2 0.02 -0.25 0.07 -0.04 2.28 2.08 2go9A1 PRO 13 HB3 0.01 0.10 0.10 -0.04 2.02 2.19 2go9A1 PRO 13 HG2 0.04 -0.16 -0.06 -0.04 2.03 1.81 2go9A1 PRO 13 HG3 -0.02 0.31 0.12 -0.04 2.03 2.40 2go9A1 PRO 13 HD2 -0.01 0.06 0.13 -0.04 3.68 3.82 2go9A1 PRO 13 HD3 -0.05 0.18 0.03 -0.04 3.65 3.77 2go9A1 LYS 14 H 0.01 0.19 0.15 -0.55 8.42 8.22 2go9A1 LYS 14 HA 0.02 0.08 0.44 -0.75 4.32 4.10 2go9A1 LYS 14 HB2 0.01 0.01 0.07 -0.04 1.87 1.92 2go9A1 LYS 14 HB3 0.00 0.05 0.15 -0.04 1.79 1.95 2go9A1 LYS 14 HG2 0.01 -0.04 0.11 -0.04 1.46 1.49 2go9A1 LYS 14 HG3 0.01 0.03 -0.16 -0.04 1.46 1.31 2go9A1 LYS 14 HD2 0.00 0.00 -0.00 -0.04 1.69 1.65 2go9A1 LYS 14 HD3 -0.00 0.03 0.04 -0.04 1.68 1.70 2go9A1 LYS 14 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.92 2go9A1 LYS 14 HE3 0.00 0.01 -0.00 -0.04 2.99 2.96 2go9A1 SER 15 H 0.03 0.11 -0.25 -0.55 8.46 7.81 2go9A1 SER 15 HA 0.04 0.04 0.26 -0.75 4.49 4.07 2go9A1 SER 15 HB2 0.04 0.24 -0.09 -0.04 3.95 4.11 2go9A1 SER 15 HB3 0.05 -0.05 -0.05 -0.04 3.93 3.83 2go9A1 TYR 16 H 0.11 0.50 -0.80 -0.55 8.29 7.55 2go9A1 TYR 16 HA -0.05 0.11 0.70 -0.75 4.56 4.56 2go9A1 TYR 16 HB2 -0.08 -0.00 -0.16 -0.04 3.06 2.78 2go9A1 TYR 16 HB3 -0.05 -0.03 0.08 -0.04 2.98 2.94 2go9A1 TYR 16 HD2 -0.16 -0.01 -0.06 -0.04 7.15 6.89 2go9A1 TYR 16 HE2 -0.64 0.01 -0.08 -0.04 6.85 6.10 2go9A1 ASN 17 H 0.00 0.20 -0.20 -0.55 8.53 7.98 2go9A1 ASN 17 HA 0.01 0.14 0.55 -0.75 4.76 4.71 2go9A1 ASN 17 HB2 -0.00 0.16 0.11 -0.04 2.88 3.11 2go9A1 ASN 17 HB3 -0.01 -0.16 -0.04 -0.04 2.79 2.53 2go9A1 ASN 17 HD21 -0.00 -0.07 0.06 -0.04 7.03 6.97 2go9A1 ASN 17 HD22 0.00 0.04 0.05 -0.04 7.74 7.79 2go9A1 GLN 18 H -0.01 0.19 0.11 -0.55 8.47 8.21 2go9A1 GLN 18 HA -0.05 0.08 0.13 -0.75 4.36 3.77 2go9A1 GLN 18 HB2 -0.01 -0.03 0.16 -0.04 2.15 2.23 2go9A1 GLN 18 HB3 -0.01 0.07 -0.01 -0.04 2.02 2.03 2go9A1 GLN 18 HG2 -0.03 0.01 0.01 -0.04 2.40 2.35 2go9A1 GLN 18 HG3 -0.01 0.01 0.08 -0.04 2.39 2.43 2go9A1 GLN 18 HE21 0.00 -0.01 0.06 -0.04 6.97 6.98 2go9A1 GLN 18 HE22 0.01 0.04 0.06 -0.04 7.69 7.75 2go9A1 ASN 19 H -0.01 0.09 -0.13 -0.55 8.53 7.94 2go9A1 ASN 19 HA 0.01 0.07 0.27 -0.75 4.76 4.35 2go9A1 ASN 19 HB2 -0.01 -0.03 0.08 -0.04 2.88 2.87 2go9A1 ASN 19 HB3 -0.01 0.03 -0.01 -0.04 2.79 2.77 2go9A1 ASN 19 HD21 -0.00 0.01 -0.05 -0.04 7.03 6.94 2go9A1 ASN 19 HD22 -0.02 0.02 -0.03 -0.04 7.74 7.67 2go9A1 LYS 20 H -0.05 0.11 -0.23 -0.55 8.42 7.70 2go9A1 LYS 20 HA 0.01 0.03 0.50 -0.75 4.32 4.11 2go9A1 LYS 20 HB2 -0.11 -0.05 0.06 -0.04 1.87 1.74 2go9A1 LYS 20 HB3 -0.24 0.06 0.02 -0.04 1.79 1.59 2go9A1 LYS 20 HG2 0.02 0.08 0.07 -0.04 1.46 1.59 2go9A1 LYS 20 HG3 0.02 -0.06 0.02 -0.04 1.46 1.40 2go9A1 LYS 20 HD2 0.01 0.08 -0.08 -0.04 1.69 1.65 2go9A1 LYS 20 HD3 0.03 -0.01 0.01 -0.04 1.68 1.67 2go9A1 LYS 20 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 2go9A1 LYS 20 HE3 -0.01 -0.10 -0.03 -0.04 2.99 2.81 2go9A1 VAL 21 H -0.30 0.49 -0.28 -0.55 8.24 7.60 2go9A1 VAL 21 HA -0.76 0.07 0.31 -0.75 4.13 3.00 2go9A1 VAL 21 HB -0.21 -0.01 -0.04 -0.04 2.12 1.82 2go9A1 VAL 21 HG13 -0.25 -0.06 -0.35 -0.04 0.97 0.27 2go9A1 VAL 21 HG23 -0.14 0.01 -0.19 -0.04 0.95 0.59 2go9A1 TYR 22 H 0.02 0.63 -0.14 -0.55 8.29 8.26 2go9A1 TYR 22 HA 0.17 -0.04 0.31 -0.75 4.56 4.26 2go9A1 TYR 22 HB2 -0.04 0.01 0.04 -0.04 3.06 3.04 2go9A1 TYR 22 HB3 0.03 0.15 0.10 -0.04 2.98 3.22 2go9A1 TYR 22 HD2 0.01 0.01 -0.24 -0.04 7.15 6.89 2go9A1 TYR 22 HE2 0.04 0.01 -0.05 -0.04 6.85 6.81 2go9A1 LYS 23 H 0.23 0.44 -0.16 -0.55 8.42 8.37 2go9A1 LYS 23 HA 0.12 -0.02 0.36 -0.75 4.32 4.03 2go9A1 LYS 23 HB2 0.28 0.18 0.10 -0.04 1.87 2.39 2go9A1 LYS 23 HB3 0.19 -0.04 0.01 -0.04 1.79 1.91 2go9A1 LYS 23 HG2 0.13 0.15 0.14 -0.04 1.46 1.84 2go9A1 LYS 23 HG3 0.12 -0.06 0.07 -0.04 1.46 1.55 2go9A1 LYS 23 HD2 0.10 -0.01 0.01 -0.04 1.69 1.74 2go9A1 LYS 23 HD3 0.06 -0.05 -0.02 -0.04 1.68 1.63 2go9A1 LYS 23 HE2 0.07 -0.05 -0.02 -0.04 2.99 2.96 2go9A1 LYS 23 HE3 0.12 0.02 -0.00 -0.04 2.99 3.08 2go9A1 TYR 24 H 0.33 0.33 -0.36 -0.55 8.29 8.04 2go9A1 TYR 24 HA 0.17 0.05 0.40 -0.75 4.56 4.43 2go9A1 TYR 24 HB2 0.07 0.06 0.14 -0.04 3.06 3.29 2go9A1 TYR 24 HB3 0.22 -0.01 -0.05 -0.04 2.98 3.10 2go9A1 TYR 24 HD2 0.14 0.05 -0.03 -0.04 7.15 7.28 2go9A1 TYR 24 HE2 0.13 0.01 -0.03 -0.04 6.85 6.92 2go9A1 PHE 25 H 0.38 0.62 0.02 -0.55 8.34 8.81 2go9A1 PHE 25 HA 0.13 0.04 0.18 -0.75 4.62 4.22 2go9A1 PHE 25 HB2 -0.12 -0.06 -0.02 -0.04 3.15 2.91 2go9A1 PHE 25 HB3 -0.05 0.01 -0.00 -0.04 3.06 2.99 2go9A1 PHE 25 HD2 -0.43 0.06 -0.02 -0.04 7.28 6.85 2go9A1 PHE 25 HE2 -1.34 -0.01 -0.13 -0.04 7.38 5.86 2go9A1 PHE 25 HZ -0.61 0.00 -0.10 -0.04 7.32 6.57 2go9A1 LYS 26 H -0.55 0.45 -0.16 -0.55 8.42 7.60 2go9A1 LYS 26 HA -0.80 0.11 0.37 -0.75 4.32 3.24 2go9A1 LYS 26 HB2 -0.40 -0.05 0.06 -0.04 1.87 1.44 2go9A1 LYS 26 HB3 -0.85 -0.07 0.06 -0.04 1.79 0.89 2go9A1 LYS 26 HG2 -0.02 -0.12 -0.06 -0.04 1.46 1.21 2go9A1 LYS 26 HG3 -0.27 0.25 0.05 -0.04 1.46 1.44 2go9A1 LYS 26 HD2 -1.20 0.13 -0.08 -0.04 1.69 0.51 2go9A1 LYS 26 HD3 -0.57 0.00 -0.45 -0.04 1.68 0.62 2go9A1 LYS 26 HE2 -0.14 -0.05 -0.06 -0.04 2.99 2.71 2go9A1 LYS 26 HE3 -0.40 -0.03 -0.06 -0.04 2.99 2.46 2go9A1 HIS 27 H -0.14 0.31 -0.46 -0.55 8.41 7.57 2go9A1 HIS 27 HA -0.08 0.04 0.68 -0.75 4.63 4.52 2go9A1 HIS 27 HB2 -0.12 0.13 0.12 -0.04 3.26 3.35 2go9A1 HIS 27 HB3 -0.10 -0.08 0.08 -0.04 3.20 3.06 2go9A1 HIS 27 HD2 -0.10 0.02 -0.05 -0.04 6.97 6.79 2go9A1 HIS 27 HE1 -0.03 -0.06 -0.03 -0.04 7.75 7.59 2go9A1 CYS 28 H 0.01 0.31 -0.35 -0.55 8.50 7.92 2go9A1 CYS 28 HA 0.09 0.06 0.72 -0.75 4.58 4.70 2go9A1 CYS 28 HB2 0.36 0.06 0.13 -0.04 2.97 3.47 2go9A1 CYS 28 HB3 0.24 -0.14 -0.23 -0.04 2.97 2.80 2go9A1 GLY 29 H 0.02 0.44 0.07 -0.55 8.43 8.40 2go9A1 GLY 29 HA2 0.04 0.10 0.63 -0.51 4.01 4.27 2go9A1 GLY 29 HA3 0.22 -0.06 0.13 -0.51 4.01 3.79 2go9A1 