============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 2 1.000 28.866 3.186 -4.002 -99.200 -91.000 TYR 7 0.840 39.644 -5.875 1.024 -99.200 -91.000 HIS 30 0.900 38.586 5.289 17.542 -99.200 -91.000 PHE 36 1.000 47.919 1.057 10.670 -99.200 -91.000 TYR 41 0.840 37.411 11.060 5.606 -99.200 -91.000 PHE 43 1.000 42.682 4.089 -1.464 -99.200 -91.000 PHE 53 1.000 29.074 13.299 0.895 -99.200 -91.000 TYR 56 0.840 31.384 15.698 10.764 -99.200 -91.000 TYR 58 0.840 24.098 12.142 2.691 -99.200 -91.000 PHE 63 1.000 19.292 18.607 6.783 -99.200 -91.000 HIS 72 0.900 10.605 19.381 13.053 -99.200 -91.000 TYR 76 0.840 13.558 14.862 10.775 -99.200 -91.000 PHE 79 1.000 17.674 12.643 6.204 -99.200 -91.000 PHE 86 1.000 15.633 3.650 13.093 -99.200 -91.000 TRP 98 1.040 22.568 22.104 9.327 -99.200 -91.000 TRP6 98 1.020 22.169 23.251 7.292 -99.200 -91.000 PHE 104 1.000 22.954 18.465 11.721 -99.200 -91.000 PHE 121 1.000 23.991 0.639 -2.604 -99.200 -91.000 TYR 122 0.840 21.900 7.255 0.715 -99.200 -91.000 PHE 137 1.000 35.255 -9.223 25.956 -99.200 -91.000 TYR 145 0.840 14.543 -1.082 19.871 -99.200 -91.000 PHE 160 1.000 12.343 -5.428 0.887 -99.200 -91.000 PHE 163 1.000 20.180 0.199 4.848 -99.200 -91.000 TYR 167 0.840 30.302 -4.077 9.764 -99.200 -91.000 TRP 172 1.040 46.535 -1.873 14.845 -99.200 -91.000 TRP6 172 1.020 47.448 -1.856 17.031 -99.200 -91.000 PHE 186 1.000 34.101 -4.680 2.111 -99.200 -91.000 PHE 190 1.000 21.892 -5.300 5.426 -99.200 -91.000 TYR 198 0.840 26.559 -13.508 21.937 -99.200 -91.000 TRP 201 1.040 19.656 -9.995 24.282 -99.200 -91.000 TRP6 201 1.020 18.023 -8.670 23.196 -99.200 -91.000 PHE 209 1.000 30.189 -8.582 12.972 -99.200 -91.000 HIS 210 0.900 37.188 -10.246 17.364 -99.200 -91.000 PHE 218 1.000 20.666 -14.451 3.649 -99.200 -91.000 TRP 225 1.040 20.700 -10.711 6.130 -99.200 -91.000 TRP6 225 1.020 20.576 -9.224 7.967 -99.200 -91.000 TYR 229 0.840 18.478 -8.683 13.270 -99.200 -91.000 HIS 232 0.900 19.366 -14.701 15.994 -99.200 -91.000 PHE 233 1.000 15.320 -7.370 18.440 -99.200 -91.000 PHE 248 1.000 21.354 -10.413 35.281 -99.200 -91.000 PHE 252 1.000 21.939 -11.586 