============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 7 0.900 8.871 20.520 -18.941 -99.200 -91.000 TYR 10 0.840 5.833 11.299 -13.502 -99.200 -91.000 TYR 12 0.840 0.387 11.082 -10.875 -99.200 -91.000 HIS 21 0.900 3.089 15.569 10.100 -99.200 -91.000 PHE 33 1.000 -0.097 8.917 0.708 -99.200 -91.000 HIS 43 0.900 -13.816 8.899 -0.384 -99.200 -91.000 TRP 44 1.040 -9.100 2.513 0.884 -99.200 -91.000 TRP6 44 1.020 -7.149 1.679 1.915 -99.200 -91.000 HIS 56 0.900 -12.513 1.363 3.707 -99.200 -91.000 PHE 78 1.000 3.433 -9.241 11.909 -99.200 -91.000 TYR 106 0.840 5.273 3.441 -5.876 -99.200 -91.000 HIS 127 0.900 -8.852 17.927 17.017 -99.200 -91.000 HIS 128 0.900 -9.926 14.482 23.480 -99.200 -91.000 HIS 129 0.900 -15.302 15.071 17.455 -99.200 -91.000 HIS 130 0.900 -17.883 9.020 15.361 -99.200 -91.000 HIS 131 0.900 -15.320 8.505 22.762 -99.200 -91.000 HIS 132 0.900 -11.283 3.333 17.339 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gm2A12 MET 1 HA -0.01 -0.02 0.18 -0.75 4.52 3.91 2gm2A12 MET 1 HB2 -0.01 0.02 -0.06 -0.04 2.15 2.05 2gm2A12 MET 1 HB3 -0.01 -0.02 0.02 -0.04 2.03 1.98 2gm2A12 MET 1 HG2 -0.01 -0.06 -0.27 -0.04 2.63 2.25 2gm2A12 MET 1 HG3 -0.01 0.01 -0.08 -0.04 2.56 2.44 2gm2A12 MET 1 HE3 -0.01 -0.00 -0.00 -0.04 2.10 2.04 2gm2A12 PRO 2 HA -0.01 0.12 0.62 -0.51 4.44 4.66 2gm2A12 PRO 2 HB2 -0.01 -0.06 0.14 -0.04 2.28 2.30 2gm2A12 PRO 2 HB3 -0.01 0.05 0.07 -0.04 2.02 2.08 2gm2A12 PRO 2 HG2 -0.01 0.00 0.11 -0.04 2.03 2.09 2gm2A12 PRO 2 HG3 -0.01 0.05 0.05 -0.04 2.03 2.08 2gm2A12 PRO 2 HD2 -0.02 0.07 0.14 -0.04 3.68 3.83 2gm2A12 PRO 2 HD3 -0.01 0.14 0.15 -0.04 3.65 3.88 2gm2A12 LEU 3 H -0.01 0.31 0.06 -0.55 8.37 8.18 2gm2A12 LEU 3 HA -0.00 0.12 0.61 -0.75 4.35 4.31 2gm2A12 LEU 3 HB2 -0.00 0.05 0.03 -0.04 1.64 1.67 2gm2A12 LEU 3 HB3 -0.00 0.00 0.18 -0.04 1.64 1.78 2gm2A12 LEU 3 HG 0.00 0.01 -0.10 -0.04 1.64 1.50 2gm2A12 LEU 3 HD13 0.00 0.00 -0.08 -0.04 0.93 0.81 2gm2A12 LEU 3 HD23 0.00 -0.01 -0.00 -0.04 0.89 0.84 2gm2A12 ASN 4 H -0.01 0.43 -0.14 -0.55 8.53 8.27 2gm2A12 ASN 4 HA -0.00 0.16 0.65 -0.75 4.76 4.81 2gm2A12 ASN 4 HB2 -0.01 -0.02 -0.07 -0.04 2.88 2.74 2gm2A12 ASN 4 HB3 -0.01 -0.02 0.10 -0.04 2.79 2.82 2gm2A12 ASN 4 HD21 -0.01 -0.00 -0.03 -0.04 7.03 6.95 2gm2A12 ASN 4 HD22 -0.01 -0.01 -0.06 -0.04 7.74 7.62 2gm2A12 GLN 5 H -0.01 0.09 0.07 -0.55 8.47 8.08 2gm2A12 GLN 5 HA 0.00 0.13 0.71 -0.75 4.36 4.45 2gm2A12 GLN 5 HB2 -0.01 -0.06 0.10 -0.04 2.15 2.13 2gm2A12 GLN 5 HB3 -0.01 0.16 -0.05 -0.04 2.02 2.08 2gm2A12 GLN 5 HG2 -0.01 0.05 -0.07 -0.04 2.40 2.33 2gm2A12 GLN 5 HG3 -0.01 -0.09 -0.02 -0.04 2.39 2.23 2gm2A12 GLN 5 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.89 2gm2A12 GLN 5 HE22 -0.01 -0.02 -0.01 -0.04 7.69 7.61 2gm2A12 GLU 6 H 0.02 0.17 0.12 -0.55 8.60 8.36 2gm2A12 GLU 6 HA 0.03 0.07 0.61 -0.75 4.29 4.26 2gm2A12 GLU 6 HB2 0.02 0.04 0.04 -0.04 2.09 2.15 2gm2A12 GLU 6 HB3 0.04 0.01 0.05 -0.04 1.99 2.05 2gm2A12 GLU 6 HG2 0.02 0.00 -0.01 -0.04 2.34 2.32 2gm2A12 GLU 6 HG3 0.05 0.02 -0.08 -0.04 2.34 2.29 2gm2A12 HIS 7 H 0.09 0.06 0.09 -0.55 8.41 8.10 2gm2A12 HIS 7 HA 0.01 0.01 0.39 -0.75 4.63 4.27 2gm2A12 HIS 7 HB2 0.01 -0.08 -0.00 -0.04 3.26 3.15 2gm2A12 HIS 7 HB3 0.01 0.21 0.31 -0.04 3.20 3.69 2gm2A12 HIS 7 HD2 0.02 -0.00 -0.04 -0.04 6.97 6.90 2gm2A12 HIS 7 HE1 0.02 -0.05 -0.01 -0.04 7.75 7.67 2gm2A12 PRO 8 HA -0.06 0.10 0.26 -0.51 4.44 4.23 2gm2A12 PRO 8 HB2 -0.04 -0.01 0.15 -0.04 2.28 2.35 2gm2A12 PRO 8 HB3 -0.02 0.04 0.09 -0.04 2.02 2.09 2gm2A12 PRO 8 HG2 0.01 0.11 -0.06 -0.04 2.03 2.05 2gm2A12 PRO 8 HG3 0.00 0.02 0.05 -0.04 2.03 2.06 2gm2A12 PRO 8 HD2 0.13 0.08 0.13 -0.04 3.68 3.98 2gm2A12 PRO 8 HD3 0.05 0.04 0.16 -0.04 3.65 3.86 2gm2A12 ASP 9 H -0.05 0.07 0.13 -0.55 8.40 8.00 2gm2A12 ASP 9 HA -0.05 0.23 0.70 -0.75 4.63 4.76 2gm2A12 ASP 9 HB2 -0.03 0.08 0.07 -0.04 2.71 2.79 2gm2A12 ASP 9 HB3 -0.02 -0.01 0.09 -0.04 2.70 2.71 2gm2A12 TYR 10 H 0.14 0.16 0.11 -0.55 8.29 8.15 2gm2A12 TYR 10 HA 0.05 0.16 0.41 -0.75 4.56 4.43 2gm2A12 TYR 10 HB2 0.04 0.04 0.10 -0.04 3.06 3.20 2gm2A12 TYR 10 HB3 0.05 -0.02 -0.06 -0.04 2.98 2.91 2gm2A12 TYR 10 HD2 0.12 0.02 -0.07 -0.04 7.15 7.18 2gm2A12 TYR 10 HE2 0.10 0.02 0.06 -0.04 6.85 6.99 2gm2A12 THR 11 H 0.06 -0.01 -0.40 -0.55 8.28 7.38 2gm2A12 THR 11 HA -0.06 -0.03 0.26 -0.75 4.39 3.81 2gm2A12 THR 11 HB -0.26 -0.04 -0.01 -0.04 4.32 3.98 2gm2A12 THR 11 HG23 -0.11 0.07 -0.15 -0.04 1.22 0.99 2gm2A12 TYR 12 H 0.03 0.80 -0.30 -0.55 8.29 8.27 2gm2A12 TYR 12 HA 0.08 0.07 0.59 -0.75 4.56 4.55 2gm2A12 TYR 12 HB2 0.30 0.03 0.18 -0.04 3.06 3.54 2gm2A12 TYR 12 HB3 0.20 -0.02 0.08 -0.04 2.98 3.19 2gm2A12 TYR 12 HD2 -0.22 0.06 0.04 -0.04 7.15 6.98 2gm2A12 TYR 12 HE2 -0.08 -0.02 -0.02 -0.04 6.85 6.69 2gm2A12 ALA 13 H 0.11 0.49 0.01 -0.55 8.40 8.47 2gm2A12 ALA 13 HA 0.15 0.12 0.56 -0.75 4.34 4.42 2gm2A12 ALA 13 HB3 0.10 0.02 -0.18 -0.04 1.41 1.30 2gm2A12 LEU 14 H 0.10 0.21 0.02 -0.55 8.37 8.16 2gm2A12 LEU 14 HA 0.05 0.09 0.82 -0.75 4.35 4.56 2gm2A12 LEU 14 HB2 