PRO 30 HA -0.14 0.15 0.73 -0.51 4.44 4.67 2go9A1 PRO 30 HB2 -0.04 0.04 -0.03 -0.04 2.28 2.21 2go9A1 PRO 30 HB3 -0.05 0.03 0.11 -0.04 2.02 2.07 2go9A1 PRO 30 HG2 0.02 -0.01 0.04 -0.04 2.03 2.04 2go9A1 PRO 30 HG3 -0.02 0.01 0.04 -0.04 2.03 2.03 2go9A1 PRO 30 HD2 0.07 0.02 0.19 -0.04 3.68 3.92 2go9A1 PRO 30 HD3 -0.01 0.16 0.10 -0.04 3.65 3.86 2go9A1 ILE 31 H -0.15 0.26 0.12 -0.55 8.25 7.93 2go9A1 ILE 31 HA -0.17 0.13 0.83 -0.75 4.18 4.22 2go9A1 ILE 31 HB -0.21 0.02 -0.19 -0.04 1.89 1.47 2go9A1 ILE 31 HG12 -1.26 -0.09 -0.25 -0.04 1.49 -0.14 2go9A1 ILE 31 HG13 -1.26 0.14 -0.26 -0.04 1.21 -0.21 2go9A1 ILE 31 HG23 -0.06 -0.04 -0.45 -0.04 0.93 0.34 2go9A1 ILE 31 HD13 -0.72 -0.03 -0.44 -0.04 0.88 -0.35 2go9A1 ILE 32 H -0.03 0.47 0.27 -0.55 8.25 8.41 2go9A1 ILE 32 HA 0.01 0.12 0.79 -0.75 4.18 4.34 2go9A1 ILE 32 HB 0.02 0.00 0.14 -0.04 1.89 2.02 2go9A1 ILE 32 HG12 -0.00 0.02 -0.04 -0.04 1.49 1.43 2go9A1 ILE 32 HG13 0.00 0.06 -0.12 -0.04 1.21 1.11 2go9A1 ILE 32 HG23 0.02 -0.01 -0.07 -0.04 0.93 0.82 2go9A1 ILE 32 HD13 -0.01 -0.01 -0.02 -0.04 0.88 0.80 2go9A1 HIS 33 H 0.05 0.42 0.25 -0.55 8.41 8.58 2go9A1 HIS 33 HA -0.02 0.24 0.85 -0.75 4.63 4.95 2go9A1 HIS 33 HB2 -0.01 0.08 -0.15 -0.04 3.26 3.13 2go9A1 HIS 33 HB3 -0.02 -0.10 0.00 -0.04 3.20 3.03 2go9A1 HIS 33 HD2 -0.01 -0.08 -0.23 -0.04 6.97 6.61 2go9A1 HIS 33 HE1 0.00 0.01 0.05 -0.04 7.75 7.77 2go9A1 VAL 34 H -1.13 0.36 0.19 -0.55 8.24 7.12 2go9A1 VAL 34 HA -0.39 0.15 0.86 -0.75 4.13 3.99 2go9A1 VAL 34 HB -0.66 0.05 -0.36 -0.04 2.12 1.11 2go9A1 VAL 34 HG13 -0.77 0.00 -0.10 -0.04 0.97 0.07 2go9A1 VAL 34 HG23 -0.99 0.00 -0.08 -0.04 0.95 -0.15 2go9A1 ASP 35 H -0.25 0.64 0.38 -0.55 8.40 8.63 2go9A1 ASP 35 HA -0.14 0.11 0.63 -0.75 4.63 4.49 2go9A1 ASP 35 HB2 -0.02 0.03 -0.19 -0.04 2.71 2.48 2go9A1 ASP 35 HB3 -0.00 -0.07 -0.08 -0.04 2.70 2.51 2go9A1 VAL 36 H -0.01 0.27 0.26 -0.55 8.24 8.21 2go9A1 VAL 36 HA 0.03 0.10 0.98 -0.75 4.13 4.48 2go9A1 VAL 36 HB 0.04 0.16 0.13 -0.04 2.12 2.41 2go9A1 VAL 36 HG13 -0.03 -0.02 -0.11 -0.04 0.97 0.77 2go9A1 VAL 36 HG23 0.01 -0.03 -0.09 -0.04 0.95 0.80 2go9A1 ALA 37 H 0.09 0.81 0.21 -0.55 8.40 8.96 2go9A1 ALA 37 HA 0.08 0.23 0.94 -0.75 4.34 4.83 2go9A1 ALA 37 HB3 0.15 -0.02 -0.07 -0.04 1.41 1.43 2go9A1 ASP 38 H 0.06 0.25 0.12 -0.55 8.40 8.28 2go9A1 ASP 38 HA 0.04 0.12 0.73 -0.75 4.63 4.77 2go9A1 ASP 38 HB2 0.02 0.02 0.09 -0.04 2.71 2.80 2go9A1 ASP 38 HB3 0.03 0.01 0.12 -0.04 2.70 2.82 2go9A1 SER 39 H 0.06 0.33 0.06 -0.55 8.46 8.37 2go9A1 SER 39 HA 0.08 0.11 0.80 -0.75 4.49 4.72 2go9A1 SER 39 HB2 0.15 -0.07 0.10 -0.04 3.95 4.09 2go9A1 SER 39 HB3 0.22 -0.03 -0.01 -0.04 3.93 4.07 2go9A1 LEU 40 H 0.03 0.24 -0.10 -0.55 8.37 8.00 2go9A1 LEU 40 HA -0.00 0.16 0.21 -0.75 4.35 3.96 2go9A1 LEU 40 HB2 0.00 0.04 0.08 -0.04 1.64 1.72 2go9A1 LEU 40 HB3 0.01 -0.01 0.07 -0.04 1.64 1.67 2go9A1 LEU 40 HG 0.02 -0.09 0.01 -0.04 1.64 1.53 2go9A1 LEU 40 HD13 0.00 0.02 -0.20 -0.04 0.93 0.71 2go9A1 LEU 40 HD23 0.01 0.01 0.02 -0.04 0.89 0.88 2go9A1 LYS 41 H 0.03 -0.03 -0.35 -0.55 8.42 7.52 2go9A1 LYS 41 HA 0.01 0.06 0.37 -0.75 4.32 4.00 2go9A1 LYS 41 HB2 0.04 -0.04 -0.05 -0.04 1.87 1.78 2go9A1 LYS 41 HB3 0.03 0.01 0.04 -0.04 1.79 1.82 2go9A1 LYS 41 HG2 0.02 -0.06 -0.00 -0.04 1.46 1.38 2go9A1 LYS 41 HG3 0.03 -0.02 -0.03 -0.04 1.46 1.39 2go9A1 LYS 41 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 2go9A1 LYS 41 HD3 0.01 0.03 -0.03 -0.04 1.68 1.65 2go9A1 LYS 41 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 2go9A1 LYS 41 HE3 0.02 0.00 -0.03 -0.04 2.99 2.93 2go9A1 LYS 42 H 0.01 0.64 -0.35 -0.55 8.42 8.16 2go9A1 LYS 42 HA -0.02 0.08 0.83 -0.75 4.32 4.46 2go9A1 LYS 42 HB2 0.05 0.18 -0.03 -0.04 1.87 2.03 2go9A1 LYS 42 HB3 0.04 -0.13 0.04 -0.04 1.79 1.70 2go9A1 LYS 42 HG2 0.08 -0.11 -0.35 -0.04 1.46 1.04 2go9A1 LYS 42 HG3 0.16 -0.04 -0.07 -0.04 1.46 1.47 2go9A1 LYS 42 HD2 0.10 -0.04 0.02 -0.04 1.69 1.72 2go9A1 LYS 42 HD3 0.04 0.14 0.04 -0.04 1.68 1.86 2go9A1 LYS 42 HE2 0.06 0.01 -0.02 -0.04 2.99 2.99 2go9A1 LYS 42 HE3 0.06 -0.01 -0.11 -0.04 2.99 2.90 2go9A1 ASN 43 H -0.18 0.05 0.13 -0.55 8.53 7.98 2go9A1 ASN 43 HA -0.23 0.10 0.52 -0.75 4.76 4.40 2go9A1 ASN 43 HB2 -0.37 0.01 0.14 -0.04 2.88 2.63 2go9A1 ASN 43 HB3 -0.92 -0.10 0.22 -0.04 2.79 1.95 2go9A1 ASN 43 HD21 -1.56 -0.03 0.04 -0.04 7.03 5.43 2go9A1 ASN 43 HD22 -0.57 0.01 -0.02 -0.04 7.74 7.11 2go9A1 PHE 44 H -0.63 -0.05 0.07 -0.55 8.34 7.17 2go9A1 PHE 44 HA -0.15 0.19 0.33 -0.75 4.62 4.25 2go9A1 PHE 44 HB2 -0.32 -0.05 0.08 -0.04 3.15 2.81 2go9A1 PHE 44 HB3 -0.29 -0.02 0.17 -0.04 3.06 2.89 2go9A1 PHE 44 HD2 -0.09 0.04 0.07 -0.04 7.28 7.26 2go9A1 PHE 44 HE2 -0.04 0.01 0.03 -0.04 7.38 7.34 2go9A1 PHE 44 HZ -0.03 0.01 0.03 -0.04 7.32 7.29 2go9A1 ARG 45 H -0.06 0.55 0.19 -0.55 8.46 8.58 2go9A1 ARG 45 HA -0.09 0.07 0.86 -0.75 4.34 4.42 2go9A1 ARG 45 HB2 -0.02 0.27 0.16 -0.04 1.90 2.27 2go9A1 ARG 45 HB3 0.01 0.01 0.06 -0.04 1.80 1.84 2go9A1 ARG 45 HG2 0.02 -0.08 0.09 -0.04 1.67 1.66 2go9A1 ARG 45 HG3 0.00 -0.15 0.19 -0.04 1.67 1.67 2go9A1 ARG 45 HD2 -0.03 0.14 0.05 -0.04 3.22 3.34 2go9A1 ARG 45 HD3 0.00 0.08 0.02 -0.04 3.22 3.29 2go9A1 PHE 46 H 0.13 0.61 0.35 -0.55 8.34 8.88 2go9A1 PHE 46 HA 0.03 0.22 0.80 -0.75 4.62 4.91 2go9A1 PHE 46 HB2 0.03 -0.08 0.04 -0.04 3.15 3.10 2go9A1 PHE 46 HB3 0.02 0.06 0.22 -0.04 3.06 3.32 2go9A1 PHE 46 HD2 0.02 0.05 -0.02 -0.04 7.28 7.29 2go9A1 PHE 46 HE2 0.02 -0.01 -0.06 -0.04 7.38 7.29 2go9A1 PHE 46 HZ 0.04 -0.01 -0.05 -0.04 7.32 7.26 2go9A1 ALA 47 H 0.21 0.60 0.40 -0.55 8.40 9.06 2go9A1 ALA 47 HA 0.08 -0.07 0.39 -0.75 4.34 3.99 2go9A1 ALA 47 HB3 0.06 0.06 0.13 -0.04 1.41 1.62 2go9A1 ARG 48 H 0.01 0.62 0.24 -0.55 8.46 8.77 2go9A1 ARG 48 HA 0.06 0.26 0.99 -0.75 4.34 4.88 2go9A1 ARG 48 HB2 0.05 0.02 -0.05 -0.04 1.90 1.88 2go9A1 ARG 48 