42.934 -99.200 -91.000 TYR 255 0.840 21.967 -13.239 49.298 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gihA1 SER 2 HA -0.00 -0.11 0.15 -0.75 4.49 3.78 2gihA1 SER 2 HB2 0.12 0.02 -0.01 -0.04 3.95 4.04 2gihA1 SER 2 HB3 0.01 0.07 -0.01 -0.04 3.93 3.96 2gihA1 PHE 3 H 0.08 0.05 0.06 -0.55 8.34 7.98 2gihA1 PHE 3 HA 0.05 0.24 0.65 -0.75 4.62 4.81 2gihA1 PHE 3 HB2 0.07 -0.06 -0.01 -0.04 3.15 3.11 2gihA1 PHE 3 HB3 0.05 0.05 -0.01 -0.04 3.06 3.10 2gihA1 PHE 3 HD2 0.07 -0.03 -0.05 -0.04 7.28 7.23 2gihA1 PHE 3 HE2 0.07 0.08 -0.14 -0.04 7.38 7.35 2gihA1 PHE 3 HZ 0.30 0.13 -0.07 -0.04 7.32 7.64 2gihA1 ILE 4 H 0.13 -0.06 -0.07 -0.55 8.25 7.71 2gihA1 ILE 4 HA 0.08 0.17 0.37 -0.75 4.18 4.04 2gihA1 ILE 4 HB -0.02 -0.08 0.02 -0.04 1.89 1.78 2gihA1 ILE 4 HG12 0.21 -0.08 -0.05 -0.04 1.49 1.53 2gihA1 ILE 4 HG13 0.26 0.01 -0.11 -0.04 1.21 1.34 2gihA1 ILE 4 HG23 -0.08 0.02 -0.24 -0.04 0.93 0.58 2gihA1 ILE 4 HD13 0.16 0.03 -0.13 -0.04 0.88 0.91 2gihA1 LYS 5 H -0.32 0.05 -0.16 -0.55 8.42 7.43 2gihA1 LYS 5 HA -0.50 -0.03 0.23 -0.75 4.32 3.27 2gihA1 LYS 5 HB2 -0.31 -0.05 0.01 -0.04 1.87 1.48 2gihA1 LYS 5 HB3 -0.11 0.16 -0.06 -0.04 1.79 1.74 2gihA1 LYS 5 HG2 -0.06 0.04 -0.21 -0.04 1.46 1.19 2gihA1 LYS 5 HG3 -0.19 -0.07 0.01 -0.04 1.46 1.17 2gihA1 LYS 5 HD2 0.05 -0.03 -0.05 -0.04 1.69 1.62 2gihA1 LYS 5 HD3 0.00 0.06 -0.06 -0.04 1.68 1.64 2gihA1 LYS 5 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 2gihA1 LYS 5 HE3 0.01 -0.03 -0.03 -0.04 2.99 2.90 2gihA1 PRO 6 HA 0.00 0.03 0.37 -0.51 4.44 4.33 2gihA1 PRO 6 HB2 0.05 0.11 -0.07 -0.04 2.28 2.32 2gihA1 PRO 6 HB3 0.02 -0.00 0.05 -0.04 2.02 2.05 2gihA1 PRO 6 HG2 0.02 0.14 0.02 -0.04 2.03 2.17 2gihA1 PRO 6 HG3 -0.02 -0.01 -0.01 -0.04 2.03 1.95 2gihA1 PRO 6 HD2 0.00 0.07 -1.06 -0.04 3.68 2.65 2gihA1 PRO 6 HD3 -0.06 0.03 -0.24 -0.04 3.65 3.34 2gihA1 ILE 7 H 0.03 0.64 -0.41 -0.55 8.25 7.95 2gihA1 ILE 7 HA 0.05 0.19 0.97 -0.75 4.18 4.63 2gihA1 ILE 7 HB 0.16 -0.10 0.16 -0.04 1.89 2.07 2gihA1 ILE 7 HG12 0.10 0.20 0.03 -0.04 1.49 1.78 2gihA1 ILE 7 HG13 0.16 -0.07 -0.17 -0.04 1.21 1.09 2gihA1 ILE 7 HG23 0.06 0.02 -0.16 -0.04 0.93 0.81 2gihA1 