0.09 0.01 0.02 -0.04 1.64 1.71 2gm2A12 LEU 14 HB3 0.08 0.03 0.14 -0.04 1.64 1.84 2gm2A12 LEU 14 HG 0.07 -0.02 -0.25 -0.04 1.64 1.40 2gm2A12 LEU 14 HD13 0.10 0.02 -0.13 -0.04 0.93 0.88 2gm2A12 LEU 14 HD23 0.10 -0.01 -0.07 -0.04 0.89 0.87 2gm2A12 ARG 15 H 0.02 0.38 0.41 -0.55 8.46 8.72 2gm2A12 ARG 15 HA 0.03 0.06 0.27 -0.75 4.34 3.95 2gm2A12 ARG 15 HB2 0.01 -0.08 0.13 -0.04 1.90 1.92 2gm2A12 ARG 15 HB3 0.01 0.09 0.12 -0.04 1.80 1.98 2gm2A12 ARG 15 HG2 0.01 -0.01 -0.06 -0.04 1.67 1.57 2gm2A12 ARG 15 HG3 0.01 -0.01 0.05 -0.04 1.67 1.68 2gm2A12 ARG 15 HD2 -0.00 0.11 0.00 -0.04 3.22 3.29 2gm2A12 ARG 15 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.15 2gm2A12 ALA 16 H 0.03 0.39 0.14 -0.55 8.40 8.41 2gm2A12 ALA 16 HA 0.03 0.16 0.54 -0.75 4.34 4.31 2gm2A12 ALA 16 HB3 0.02 0.02 -0.07 -0.04 1.41 1.34 2gm2A12 ALA 17 H 0.04 0.27 0.03 -0.55 8.40 8.19 2gm2A12 ALA 17 HA 0.07 0.16 0.72 -0.75 4.34 4.53 2gm2A12 ALA 17 HB3 0.06 0.03 -0.06 -0.04 1.41 1.41 2gm2A12 ASP 18 H 0.08 0.53 0.22 -0.55 8.40 8.68 2gm2A12 ASP 18 HA 0.04 0.23 0.69 -0.75 4.63 4.83 2gm2A12 ASP 18 HB2 0.06 0.06 0.18 -0.04 2.71 2.97 2gm2A12 ASP 18 HB3 0.06 0.05 0.06 -0.04 2.70 2.84 2gm2A12 GLY 19 H 0.04 0.17 -0.27 -0.55 8.43 7.82 2gm2A12 GLY 19 HA2 0.01 -0.01 0.22 -0.51 4.01 3.72 2gm2A12 GLY 19 HA3 0.00 0.27 0.78 -0.51 4.01 4.56 2gm2A12 ARG 20 H -0.02 0.10 -0.39 -0.55 8.46 7.59 2gm2A12 ARG 20 HA -0.11 0.12 0.97 -0.75 4.34 4.58 2gm2A12 ARG 20 HB2 -0.21 -0.01 0.01 -0.04 1.90 1.65 2gm2A12 ARG 20 HB3 -0.30 0.06 0.08 -0.04 1.80 1.59 2gm2A12 ARG 20 HG2 -0.07 0.09 0.03 -0.04 1.67 1.67 2gm2A12 ARG 20 HG3 -0.05 -0.04 -0.11 -0.04 1.67 1.43 2gm2A12 ARG 20 HD2 -0.06 0.02 0.01 -0.04 3.22 3.15 2gm2A12 ARG 20 HD3 -0.03 0.02 0.01 -0.04 3.22 3.18 2gm2A12 HIS 21 H 0.01 -0.10 0.02 -0.55 8.41 7.79 2gm2A12 HIS 21 HA 0.04 0.30 0.63 -0.75 4.63 4.85 2gm2A12 HIS 21 HB2 0.02 -0.09 -0.06 -0.04 3.26 3.09 2gm2A12 HIS 21 HB3 0.01 0.06 -0.12 -0.04 3.20 3.11 2gm2A12 HIS 21 HD2 0.01 -0.04 -0.11 -0.04 6.97 6.79 2gm2A12 HIS 21 HE1 0.02 0.02 -0.07 -0.04 7.75 7.67 2gm2A12 ALA 22 H 0.12 0.45 -0.02 -0.55 8.40 8.41 2gm2A12 ALA 22 HA 0.10 0.09 1.01 -0.75 4.34 4.79 2gm2A12 ALA 22 HB3 0.19 0.03 0.03 -0.04 1.41 1.62 2gm2A12 LYS 23 H 0.04 0.74 0.13 -0.55 8.42 8.77 2gm2A12 LYS 23 HA -0.02 0.21 0.58 -0.75 4.32 4.33 2gm2A12 LYS 23 HB2 0.01 -0.04 -0.16 -0.04 1.87 1.63 2gm2A12 LYS 23 HB3 0.01 -0.10 0.12 -0.04 1.79 1.79 2gm2A12 LYS 23 HG2 -0.01 -0.01 -0.12 -0.04 1.46 1.28 2gm2A12 LYS 23 HG3 -0.01 -0.01 -0.34 -0.04 1.46 1.06 2gm2A12 LYS 23 HD2 -0.03 0.19 -0.26 -0.04 1.69 1.55 2gm2A12 LYS 23 HD3 -0.03 0.01 -0.53 -0.04 1.68 1.08 2gm2A12 LYS 23 HE2 -0.04 0.03 -0.21 -0.04 2.99 2.72 2gm2A12 LYS 23 HE3 -0.02 -0.09 -0.21 -0.04 2.99 2.62 2gm2A12 VAL 24 H -0.09 0.70 0.20 -0.55 8.24 8.51 2gm2A12 VAL 24 HA -0.03 0.10 1.09 -0.75 4.13 4.54 2gm2A12 VAL 24 HB -0.15 0.01 0.25 -0.04 2.12 2.19 2gm2A12 VAL 24 HG13 -0.06 0.02 -0.01 -0.04 0.97 0.87 2gm2A12 VAL 24 HG23 -0.24 -0.00 -0.08 -0.04 0.95 0.59 2gm2A12 ASN 25 H -0.01 0.22 0.12 -0.55 8.53 8.31 2gm2A12 ASN 25 HA -0.02 0.05 0.37 -0.75 4.76 4.41 2gm2A12 ASN 25 HB2 -0.05 0.07 0.35 -0.04 2.88 3.21 2gm2A12 ASN 25 HB3 -0.03 0.02 0.18 -0.04 2.79 2.92 2gm2A12 ASN 25 HD21 -0.07 -0.02 0.01 -0.04 7.03 6.91 2gm2A12 ASN 25 HD22 -0.08 0.13 0.10 -0.04 7.74 7.86 2gm2A12 GLU 26 H -0.04 0.18 0.29 -0.55 8.60 8.49 2gm2A12 GLU 26 HA -0.03 0.20 0.80 -0.75 4.29 4.51 2gm2A12 GLU 26 HB2 -0.03 0.01 0.06 -0.04 2.09 2.08 2gm2A12 GLU 26 HB3 -0.03 -0.00 0.14 -0.04 1.99 2.05 2gm2A12 GLU 26 HG2 -0.02 0.01 -0.01 -0.04 2.34 2.27 2gm2A12 GLU 26 HG3 -0.02 0.07 -0.07 -0.04 2.34 2.27 2gm2A12 GLN 27 H -0.05 0.53 0.10 -0.55 8.47 8.50 2gm2A12 GLN 27 HA -0.05 0.11 0.76 -0.75 4.36 4.42 2gm2A12 GLN 27 HB2 -0.09 0.15 0.27 -0.04 2.15 2.44 2gm2A12 GLN 27 HB3 -0.08 -0.01 -0.01 -0.04 2.02 1.88 2gm2A12 GLN 27 HG2 -0.06 0.02 0.03 -0.04 2.40 2.34 2gm2A12 GLN 27 HG3 -0.05 0.03 -0.00 -0.04 2.39 2.32 2gm2A12 GLN 27 HE21 -0.04 0.05 -0.04 -0.04 6.97 6.90 2gm2A12 GLN 27 HE22 -0.04 -0.01 0.00 -0.04 7.69 7.60 2gm2A12 ILE 28 H -0.04 0.21 0.12 -0.55 8.25 7.99 2gm2A12 ILE 28 HA -0.03 0.30 0.79 -0.75 4.18 4.50 2gm2A12 ILE 28 HB -0.02 -0.00 0.15 -0.04 1.89 1.98 2gm2A12 ILE 28 HG12 -0.04 -0.02 -0.24 -0.04 1.49 1.15 2gm2A12 ILE 28 HG13 -0.05 0.10 -0.10 -0.04 1.21 1.11 2gm2A12 ILE 28 HG23 0.05 -0.03 -0.24 -0.04 0.93 0.66 2gm2A12 ILE 28 HD13 -0.13 -0.00 -0.07 -0.04 0.88 0.63 2gm2A12 LEU 29 H -0.10 0.66 0.27 -0.55 8.37 8.65 2gm2A12 LEU 29 HA -0.04 0.09 0.78 -0.75 4.35 4.42 2gm2A12 LEU 29 HB2 -0.47 -0.00 0.14 -0.04 1.64 1.26 2gm2A12 LEU 29 HB3 -0.19 0.01 -0.06 -0.04 1.64 1.36 2gm2A12 LEU 29 HG -0.31 0.06 -0.07 -0.04 1.64 1.28 2gm2A12 LEU 29 HD13 -0.95 0.01 -0.04 -0.04 0.93 -0.10 2gm2A12 LEU 29 HD23 -0.12 0.02 -0.07 -0.04 0.89 0.67 2gm2A12 GLN 30 H 0.05 0.20 0.14 -0.55 8.47 8.32 2gm2A12 GLN 30 HA 0.09 0.11 0.47 -0.75 4.36 4.26 2gm2A12 GLN 30 HB2 0.07 -0.01 0.04 -0.04 2.15 2.21 2gm2A12 GLN 30 HB3 0.06 0.05 0.13 -0.04 2.02 2.22 