HB3 0.04 0.01 -0.27 -0.04 1.80 1.55 2go9A1 ARG 48 HG2 0.06 -0.03 -0.23 -0.04 1.67 1.42 2go9A1 ARG 48 HG3 0.04 -0.03 -0.19 -0.04 1.67 1.45 2go9A1 ARG 48 HD2 0.00 -0.06 -0.21 -0.04 3.22 2.92 2go9A1 ARG 48 HD3 0.09 0.03 -0.31 -0.04 3.22 2.99 2go9A1 ILE 49 H 0.09 0.69 0.29 -0.55 8.25 8.77 2go9A1 ILE 49 HA -0.06 0.17 0.91 -0.75 4.18 4.44 2go9A1 ILE 49 HB 0.37 -0.06 0.04 -0.04 1.89 2.20 2go9A1 ILE 49 HG12 -0.07 0.09 -0.38 -0.04 1.49 1.09 2go9A1 ILE 49 HG13 0.12 -0.03 -0.34 -0.04 1.21 0.92 2go9A1 ILE 49 HG23 -0.17 0.01 -0.14 -0.04 0.93 0.58 2go9A1 ILE 49 HD13 0.11 0.02 -0.14 -0.04 0.88 0.83 2go9A1 GLU 50 H 0.01 0.73 0.14 -0.55 8.60 8.93 2go9A1 GLU 50 HA 0.12 0.08 0.95 -0.75 4.29 4.69 2go9A1 GLU 50 HB2 0.05 0.00 0.02 -0.04 2.09 2.13 2go9A1 GLU 50 HB3 0.09 -0.03 0.22 -0.04 1.99 2.22 2go9A1 GLU 50 HG2 0.02 -0.02 -0.04 -0.04 2.34 2.26 2go9A1 GLU 50 HG3 0.01 -0.01 -0.01 -0.04 2.34 2.29 2go9A1 PHE 51 H 0.40 0.33 0.10 -0.55 8.34 8.62 2go9A1 PHE 51 HA 0.03 0.11 0.71 -0.75 4.62 4.72 2go9A1 PHE 51 HB2 0.02 0.08 0.07 -0.04 3.15 3.28 2go9A1 PHE 51 HB3 0.00 -0.05 0.05 -0.04 3.06 3.02 2go9A1 PHE 51 HD2 0.02 0.02 -0.06 -0.04 7.28 7.22 2go9A1 PHE 51 HE2 0.05 -0.02 -0.13 -0.04 7.38 7.24 2go9A1 PHE 51 HZ 0.10 0.04 -0.10 -0.04 7.32 7.32 2go9A1 ALA 52 H 0.15 0.40 0.08 -0.55 8.40 8.48 2go9A1 ALA 52 HA 0.04 -0.02 0.25 -0.75 4.34 3.86 2go9A1 ALA 52 HB3 0.02 0.04 0.05 -0.04 1.41 1.47 2go9A1 ARG 53 H 0.13 0.14 -0.29 -0.55 8.46 7.89 2go9A1 ARG 53 HA 0.02 0.19 0.78 -0.75 4.34 4.57 2go9A1 ARG 53 HB2 0.05 0.14 -0.07 -0.04 1.90 1.98 2go9A1 ARG 53 HB3 -0.11 -0.24 -0.02 -0.04 1.80 1.38 2go9A1 ARG 53 HG2 -0.08 -0.03 0.06 -0.04 1.67 1.58 2go9A1 ARG 53 HG3 -0.00 0.17 -0.31 -0.04 1.67 1.49 2go9A1 ARG 53 HD2 0.00 0.10 -0.06 -0.04 3.22 3.23 2go9A1 ARG 53 HD3 -0.08 -0.06 -0.01 -0.04 3.22 3.02 2go9A1 TYR 54 H -0.01 0.24 0.14 -0.55 8.29 8.12 2go9A1 TYR 54 HA -0.03 0.24 0.62 -0.75 4.56 4.63 2go9A1 TYR 54 HB2 -0.02 0.05 0.09 -0.04 3.06 3.14 2go9A1 TYR 54 HB3 -0.01 0.02 0.08 -0.04 2.98 3.03 2go9A1 TYR 54 HD2 -0.01 0.02 -0.08 -0.04 7.15 7.03 2go9A1 TYR 54 HE2 -0.01 0.05 0.01 -0.04 6.85 6.86 2go9A1 ASP 55 H -0.64 0.14 0.05 -0.55 8.40 7.40 2go9A1 ASP 55 HA -0.04 0.09 0.44 -0.75 4.63 4.37 2go9A1 ASP 55 HB2 -0.28 0.04 0.10 -0.04 2.71 2.53 2go9A1 ASP 55 HB3 -0.30 -0.03 0.09 -0.04 2.70 2.42 2go9A1 GLY 56 H -0.08 -0.07 -0.61 -0.55 8.43 7.13 2go9A1 GLY 56 HA2 0.02 0.16 0.33 -0.51 4.01 4.01 2go9A1 GLY 56 HA3 0.08 0.06 0.18 -0.51 4.01 3.81 2go9A1 ALA 57 H -0.15 0.33 -0.20 -0.55 8.40 7.83 2go9A1 ALA 57 HA -0.45 -0.00 0.27 -0.75 4.34 3.40 2go9A1 ALA 57 HB3 -0.04 0.02 0.10 -0.04 1.41 1.44 2go9A1 LEU 58 H -0.07 0.47 -0.15 -0.55 8.37 8.08 2go9A1 LEU 58 HA -0.03 -0.03 0.34 -0.75 4.35 3.88 2go9A1 LEU 58 HB2 0.01 0.05 0.14 -0.04 1.64 1.79 2go9A1 LEU 58 HB3 0.01 0.03 -0.03 -0.04 1.64 1.61 2go9A1 LEU 58 HG 0.05 0.00 0.00 -0.04 1.64 1.66 2go9A1 LEU 58 HD13 0.02 -0.01 0.01 -0.04 0.93 0.91 2go9A1 LEU 58 HD23 0.06 -0.01 -0.02 -0.04 0.89 0.88 2go9A1 ALA 59 H -0.11 0.53 -0.21 -0.55 8.40 8.07 2go9A1 ALA 59 HA -0.01 0.00 0.39 -0.75 4.34 3.98 2go9A1 ALA 59 HB3 -0.00 0.04 0.03 -0.04 1.41 1.44 2go9A1 ALA 60 H -0.28 0.34 -0.48 -0.55 8.40 7.43 2go9A1 ALA 60 HA 0.07 0.10 0.50 -0.75 4.34 4.26 2go9A1 ALA 60 HB3 -0.28 -0.00 -0.01 -0.04 1.41 1.08 2go9A1 ILE 61 H -0.09 0.64 0.04 -0.55 8.25 8.28 2go9A1 ILE 61 HA -0.03 0.03 0.15 -0.75 4.18 3.57 2go9A1 ILE 61 HB -0.01 0.03 0.12 -0.04 1.89 1.98 2go9A1 ILE 61 HG12 -0.01 -0.12 -0.15 -0.04 1.49 1.17 2go9A1 ILE 61 HG13 -0.05 0.08 -0.09 -0.04 1.21 1.10 2go9A1 ILE 61 HG23 0.01 0.02 -0.04 -0.04 0.93 0.89 2go9A1 ILE 61 HD13 0.01 -0.04 -0.21 -0.04 0.88 0.61 2go9A1 THR 62 H 0.00 0.63 -0.11 -0.55 8.28 8.26 2go9A1 THR 62 HA 0.11 -0.03 0.37 -0.75 4.39 4.09 2go9A1 THR 62 HB 0.07 -0.04 0.01 -0.04 4.32 4.32 2go9A1 THR 62 HG23 0.04 -0.03 0.03 -0.04 1.22 1.22 2go9A1 LYS 63 H 0.04 0.29 -0.57 -0.55 8.42 7.63 2go9A1 LYS 63 HA 0.11 0.01 0.28 -0.75 4.32 3.97 2go9A1 LYS 63 HB2 0.12 0.25 0.18 -0.04 1.87 2.38 2go9A1 LYS 63 HB3 0.18 -0.04 -0.04 -0.04 1.79 1.85 2go9A1 LYS 63 HG2 0.27 -0.01 -0.03 -0.04 1.46 1.65 2go9A1 LYS 63 HG3 0.33 -0.06 0.04 -0.04 1.46 1.72 2go9A1 LYS 63 HD2 0.03 -0.02 -0.03 -0.04 1.69 1.62 2go9A1 LYS 63 HD3 0.09 -0.05 -0.03 -0.04 1.68 1.65 2go9A1 LYS 63 HE2 0.07 0.02 0.03 -0.04 2.99 3.08 2go9A1 LYS 63 HE3 0.08 0.05 0.04 -0.04 2.99 3.12 2go9A1 THR 64 H -0.08 0.44 -0.60 -0.55 8.28 7.49 2go9A1 THR 64 HA -0.12 0.03 0.39 -0.75 4.39 3.94 2go9A1 THR 64 HB -0.17 0.15 0.24 -0.04 4.32 4.49 2go9A1 THR 64 HG23 -0.72 -0.02 0.02 -0.04 1.22 0.47 2go9A1 HIS 65 H -0.14 0.34 -0.21 -0.55 8.41 7.86 2go9A1 HIS 65 HA -0.00 0.01 0.33 -0.75 4.63 4.21 2go9A1 HIS 65 HB2 0.02 0.07 0.21 -0.04 3.26 3.52 2go9A1 HIS 65 HB3 0.01 -0.07 0.13 -0.04 3.20 3.22 2go9A1 HIS 65 HD2 0.01 0.20 0.14 -0.04 6.97 7.27 2go9A1 HIS 65 HE1 -0.01 -0.04 -0.01 -0.04 7.75 7.65 2go9A1 LYS 66 H -0.00 0.73 0.03 -0.55 8.42 8.62 2go9A1 LYS 66 HA 0.06 -0.07 0.37 -0.75 4.32 3.93 2go9A1 LYS 66 HB2 0.15 0.13 0.00 -0.04 1.87 2.11 2go9A1 LYS 66 HB3 0.13 0.00 0.03 -0.04 1.79 1.92 2go9A1 LYS 66 HG2 0.15 -0.07 0.05 -0.04 1.46 1.54 2go9A1 LYS 66 HG3 0.10 0.02 0.26 -0.04 1.46 1.79 2go9A1 LYS 66 HD2 0.13 0.04 -0.38 -0.04 1.69 1.44 2go9A1 LYS 66 HD3 0.19 -0.01 -0.06 -0.04 1.68 1.75 2go9A1 LYS 66 HE2 0.07 -0.08 0.04 -0.04 2.99 2.98 2go9A1 LYS 66 HE3 0.08 0.03 0.01 -0.04 2.99 3.07 2go9A1 VAL 67 H 0.02 0.08 0.08 -0.55 8.24 7.87 2go9A1 VAL 67 HA -0.05 0.05 0.57 -0.75 4.13 3.95 2go9A1 VAL 67 HB 0.01 0.03 0.04 -0.04 2.12 2.16 2go9A1 VAL 67 HG13 -0.01 -0.04 -0.13 -0.04 0.97 0.75 2go9A1 VAL 67 HG23 0.00 0.02 0.03 -0.04 0.95 0.97 2go9A1 VAL 68 H -0.05 0.11 -0.20 -0.55 8.24 7.55 2go9A1 VAL 68 HA 0.01 0.10 0.66 -0.75 4.13 4.15 2go9A1 VAL 68 HB -0.02 0.20 -0.17 -0.04 2.12 2.08 2go9A1 VAL 68 HG13 -0.24 0.03 -0.01 -0.04 0.97 0.71 2go9A1 VAL 68 HG23 0.10 -0.04 -0.18 -0.04 0.95 0.79 2go9A1 GLY 69 H 0.02 0.19 -0.01 -0.55 8.43 8.08 2go9A1 GLY 69 HA2 0.01 0.05 0.32 -0.51 4.01 3.88 2go9A1 GLY 69 HA3 0.02 0.08 0.38 -0.51 4.01 3.98 2go9A1 GLN 70 H 0.01 0.09 -0.03 -0.55 8.47 7.99 2go9A1 GLN 70 HA 0.00 0.01 0.26 -0.75 4.36 3.88 2go9A1 GLN 70 HB2 0.01 0.18 -0.16 -0.04 2.15 2.13 2go9A1 GLN 70 HB3 0.01 0.02 0.13 -0.04 2.02 2.14 2go9A1 GLN 70 HG2 0.01 0.02 0.00 -0.04 2.40 2.39 2go9A1 GLN 70 HG3 0.01 -0.13 -0.18 -0.04 2.39 2.05 2go9A1 GLN 70 HE21 0.01 -0.00 -0.01 -0.04 6.97 6.93 2go9A1 GLN 70 HE22 0.01 0.01 -0.01 -0.04 7.69 7.65 2go9A1 ASN 71 H -0.01 0.04 -0.89 -0.55 8.53 7.13 2go9A1 ASN 71 HA 0.01 0.13 0.59 -0.75 4.76 4.73 2go9A1 ASN 71 HB2 0.02 0.07 -0.19 -0.04 2.88 2.73 2go9A1 ASN 71 HB3 -0.01 -0.01 0.08 -0.04 2.79 2.81 2go9A1 ASN 71 HD21 0.03 -0.05 -0.38 -0.04 7.03 6.60 2go9A1 ASN 71 HD22 0.17 0.06 -0.19 -0.04 7.74 7.74 2go9A1 GLU 72 H -0.03 0.14 -0.08 -0.55 8.60 8.08 2go9A1 GLU 72 HA -0.08 -0.04 0.57 -0.75 4.29 3.98 2go9A1 GLU 72 HB2 -0.04 0.13 0.05 -0.04 2.09 2.18 2go9A1 GLU 72 HB3 -0.03 -0.10 0.10 -0.04 1.99 1.91 2go9A1 GLU 72 HG2 -0.03 -0.00 0.02 -0.04 2.34 2.29 2go9A1 GLU 72 HG3 -0.04 -0.06 0.08 -0.04 2.34 2.28 2go9A1 ILE 73 H -0.19 0.13 0.32 -0.55 8.25 7.97 2go9A1 ILE 73 HA -0.16 0.05 0.72 -0.75 4.18 4.05 2go9A1 ILE 73 HB -0.31 0.00 0.11 -0.04 1.89 1.65 2go9A1 ILE 73 HG12 -1.02 -0.02 0.04 -0.04 1.49 0.44 2go9A1 ILE 73 HG13 -0.36 0.08 0.20 -0.04 1.21 1.09 2go9A1 ILE 73 HG23 -0.38 -0.02 0.12 -0.04 0.93 0.61 2go9A1 ILE 73 HD13 -0.28 0.00 -0.18 -0.04 0.88 0.38 2go9A1 ILE 74 H -0.12 0.42 0.26 -0.55 8.25 8.26 2go9A1 ILE 74 HA -0.12 0.18 0.78 -0.75 4.18 4.26 2go9A1 ILE 74 HB -0.07 -0.12 0.12 -0.04 1.89 1.78 2go9A1 ILE 74 HG12 -0.10 -0.01 -0.10 -0.04 1.49 1.24 2go9A1 ILE 74 HG13 -0.11 0.11 -0.46 -0.04 1.21 0.71 2go9A1 ILE 74 HG23 -0.07 0.01 -0.14 -0.04 0.93 0.68 2go9A1 ILE 74 HD13 -0.15 -0.01 -0.10 -0.04 0.88 0.58 2go9A1 VAL 75 H -0.11 0.25 0.20 -0.55 8.24 8.03 2go9A1 VAL 75 HA -0.02 0.23 1.01 -0.75 4.13 4.59 2go9A1 VAL 75 HB -0.05 0.08 0.02 -0.04 2.12 2.13 2go9A1 VAL 75 HG13 0.02 -0.02 -0.32 -0.04 0.97 0.61 2go9A1 VAL 75 HG23 -0.01 0.01 -0.21 -0.04 0.95 0.70 2go9A1 SER 76 H -0.03 0.65 0.35 -0.55 8.46 8.89 2go9A1 SER 76 HA -0.03 0.09 0.65 -0.75 4.49 4.44 2go9A1 SER 76 HB2 -0.21 0.16 -0.01 -0.04 3.95 3.85 2go9A1 SER 76 HB3 -0.15 -0.07 0.15 -0.04 3.93 3.81 2go9A1 HIS 77 H 0.01 0.10 0.16 -0.55 8.41 8.13 2go9A1 HIS 77 HA -0.00 0.12 0.75 -0.75 4.63 4.74 2go9A1 HIS 77 HB2 0.00 -0.01 0.22 -0.04 3.26 3.44 2go9A1 HIS 77 HB3 -0.01 -0.02 0.18 -0.04 3.20 3.31 2go9A1 HIS 77 HD2 -0.00 -0.00 0.06 -0.04 6.97 6.98 2go9A1 HIS 77 HE1 0.00 -0.06 -0.06 -0.04 7.75 7.59 2go9A1 LEU 78 H 0.14 0.41 0.27 -0.55 8.37 8.65 2go9A1 LEU 78 HA 0.01 0.07 0.42 -0.75 4.35 4.10 2go9A1 LEU 78 HB2 0.06 -0.04 -0.37 -0.04 1.64 1.26 2go9A1 LEU 78 HB3 0.08 -0.03 -0.02 -0.04 1.64 1.63 2go9A1 LEU 78 HG 0.06 0.16 -0.18 -0.04 1.64 1.63 2go9A1 LEU 78 HD13 0.02 -0.03 -0.10 -0.04 0.93 0.79 2go9A1 LEU 78 HD23 0.05 -0.02 -0.17 -0.04 0.89 0.71 2go9A1 THR 79 H 0.01 0.15 0.12 -0.55 8.28 8.01 2go9A1 THR 79 HA 0.12 0.22 0.80 -0.75 4.39 4.77 2go9A1 THR 79 HB -0.01 0.11 -0.03 -0.04 4.32 4.36 2go9A1 THR 79 HG23 -0.04 -0.01 -0.04 -0.04 1.22 1.09 2go9A1 GLU 80 H 0.06 0.23 0.09 -0.55 8.60 8.43 2go9A1 GLU 80 HA 0.08 -0.01 0.11 -0.75 4.29 3.72 2go9A1 GLU 80 HB2 0.07 0.10 0.19 -0.04 2.09 2.40 2go9A1 GLU 80 HB3 0.06 0.01 0.15 -0.04 1.99 2.17 2go9A1 GLU 80 HG2 0.04 0.01 -0.20 -0.04 2.34 2.14 2go9A1 GLU 80 HG3 0.04 0.10 0.01 -0.04 2.34 2.44 2go9A1 CYS 81 H 0.03 0.18 -0.87 -0.55 8.50 7.29 2go9A1 CYS 81 HA 0.02 0.11 0.34 -0.75 4.58 4.30 2go9A1 CYS 81 HB2 -0.03 -0.02 -0.04 -0.04 2.97 2.83 2go9A1 CYS 81 HB3 -0.02 0.19 0.22 -0.04 2.97 3.32 2go9A1 THR 82 H 0.09 0.12 -0.83 -0.55 8.28 7.11 2go9A1 THR 82 HA 0.09 0.15 0.93 -0.75 4.39 4.81 2go9A1 THR 82 HB 0.17 -0.01 -0.12 -0.04 4.32 4.32 2go9A1 THR 82 HG23 0.24 0.01 -0.24 -0.04 1.22 1.20 2go9A1 LEU 83 H 0.08 0.56 0.37 -0.55 8.37 8.83 2go9A1 LEU 83 HA -0.02 0.32 1.18 -0.75 4.35 5.07 2go9A1 LEU 83 HB2 -0.10 -0.01 0.00 -0.04 1.64 1.49 2go9A1 LEU 83 HB3 -0.06 -0.01 0.11 -0.04 1.64 1.64 2go9A1 LEU 83 HG 0.03 0.05 0.08 -0.04 1.64 1.76 2go9A1 LEU 83 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.75 2go9A1 LEU 83 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.78 2go9A1 TRP 84 H -0.41 0.51 0.34 -0.55 7.97 7.86 2go9A1 TRP 84 HA -0.18 0.13 0.69 -0.75 4.62 4.51 2go9A1 TRP 84 HB2 -0.24 0.11 0.07 -0.04 3.23 3.13 2go9A1 TRP 84 HB3 0.10 -0.05 0.03 -0.04 3.23 3.27 2go9A1 TRP 84 HD1 0.05 0.13 -0.21 -0.04 7.22 7.15 2go9A1 TRP 84 HE1 0.02 0.06 -0.12 -0.04 10.20 10.12 2go9A1 TRP 84 HE3 -0.16 0.09 -0.32 -0.04 7.59 7.16 2go9A1 TRP 84 HZ2 -0.03 -0.01 -0.12 -0.04 7.44 7.24 2go9A1 TRP 84 HZ3 -0.35 0.01 -0.14 -0.04 7.13 6.61 2go9A1 TRP 84 HH2 -0.10 0.02 -0.10 -0.04 7.19 6.97 2go9A1 MET 85 H -0.31 0.55 0.32 -0.55 8.47 8.48 2go9A1 MET 85 HA -0.43 0.18 0.99 -0.75 4.52 4.51 2go9A1 MET 85 HB2 -1.21 -0.01 0.08 -0.04 2.15 0.97 2go9A1 MET 85 HB3 -0.74 0.02 -0.02 -0.04 2.03 1.24 2go9A1 MET 85 HG2 -0.34 0.03 -0.06 -0.04 2.63 2.21 2go9A1 MET 85 HG3 -0.35 -0.04 -0.10 -0.04 2.56 2.02 2go9A1 MET 85 HE3 -0.22 0.01 -0.13 -0.04 2.10 1.72 2go9A1 THR 86 H -0.23 0.53 0.29 -0.55 8.28 8.31 2go9A1 THR 86 HA 0.11 0.18 0.98 -0.75 4.39 4.91 2go9A1 THR 86 HB -0.20 0.01 -0.16 -0.04 4.32 3.93 2go9A1 THR 86 HG23 -0.27 0.02 -0.05 -0.04 1.22 0.88 2go9A1 ASN 87 H -0.04 0.13 0.23 -0.55 8.53 8.31 2go9A1 ASN 87 HA 0.21 0.13 0.36 -0.75 4.76 4.71 2go9A1 ASN 87 HB2 0.06 -0.11 0.22 -0.04 2.88 3.01 2go9A1 ASN 87 HB3 0.33 0.11 0.25 -0.04 2.79 3.45 2go9A1 ASN 87 HD21 0.05 -0.05 -0.18 -0.04 7.03 6.82 2go9A1 ASN 87 HD22 0.04 0.01 -0.02 -0.04 7.74 7.72 