ILE 7 HD13 0.22 -0.01 -0.08 -0.04 0.88 0.97 2gihA1 TYR 8 H 0.06 0.64 -0.11 -0.55 8.29 8.32 2gihA1 TYR 8 HA -0.10 0.05 0.37 -0.75 4.56 4.13 2gihA1 TYR 8 HB2 -0.36 -0.05 -0.04 -0.04 3.06 2.57 2gihA1 TYR 8 HB3 -0.14 0.10 0.11 -0.04 2.98 3.01 2gihA1 TYR 8 HD2 -0.06 0.02 -0.09 -0.04 7.15 6.98 2gihA1 TYR 8 HE2 0.07 0.04 -0.15 -0.04 6.85 6.77 2gihA1 GLN 9 H -0.00 0.24 -0.14 -0.55 8.47 8.01 2gihA1 GLN 9 HA -0.24 0.05 0.33 -0.75 4.36 3.75 2gihA1 ASP 10 H -0.05 0.13 -0.56 -0.55 8.40 7.38 2gihA1 ASP 10 HA -0.04 0.08 0.38 -0.75 4.63 4.30 2gihA1 ASP 10 HB2 0.11 0.19 0.08 -0.04 2.71 3.06 2gihA1 ASP 10 HB3 0.14 0.02 -0.04 -0.04 2.70 2.78 2gihA1 ILE 11 H -0.17 0.46 -0.05 -0.55 8.25 7.94 2gihA1 ILE 11 HA -0.73 0.06 0.32 -0.75 4.18 3.08 2gihA1 ILE 11 HB -0.18 0.04 0.09 -0.04 1.89 1.80 2gihA1 ILE 11 HG12 -0.59 -0.02 -0.03 -0.04 1.49 0.81 2gihA1 ILE 11 HG13 -0.06 0.30 0.09 -0.04 1.21 1.50 2gihA1 ILE 11 HG23 -0.20 -0.02 -0.12 -0.04 0.93 0.55 2gihA1 ILE 11 HD13 0.13 -0.03 -0.11 -0.04 0.88 0.83 2gihA1 ASN 12 H -0.41 0.70 -0.19 -0.55 8.53 8.09 2gihA1 ASN 12 HA -0.22 -0.00 0.43 -0.75 4.76 4.21 2gihA1 ASN 12 HB2 -0.73 -0.04 0.02 -0.04 2.88 2.08 2gihA1 ASN 12 HB3 -0.45 0.08 0.12 -0.04 2.79 2.50 2gihA1 ASN 12 HD21 -0.07 0.00 0.02 -0.04 7.03 6.94 2gihA1 ASN 12 HD22 -0.14 -0.03 0.01 -0.04 7.74 7.53 2gihA1 SER 13 H -0.17 0.64 -0.13 -0.55 8.46 8.25 2gihA1 SER 13 HA -0.08 0.00 0.42 -0.75 4.49 4.09 2gihA1 SER 13 HB2 -0.07 0.08 0.18 -0.04 3.95 4.09 2gihA1 SER 13 HB3 -0.04 -0.05 0.15 -0.04 3.93 3.95 2gihA1 ILE 14 H -0.14 0.20 -0.83 -0.55 8.25 6.93 2gihA1 ILE 14 HA -0.03 0.14 0.82 -0.75 4.18 4.36 2gihA1 ILE 14 HB -0.21 0.05 0.01 -0.04 1.89 1.70 2gihA1 ILE 14 HG12 -0.05 0.14 -0.24 -0.04 1.49 1.29 2gihA1 ILE 14 HG13 0.05 -0.10 -0.09 -0.04 1.21 1.03 2gihA1 ILE 14 HG23 0.02 -0.03 0.05 -0.04 0.93 0.93 2gihA1 ILE 14 HD13 0.01 0.03 -0.03 -0.04 0.88 0.85 2gihA1 LEU 15 H -0.10 0.25 -0.07 -0.55 8.37 7.90 2gihA1 LEU 15 HA -0.00 0.13 0.89 -0.75 4.35 4.61 2gihA1 LEU 15 HB2 -0.11 0.14 0.23 -0.04 1.64 1.86 2gihA1 LEU 15 HB3 -0.08 -0.11 -0.07 -0.04 1.64 1.34 2gihA1 LEU 15 HG -0.10 0.03 -0.09 -0.04 1.64 1.45 2gihA1 