2gm2A12 GLN 30 HG2 0.36 -0.06 -0.13 -0.04 2.40 2.53 2gm2A12 GLN 30 HG3 0.11 0.17 -0.12 -0.04 2.39 2.51 2gm2A12 GLN 30 HE21 0.13 -0.01 -0.02 -0.04 6.97 7.02 2gm2A12 GLN 30 HE22 0.17 -0.05 -0.05 -0.04 7.69 7.72 2gm2A12 GLN 31 H 0.12 -0.05 -0.32 -0.55 8.47 7.68 2gm2A12 GLN 31 HA 0.05 0.58 0.99 -0.75 4.36 5.22 2gm2A12 GLN 31 HB2 0.05 -0.19 0.19 -0.04 2.15 2.16 2gm2A12 GLN 31 HB3 0.01 0.04 0.16 -0.04 2.02 2.20 2gm2A12 GLN 31 HG2 0.01 0.26 0.04 -0.04 2.40 2.67 2gm2A12 GLN 31 HG3 0.03 -0.17 -0.34 -0.04 2.39 1.87 2gm2A12 GLN 31 HE21 -0.02 0.58 0.31 -0.04 6.97 7.80 2gm2A12 GLN 31 HE22 -0.03 -0.10 0.14 -0.04 7.69 7.66 2gm2A12 SER 32 H 0.12 0.07 0.17 -0.55 8.46 8.27 2gm2A12 SER 32 HA 0.14 0.42 0.94 -0.75 4.49 5.24 2gm2A12 SER 32 HB2 0.12 -0.11 0.07 -0.04 3.95 3.99 2gm2A12 SER 32 HB3 0.16 0.17 0.12 -0.04 3.93 4.33 2gm2A12 PHE 33 H 0.05 0.61 0.38 -0.55 8.34 8.81 2gm2A12 PHE 33 HA 0.13 0.08 0.29 -0.75 4.62 4.37 2gm2A12 PHE 33 HB2 0.04 0.05 0.12 -0.04 3.15 3.32 2gm2A12 PHE 33 HB3 0.06 0.11 0.18 -0.04 3.06 3.37 2gm2A12 PHE 33 HD2 0.02 -0.00 -0.39 -0.04 7.28 6.87 2gm2A12 PHE 33 HE2 -0.01 0.00 -0.13 -0.04 7.38 7.21 2gm2A12 PHE 33 HZ -0.01 -0.05 -0.09 -0.04 7.32 7.13 2gm2A12 ILE 34 H 0.12 0.53 0.25 -0.55 8.25 8.59 2gm2A12 ILE 34 HA -0.23 0.37 1.15 -0.75 4.18 4.72 2gm2A12 ILE 34 HB -0.20 -0.01 0.05 -0.04 1.89 1.69 2gm2A12 ILE 34 HG12 -0.36 -0.03 -0.14 -0.04 1.49 0.92 2gm2A12 ILE 34 HG13 -0.22 -0.07 -0.30 -0.04 1.21 0.59 2gm2A12 ILE 34 HG23 -0.22 0.00 -0.35 -0.04 0.93 0.32 2gm2A12 ILE 34 HD13 -1.32 0.01 -0.14 -0.04 0.88 -0.62 2gm2A12 LEU 35 H -0.18 0.62 0.30 -0.55 8.37 8.57 2gm2A12 LEU 35 HA 0.04 0.17 1.10 -0.75 4.35 4.90 2gm2A12 LEU 35 HB2 0.09 -0.04 -0.02 -0.04 1.64 1.62 2gm2A12 LEU 35 HB3 -0.34 -0.03 0.17 -0.04 1.64 1.40 2gm2A12 LEU 35 HG -0.11 0.07 -0.25 -0.04 1.64 1.31 2gm2A12 LEU 35 HD13 0.17 0.01 -0.02 -0.04 0.93 1.05 2gm2A12 LEU 35 HD23 -0.10 -0.02 -0.11 -0.04 0.89 0.62 2gm2A12 MET 36 H 0.02 0.72 0.36 -0.55 8.47 9.02 2gm2A12 MET 36 HA 0.16 0.29 0.97 -0.75 4.52 5.18 2gm2A12 MET 36 HB2 -0.02 0.01 0.04 -0.04 2.15 2.15 2gm2A12 MET 36 HB3 0.01 0.10 0.11 -0.04 2.03 2.20 2gm2A12 MET 36 HG2 -0.01 0.07 0.03 -0.04 2.63 2.68 2gm2A12 MET 36 HG3 -0.05 -0.15 -0.39 -0.04 2.56 1.93 2gm2A12 MET 36 HE3 -0.03 0.04 -0.19 -0.04 2.10 1.88 2gm2A12 PRO 37 HA 0.04 -0.01 0.43 -0.51 4.44 4.39 2gm2A12 PRO 37 HB2 -0.02 0.04 0.19 -0.04 2.28 2.44 2gm2A12 PRO 37 HB3 -0.03 0.06 0.13 -0.04 2.02 2.13 2gm2A12 PRO 37 HG2 -0.02 0.12 0.15 -0.04 2.03 2.23 2gm2A12 PRO 37 HG3 -0.05 0.01 0.17 -0.04 2.03 2.11 2gm2A12 PRO 37 HD2 0.02 0.11 0.25 -0.04 3.68 4.01 2gm2A12 PRO 37 HD3 0.13 0.30 0.35 -0.04 3.65 4.39 2gm2A12 ASP 38 H -0.12 0.14 0.30 -0.55 8.40 8.17 2gm2A12 ASP 38 HA -0.79 -0.03 0.35 -0.75 4.63 3.41 2gm2A12 ASP 38 HB2 -0.11 0.25 -0.04 -0.04 2.71 2.77 2gm2A12 ASP 38 HB3 -0.19 -0.04 0.24 -0.04 2.70 2.67 2gm2A12 GLU 39 H -0.16 0.61 -0.50 -0.55 8.60 8.00 2gm2A12 GLU 39 HA -0.06 0.15 0.87 -0.75 4.29 4.50 2gm2A12 GLU 39 HB2 -0.05 0.16 -0.34 -0.04 2.09 1.82 2gm2A12 GLU 39 HB3 -0.03 -0.12 -0.04 -0.04 1.99 1.76 2gm2A12 GLU 39 HG2 -0.03 0.01 -0.11 -0.04 2.34 2.17 2gm2A12 GLU 39 HG3 -0.02 -0.02 -0.12 -0.04 2.34 2.14 2gm2A12 LEU 40 H 0.11 0.22 0.05 -0.55 8.37 8.20 2gm2A12 LEU 40 HA 0.12 0.15 1.01 -0.75 4.35 4.87 2gm2A12 LEU 40 HB2 0.43 -0.01 0.01 -0.04 1.64 2.03 2gm2A12 LEU 40 HB3 0.20 0.00 0.14 -0.04 1.64 1.94 2gm2A12 LEU 40 HG 0.10 -0.02 -0.31 -0.04 1.64 1.37 2gm2A12 LEU 40 HD13 0.16 0.02 -0.03 -0.04 0.93 1.04 2gm2A12 LEU 40 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.80 2gm2A12 VAL 41 H 0.06 0.70 0.28 -0.55 8.24 8.73 2gm2A12 VAL 41 HA 0.03 0.15 0.81 -0.75 4.13 4.37 2gm2A12 VAL 41 HB -0.07 -0.13 0.21 -0.04 2.12 2.09 2gm2A12 VAL 41 HG13 -0.11 0.00 -0.20 -0.04 0.97 0.63 2gm2A12 VAL 41 HG23 -0.08 0.03 -0.17 -0.04 0.95 0.68 2gm2A12 GLU 42 H 0.08 0.28 0.15 -0.55 8.60 8.56 2gm2A12 GLU 42 HA 0.15 0.10 0.84 -0.75 4.29 4.63 2gm2A12 GLU 42 HB2 0.07 0.02 -0.03 -0.04 2.09 2.11 2gm2A12 GLU 42 HB3 0.09 0.05 0.04 -0.04 1.99 2.12 2gm2A12 GLU 42 HG2 0.09 -0.02 0.09 -0.04 2.34 2.45 2gm2A12 GLU 42 HG3 0.05 0.01 0.00 -0.04 2.34 2.36 2gm2A12 HIS 43 H 0.19 0.10 0.08 -0.55 8.41 8.23 2gm2A12 HIS 43 HA 0.11 -0.06 0.36 -0.75 4.63 4.28 2gm2A12 HIS 43 HB2 0.06 -0.05 -0.06 -0.04 3.26 3.17 2gm2A12 HIS 43 HB3 0.08 0.32 0.30 -0.04 3.20 3.85 2gm2A12 HIS 43 HD2 0.08 0.04 0.06 -0.04 6.97 7.10 2gm2A12 HIS 43 HE1 0.04 -0.02 -0.01 -0.04 7.75 7.72 2gm2A12 TRP 44 H 0.11 0.06 -0.12 -0.55 7.97 7.47 2gm2A12 TRP 44 HA -0.20 0.15 0.33 -0.75 4.62 4.15 2gm2A12 TRP 44 HB2 -0.07 0.20 -0.31 -0.04 3.23 3.01 2gm2A12 TRP 44 HB3 -0.03 -0.08 -0.10 -0.04 3.23 2.98 2gm2A12 TRP 44 HD1 -0.33 0.06 0.01 -0.04 7.22 6.92 2gm2A12 TRP 44 HE1 -0.47 0.48 0.07 -0.04 10.20 10.23 2gm2A12 TRP 44 HE3 -0.03 -0.04 -0.13 -0.04 7.59 7.34 2gm2A12 TRP 44 HZ2 -0.04 -0.08 -0.16 -0.04 7.44 7.12 2gm2A12 TRP 44 HZ3 -0.05 0.01 -0.17 -0.04 7.13 6.87 2gm2A12 TRP 44 HH2 -0.02 -0.04 -0.14 -0.04 7.19 6.95 2gm2A12 PRO 45 HA -0.12 -0.01 0.32 -0.51 4.44 4.12 2gm2A12 PRO 45 HB2 -0.23 0.04 0.19 -0.04 2.28 2.24 2gm2A12 PRO 45 HB3 -0.13 0.03 0.10 -0.04 2.02 1.98 2gm2A12 PRO 45 HG2 -0.11 0.07 0.07 -0.04 2.03 2.01 2gm2A12 PRO 45 HG3 -0.12 0.01 0.06 -0.04 2.03 1.93 2gm2A12 PRO 45 HD2 -0.02 0.15 0.08 -0.04 3.68 3.85 2gm2A12 PRO 45 HD3 -0.36 0.12 -0.04 -0.04 3.65 3.33 2gm2A12 VAL 46 H -0.20 0.21 0.15 -0.55 8.24 7.85 2gm2A12 VAL 46 HA -0.32 0.11 0.43 -0.75 4.13 3.59 2gm2A12 VAL 46 HB -0.43 0.03 0.06 -0.04 2.12 1.75 2gm2A12 VAL 46 HG13 -0.21 -0.04 -0.19 -0.04 0.97 0.49 2gm2A12 VAL 46 HG23 -1.29 0.02 -0.34 -0.04 0.95 -0.70 2gm2A12 PRO 47 HA -0.06 0.08 0.44 -0.51 4.44 4.39 2gm2A12 PRO 47 HB2 -0.08 0.06 -0.10 -0.04 2.28 2.11 2gm2A12 PRO 47 HB3 -0.08 0.01 0.16 -0.04 2.02 2.07 2gm2A12 PRO 47 HG2 -0.17 -0.02 0.04 -0.04 2.03 1.84 2gm2A12 PRO 47 HG3 -0.15 0.06 0.04 -0.04 2.03 1.94 2gm2A12 PRO 47 HD2 -0.21 0.12 0.06 -0.04 3.68 3.60 2gm2A12 PRO 47 HD3 -0.17 0.08 -0.05 -0.04 3.65 3.46 2gm2A12 SER 48 H -0.12 0.14 -0.17 -0.55 8.46 7.76 2gm2A12 SER 48 HA -0.04 0.21 0.52 -0.75 4.49 4.43 2gm2A12 SER 48 HB2 -0.07 -0.06 -0.20 -0.04 3.95 3.58 2gm2A12 SER 48 HB3 -0.03 0.03 -0.05 -0.04 3.93 3.83 2gm2A12 LEU 49 H -0.02 0.22 -0.00 -0.55 8.37 8.02 2gm2A12 LEU 49 HA -0.03 0.01 0.51 -0.75 4.35 4.08 2gm2A12 LEU 49 HB2 -0.00 0.04 0.03 -0.04 1.64 1.66 2gm2A12 LEU 49 HB3 -0.00 0.03 0.12 -0.04 1.64 1.75 2gm2A12 LEU 49 HG 0.02 0.01 -0.19 -0.04 1.64 1.44 2gm2A12 LEU 49 HD13 0.03 -0.04 -0.04 -0.04 0.93 0.84 2gm2A12 LEU 49 HD23 0.02 -0.01 -0.36 -0.04 0.89 0.49 2gm2A12 GLY 50 H -0.05 0.09 0.28 -0.55 8.43 8.21 2gm2A12 GLY 50 HA2 0.01 0.08 0.37 -0.51 4.01 3.95 2gm2A12 GLY 50 HA3 0.00 0.13 0.29 -0.51 4.01 3.92 2gm2A12 GLN 51 H -0.09 0.32 0.15 -0.55 8.47 8.30 2gm2A12 GLN 51 HA -0.07 0.19 0.70 -0.75 4.36 4.42 2gm2A12 GLN 51 HB2 -0.20 0.02 0.11 -0.04 2.15 2.04 2gm2A12 GLN 51 HB3 -0.20 0.03 0.20 -0.04 2.02 2.01 2gm2A12 GLN 51 HG2 -0.19 0.04 0.02 -0.04 2.40 2.24 2gm2A12 GLN 51 HG3 -0.08 0.04 -0.04 -0.04 2.39 2.27 2gm2A12 GLN 51 HE21 -0.20 0.01 -0.14 -0.04 6.97 6.60 2gm2A12 GLN 51 HE22 -0.16 0.06 -0.11 -0.04 7.69 7.43 2gm2A12 LEU 52 H -0.06 -0.07 -0.48 -0.55 8.37 7.22 2gm2A12 LEU 52 HA -0.08 0.19 0.66 -0.75 4.35 4.36 2gm2A12 LEU 52 HB2 -0.07 0.05 0.01 -0.04 1.64 1.59 2gm2A12 LEU 52 HB3 0.01 -0.08 0.12 -0.04 1.64 1.65 2gm2A12 LEU 52 HG 0.11 -0.06 -0.24 -0.04 1.64 1.40 2gm2A12 LEU 52 HD13 0.14 0.02 -0.13 -0.04 0.93 0.91 2gm2A12 LEU 52 HD23 0.15 0.01 -0.09 -0.04 0.89 0.91 2gm2A12 GLN 53 H 0.00 0.32 0.17 -0.55 8.47 8.42 2gm2A12 GLN 53 HA 0.04 0.21 0.80 -0.75 4.36 4.65 2gm2A12 GLN 53 HB2 0.03 -0.01 0.09 -0.04 2.15 2.21 2gm2A12 GLN 53 HB3 0.03 -0.02 0.10 -0.04 2.02 2.09 2gm2A12 GLN 53 HG2 0.00 0.03 -0.06 -0.04 2.40 2.33 2gm2A12 GLN 53 HG3 -0.03 0.07 -0.22 -0.04 2.39 2.17 2gm2A12 GLN 53 HE21 -0.07 0.09 0.02 -0.04 6.97 6.97 2gm2A12 GLN 53 HE22 -0.03 0.02 0.01 -0.04 7.69 7.65 2gm2A12 PRO 54 HA 0.08 0.11 0.31 -0.51 4.44 4.43 2gm2A12 PRO 54 HB2 0.04 0.07 -0.04 -0.04 2.28 2.32 2gm2A12 PRO 54 HB3 0.05 0.13 0.02 -0.04 2.02 2.18 2gm2A12 PRO 54 HG2 0.03 0.09 0.01 -0.04 2.03 2.12 2gm2A12 PRO 54 HG3 0.04 -0.00 -0.25 -0.04 2.03 1.78 2gm2A12 PRO 54 HD2 0.04 0.14 0.18 -0.04 3.68 4.00 2gm2A12 PRO 54 HD3 0.04 0.15 0.18 -0.04 3.65 3.98 2gm2A12 ALA 55 H 0.07 0.11 -0.31 -0.55 8.40 7.72 2gm2A12 ALA 55 HA 0.07 0.16 0.43 -0.75 4.34 4.25 2gm2A12 ALA 55 HB3 0.06 0.03 0.04 -0.04 1.41 1.49 2gm2A12 HIS 56 H 0.17 0.26 -0.40 -0.55 8.41 7.89 2gm2A12 HIS 56 HA 0.10 0.23 0.77 -0.75 4.63 4.97 2gm2A12 HIS 56 HB2 -0.03 -0.03 0.07 -0.04 3.26 3.23 2gm2A12 HIS 56 HB3 -0.03 -0.02 0.13 -0.04 3.20 3.24 2gm2A12 HIS 56 HD2 -0.74 -0.07 -0.15 -0.04 6.97 5.97 2gm2A12 HIS 56 HE1 -0.21 -0.02 0.01 -0.04 7.75 7.49 2gm2A12 MET 57 H 0.20 0.48 0.04 -0.55 8.47 8.64 2gm2A12 MET 57 HA 0.46 0.11 0.52 -0.75 4.52 4.86 2gm2A12 MET 57 HB2 0.22 -0.00 -0.08 -0.04 2.15 2.24 2gm2A12 MET 57 HB3 0.13 0.03 -0.04 -0.04 2.03 2.11 2gm2A12 MET 57 HG2 0.11 0.00 -0.09 -0.04 2.63 2.62 2gm2A12 MET 57 HG3 0.08 -0.01 -0.03 -0.04 2.56 2.55 2gm2A12 MET 57 HE3 0.02 0.01 -0.11 -0.04 2.10 1.97 2gm2A12 ASP 58 H 0.12 0.11 -0.70 -0.55 8.40 7.38 2gm2A12 ASP 58 HA 0.03 0.05 0.31 -0.75 4.63 4.27 2gm2A12 ASP 58 HB2 0.06 0.09 0.12 -0.04 2.71 2.94 2gm2A12 ASP 58 HB3 0.06 0.18 -0.07 -0.04 2.70 2.83 2gm2A12 ALA 59 H 0.06 0.26 -0.55 -0.55 8.40 7.63 2gm2A12 ALA 59 HA -0.03 0.08 0.33 -0.75 4.34 3.97 2gm2A12 ALA 59 HB3 -0.07 0.03 0.01 -0.04 1.41 1.34 2gm2A12 VAL 60 H -0.15 0.22 -0.32 -0.55 8.24 7.44 2gm2A12 VAL 60 HA -0.24 0.07 0.31 -0.75 4.13 3.52 2gm2A12 VAL 60 HB -0.13 0.12 0.01 -0.04 2.12 2.08 2gm2A12 VAL 60 HG13 -0.18 -0.00 -0.15 -0.04 0.97 0.59 2gm2A12 VAL 60 HG23 -0.62 -0.02 -0.04 -0.04 0.95 0.22 2gm2A12 LEU 61 H -0.05 0.30 -0.30 -0.55 8.37 7.78 2gm2A12 LEU 61 HA -0.03 0.08 0.39 -0.75 4.35 4.03 2gm2A12 LEU 61 HB2 -0.00 0.12 0.09 -0.04 1.64 1.81 2gm2A12 LEU 61 HB3 -0.00 0.00 0.01 -0.04 1.64 1.61 2gm2A12 LEU 61 HG 0.01 0.11 -0.10 -0.04 1.64 1.62 2gm2A12 LEU 61 