2go9A1 PHE 88 H 0.49 0.42 -0.67 -0.55 8.34 8.02 2go9A1 PHE 88 HA -0.15 0.14 0.57 -0.75 4.62 4.43 2go9A1 PHE 88 HB2 -0.41 -0.00 -0.02 -0.04 3.15 2.69 2go9A1 PHE 88 HB3 -0.21 -0.13 -0.13 -0.04 3.06 2.56 2go9A1 PHE 88 HD2 -0.23 0.06 -0.14 -0.04 7.28 6.93 2go9A1 PHE 88 HE2 0.09 0.12 -0.07 -0.04 7.38 7.48 2go9A1 PHE 88 HZ 0.03 -0.03 -0.17 -0.04 7.32 7.11 2go9A1 PRO 89 HA -0.30 0.18 0.49 -0.51 4.44 4.30 2go9A1 PRO 89 HB2 -0.11 -0.12 0.01 -0.04 2.28 2.02 2go9A1 PRO 89 HB3 -0.17 0.09 0.07 -0.04 2.02 1.98 2go9A1 PRO 89 HG2 0.04 -0.07 -0.01 -0.04 2.03 1.95 2go9A1 PRO 89 HG3 -0.02 0.06 0.02 -0.04 2.03 2.05 2go9A1 PRO 89 HD2 -0.15 0.05 0.16 -0.04 3.68 3.70 2go9A1 PRO 89 HD3 -0.13 0.23 0.17 -0.04 3.65 3.88 2go9A1 PRO 90 HA -0.30 0.17 0.26 -0.51 4.44 4.06 2go9A1 PRO 90 HB2 -0.06 0.00 0.02 -0.04 2.28 2.20 2go9A1 PRO 90 HB3 -0.12 0.07 0.15 -0.04 2.02 2.08 2go9A1 PRO 90 HG2 -0.08 0.01 0.01 -0.04 2.03 1.93 2go9A1 PRO 90 HG3 -0.08 0.00 0.04 -0.04 2.03 1.96 2go9A1 PRO 90 HD2 -0.15 0.09 0.20 -0.04 3.68 3.78 2go9A1 PRO 90 HD3 -0.20 0.20 0.22 -0.04 3.65 3.83 2go9A1 SER 91 H -0.07 0.09 -0.45 -0.55 8.46 7.48 2go9A1 SER 91 HA -0.01 0.07 0.32 -0.75 4.49 4.12 2go9A1 SER 91 HB2 -0.02 -0.01 0.02 -0.04 3.95 3.90 2go9A1 SER 91 HB3 0.03 0.04 -0.06 -0.04 3.93 3.90 2go9A1 TYR 92 H 0.14 0.34 -0.62 -0.55 8.29 7.60 2go9A1 TYR 92 HA 0.06 -0.01 0.67 -0.75 4.56 4.53 2go9A1 TYR 92 HB2 0.20 0.19 0.05 -0.04 3.06 3.46 2go9A1 TYR 92 HB3 0.31 -0.04 -0.03 -0.04 2.98 3.19 2go9A1 TYR 92 HD2 0.08 -0.03 -0.13 -0.04 7.15 7.03 2go9A1 TYR 92 HE2 0.05 -0.01 -0.09 -0.04 6.85 6.76 2go9A1 THR 93 H -0.05 0.27 0.09 -0.55 8.28 8.05 2go9A1 THR 93 HA 0.05 0.19 0.62 -0.75 4.39 4.49 2go9A1 THR 93 HB 0.00 -0.11 0.06 -0.04 4.32 4.23 2go9A1 THR 93 HG23 0.00 0.04 0.02 -0.04 1.22 1.25 2go9A1 GLN 94 H 0.05 0.23 0.12 -0.55 8.47 8.32 2go9A1 GLN 94 HA 0.07 0.11 0.18 -0.75 4.36 3.96 2go9A1 GLN 94 HB2 0.05 0.07 0.15 -0.04 2.15 2.38 2go9A1 GLN 94 HB3 0.04 -0.02 0.11 -0.04 2.02 2.10 2go9A1 GLN 94 HG2 0.06 -0.04 -0.06 -0.04 2.40 2.33 2go9A1 GLN 94 HG3 0.05 0.06 0.00 -0.04 2.39 2.46 2go9A1 GLN 94 HE21 0.05 0.46 0.15 -0.04 6.97 7.59 2go9A1 GLN 94 HE22 0.05 -0.06 0.06 -0.04 7.69 7.70 2go9A1 ARG 95 H 0.02 0.12 -0.10 -0.55 8.46 7.94 2go9A1 ARG 95 HA 0.01 0.08 0.43 -0.75 4.34 4.10 2go9A1 ARG 95 HB2 -0.01 0.06 -0.01 -0.04 1.90 1.90 2go9A1 ARG 95 HB3 0.00 0.05 0.09 -0.04 1.80 1.90 2go9A1 ARG 95 HG2 -0.00 -0.06 0.01 -0.04 1.67 1.57 2go9A1 ARG 95 HG3 -0.02 -0.05 -0.01 -0.04 1.67 1.54 2go9A1 ARG 95 HD2 -0.01 0.03 0.01 -0.04 3.22 3.20 2go9A1 ARG 95 HD3 -0.01 0.04 -0.02 -0.04 3.22 3.19 2go9A1 ASN 96 H -0.04 0.15 -0.25 -0.55 8.53 7.85 2go9A1 ASN 96 HA -0.08 0.02 0.32 -0.75 4.76 4.27 2go9A1 ASN 96 HB2 -0.13 -0.07 0.16 -0.04 2.88 2.79 2go9A1 ASN 96 HB3 -0.23 0.12 0.01 -0.04 2.79 2.65 2go9A1 ASN 96 HD21 -0.10 -0.05 0.04 -0.04 7.03 6.88 2go9A1 ASN 96 HD22 -0.14 0.03 0.02 -0.04 7.74 7.61 2go9A1 ILE 97 H 0.00 0.42 -0.41 -0.55 8.25 7.71 2go9A1 ILE 97 HA 0.04 0.04 0.49 -0.75 4.18 4.00 2go9A1 ILE 97 HB 0.06 0.14 0.03 -0.04 1.89 2.08 2go9A1 ILE 97 HG12 0.26 -0.02 -0.14 -0.04 1.49 1.55 2go9A1 ILE 97 HG13 0.11 0.11 -0.19 -0.04 1.21 1.21 2go9A1 ILE 97 HG23 0.07 -0.02 -0.10 -0.04 0.93 0.84 2go9A1 ILE 97 HD13 0.14 0.00 -0.21 -0.04 0.88 0.77 2go9A1 ARG 98 H 0.02 0.43 -0.10 -0.55 8.46 8.26 2go9A1 ARG 98 HA 0.03 -0.00 0.34 -0.75 4.34 3.95 2go9A1 ARG 98 HB2 0.03 0.00 0.09 -0.04 1.90 1.97 2go9A1 ARG 98 HB3 0.01 0.08 0.10 -0.04 1.80 1.96 2go9A1 ARG 98 HG2 0.02 -0.03 0.06 -0.04 1.67 1.68 2go9A1 ARG 98 HG3 0.03 -0.01 0.01 -0.04 1.67 1.65 2go9A1 ARG 98 HD2 0.01 0.03 -0.19 -0.04 3.22 3.03 2go9A1 ARG 98 HD3 0.02 0.01 -0.02 -0.04 3.22 3.19 2go9A1 ASP 99 H -0.00 0.41 -0.26 -0.55 8.40 8.00 2go9A1 ASP 99 HA 0.00 0.08 0.56 -0.75 4.63 4.51 2go9A1 ASP 99 HB2 -0.03 0.06 0.12 -0.04 2.71 2.83 2go9A1 ASP 99 HB3 -0.02 0.01 -0.03 -0.04 2.70 2.63 2go9A1 LEU 100 H -0.00 0.56 -0.07 -0.55 8.37 8.31 2go9A1 LEU 100 HA 0.02 0.02 0.23 -0.75 4.35 3.87 2go9A1 LEU 100 HB2 0.03 0.13 0.21 -0.04 1.64 1.97 2go9A1 LEU 100 HB3 0.07 -0.03 -0.07 -0.04 1.64 1.57 2go9A1 LEU 100 HG 0.08 -0.01 -0.03 -0.04 1.64 1.64 2go9A1 LEU 100 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 2go9A1 LEU 100 HD23 -0.04 0.02 -0.01 -0.04 0.89 0.83 2go9A1 LEU 101 H 0.03 0.69 -0.18 -0.55 8.37 8.36 2go9A1 LEU 101 HA 0.03 0.02 0.54 -0.75 4.35 4.19 2go9A1 LEU 101 HB2 0.03 -0.07 -0.05 -0.04 1.64 1.50 2go9A1 LEU 101 HB3 0.04 0.01 -0.01 -0.04 1.64 1.64 2go9A1 LEU 101 HG 0.03 0.17 0.01 -0.04 1.64 1.81 2go9A1 LEU 101 HD13 0.03 0.00 -0.41 -0.04 0.93 0.51 2go9A1 LEU 101 HD23 0.04 -0.02 -0.23 -0.04 0.89 0.64 2go9A1 GLN 102 H 0.02 0.37 -0.45 -0.55 8.47 7.86 2go9A1 GLN 102 HA 0.02 -0.06 0.60 -0.75 4.36 4.17 2go9A1 GLN 102 HB2 0.02 0.06 0.14 -0.04 2.15 2.32 2go9A1 GLN 102 HB3 0.01 0.08 0.16 -0.04 2.02 2.23 2go9A1 GLN 102 HG2 0.01 -0.03 -0.06 -0.04 2.40 2.29 2go9A1 GLN 102 HG3 0.01 -0.04 0.17 -0.04 2.39 2.49 2go9A1 GLN 102 HE21 0.02 0.51 0.22 -0.04 6.97 7.67 2go9A1 GLN 102 HE22 0.01 -0.11 0.07 -0.04 7.69 7.62 2go9A1 ASP 103 H 0.02 0.47 -0.15 -0.55 8.40 8.19 2go9A1 ASP 103 HA 0.02 0.05 0.31 -0.75 4.63 4.25 2go9A1 ASP 103 HB2 0.01 -0.01 0.00 -0.04 2.71 2.68 2go9A1 ASP 103 HB3 0.02 0.09 0.09 -0.04 2.70 2.86 2go9A1 ILE 104 H 0.03 0.24 -0.26 -0.55 8.25 7.71 2go9A1 ILE 104 HA 0.04 0.16 0.74 -0.75 4.18 4.38 2go9A1 ILE 104 HB 0.05 0.01 -0.02 -0.04 1.89 1.88 2go9A1 ILE 104 HG12 0.10 -0.07 -0.10 -0.04 1.49 1.37 2go9A1 ILE 104 HG13 0.10 0.04 0.06 -0.04 1.21 1.37 2go9A1 ILE 104 HG23 0.04 0.00 -0.02 -0.04 0.93 0.92 2go9A1 ILE 104 HD13 0.11 -0.01 -0.03 -0.04 0.88 0.91 2go9A1 ASN 105 H 0.03 0.29 -0.12 -0.55 8.53 8.18 2go9A1 ASN 105 HA 0.02 0.14 0.86 -0.75 4.76 5.03 2go9A1 ASN 105 HB2 0.03 0.16 0.21 -0.04 2.88 3.24 2go9A1 ASN 105 HB3 0.02 -0.11 0.12 -0.04 