LEU 15 HD13 -0.06 -0.03 -0.16 -0.04 0.93 0.63 2gihA1 LEU 15 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.84 2gihA1 ILE 16 H -0.06 0.42 0.16 -0.55 8.25 8.23 2gihA1 ILE 16 HA -0.02 0.07 0.34 -0.75 4.18 3.81 2gihA1 ILE 16 HB -0.03 -0.00 0.07 -0.04 1.89 1.89 2gihA1 ILE 16 HG12 -0.07 0.46 0.14 -0.04 1.49 1.97 2gihA1 ILE 16 HG13 -0.05 -0.05 -0.02 -0.04 1.21 1.05 2gihA1 ILE 16 HG23 -0.01 0.01 -0.10 -0.04 0.93 0.79 2gihA1 ILE 16 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 2gihA1 GLY 17 H 0.02 0.84 0.34 -0.55 8.43 9.08 2gihA1 GLY 17 HA2 0.04 -0.05 0.36 -0.51 4.01 3.85 2gihA1 GLY 17 HA3 0.03 0.08 0.54 -0.51 4.01 4.15 2gihA1 GLN 18 H 0.06 0.36 -0.79 -0.55 8.47 7.55 2gihA1 GLN 18 HA 0.07 -0.02 0.39 -0.75 4.36 4.05 2gihA1 GLN 18 HB2 0.07 0.09 -0.00 -0.04 2.15 2.27 2gihA1 GLN 18 HB3 0.16 0.20 0.16 -0.04 2.02 2.50 2gihA1 GLN 18 HG2 0.14 0.01 -0.01 -0.04 2.40 2.49 2gihA1 GLN 18 HG3 0.22 -0.10 -0.31 -0.04 2.39 2.16 2gihA1 GLN 18 HE21 0.01 -0.03 0.09 -0.04 6.97 7.00 2gihA1 GLN 18 HE22 0.00 0.03 -0.18 -0.04 7.69 7.50 2gihA1 LYS 19 H 0.06 0.15 0.25 -0.55 8.42 8.33 2gihA1 LYS 19 HA 0.15 0.43 1.26 -0.75 4.32 5.41 2gihA1 LYS 19 HB2 0.03 -0.10 -0.05 -0.04 1.87 1.70 2gihA1 LYS 19 HB3 0.08 0.02 -0.06 -0.04 1.79 1.79 2gihA1 LYS 19 HG2 0.03 -0.02 0.18 -0.04 1.46 1.62 2gihA1 LYS 19 HG3 0.01 -0.05 0.00 -0.04 1.46 1.38 2gihA1 LYS 19 HD2 0.04 0.09 -0.00 -0.04 1.69 1.78 2gihA1 LYS 19 HD3 0.02 -0.01 0.01 -0.04 1.68 1.66 2gihA1 LYS 19 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.88 2gihA1 LYS 19 HE3 0.03 -0.03 -0.07 -0.04 2.99 2.87 2gihA1 VAL 20 H -0.18 0.52 0.37 -0.55 8.24 8.40 2gihA1 VAL 20 HA -0.18 0.19 0.96 -0.75 4.13 4.35 2gihA1 VAL 20 HB -0.39 -0.04 0.06 -0.04 2.12 1.72 2gihA1 VAL 20 HG13 -0.39 0.01 -0.23 -0.04 0.97 0.31 2gihA1 VAL 20 HG23 -1.10 0.02 -0.06 -0.04 0.95 -0.24 2gihA1 LYS 21 H -0.16 0.10 0.14 -0.55 8.42 7.94 2gihA1 LYS 21 HA -0.10 0.06 0.40 -0.75 4.32 3.93 2gihA1 LYS 21 HB2 -0.12 -0.05 0.04 -0.04 1.87 1.69 2gihA1 LYS 21 HB3 -0.09 0.12 0.09 -0.04 1.79 1.87 2gihA1 LYS 21 HG2 -0.09 -0.05 0.12 -0.04 1.46 1.40 2gihA1 LYS 21 HG3 -0.07 0.02 0.05 -0.04 1.46 1.42 