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.81 2gm2A12 LEU 61 HD23 -0.00 -0.00 -0.12 -0.04 0.89 0.72 2gm2A12 ALA 62 H -0.04 0.43 -0.31 -0.55 8.40 7.93 2gm2A12 ALA 62 HA -0.02 0.03 0.42 -0.75 4.34 4.02 2gm2A12 ALA 62 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 2gm2A12 LEU 63 H -0.07 0.29 -0.37 -0.55 8.37 7.68 2gm2A12 LEU 63 HA -0.04 0.03 0.48 -0.75 4.35 4.06 2gm2A12 LEU 63 HB2 -0.09 0.13 -0.03 -0.04 1.64 1.61 2gm2A12 LEU 63 HB3 -0.07 -0.04 -0.04 -0.04 1.64 1.45 2gm2A12 LEU 63 HG -0.10 0.26 0.01 -0.04 1.64 1.76 2gm2A12 LEU 63 HD13 -0.15 -0.04 -0.13 -0.04 0.93 0.57 2gm2A12 LEU 63 HD23 -0.05 -0.01 -0.08 -0.04 0.89 0.70 2gm2A12 ASN 64 H -0.04 0.11 -0.72 -0.55 8.53 7.33 2gm2A12 ASN 64 HA -0.03 0.07 0.33 -0.75 4.76 4.39 2gm2A12 ASN 64 HB2 -0.02 0.13 -0.00 -0.04 2.88 2.94 2gm2A12 ASN 64 HB3 -0.02 -0.06 0.08 -0.04 2.79 2.76 2gm2A12 ASN 64 HD21 -0.02 0.06 -0.34 -0.04 7.03 6.69 2gm2A12 ASN 64 HD22 -0.01 -0.11 -0.04 -0.04 7.74 7.54 2gm2A12 PRO 65 HA -0.03 0.14 0.57 -0.51 4.44 4.61 2gm2A12 PRO 65 HB2 -0.03 -0.05 -0.17 -0.04 2.28 1.99 2gm2A12 PRO 65 HB3 -0.05 0.01 -0.16 -0.04 2.02 1.78 2gm2A12 PRO 65 HG2 -0.03 -0.03 -0.25 -0.04 2.03 1.68 2gm2A12 PRO 65 HG3 -0.07 -0.01 -0.21 -0.04 2.03 1.70 2gm2A12 PRO 65 HD2 -0.03 0.07 0.09 -0.04 3.68 3.77 2gm2A12 PRO 65 HD3 -0.05 0.34 0.11 -0.04 3.65 4.01 2gm2A12 ALA 66 H -0.02 0.54 0.28 -0.55 8.40 8.65 2gm2A12 ALA 66 HA -0.01 0.25 0.87 -0.75 4.34 4.70 2gm2A12 ALA 66 HB3 -0.01 -0.00 0.09 -0.04 1.41 1.44 2gm2A12 VAL 67 H -0.01 0.48 0.35 -0.55 8.24 8.51 2gm2A12 VAL 67 HA -0.00 0.12 1.03 -0.75 4.13 4.52 2gm2A12 VAL 67 HB -0.00 0.04 -0.01 -0.04 2.12 2.10 2gm2A12 VAL 67 HG13 -0.00 -0.02 -0.02 -0.04 0.97 0.88 2gm2A12 VAL 67 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 2gm2A12 ILE 68 H 0.00 0.84 0.19 -0.55 8.25 8.74 2gm2A12 ILE 68 HA -0.01 0.22 1.12 -0.75 4.18 4.76 2gm2A12 ILE 68 HB -0.01 -0.07 0.02 -0.04 1.89 1.79 2gm2A12 ILE 68 HG12 -0.04 0.05 -0.19 -0.04 1.49 1.26 2gm2A12 ILE 68 HG13 -0.02 -0.05 -0.51 -0.04 1.21 0.59 2gm2A12 ILE 68 HG23 -0.04 -0.00 -0.21 -0.04 0.93 0.64 2gm2A12 ILE 68 HD13 -0.04 0.00 -0.21 -0.04 0.88 0.60 2gm2A12 LEU 69 H 0.01 0.51 0.24 -0.55 8.37 8.58 2gm2A12 LEU 69 HA 0.00 0.21 0.97 -0.75 4.35 4.78 2gm2A12 LEU 69 HB2 0.03 -0.02 0.17 -0.04 1.64 1.78 2gm2A12 LEU 69 HB3 0.01 -0.04 -0.01 -0.04 1.64 1.56 2gm2A12 LEU 69 HG 0.04 -0.02 -0.16 -0.04 1.64 1.46 2gm2A12 LEU 69 HD13 0.10 0.03 -0.15 -0.04 0.93 0.88 2gm2A12 LEU 69 HD23 0.02 0.01 -0.05 -0.04 0.89 0.82 2gm2A12 LEU 70 H -0.01 0.75 0.25 -0.55 8.37 8.81 2gm2A12 LEU 70 HA -0.02 0.27 0.87 -0.75 4.35 4.71 2gm2A12 LEU 70 HB2 0.01 -0.01 -0.07 -0.04 1.64 1.53 2gm2A12 LEU 70 HB3 -0.01 -0.05 0.11 -0.04 1.64 1.65 2gm2A12 LEU 70 HG -0.00 -0.03 -0.24 -0.04 1.64 1.32 2gm2A12 LEU 70 HD13 0.06 0.04 -0.10 -0.04 0.93 0.88 2gm2A12 LEU 70 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.80 2gm2A12 GLY 71 H -0.05 0.74 0.27 -0.55 8.43 8.84 2gm2A12 GLY 71 HA2 -0.03 0.33 0.64 -0.51 4.01 4.44 2gm2A12 GLY 71 HA3 -0.05 -0.10 0.31 -0.51 4.01 3.67 2gm2A12 THR 72 H -0.04 0.65 0.24 -0.55 8.28 8.58 2gm2A12 THR 72 HA -0.02 0.11 0.62 -0.75 4.39 4.35 2gm2A12 THR 72 HB -0.04 -0.08 0.13 -0.04 4.32 4.30 2gm2A12 THR 72 HG23 -0.03 0.00 -0.05 -0.04 1.22 1.11 2gm2A12 GLY 73 H -0.02 0.62 0.02 -0.55 8.43 8.50 2gm2A12 GLY 73 HA2 -0.01 0.10 0.51 -0.51 4.01 4.10 2gm2A12 GLY 73 HA3 -0.02 0.03 0.56 -0.51 4.01 4.07 2gm2A12 GLU 74 H -0.02 0.22 0.27 -0.55 8.60 8.52 2gm2A12 GLU 74 HA -0.01 0.03 0.77 -0.75 4.29 4.33 2gm2A12 GLU 74 HB2 -0.01 0.03 0.16 -0.04 2.09 2.23 2gm2A12 GLU 74 HB3 -0.01 0.02 0.21 -0.04 1.99 2.17 2gm2A12 GLU 74 HG2 -0.01 -0.15 0.04 -0.04 2.34 2.18 2gm2A12 GLU 74 HG3 -0.00 0.05 0.10 -0.04 2.34 2.44 2gm2A12 ARG 75 H -0.02 0.43 -0.17 -0.55 8.46 8.15 2gm2A12 ARG 75 HA -0.03 0.17 0.91 -0.75 4.34 4.64 2gm2A12 ARG 75 HB2 -0.03 0.10 0.02 -0.04 1.90 1.95 2gm2A12 ARG 75 HB3 -0.03 -0.00 -0.01 -0.04 1.80 1.72 2gm2A12 ARG 75 HG2 -0.01 0.05 -0.05 -0.04 1.67 1.61 2gm2A12 ARG 75 HG3 -0.01 -0.10 -0.17 -0.04 1.67 1.34 2gm2A12 ARG 75 HD2 -0.01 0.01 -0.02 -0.04 3.22 3.15 2gm2A12 ARG 75 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.16 2gm2A12 GLN 76 H -0.06 0.18 0.07 -0.55 8.47 8.11 2gm2A12 GLN 76 HA -0.12 0.18 0.78 -0.75 4.36 4.44 2gm2A12 GLN 76 HB2 -0.11 -0.03 0.15 -0.04 2.15 2.12 2gm2A12 GLN 76 HB3 -0.23 0.09 -0.03 -0.04 2.02 1.81 2gm2A12 GLN 76 HG2 -0.09 -0.02 -0.07 -0.04 2.40 2.18 2gm2A12 GLN 76 HG3 -0.06 -0.06 -0.24 -0.04 2.39 1.99 2gm2A12 GLN 76 HE21 -0.03 0.02 0.03 -0.04 6.97 6.95 2gm2A12 GLN 76 HE22 -0.04 -0.18 0.10 -0.04 7.69 7.53 2gm2A12 GLN 77 H -0.15 0.24 -0.01 -0.55 8.47 8.00 2gm2A12 GLN 77 HA -0.15 0.17 0.95 -0.75 4.36 4.58 2gm2A12 GLN 77 HB2 -0.04 -0.02 -0.15 -0.04 2.15 1.90 2gm2A12 GLN 77 HB3 -0.05 -0.03 -0.02 -0.04 2.02 1.89 2gm2A12 GLN 77 HG2 0.03 0.20 -0.15 -0.04 2.40 2.44 2gm2A12 GLN 77 HG3 0.02 -0.02 0.05 -0.04 2.39 2.40 2gm2A12 GLN 77 HE21 0.04 0.05 -0.02 -0.04 6.97 7.00 2gm2A12 GLN 77 HE22 0.02 0.27 0.09 -0.04 7.69 8.03 2gm2A12 PHE 