2.79 2.78 2go9A1 ASN 105 HD21 0.03 0.04 0.04 -0.04 7.03 7.09 2go9A1 ASN 105 HD22 0.04 -0.05 -0.19 -0.04 7.74 7.50 2go9A1 VAL 106 H 0.02 0.43 0.16 -0.55 8.24 8.30 2go9A1 VAL 106 HA 0.02 0.15 0.48 -0.75 4.13 4.02 2go9A1 VAL 106 HB 0.01 0.23 0.41 -0.04 2.12 2.73 2go9A1 VAL 106 HG13 0.02 -0.05 -0.20 -0.04 0.97 0.69 2go9A1 VAL 106 HG23 0.01 -0.02 -0.01 -0.04 0.95 0.89 2go9A1 VAL 107 H 0.02 0.14 0.06 -0.55 8.24 7.92 2go9A1 VAL 107 HA 0.03 0.21 0.86 -0.75 4.13 4.48 2go9A1 VAL 107 HB 0.03 0.06 -0.12 -0.04 2.12 2.05 2go9A1 VAL 107 HG13 0.04 -0.03 -0.04 -0.04 0.97 0.90 2go9A1 VAL 107 HG23 0.05 0.00 0.01 -0.04 0.95 0.98 2go9A1 ALA 108 H 0.04 0.32 0.22 -0.55 8.40 8.43 2go9A1 ALA 108 HA 0.03 -0.01 0.75 -0.75 4.34 4.35 2go9A1 ALA 108 HB3 0.04 0.04 -0.01 -0.04 1.41 1.43 2go9A1 LEU 109 H 0.03 0.62 0.35 -0.55 8.37 8.82 2go9A1 LEU 109 HA 0.06 0.15 0.72 -0.75 4.35 4.53 2go9A1 LEU 109 HB2 -0.04 -0.20 -0.17 -0.04 1.64 1.18 2go9A1 LEU 109 HB3 -0.01 -0.00 -0.23 -0.04 1.64 1.36 2go9A1 LEU 109 HG 0.05 0.02 -0.08 -0.04 1.64 1.58 2go9A1 LEU 109 HD13 -0.33 0.00 -0.17 -0.04 0.93 0.39 2go9A1 LEU 109 HD23 0.03 0.01 -0.32 -0.04 0.89 0.56 2go9A1 SER 110 H 0.04 0.44 0.31 -0.55 8.46 8.71 2go9A1 SER 110 HA 0.06 0.21 0.69 -0.75 4.49 4.70 2go9A1 SER 110 HB2 0.07 -0.07 -0.18 -0.04 3.95 3.73 2go9A1 SER 110 HB3 0.10 0.00 -0.05 -0.04 3.93 3.95 2go9A1 ILE 111 H 0.09 0.24 0.09 -0.55 8.25 8.12 2go9A1 ILE 111 HA 0.08 0.11 0.92 -0.75 4.18 4.54 2go9A1 ILE 111 HB 0.06 -0.01 0.09 -0.04 1.89 1.99 2go9A1 ILE 111 HG12 0.05 0.08 -0.30 -0.04 1.49 1.28 2go9A1 ILE 111 HG13 0.05 -0.10 -0.39 -0.04 1.21 0.73 2go9A1 ILE 111 HG23 0.06 0.03 -0.14 -0.04 0.93 0.84 2go9A1 ILE 111 HD13 0.04 0.00 -0.12 -0.04 0.88 0.76 2go9A1 ARG 112 H 0.10 0.77 0.37 -0.55 8.46 9.15 2go9A1 ARG 112 HA -0.01 0.09 0.88 -0.75 4.34 4.55 2go9A1 ARG 112 HB2 0.13 0.09 0.13 -0.04 1.90 2.22 2go9A1 ARG 112 HB3 0.14 0.02 -0.05 -0.04 1.80 1.87 2go9A1 ARG 112 HG2 -0.23 -0.01 -0.10 -0.04 1.67 1.29 2go9A1 ARG 112 HG3 -0.02 -0.07 -0.11 -0.04 1.67 1.42 2go9A1 ARG 112 HD2 -0.64 -0.07 -0.06 -0.04 3.22 2.41 2go9A1 ARG 112 HD3 -0.15 0.03 -0.06 -0.04 3.22 2.99 2go9A1 LEU 113 H 0.03 0.19 0.20 -0.55 8.37 8.25 2go9A1 LEU 113 HA 0.13 0.14 0.84 -0.75 4.35 4.70 2go9A1 LEU 113 HB2 0.06 -0.10 0.11 -0.04 1.64 1.67 2go9A1 LEU 113 HB3 0.08 0.24 -0.01 -0.04 1.64 1.91 2go9A1 LEU 113 HG 0.18 0.11 0.07 -0.04 1.64 1.97 2go9A1 LEU 113 HD13 0.11 -0.02 -0.22 -0.04 0.93 0.76 2go9A1 LEU 113 HD23 0.09 0.02 0.09 -0.04 0.89 1.05 2go9A1 PRO 114 HA 0.11 0.10 0.58 -0.51 4.44 4.72 2go9A1 PRO 114 HB2 0.06 -0.12 -0.08 -0.04 2.28 2.09 2go9A1 PRO 114 HB3 0.14 0.20 0.10 -0.04 2.02 2.42 2go9A1 PRO 114 HG2 0.11 -0.04 -0.04 -0.04 2.03 2.01 2go9A1 PRO 114 HG3 0.19 0.11 -0.24 -0.04 2.03 2.06 2go9A1 PRO 114 HD2 0.19 0.07 0.18 -0.04 3.68 4.09 2go9A1 PRO 114 HD3 0.16 0.20 0.12 -0.04 3.65 4.09 2go9A1 SER 115 H 0.02 0.21 -0.10 -0.55 8.46 8.06 2go9A1 SER 115 HA 0.01 0.04 0.41 -0.75 4.49 4.19 2go9A1 SER 115 HB2 -0.00 0.00 0.10 -0.04 3.95 4.01 2go9A1 SER 115 HB3 -0.01 0.05 0.00 -0.04 3.93 3.94 2go9A1 LEU 116 H -0.02 0.04 -0.14 -0.55 8.37 7.71 2go9A1 LEU 116 HA -0.04 0.25 0.86 -0.75 4.35 4.66 2go9A1 LEU 116 HB2 -0.03 -0.04 0.03 -0.04 1.64 1.57 2go9A1 LEU 116 HB3 -0.04 -0.08 0.05 -0.04 1.64 1.53 2go9A1 LEU 116 HG -0.05 0.07 -0.00 -0.04 1.64 1.62 2go9A1 LEU 116 HD13 -0.05 0.02 -0.02 -0.04 0.93 0.84 2go9A1 LEU 116 HD23 -0.04 0.02 -0.02 -0.04 0.89 0.80 2go9A1 ARG 117 H -0.06 -0.07 -0.04 -0.55 8.46 7.74 2go9A1 ARG 117 HA -0.32 0.27 0.76 -0.75 4.34 4.30 2go9A1 ARG 117 HB2 -0.04 -0.08 0.07 -0.04 1.90 1.81 2go9A1 ARG 117 HB3 -0.24 0.01 0.07 -0.04 1.80 1.60 2go9A1 ARG 117 HG2 -0.12 0.06 -0.16 -0.04 1.67 1.41 2go9A1 ARG 117 HG3 -0.04 0.02 -0.03 -0.04 1.67 1.58 2go9A1 ARG 117 HD2 -0.18 -0.03 -0.01 -0.04 3.22 2.96 2go9A1 ARG 117 HD3 -0.39 0.05 0.04 -0.04 3.22 2.87 2go9A1 PHE 118 H 0.07 -0.06 0.06 -0.55 8.34 7.85 2go9A1 PHE 118 HA -0.00 0.29 0.82 -0.75 4.62 4.98 2go9A1 PHE 118 HB2 -0.01 -0.20 0.16 -0.04 3.15 3.06 2go9A1 PHE 118 HB3 -0.01 0.08 0.01 -0.04 3.06 3.11 2go9A1 PHE 118 HD2 -0.00 -0.01 -0.01 -0.04 7.28 7.21 2go9A1 PHE 118 HE2 -0.00 0.03 -0.03 -0.04 7.38 7.33 2go9A1 PHE 118 HZ -0.00 0.02 -0.03 -0.04 7.32 7.27 2go9A1 ASN 119 H 0.18 -0.09 0.19 -0.55 8.53 8.26 2go9A1 ASN 119 HA 0.05 0.16 0.36 -0.75 4.76 4.58 2go9A1 ASN 119 HB2 0.02 0.05 0.10 -0.04 2.88 3.01 2go9A1 ASN 119 HB3 0.05 0.20 0.11 -0.04 2.79 3.11 2go9A1 ASN 119 HD21 0.05 0.09 -0.14 -0.04 7.03 6.99 2go9A1 ASN 119 HD22 0.00 0.03 -0.04 -0.04 7.74 7.69 2go9A1 THR 120 H 0.08 0.10 0.16 -0.55 8.28 8.08 2go9A1 THR 120 HA -0.00 0.16 0.27 -0.75 4.39 4.06 2go9A1 THR 120 HB 0.04 0.04 0.22 -0.04 4.32 4.58 2go9A1 THR 120 HG23 -0.01 0.03 0.08 -0.04 1.22 1.28 2go9A1 SER 121 H 0.00 0.59 -0.18 -0.55 8.46 8.32 2go9A1 SER 121 HA 0.00 0.18 0.53 -0.75 4.49 4.45 2go9A1 SER 121 HB2 -0.02 0.04 -0.07 -0.04 3.95 3.86 2go9A1 SER 121 HB3 -0.02 0.07 0.05 -0.04 3.93 3.99 2go9A1 ARG 122 H -0.03 0.06 -0.01 -0.55 8.46 7.93 2go9A1 ARG 122 HA -0.03 0.09 0.36 -0.75 4.34 4.00 2go9A1 ARG 122 HB2 -0.01 -0.08 -0.10 -0.04 1.90 1.68 2go9A1 ARG 122 HB3 0.03 0.05 0.10 -0.04 1.80 1.94 2go9A1 ARG 122 HG2 0.08 0.10 0.09 -0.04 1.67 1.90 2go9A1 ARG 122 HG3 -0.05 -0.01 0.06 -0.04 1.67 1.64 2go9A1 ARG 122 HD2 -0.01 -0.06 -0.01 -0.04 3.22 3.10 2go9A1 ARG 122 HD3 0.06 -0.00 0.01 -0.04 3.22 3.24 2go9A1 ARG 123 H -0.03 -0.12 -0.29 -0.55 8.46 7.48 2go9A1 ARG 123 HA -0.58 0.18 0.74 -0.75 4.34 3.93 2go9A1 ARG 123 HB2 -0.10 -0.07 -0.00 -0.04 1.90 1.69 2go9A1 ARG 123 HB3 -0.03 0.03 0.04 -0.04 1.80 1.81 2go9A1 ARG 123 HG2 -0.47 0.06 0.14 -0.04 1.67 1.36 2go9A1 ARG 123 HG3 -0.16 -0.00 0.04 -0.04 1.67 1.51 2go9A1 ARG 123 HD2 0.04 -0.07 0.03 -0.04 3.22 3.18 2go9A1 ARG 123 HD3 0.09 0.01 0.10 -0.04 3.22 3.38 2go9A1 PHE 124 H -0.15 