2gihA1 LYS 21 HD2 -0.07 -0.04 -0.06 -0.04 1.69 1.48 2gihA1 LYS 21 HD3 -0.05 0.01 0.00 -0.04 1.68 1.61 2gihA1 LYS 21 HE2 -0.04 -0.00 0.02 -0.04 2.99 2.93 2gihA1 LYS 21 HE3 -0.05 0.06 0.07 -0.04 2.99 3.02 2gihA1 ARG 22 H -0.09 0.28 0.26 -0.55 8.46 8.36 2gihA1 ARG 22 HA -0.17 0.03 0.48 -0.75 4.34 3.92 2gihA1 ARG 22 HB2 -0.05 0.14 -0.02 -0.04 1.90 1.93 2gihA1 ARG 22 HB3 -0.05 -0.04 0.13 -0.04 1.80 1.81 2gihA1 ARG 22 HG2 -0.03 0.08 -0.09 -0.04 1.67 1.58 2gihA1 ARG 22 HG3 -0.04 -0.10 0.03 -0.04 1.67 1.52 2gihA1 ARG 22 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.13 2gihA1 ARG 22 HD3 -0.00 -0.03 0.05 -0.04 3.22 3.20 2gihA1 PRO 23 HA -0.09 -0.00 0.39 -0.51 4.44 4.23 2gihA1 PRO 23 HB2 -0.04 -0.14 -0.16 -0.04 2.28 1.90 2gihA1 PRO 23 HB3 -0.08 0.04 -0.16 -0.04 2.02 1.77 2gihA1 PRO 23 HG2 -0.03 0.37 -0.09 -0.04 2.03 2.24 2gihA1 PRO 23 HG3 -0.05 -0.08 -0.16 -0.04 2.03 1.69 2gihA1 PRO 23 HD2 -0.13 0.16 0.19 -0.04 3.68 3.86 2gihA1 PRO 23 HD3 -0.22 0.01 0.15 -0.04 3.65 3.54 2gihA1 LYS 24 H -0.05 0.14 0.17 -0.55 8.42 8.12 2gihA1 LYS 24 HA -0.03 0.15 0.41 -0.75 4.32 4.10 2gihA1 SER 25 H -0.03 -0.02 -0.47 -0.55 8.46 7.39 2gihA1 SER 25 HA -0.01 0.13 0.37 -0.75 4.49 4.23 2gihA1 SER 25 HB2 -0.00 -0.05 -0.06 -0.04 3.95 3.80 2gihA1 SER 25 HB3 0.00 0.03 0.12 -0.04 3.93 4.04 2gihA1 GLY 26 H -0.01 0.48 -0.69 -0.55 8.43 7.66 2gihA1 GLY 26 HA2 -0.00 0.06 0.33 -0.51 4.01 3.88 2gihA1 GLY 26 HA3 0.00 0.05 0.45 -0.51 4.01 4.00 2gihA1 THR 27 H 0.01 0.08 -0.89 -0.55 8.28 6.93 2gihA1 THR 27 HA 0.03 0.13 0.40 -0.75 4.39 4.19 2gihA1 THR 27 HB 0.04 -0.25 0.24 -0.04 4.32 4.31 2gihA1 THR 27 HG23 0.02 0.08 0.04 -0.04 1.22 1.32 2gihA1 LEU 28 H 0.07 -0.14 0.23 -0.55 8.37 7.98 2gihA1 LEU 28 HA 0.10 0.10 0.49 -0.75 4.35 4.29 2gihA1 LEU 28 HB2 0.10 0.20 -0.25 -0.04 1.64 1.65 2gihA1 LEU 28 HB3 0.13 -0.03 -0.04 -0.04 1.64 1.65 2gihA1 LEU 28 HG 0.42 -0.07 0.16 -0.04 1.64 2.11 2gihA1 LEU 28 HD13 0.20 0.01 0.05 -0.04 0.93 1.14 2gihA1 LEU 28 HD23 0.18 -0.01 0.01 -0.04 0.89 1.03 2gihA1 SER 29 H 0.09 -0.07 0.23 -0.55 8.46 8.16 2gihA1 SER 29 HA 0.16 0.26 1.02 -0.75 4.49 5.17 2gihA1 SER 29 HB2 0.08 0.01 0.12 -0.04 3.95 4.12 2gihA1 SER 29 HB3 0.08 0.04 0.03 -0.04 3.93 4.04 2gihA1 GLY 30 H 0.11 0.15 0.18 -0.55 8.43 8.33 2gihA1 GLY 30 HA2 0.09 0.08 0.37 -0.51 4.01 4.03 2gihA1 GLY 30 HA3 0.09 0.11 0.70 -0.51 4.01 4.40 2gihA1 HIS 31 H 0.17 0.15 0.17 -0.55 8.41 8.35 2gihA1 HIS 31 HA 0.08 0.15 0.40 -0.75 4.63 4.51 2gihA1 HIS 31 HB2 0.03 0.03 0.13 -0.04 3.26 3.41 2gihA1 HIS 31 HB3 0.03 -0.05 0.11 -0.04 3.20 3.25 2gihA1 HIS 31 HD2 0.01 -0.03 -0.10 -0.04 6.97 6.81 2gihA1 HIS 31 HE1 0.05 0.04 0.02 -0.04 7.75 7.81 2gihA1 ALA 32 H 0.07 -0.00 -0.26 -0.55 8.40 7.66 2gihA1 ALA 32 HA -0.10 0.04 0.30 -0.75 4.34 3.82 2gihA1 ALA 32 HB3 0.00 0.01 0.00 -0.04 1.41 1.39 2gihA1 ALA 33 H 0.04 0.17 -0.44 -0.55 8.40 7.62 2gihA1 ALA 33 HA -0.19 0.00 0.43 -0.75 4.34 3.83 2gihA1 ALA 33 HB3 0.07 -0.00 -0.17 -0.04 1.41 1.27 2gihA1 GLY 34 H -0.45 0.16 0.17 -0.55 8.43 7.77 2gihA1 GLY 34 HA2 -0.57 -0.01 0.29 -0.51 4.01 3.21 2gihA1 GLY 34 HA3 -0.25 0.18 0.57 -0.51 4.01 4.01 2gihA1 GLU 35 H -0.20 0.48 -0.27 -0.55 8.60 8.07 2gihA1 GLU 35 HA -0.13 0.05 0.35 -0.75 4.29 3.80 2gihA1 GLU 35 HB2 -0.33 0.25 0.12 -0.04 2.09 2.09 2gihA1 GLU 35 HB3 -0.16 -0.01 0.08 -0.04 1.99 1.86 2gihA1 GLU 35 HG2 -0.08 -0.09 -0.11 -0.04 2.34 2.03 2gihA1 GLU 35 HG3 -0.22 0.00 0.04 -0.04 2.34 2.12 2gihA1 PRO 36 HA -0.09 0.04 0.43 -0.51 4.44 4.32 2gihA1 PRO 36 HB2 -0.29 0.06 -0.06 -0.04 2.28 1.95 2gihA1 PRO 36 HB3 -0.17 0.04 0.06 -0.04 2.02 1.91 2gihA1 PRO 36 HG2 -0.50 0.01 -0.05 -0.04 2.03 1.45 2gihA1 PRO 36 HG3 -0.29 0.17 -0.01 -0.04 2.03 1.85 2gihA1 PRO 36 HD2 -0.26 -0.07 0.01 -0.04 3.68 3.32 2gihA1 PRO 36 HD3 -0.18 0.14 0.06 -0.04 3.65 3.63 2gihA1 PHE 37 H -0.17 0.30 -0.38 -0.55 8.34 7.54 2gihA1 PHE 37 HA -0.01 0.05 0.37 -0.75 4.62 4.27 2gihA1 PHE 37 HB2 -0.03 0.35 0.15 -0.04 3.15 3.57 2gihA1 PHE 37 HB3 0.05 -0.02 -0.04 -0.04 3.06 3.02 2gihA1 PHE 37 HD2 -0.18 -0.00 0.00 -0.04 7.28 7.06 2gihA1 PHE 37 HE2 -0.11 0.01 -0.17 -0.04 7.38 7.07 2gihA1 PHE 37 HZ 0.03 0.12 -0.21 -0.04 7.32 7.22 2gihA1 GLU 38 H 0.12 0.36 -0.25 -0.55 8.60 8.28 2gihA1 GLU 38 HA 0.16 0.03 0.44 -0.75 4.29 4.16 2gihA1 GLU 38 HB2 0.06 0.20 0.17 -0.04 2.09 2.49 