78 H 0.07 0.13 0.14 -0.55 8.34 8.13 2gm2A12 PHE 78 HA 0.01 0.16 0.73 -0.75 4.62 4.76 2gm2A12 PHE 78 HB2 0.01 -0.04 0.13 -0.04 3.15 3.21 2gm2A12 PHE 78 HB3 0.01 0.07 0.06 -0.04 3.06 3.16 2gm2A12 PHE 78 HD2 0.01 0.00 0.05 -0.04 7.28 7.30 2gm2A12 PHE 78 HE2 0.01 0.01 0.00 -0.04 7.38 7.35 2gm2A12 PHE 78 HZ 0.01 -0.00 -0.01 -0.04 7.32 7.27 2gm2A12 PRO 79 HA 0.06 0.08 0.41 -0.51 4.44 4.49 2gm2A12 PRO 79 HB2 0.07 -0.04 0.05 -0.04 2.28 2.31 2gm2A12 PRO 79 HB3 0.06 0.03 0.04 -0.04 2.02 2.12 2gm2A12 PRO 79 HG2 0.09 0.03 -0.08 -0.04 2.03 2.03 2gm2A12 PRO 79 HG3 0.07 0.06 -0.01 -0.04 2.03 2.10 2gm2A12 PRO 79 HD2 0.20 0.08 0.19 -0.04 3.68 4.11 2gm2A12 PRO 79 HD3 0.06 0.24 0.22 -0.04 3.65 4.13 2gm2A12 SER 80 H 0.05 0.11 0.12 -0.55 8.46 8.20 2gm2A12 SER 80 HA 0.04 0.17 0.44 -0.75 4.49 4.39 2gm2A12 SER 80 HB2 0.03 0.16 0.14 -0.04 3.95 4.24 2gm2A12 SER 80 HB3 0.04 -0.09 0.13 -0.04 3.93 3.97 2gm2A12 THR 81 H 0.02 0.22 0.20 -0.55 8.28 8.17 2gm2A12 THR 81 HA 0.02 0.17 0.39 -0.75 4.39 4.21 2gm2A12 THR 81 HB 0.01 -0.02 0.10 -0.04 4.32 4.37 2gm2A12 THR 81 HG23 0.00 0.02 0.00 -0.04 1.22 1.21 2gm2A12 ASP 82 H 0.02 0.09 -0.13 -0.55 8.40 7.84 2gm2A12 ASP 82 HA 0.02 0.15 0.49 -0.75 4.63 4.53 2gm2A12 ASP 82 HB2 0.03 0.04 0.03 -0.04 2.71 2.76 2gm2A12 ASP 82 HB3 0.02 0.07 0.10 -0.04 2.70 2.85 2gm2A12 VAL 83 H 0.04 0.08 -0.38 -0.55 8.24 7.43 2gm2A12 VAL 83 HA 0.05 0.07 0.52 -0.75 4.13 4.01 2gm2A12 VAL 83 HB 0.06 0.18 0.03 -0.04 2.12 2.35 2gm2A12 VAL 83 HG13 0.07 0.01 -0.13 -0.04 0.97 0.88 2gm2A12 VAL 83 HG23 0.06 -0.04 -0.04 -0.04 0.95 0.89 2gm2A12 LEU 84 H 0.04 0.45 -0.19 -0.55 8.37 8.13 2gm2A12 LEU 84 HA 0.04 0.06 0.42 -0.75 4.35 4.12 2gm2A12 LEU 84 HB2 0.03 0.11 0.15 -0.04 1.64 1.88 2gm2A12 LEU 84 HB3 0.03 0.00 0.03 -0.04 1.64 1.66 2gm2A12 LEU 84 HG 0.06 0.16 -0.17 -0.04 1.64 1.65 2gm2A12 LEU 84 HD13 0.04 -0.02 -0.06 -0.04 0.93 0.85 2gm2A12 LEU 84 HD23 0.08 -0.01 -0.03 -0.04 0.89 0.89 2gm2A12 ALA 85 H 0.03 0.36 -0.35 -0.55 8.40 7.89 2gm2A12 ALA 85 HA 0.02 0.06 0.49 -0.75 4.34 4.15 2gm2A12 ALA 85 HB3 0.02 0.06 0.13 -0.04 1.41 1.57 2gm2A12 ALA 86 H 0.03 0.37 -0.18 -0.55 8.40 8.07 2gm2A12 ALA 86 HA 0.02 0.03 0.37 -0.75 4.34 4.00 2gm2A12 ALA 86 HB3 0.03 0.04 0.07 -0.04 1.41 1.51 2gm2A12 CYS 87 H 0.03 0.36 -0.38 -0.55 8.50 7.97 2gm2A12 CYS 87 HA 0.02 0.01 0.40 -0.75 4.58 4.26 2gm2A12 CYS 87 HB2 0.03 -0.05 0.07 -0.04 2.97 2.98 2gm2A12 CYS 87 HB3 0.03 0.18 0.18 -0.04 2.97 3.32 2gm2A12 LEU 88 H 0.02 0.39 -0.26 -0.55 8.37 7.97 2gm2A12 LEU 88 HA 0.01 0.07 0.50 -0.75 4.35 4.18 2gm2A12 LEU 88 HB2 0.01 0.06 0.16 -0.04 1.64 1.83 2gm2A12 LEU 88 HB3 0.01 0.05 0.20 -0.04 1.64 1.86 2gm2A12 LEU 88 HG 0.01 -0.01 0.05 -0.04 1.64 1.65 2gm2A12 LEU 88 HD13 0.01 -0.02 0.00 -0.04 0.93 0.88 2gm2A12 LEU 88 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.69 2gm2A12 THR 89 H 0.01 0.72 0.07 -0.55 8.28 8.53 2gm2A12 THR 89 HA 0.01 -0.01 0.29 -0.75 4.39 3.92 2gm2A12 THR 89 HB 0.01 0.04 0.11 -0.04 4.32 4.43 2gm2A12 THR 89 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.13 2gm2A12 ARG 90 H 0.01 0.37 -0.27 -0.55 8.46 8.01 2gm2A12 ARG 90 HA 0.00 0.14 0.71 -0.75 4.34 4.44 2gm2A12 ARG 90 HB2 0.00 0.05 0.03 -0.04 1.90 1.95 2gm2A12 ARG 90 HB3 -0.00 0.04 0.07 -0.04 1.80 1.87 2gm2A12 ARG 90 HG2 0.00 0.01 -0.04 -0.04 1.67 1.61 2gm2A12 ARG 90 HG3 0.01 -0.07 -0.06 -0.04 1.67 1.50 2gm2A12 ARG 90 HD2 0.00 -0.04 -0.02 -0.04 3.22 3.12 2gm2A12 ARG 90 HD3 -0.00 -0.04 -0.02 -0.04 3.22 3.12 2gm2A12 GLY 91 H 0.01 0.23 -0.51 -0.55 8.43 7.61 2gm2A12 GLY 91 HA2 0.01 0.02 0.36 -0.51 4.01 3.88 2gm2A12 GLY 91 HA3 0.00 -0.01 0.49 -0.51 4.01 3.99 2gm2A12 ILE 92 H 0.01 0.52 0.10 -0.55 8.25 8.33 2gm2A12 ILE 92 HA -0.00 0.29 0.52 -0.75 4.18 4.24 2gm2A12 ILE 92 HB 0.01 -0.12 0.06 -0.04 1.89 1.79 2gm2A12 ILE 92 HG12 0.00 -0.05 -0.16 -0.04 1.49 1.23 2gm2A12 ILE 92 HG13 -0.00 -0.08 -0.16 -0.04 1.21 0.92 2gm2A12 ILE 92 HG23 -0.00 -0.03 -0.40 -0.04 0.93 0.46 2gm2A12 ILE 92 HD13 -0.01 0.02 -0.24 -0.04 0.88 0.61 2gm2A12 GLY 93 H 0.00 0.78 0.37 -0.55 8.43 9.03 2gm2A12 GLY 93 HA2 0.01 0.14 0.73 -0.51 4.01 4.38 2gm2A12 GLY 93 HA3 0.01 -0.01 0.45 -0.51 4.01 3.94 2gm2A12 LEU 94 H 0.02 0.41 0.01 -0.55 8.37 8.26 2gm2A12 LEU 94 HA 0.01 0.20 0.80 -0.75 4.35 4.60 2gm2A12 LEU 94 HB2 0.02 0.00 -0.03 -0.04 1.64 1.60 2gm2A12 LEU 94 HB3 0.03 0.01 0.16 -0.04 1.64 1.80 2gm2A12 LEU 94 HG 0.03 -0.03 -0.24 -0.04 1.64 1.36 2gm2A12 LEU 94 HD13 0.02 0.03 -0.09 -0.04 0.93 0.85 2gm2A12 LEU 94 HD23 0.05 -0.01 -0.09 -0.04 0.89 0.79 2gm2A12 GLU 95 H 0.01 0.83 0.36 -0.55 8.60 9.25 2gm2A12 GLU 95 HA 0.01 0.15 0.88 -0.75 4.29 4.58 2gm2A12 GLU 95 HB2 0.01 0.08 0.01 -0.04 2.09 2.15 2gm2A12 GLU 95 HB3 0.00 -0.09 0.06 -0.04 1.99 1.93 2gm2A12 GLU 95 HG2 0.01 -0.02 -0.08 -0.04 2.34 2.21 2gm2A12 GLU 95 HG3 0.01 0.00 -0.07 -0.04 2.34 2.23 2gm2A12 ALA 96 H -0.01 0.23 0.12 -0.55 8.40 8.19 2gm2A12 ALA 96 HA -0.04 0.24 0.96 -0.75 4.34 4.75 2gm2A12 ALA 96 HB3 -0.09 -0.00 0.12 -0.04 1.41 1.40 2gm2A12 MET 97 H -0.04 0.76 0.39 -0.55 