0.06 0.16 -0.55 8.34 7.86 2go9A1 PHE 124 HA 0.16 0.28 0.87 -0.75 4.62 5.17 2go9A1 PHE 124 HB2 0.02 -0.08 0.05 -0.04 3.15 3.10 2go9A1 PHE 124 HB3 0.08 0.16 0.17 -0.04 3.06 3.43 2go9A1 PHE 124 HD2 0.15 0.16 -0.15 -0.04 7.28 7.41 2go9A1 PHE 124 HE2 0.11 0.05 -0.03 -0.04 7.38 7.47 2go9A1 PHE 124 HZ 0.10 -0.01 -0.01 -0.04 7.32 7.36 2go9A1 ALA 125 H -0.40 0.58 0.36 -0.55 8.40 8.39 2go9A1 ALA 125 HA -0.33 0.13 0.82 -0.75 4.34 4.21 2go9A1 ALA 125 HB3 -0.23 0.01 0.02 -0.04 1.41 1.17 2go9A1 TYR 126 H 0.07 0.64 0.27 -0.55 8.29 8.73 2go9A1 TYR 126 HA 0.16 0.25 0.90 -0.75 4.56 5.12 2go9A1 TYR 126 HB2 0.05 -0.06 0.01 -0.04 3.06 3.01 2go9A1 TYR 126 HB3 0.08 0.02 -0.07 -0.04 2.98 2.97 2go9A1 TYR 126 HD2 0.00 0.03 -0.14 -0.04 7.15 7.00 2go9A1 TYR 126 HE2 -0.06 0.05 -0.14 -0.04 6.85 6.66 2go9A1 ILE 127 H 0.16 0.92 0.38 -0.55 8.25 9.17 2go9A1 ILE 127 HA 0.10 0.07 0.94 -0.75 4.18 4.53 2go9A1 ILE 127 HB 0.04 -0.01 0.03 -0.04 1.89 1.91 2go9A1 ILE 127 HG12 0.05 -0.01 -0.12 -0.04 1.49 1.36 2go9A1 ILE 127 HG13 0.07 0.06 -0.34 -0.04 1.21 0.96 2go9A1 ILE 127 HG23 0.05 0.01 -0.03 -0.04 0.93 0.91 2go9A1 ILE 127 HD13 -0.03 0.01 -0.29 -0.04 0.88 0.53 2go9A1 ASP 128 H 0.07 0.69 0.34 -0.55 8.40 8.95 2go9A1 ASP 128 HA 0.05 0.26 0.95 -0.75 4.63 5.14 2go9A1 ASP 128 HB2 0.04 -0.12 0.07 -0.04 2.71 2.66 2go9A1 ASP 128 HB3 0.00 0.03 -0.12 -0.04 2.70 2.58 2go9A1 VAL 129 H 0.00 0.74 0.31 -0.55 8.24 8.75 2go9A1 VAL 129 HA -0.00 -0.08 0.82 -0.75 4.13 4.10 2go9A1 VAL 129 HB 0.01 -0.00 0.16 -0.04 2.12 2.24 2go9A1 VAL 129 HG13 0.02 0.00 -0.14 -0.04 0.97 0.82 2go9A1 VAL 129 HG23 0.01 0.02 -0.11 -0.04 0.95 0.82 2go9A1 THR 130 H -0.03 0.18 0.00 -0.55 8.28 7.88 2go9A1 THR 130 HA -0.14 0.12 0.55 -0.75 4.39 4.17 2go9A1 THR 130 HB -0.10 0.05 0.02 -0.04 4.32 4.25 2go9A1 THR 130 HG23 0.04 0.01 -0.11 -0.04 1.22 1.13 2go9A1 SER 131 H -0.00 0.10 -0.20 -0.55 8.46 7.81 2go9A1 SER 131 HA 0.01 0.11 0.17 -0.75 4.49 4.03 2go9A1 SER 131 HB2 0.02 0.03 0.02 -0.04 3.95 3.98 2go9A1 SER 131 HB3 0.02 0.05 0.14 -0.04 3.93 4.10 2go9A1 LYS 132 H -0.01 0.56 -0.63 -0.55 8.42 7.79 2go9A1 LYS 132 HA 0.01 0.02 0.15 -0.75 4.32 3.75 2go9A1 LYS 132 HB2 0.01 0.02 0.00 -0.04 1.87 1.86 2go9A1 LYS 132 HB3 -0.01 0.10 0.05 -0.04 1.79 1.89 2go9A1 LYS 132 HG2 -0.02 0.15 0.06 -0.04 1.46 1.62 2go9A1 LYS 132 HG3 0.00 -0.11 0.02 -0.04 1.46 1.34 2go9A1 LYS 132 HD2 0.00 -0.04 -0.07 -0.04 1.69 1.55 2go9A1 LYS 132 HD3 -0.00 0.01 -0.02 -0.04 1.68 1.63 2go9A1 LYS 132 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.86 2go9A1 LYS 132 HE3 0.01 0.00 -0.20 -0.04 2.99 2.76 2go9A1 GLU 133 H 0.01 0.14 -0.30 -0.55 8.60 7.90 2go9A1 GLU 133 HA 0.02 0.10 0.45 -0.75 4.29 4.11 2go9A1 GLU 133 HB2 0.01 -0.01 0.10 -0.04 2.09 2.15 2go9A1 GLU 133 HB3 0.01 0.06 0.04 -0.04 1.99 2.05 2go9A1 GLU 133 HG2 0.01 0.01 0.03 -0.04 2.34 2.35 2go9A1 GLU 133 HG3 0.01 -0.00 0.03 -0.04 2.34 2.34 2go9A1 ASP 134 H 0.02 0.29 0.02 -0.55 8.40 8.19 2go9A1 ASP 134 HA 0.04 0.08 0.50 -0.75 4.63 4.50 2go9A1 ASP 134 HB2 0.03 0.08 0.13 -0.04 2.71 2.91 2go9A1 ASP 134 HB3 0.04 0.05 0.05 -0.04 2.70 2.80 2go9A1 ALA 135 H 0.03 0.30 -0.33 -0.55 8.40 7.86 2go9A1 ALA 135 HA 0.04 0.01 0.39 -0.75 4.34 4.02 2go9A1 ALA 135 HB3 0.01 0.03 -0.06 -0.04 1.41 1.35 2go9A1 ARG 136 H 0.04 0.45 -0.33 -0.55 8.46 8.07 2go9A1 ARG 136 HA 0.00 0.02 0.40 -0.75 4.34 4.00 2go9A1 ARG 136 HB2 0.04 0.19 0.14 -0.04 1.90 2.23 2go9A1 ARG 136 HB3 0.03 -0.04 0.05 -0.04 1.80 1.80 2go9A1 ARG 136 HG2 0.01 -0.04 0.05 -0.04 1.67 1.65 2go9A1 ARG 136 HG3 0.02 0.12 0.10 -0.04 1.67 1.87 2go9A1 ARG 136 HD2 0.02 -0.07 -0.03 -0.04 3.22 3.09 2go9A1 ARG 136 HD3 0.02 0.08 0.13 -0.04 3.22 3.41 2go9A1 TYR 137 H 0.16 0.24 -0.34 -0.55 8.29 7.80 2go9A1 TYR 137 HA -0.02 0.08 0.61 -0.75 4.56 4.48 2go9A1 TYR 137 HB2 -0.01 -0.01 0.09 -0.04 3.06 3.09 2go9A1 TYR 137 HB3 -0.01 0.16 0.20 -0.04 2.98 3.29 2go9A1 TYR 137 HD2 -0.01 0.02 -0.03 -0.04 7.15 7.09 2go9A1 TYR 137 HE2 -0.01 0.01 -0.04 -0.04 6.85 6.77 2go9A1 CYS 138 H 0.14 0.54 0.01 -0.55 8.50 8.64 2go9A1 CYS 138 HA -0.16 0.02 0.30 -0.75 4.58 3.99 2go9A1 CYS 138 HB2 0.10 0.06 0.04 -0.04 2.97 3.13 2go9A1 CYS 138 HB3 0.01 0.04 0.11 -0.04 2.97 3.09 2go9A1 VAL 139 H -0.07 0.66 -0.23 -0.55 8.24 8.06 2go9A1 VAL 139 HA -0.13 -0.03 0.18 -0.75 4.13 3.40 2go9A1 VAL 139 HB -0.10 0.02 -0.07 -0.04 2.12 1.92 2go9A1 VAL 139 HG13 -0.07 0.03 -0.01 -0.04 0.97 0.88 2go9A1 VAL 139 HG23 -0.16 -0.02 -0.27 -0.04 0.95 0.46 2go9A1 GLU 140 H -0.13 0.27 -0.28 -0.55 8.60 7.92 2go9A1 GLU 140 HA -0.11 0.01 0.25 -0.75 4.29 3.69 2go9A1 GLU 140 HB2 -0.10 0.14 0.18 -0.04 2.09 2.27 2go9A1 GLU 140 HB3 -0.21 0.09 0.13 -0.04 1.99 1.96 2go9A1 GLU 140 HG2 -0.07 -0.03 0.05 -0.04 2.34 2.24 2go9A1 GLU 140 HG3 -0.05 -0.02 0.04 -0.04 2.34 2.27 2go9A1 LYS 141 H -0.30 0.39 -0.26 -0.55 8.42 7.70 2go9A1 LYS 141 HA -0.16 0.03 0.36 -0.75 4.32 3.80 2go9A1 LYS 141 HB2 -0.41 0.08 0.10 -0.04 1.87 1.61 2go9A1 LYS 141 HB3 -0.16 -0.02 0.01 -0.04 1.79 1.58 2go9A1 LYS 141 HG2 -0.22 -0.01 0.00 -0.04 1.46 1.19 2go9A1 LYS 141 HG3 -0.27 -0.02 -0.02 -0.04 1.46 1.10 2go9A1 LYS 141 HD2 -0.05 -0.02 -0.05 -0.04 1.69 1.52 2go9A1 LYS 141 HD3 -0.07 0.02 -0.03 -0.04 1.68 1.56 2go9A1 LYS 141 HE2 0.02 -0.01 -0.02 -0.04 2.99 2.95 2go9A1 LYS 141 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.92 2go9A1 LEU 142 H -0.14 0.62 -0.06 -0.55 8.37 8.25 2go9A1 LEU 142 HA -0.08 -0.03 0.25 -0.75 4.35 3.75 2go9A1 LEU 142 HB2 -0.11 0.16 0.03 -0.04 1.64 1.68 2go9A1 LEU 142 HB3 -0.12 -0.08 -0.12 -0.04 1.64 1.27 2go9A1 LEU 142 HG -0.05 -0.05 -0.03 -0.04 1.64 1.47 2go9A1 LEU 142 HD13 -0.03 0.01 -0.08 -0.04 0.93 0.79 2go9A1 LEU 142 HD23 -0.05 -0.02 -0.11 -0.04 0.89 0.67 2go9A1 ASN 143 H -0.13 0.74 -0.22 -0.55 8.53 8.38 2go9A1 ASN 143 HA -0.14 -0.18 0.39 -0.75 4.76 4.08 2go9A1 ASN 143 HB2 -0.12 0.13 