8.47 9.03 2gm2A12 MET 97 HA -0.06 0.12 0.66 -0.75 4.52 4.49 2gm2A12 MET 97 HB2 -0.02 0.03 -0.13 -0.04 2.15 1.99 2gm2A12 MET 97 HB3 -0.02 -0.20 0.13 -0.04 2.03 1.90 2gm2A12 MET 97 HG2 -0.03 0.05 -0.01 -0.04 2.63 2.60 2gm2A12 MET 97 HG3 -0.02 -0.02 -0.64 -0.04 2.56 1.84 2gm2A12 MET 97 HE3 0.00 -0.00 -0.19 -0.04 2.10 1.87 2gm2A12 THR 98 H -0.03 0.09 0.09 -0.55 8.28 7.89 2gm2A12 THR 98 HA -0.03 0.39 0.58 -0.75 4.39 4.58 2gm2A12 THR 98 HB -0.01 -0.09 0.08 -0.04 4.32 4.26 2gm2A12 THR 98 HG23 -0.02 0.02 -0.23 -0.04 1.22 0.95 2gm2A12 ASN 99 H -0.01 0.72 0.20 -0.55 8.53 8.89 2gm2A12 ASN 99 HA -0.02 0.07 0.30 -0.75 4.76 4.36 2gm2A12 ASN 99 HB2 0.00 0.00 0.01 -0.04 2.88 2.85 2gm2A12 ASN 99 HB3 -0.02 0.14 0.10 -0.04 2.79 2.97 2gm2A12 ASN 99 HD21 0.01 0.11 0.01 -0.04 7.03 7.11 2gm2A12 ASN 99 HD22 0.01 0.15 0.12 -0.04 7.74 7.98 2gm2A12 ALA 100 H 0.01 0.14 -0.25 -0.55 8.40 7.75 2gm2A12 ALA 100 HA 0.03 0.12 0.42 -0.75 4.34 4.15 2gm2A12 ALA 100 HB3 0.02 0.03 0.02 -0.04 1.41 1.44 2gm2A12 ALA 101 H 0.01 0.12 -0.28 -0.55 8.40 7.70 2gm2A12 ALA 101 HA 0.02 0.12 0.49 -0.75 4.34 4.21 2gm2A12 ALA 101 HB3 0.00 0.03 0.05 -0.04 1.41 1.45 2gm2A12 ALA 102 H 0.00 0.52 -0.20 -0.55 8.40 8.18 2gm2A12 ALA 102 HA 0.02 0.04 0.32 -0.75 4.34 3.97 2gm2A12 ALA 102 HB3 -0.01 0.04 -0.13 -0.04 1.41 1.26 2gm2A12 ALA 103 H 0.02 0.44 -0.35 -0.55 8.40 7.97 2gm2A12 ALA 103 HA 0.05 0.03 0.32 -0.75 4.34 3.98 2gm2A12 ALA 103 HB3 0.05 0.06 0.05 -0.04 1.41 1.52 2gm2A12 ARG 104 H 0.05 0.27 -0.34 -0.55 8.46 7.88 2gm2A12 ARG 104 HA 0.06 0.08 0.43 -0.75 4.34 4.15 2gm2A12 ARG 104 HB2 0.03 0.04 0.11 -0.04 1.90 2.04 2gm2A12 ARG 104 HB3 0.03 0.09 0.15 -0.04 1.80 2.03 2gm2A12 ARG 104 HG2 0.02 -0.01 -0.21 -0.04 1.67 1.43 2gm2A12 ARG 104 HG3 0.02 -0.00 0.03 -0.04 1.67 1.68 2gm2A12 ARG 104 HD2 0.02 0.00 0.00 -0.04 3.22 3.20 2gm2A12 ARG 104 HD3 0.01 -0.00 -0.01 -0.04 3.22 3.18 2gm2A12 THR 105 H 0.05 0.54 -0.10 -0.55 8.28 8.23 2gm2A12 THR 105 HA 0.02 0.01 0.35 -0.75 4.39 4.02 2gm2A12 THR 105 HB 0.04 0.07 0.05 -0.04 4.32 4.44 2gm2A12 THR 105 HG23 0.01 -0.01 -0.03 -0.04 1.22 1.15 2gm2A12 TYR 106 H 0.15 0.47 -0.46 -0.55 8.29 7.91 2gm2A12 TYR 106 HA -0.01 -0.01 0.35 -0.75 4.56 4.14 2gm2A12 TYR 106 HB2 -0.00 0.02 0.05 -0.04 3.06 3.08 2gm2A12 TYR 106 HB3 0.01 0.25 0.12 -0.04 2.98 3.32 2gm2A12 TYR 106 HD2 0.01 -0.00 -0.12 -0.04 7.15 7.00 2gm2A12 TYR 106 HE2 0.02 0.07 -0.11 -0.04 6.85 6.79 2gm2A12 ASN 107 H 0.09 0.41 -0.26 -0.55 8.53 8.22 2gm2A12 ASN 107 HA -0.16 0.04 0.35 -0.75 4.76 4.24 2gm2A12 ASN 107 HB2 0.06 0.02 0.13 -0.04 2.88 3.05 2gm2A12 ASN 107 HB3 0.01 0.14 0.14 -0.04 2.79 3.04 2gm2A12 ASN 107 HD21 0.01 -0.01 0.03 -0.04 7.03 7.02 2gm2A12 ASN 107 HD22 -0.03 -0.00 -0.00 -0.04 7.74 7.66 2gm2A12 VAL 108 H -0.03 0.31 -0.26 -0.55 8.24 7.71 2gm2A12 VAL 108 HA -0.04 0.04 0.41 -0.75 4.13 3.78 2gm2A12 VAL 108 HB -0.02 0.16 0.16 -0.04 2.12 2.37 2gm2A12 VAL 108 HG13 -0.02 -0.01 -0.05 -0.04 0.97 0.84 2gm2A12 VAL 108 HG23 -0.01 0.04 0.04 -0.04 0.95 0.97 2gm2A12 LEU 109 H -0.08 0.52 -0.12 -0.55 8.37 8.13 2gm2A12 LEU 109 HA -0.06 0.03 0.43 -0.75 4.35 3.99 2gm2A12 LEU 109 HB2 -0.11 0.12 0.10 -0.04 1.64 1.70 2gm2A12 LEU 109 HB3 -0.06 -0.06 0.03 -0.04 1.64 1.51 2gm2A12 LEU 109 HG -0.02 0.22 0.05 -0.04 1.64 1.84 2gm2A12 LEU 109 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.78 2gm2A12 LEU 109 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.77 2gm2A12 ALA 110 H -0.26 0.49 -0.26 -0.55 8.40 7.82 2gm2A12 ALA 110 HA -0.20 0.05 0.55 -0.75 4.34 3.98 2gm2A12 ALA 110 HB3 -0.43 0.01 0.10 -0.04 1.41 1.05 2gm2A12 SER 111 H -0.11 0.28 -0.50 -0.55 8.46 7.58 2gm2A12 SER 111 HA -0.07 0.04 0.43 -0.75 4.49 4.14 2gm2A12 SER 111 HB2 -0.05 0.13 0.20 -0.04 3.95 4.18 2gm2A12 SER 111 HB3 -0.04 -0.07 0.05 -0.04 3.93 3.83 2gm2A12 GLU 112 H -0.06 0.22 -0.09 -0.55 8.60 8.13 2gm2A12 GLU 112 HA -0.03 0.08 0.52 -0.75 4.29 4.10 2gm2A12 GLU 112 HB2 -0.03 -0.03 0.09 -0.04 2.09 2.08 2gm2A12 GLU 112 HB3 -0.04 0.02 0.07 -0.04 1.99 2.00 2gm2A12 GLU 112 HG2 -0.03 0.03 -0.16 -0.04 2.34 2.14 2gm2A12 GLU 112 HG3 -0.02 -0.00 0.07 -0.04 2.34 2.35 2gm2A12 GLY 113 H -0.07 0.11 -0.40 -0.55 8.43 7.53 2gm2A12 GLY 113 HA2 -0.06 0.08 0.30 -0.51 4.01 3.82 2gm2A12 GLY 113 HA3 -0.04 0.10 0.51 -0.51 4.01 4.07 2gm2A12 ARG 114 H -0.06 0.21 0.11 -0.55 8.46 8.17 2gm2A12 ARG 114 HA -0.03 0.20 0.76 -0.75 4.34 4.52 2gm2A12 ARG 114 HB2 -0.04 -0.00 -0.01 -0.04 1.90 1.81 2gm2A12 ARG 114 HB3 -0.02 -0.05 0.05 -0.04 1.80 1.74 2gm2A12 ARG 114 HG2 -0.02 0.07 -0.09 -0.04 1.67 1.58 2gm2A12 ARG 114 HG3 -0.03 -0.03 -0.11 -0.04 1.67 1.45 2gm2A12 ARG 114 HD2 -0.02 -0.00 -0.03 -0.04 3.22 3.12 2gm2A12 ARG 114 HD3 -0.02 -0.03 -0.02 -0.04 3.22 3.11 2gm2A12 ARG 115 H -0.02 0.15 0.10 -0.55 8.46 8.13 2gm2A12 ARG 115 HA -0.02 0.17 0.59 -0.75 4.34 4.33 2gm2A12 ARG 115 HB2 -0.02 -0.07 0.18 -0.04 1.90 1.95 2gm2A12 ARG 115 HB3 -0.02 0.06 0.16 -0.04 1.80 1.96 2gm2A12 ARG 115 HG2 -0.02 0.05 0.04 -0.04 1.67 1.70 2gm2A12 ARG 115 HG3 -0.02 -0.06 0.06 -0.04 1.67 