0.01 -0.04 2.88 2.86 2go9A1 ASN 143 HB3 -0.10 -0.03 0.01 -0.04 2.79 2.63 2go9A1 ASN 143 HD21 -0.14 0.05 0.27 -0.04 7.03 7.17 2go9A1 ASN 143 HD22 -0.22 0.20 0.21 -0.04 7.74 7.90 2go9A1 GLY 144 H -0.08 0.30 -0.67 -0.55 8.43 7.43 2go9A1 GLY 144 HA2 -0.05 0.10 0.50 -0.51 4.01 4.04 2go9A1 GLY 144 HA3 -0.06 -0.06 0.37 -0.51 4.01 3.75 2go9A1 LEU 145 H -0.05 0.36 0.01 -0.55 8.37 8.14 2go9A1 LEU 145 HA -0.02 0.11 0.75 -0.75 4.35 4.43 2go9A1 LEU 145 HB2 -0.03 0.02 0.04 -0.04 1.64 1.63 2go9A1 LEU 145 HB3 -0.03 0.07 0.12 -0.04 1.64 1.75 2go9A1 LEU 145 HG 0.01 -0.02 -0.35 -0.04 1.64 1.23 2go9A1 LEU 145 HD13 0.01 -0.02 0.06 -0.04 0.93 0.93 2go9A1 LEU 145 HD23 0.01 -0.02 -0.08 -0.04 0.89 0.77 2go9A1 LYS 146 H 0.00 0.22 0.14 -0.55 8.42 8.23 2go9A1 LYS 146 HA 0.02 0.37 0.82 -0.75 4.32 4.78 2go9A1 LYS 146 HB2 0.01 -0.02 0.08 -0.04 1.87 1.89 2go9A1 LYS 146 HB3 0.02 -0.11 -0.14 -0.04 1.79 1.51 2go9A1 LYS 146 HG2 -0.00 -0.04 -0.10 -0.04 1.46 1.28 2go9A1 LYS 146 HG3 -0.00 0.11 -0.19 -0.04 1.46 1.33 2go9A1 LYS 146 HD2 -0.02 0.08 -0.45 -0.04 1.69 1.27 2go9A1 LYS 146 HD3 -0.01 -0.03 -0.08 -0.04 1.68 1.52 2go9A1 LYS 146 HE2 -0.01 -0.06 -0.05 -0.04 2.99 2.83 2go9A1 LYS 146 HE3 -0.02 0.02 -0.09 -0.04 2.99 2.86 2go9A1 ILE 147 H 0.06 0.87 0.14 -0.55 8.25 8.77 2go9A1 ILE 147 HA 0.04 0.05 0.63 -0.75 4.18 4.15 2go9A1 ILE 147 HB 0.05 0.07 0.06 -0.04 1.89 2.03 2go9A1 ILE 147 HG12 0.04 -0.04 -0.59 -0.04 1.49 0.86 2go9A1 ILE 147 HG13 0.06 -0.01 -0.10 -0.04 1.21 1.11 2go9A1 ILE 147 HG23 0.04 -0.01 -0.07 -0.04 0.93 0.85 2go9A1 ILE 147 HD13 0.06 0.01 0.06 -0.04 0.88 0.97 2go9A1 GLU 148 H 0.03 0.20 0.08 -0.55 8.60 8.37 2go9A1 GLU 148 HA 0.03 0.05 0.31 -0.75 4.29 3.93 2go9A1 GLU 148 HB2 0.03 0.12 -0.11 -0.04 2.09 2.09 2go9A1 GLU 148 HB3 0.03 0.03 0.17 -0.04 1.99 2.17 2go9A1 GLU 148 HG2 0.02 0.02 0.06 -0.04 2.34 2.40 2go9A1 GLU 148 HG3 0.02 -0.05 -0.11 -0.04 2.34 2.16 2go9A1 GLY 149 H 0.05 0.01 -0.54 -0.55 8.43 7.41 2go9A1 GLY 149 HA2 0.03 -0.01 0.19 -0.51 4.01 3.71 2go9A1 GLY 149 HA3 0.05 0.11 0.46 -0.51 4.01 4.12 2go9A1 TYR 150 H 0.19 0.40 -0.41 -0.55 8.29 7.91 2go9A1 TYR 150 HA -0.01 0.05 0.65 -0.75 4.56 4.49 2go9A1 TYR 150 HB2 -0.00 0.04 0.11 -0.04 3.06 3.16 2go9A1 TYR 150 HB3 -0.01 -0.00 -0.12 -0.04 2.98 2.80 2go9A1 TYR 150 HD2 -0.00 0.08 -0.01 -0.04 7.15 7.18 2go9A1 TYR 150 HE2 0.01 -0.05 0.03 -0.04 6.85 6.80 2go9A1 THR 151 H -0.16 0.15 0.18 -0.55 8.28 7.91 2go9A1 THR 151 HA -0.00 0.27 0.90 -0.75 4.39 4.80 2go9A1 THR 151 HB -0.06 0.14 0.04 -0.04 4.32 4.40 2go9A1 THR 151 HG23 -0.05 -0.01 0.03 -0.04 1.22 1.15 2go9A1 LEU 152 H 0.01 0.54 0.14 -0.55 8.37 8.51 2go9A1 LEU 152 HA 0.06 0.09 0.64 -0.75 4.35 4.38 2go9A1 LEU 152 HB2 -0.03 -0.01 0.04 -0.04 1.64 1.60 2go9A1 LEU 152 HB3 -0.07 -0.01 -0.12 -0.04 1.64 1.39 2go9A1 LEU 152 HG -0.07 -0.06 -0.09 -0.04 1.64 1.39 2go9A1 LEU 152 HD13 -0.02 0.04 -0.14 -0.04 0.93 0.76 2go9A1 LEU 152 HD23 0.03 -0.00 -0.17 -0.04 0.89 0.71 2go9A1 VAL 153 H -0.07 0.11 0.11 -0.55 8.24 7.85 2go9A1 VAL 153 HA -0.16 0.22 0.76 -0.75 4.13 4.20 2go9A1 VAL 153 HB -0.14 -0.28 0.17 -0.04 2.12 1.83 2go9A1 VAL 153 HG13 -0.22 0.02 -0.03 -0.04 0.97 0.69 2go9A1 VAL 153 HG23 -0.07 0.09 -0.17 -0.04 0.95 0.76 2go9A1 THR 154 H -0.27 0.38 0.16 -0.55 8.28 8.00 2go9A1 THR 154 HA -0.55 0.22 0.84 -0.75 4.39 4.14 2go9A1 THR 154 HB -0.25 0.01 -0.09 -0.04 4.32 3.94 2go9A1 THR 154 HG23 -0.29 0.01 -0.14 -0.04 1.22 0.76 2go9A1 LYS 155 H -0.86 0.48 0.38 -0.55 8.42 7.87 2go9A1 LYS 155 HA -0.34 0.12 0.33 -0.75 4.32 3.67 2go9A1 LYS 155 HB2 -0.98 0.05 -0.10 -0.04 1.87 0.79 2go9A1 LYS 155 HB3 -1.02 0.01 0.01 -0.04 1.79 0.74 2go9A1 LYS 155 HG2 0.22 -0.01 -0.09 -0.04 1.46 1.54 2go9A1 LYS 155 HG3 -0.05 -0.11 -0.03 -0.04 1.46 1.23 2go9A1 LYS 155 HD2 -0.04 0.01 -0.03 -0.04 1.69 1.59 2go9A1 LYS 155 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 2go9A1 LYS 155 HE2 -0.13 -0.07 0.05 -0.04 2.99 2.80 2go9A1 LYS 155 HE3 -0.28 0.29 0.30 -0.04 2.99 3.26 2go9A1 VAL 156 H -0.10 0.21 -0.07 -0.55 8.24 7.73 2go9A1 VAL 156 HA 0.00 0.29 0.61 -0.75 4.13 4.28 2go9A1 VAL 156 HB -0.02 -0.02 0.10 -0.04 2.12 2.14 2go9A1 VAL 156 HG13 0.02 0.00 -0.18 -0.04 0.97 0.78 2go9A1 VAL 156 HG23 -0.06 -0.01 -0.21 -0.04 0.95 0.62 2go9A1 SER 157 H 0.27 0.43 0.08 -0.55 8.46 8.70 2go9A1 SER 157 HA 0.13 0.07 0.26 -0.75 4.49 4.20 2go9A1 SER 157 HB2 0.11 -0.07 0.18 -0.04 3.95 4.13 2go9A1 SER 157 HB3 0.10 0.19 0.17 -0.04 3.93 4.35 2go9A1 ASN 158 H 0.11 0.13 0.07 -0.55 8.53 8.30 2go9A1 ASN 158 HA 0.06 0.20 0.43 -0.75 4.76 4.70 2go9A1 ASN 158 HB2 0.07 -0.02 -0.14 -0.04 2.88 2.75 2go9A1 ASN 158 HB3 0.03 -0.01 0.15 -0.04 2.79 2.92 2go9A1 ASN 158 HD21 0.03 0.04 -0.01 -0.04 7.03 7.05 2go9A1 ASN 158 HD22 0.01 -0.06 -0.03 -0.04 7.74 7.62 2go9A1 PRO 159 HA -0.20 0.13 0.21 -0.51 4.44 4.06 2go9A1 PRO 159 HB2 -0.73 0.04 0.13 -0.04 2.28 1.69 2go9A1 PRO 159 HB3 -1.61 0.05 0.01 -0.04 2.02 0.43 2go9A1 PRO 159 HG2 -0.39 -0.02 -0.06 -0.04 2.03 1.51 2go9A1 PRO 159 HG3 -0.98 0.05 -0.02 -0.04 2.03 1.04 2go9A1 PRO 159 HD2 -0.16 0.00 0.13 -0.04 3.68 3.62 2go9A1 PRO 159 HD3 -0.37 0.41 0.21 -0.04 3.65 3.86 2go9A1 LEU 160 H -0.07 0.37 -0.15 -0.55 8.37 7.97 2go9A1 LEU 160 HA -0.07 0.16 0.39 -0.75 4.35 4.08 2go9A1 LEU 160 HB2 -0.04 -0.04 0.04 -0.04 1.64 1.55 2go9A1 LEU 160 HB3 -0.08 0.15 0.07 -0.04 1.64 1.74 2go9A1 LEU 160 HG -0.06 -0.02 -0.13 -0.04 1.64 1.39 2go9A1 LEU 160 HD13 -0.12 0.01 -0.36 -0.04 0.93 0.41 2go9A1 LEU 160 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.73 2go9A1 GLU 161 H -0.03 0.02 0.07 -0.55 8.60 8.11 2go9A1 GLU 161 HA -0.03 -0.16 0.55 -0.75 4.29 3.90 2go9A1 GLU 161 HB2 -0.04 0.01 0.01 -0.04 2.09 2.03 2go9A1 GLU 161 HB3 -0.02 -0.05 0.14 -0.04 1.99 2.03 2go9A1 GLU 161 HG2 0.00 0.04 0.12 -0.04 2.34 2.46 2go9A1 GLU 161 HG3 -0.03 0.04 0.06 -0.04 2.34 2.37