1.61 2gm2A12 ARG 115 HD2 -0.02 -0.09 -0.00 -0.04 3.22 3.07 2gm2A12 ARG 115 HD3 -0.02 0.51 0.15 -0.04 3.22 3.82 2gm2A12 VAL 116 H -0.01 0.47 0.30 -0.55 8.24 8.45 2gm2A12 VAL 116 HA 0.01 0.27 1.07 -0.75 4.13 4.73 2gm2A12 VAL 116 HB -0.02 -0.05 -0.08 -0.04 2.12 1.93 2gm2A12 VAL 116 HG13 -0.08 0.06 0.03 -0.04 0.97 0.94 2gm2A12 VAL 116 HG23 0.12 -0.02 -0.16 -0.04 0.95 0.84 2gm2A12 ALA 117 H 0.02 0.71 0.41 -0.55 8.40 9.00 2gm2A12 ALA 117 HA 0.00 0.26 0.97 -0.75 4.34 4.82 2gm2A12 ALA 117 HB3 -0.08 -0.01 -0.04 -0.04 1.41 1.24 2gm2A12 LEU 118 H -0.07 0.85 0.22 -0.55 8.37 8.83 2gm2A12 LEU 118 HA -0.08 0.11 0.84 -0.75 4.35 4.46 2gm2A12 LEU 118 HB2 -0.60 0.05 0.11 -0.04 1.64 1.15 2gm2A12 LEU 118 HB3 -0.40 -0.12 0.36 -0.04 1.64 1.44 2gm2A12 LEU 118 HG -0.26 -0.03 -0.16 -0.04 1.64 1.15 2gm2A12 LEU 118 HD13 -0.06 0.01 -0.15 -0.04 0.93 0.69 2gm2A12 LEU 118 HD23 -0.43 -0.02 -0.04 -0.04 0.89 0.37 2gm2A12 ALA 119 H -0.10 0.50 0.18 -0.55 8.40 8.43 2gm2A12 ALA 119 HA -0.18 0.09 0.71 -0.75 4.34 4.20 2gm2A12 ALA 119 HB3 -0.05 -0.01 -0.03 -0.04 1.41 1.29 2gm2A12 MET 120 H -0.35 0.64 0.41 -0.55 8.47 8.63 2gm2A12 MET 120 HA -0.19 0.04 0.89 -0.75 4.52 4.51 2gm2A12 MET 120 HB2 -1.58 0.16 0.23 -0.04 2.15 0.92 2gm2A12 MET 120 HB3 -0.49 -0.04 -0.02 -0.04 2.03 1.43 2gm2A12 MET 120 HG2 -0.44 0.04 -0.22 -0.04 2.63 1.96 2gm2A12 MET 120 HG3 -0.46 -0.04 -0.07 -0.04 2.56 1.95 2gm2A12 MET 120 HE3 -0.05 0.05 -0.06 -0.04 2.10 2.00 2gm2A12 ILE 121 H -0.05 0.40 0.22 -0.55 8.25 8.27 2gm2A12 ILE 121 HA 0.01 0.29 0.94 -0.75 4.18 4.67 2gm2A12 ILE 121 HB -0.01 -0.05 0.18 -0.04 1.89 1.97 2gm2A12 ILE 121 HG12 0.04 0.14 -0.14 -0.04 1.49 1.48 2gm2A12 ILE 121 HG13 0.06 -0.04 -0.28 -0.04 1.21 0.90 2gm2A12 ILE 121 HG23 -0.02 0.00 -0.25 -0.04 0.93 0.62 2gm2A12 ILE 121 HD13 0.02 -0.05 -0.22 -0.04 0.88 0.60 2gm2A12 VAL 122 H 0.05 0.91 0.13 -0.55 8.24 8.78 2gm2A12 VAL 122 HA 0.01 0.05 0.73 -0.75 4.13 4.17 2gm2A12 VAL 122 HB 0.14 0.02 -0.28 -0.04 2.12 1.96 2gm2A12 VAL 122 HG13 0.06 0.01 -0.55 -0.04 0.97 0.45 2gm2A12 VAL 122 HG23 0.17 -0.00 -0.23 -0.04 0.95 0.84 2gm2A12 GLY 123 H -0.02 0.30 0.30 -0.55 8.43 8.46 2gm2A12 GLY 123 HA2 -0.08 -0.15 0.56 -0.51 4.01 3.83 2gm2A12 GLY 123 HA3 -0.06 0.27 0.51 -0.51 4.01 4.23 2gm2A12 GLY 124 H -0.01 0.58 0.45 -0.55 8.43 8.90 2gm2A12 GLY 124 HA2 -0.02 0.26 0.39 -0.51 4.01 4.13 2gm2A12 GLY 124 HA3 -0.02 0.00 0.82 -0.51 4.01 4.30 2gm2A12 LEU 125 H -0.00 0.21 0.11 -0.55 8.37 8.15 2gm2A12 LEU 125 HA -0.00 0.18 0.92 -0.75 4.35 4.70 2gm2A12 LEU 125 HB2 0.01 0.07 0.03 -0.04 1.64 1.71 2gm2A12 LEU 125 HB3 -0.03 -0.01 -0.19 -0.04 1.64 1.37 2gm2A12 LEU 125 HG 0.05 -0.01 -0.22 -0.04 1.64 1.42 2gm2A12 LEU 125 HD13 0.07 0.01 -0.11 -0.04 0.93 0.85 2gm2A12 LEU 125 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 2gm2A12 GLU 126 H 0.04 0.28 0.20 -0.55 8.60 8.57 2gm2A12 GLU 126 HA 0.07 0.13 0.82 -0.75 4.29 4.55 2gm2A12 GLU 126 HB2 0.05 0.03 -0.17 -0.04 2.09 1.97 2gm2A12 GLU 126 HB3 0.10 0.02 -0.00 -0.04 1.99 2.07 2gm2A12 GLU 126 HG2 0.06 0.02 0.08 -0.04 2.34 2.46 2gm2A12 GLU 126 HG3 0.08 0.02 -0.02 -0.04 2.34 2.39 2gm2A12 HIS 127 H 0.06 0.10 0.07 -0.55 8.41 8.09 2gm2A12 HIS 127 HA 0.02 -0.03 0.38 -0.75 4.63 4.25 2gm2A12 HIS 127 HB2 -0.02 0.22 -0.11 -0.04 3.26 3.31 2gm2A12 HIS 127 HB3 -0.02 -0.00 0.00 -0.04 3.20 3.14 2gm2A12 HIS 127 HD2 -0.06 0.03 -0.05 -0.04 6.97 6.85 2gm2A12 HIS 127 HE1 -0.01 0.01 -0.02 -0.04 7.75 7.69 2gm2A12 HIS 128 H 0.10 0.10 0.06 -0.55 8.41 8.13 2gm2A12 HIS 128 HA 0.15 0.10 0.64 -0.75 4.63 4.76 2gm2A12 HIS 128 HB2 0.12 0.02 0.05 -0.04 3.26 3.41 2gm2A12 HIS 128 HB3 0.07 0.01 0.09 -0.04 3.20 3.33 2gm2A12 HIS 128 HD2 -0.01 -0.03 0.09 -0.04 6.97 6.97 2gm2A12 HIS 128 HE1 0.04 0.02 0.03 -0.04 7.75 7.79 2gm2A12 HIS 129 H 0.24 0.38 0.25 -0.55 8.41 8.74 2gm2A12 HIS 129 HA -0.01 0.10 0.75 -0.75 4.63 4.72 2gm2A12 HIS 129 HB2 0.02 -0.02 -0.42 -0.04 3.26 2.81 2gm2A12 HIS 129 HB3 0.04 0.09 -0.02 -0.04 3.20 3.27 2gm2A12 HIS 129 HD2 0.08 0.02 -0.16 -0.04 6.97 6.87 2gm2A12 HIS 129 HE1 -0.02 -0.00 0.00 -0.04 7.75 7.69 2gm2A12 HIS 130 H -0.40 0.16 0.08 -0.55 8.41 7.71 2gm2A12 HIS 130 HA -0.17 -0.00 0.38 -0.75 4.63 4.09 2gm2A12 HIS 130 HB2 0.21 -0.08 -0.19 -0.04 3.26 3.16 2gm2A12 HIS 130 HB3 0.09 0.26 0.16 -0.04 3.20 3.66 2gm2A12 HIS 130 HD2 0.06 0.30 -0.14 -0.04 6.97 7.15 2gm2A12 HIS 130 HE1 0.01 -0.02 0.01 -0.04 7.75 7.71 2gm2A12 HIS 131 H 0.22 0.42 -0.71 -0.55 8.41 7.79 2gm2A12 HIS 131 HA 0.17 0.01 0.22 -0.75 4.63 4.27 2gm2A12 HIS 131 HB2 0.02 0.26 0.20 -0.04 3.26 3.69 2gm2A12 HIS 131 HB3 0.01 -0.15 0.15 -0.04 3.20 3.17 2gm2A12 HIS 131 HD2 0.09 -0.01 -0.20 -0.04 6.97 6.80 2gm2A12 HIS 131 HE1 -0.01 0.01 -0.07 -0.04 7.75 7.63 2gm2A12 HIS 132 H 0.08 0.09 0.03 -0.55 8.41 8.06 2gm2A12 HIS 132 HA 0.12 0.16 0.06 -0.75 4.63 4.23 2gm2A12 HIS 132 HB2 0.04 -0.01 0.06 -0.04 3.26 3.31 2gm2A12 HIS 132 HB3 0.08 0.24 0.03 -0.04 3.20 3.50 2gm2A12 HIS 132 HD2 0.09 -0.05 -0.34 -0.04 6.97 6.62 2gm2A12 HIS 132 HE1 0.00 -0.00 -0.08 -0.04 7.75 7.63