2gihA1 GLU 38 HB3 0.12 -0.06 0.00 -0.04 1.99 2.01 2gihA1 GLU 38 HG2 0.16 0.01 -0.14 -0.04 2.34 2.33 2gihA1 GLU 38 HG3 0.13 0.04 -0.06 -0.04 2.34 2.41 2gihA1 LYS 39 H 0.05 0.42 -0.11 -0.55 8.42 8.23 2gihA1 LYS 39 HA 0.12 0.02 0.47 -0.75 4.32 4.17 2gihA1 LYS 39 HB2 0.02 0.13 0.12 -0.04 1.87 2.10 2gihA1 LYS 39 HB3 0.06 -0.03 0.03 -0.04 1.79 1.82 2gihA1 LYS 39 HG2 0.01 0.08 -0.01 -0.04 1.46 1.50 2gihA1 LYS 39 HG3 0.00 -0.02 -0.01 -0.04 1.46 1.39 2gihA1 LYS 39 HD2 0.03 -0.00 0.01 -0.04 1.69 1.69 2gihA1 LYS 39 HD3 0.02 -0.01 -0.04 -0.04 1.68 1.60 2gihA1 LYS 39 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2gihA1 LYS 39 HE3 0.01 0.01 -0.05 -0.04 2.99 2.92 2gihA1 LEU 40 H 0.10 0.42 -0.37 -0.55 8.37 7.96 2gihA1 LEU 40 HA 0.10 0.02 0.43 -0.75 4.35 4.15 2gihA1 LEU 40 HB2 0.07 0.06 0.11 -0.04 1.64 1.83 2gihA1 LEU 40 HB3 0.16 0.25 0.19 -0.04 1.64 2.20 2gihA1 LEU 40 HG 0.10 0.02 -0.09 -0.04 1.64 1.63 2gihA1 LEU 40 HD13 0.07 -0.02 0.00 -0.04 0.93 0.95 2gihA1 LEU 40 HD23 0.14 -0.00 -0.04 -0.04 0.89 0.95 2gihA1 VAL 41 H 0.16 0.48 -0.07 -0.55 8.24 8.26 2gihA1 VAL 41 HA 0.13 0.05 0.35 -0.75 4.13 3.91 2gihA1 VAL 41 HB 0.17 0.08 0.15 -0.04 2.12 2.48 2gihA1 VAL 41 HG13 0.16 -0.03 -0.13 -0.04 0.97 0.93 2gihA1 VAL 41 HG23 0.11 0.09 0.01 -0.04 0.95 1.13 2gihA1 TYR 42 H 0.27 0.53 -0.18 -0.55 8.29 8.36 2gihA1 TYR 42 HA 0.09 -0.02 0.37 -0.75 4.56 4.25 2gihA1 TYR 42 HB2 0.08 0.02 0.09 -0.04 3.06 3.21 2gihA1 TYR 42 HB3 0.07 0.11 0.13 -0.04 2.98 3.24 2gihA1 TYR 42 HD2 0.05 0.03 -0.09 -0.04 7.15 7.09 2gihA1 TYR 42 HE2 0.01 -0.01 -0.15 -0.04 6.85 6.66 2gihA1 LYS 43 H 0.19 0.56 -0.25 -0.55 8.42 8.36 2gihA1 LYS 43 HA -0.08 -0.01 0.38 -0.75 4.32 3.85 2gihA1 LYS 43 HB2 0.10 0.13 0.16 -0.04 1.87 2.23 2gihA1 LYS 43 HB3 0.05 -0.04 0.00 -0.04 1.79 1.76 2gihA1 LYS 43 HG2 0.10 -0.07 0.03 -0.04 1.46 1.48 2gihA1 LYS 43 HG3 0.17 0.18 0.09 -0.04 1.46 1.86 2gihA1 LYS 43 HD2 0.07 0.01 -0.04 -0.04 1.69 1.68 2gihA1 LYS 43 HD3 0.05 -0.02 -0.01 -0.04 1.68 1.66 2gihA1 LYS 43 HE2 0.07 -0.02 -0.01 -0.04 2.99 2.99 2gihA1 LYS 43 HE3 0.09 -0.02 -0.02 -0.04 2.99 3.01 2gihA1 PHE 44 H 0.21 0.48 -0.35 -0.55 8.34 8.12 2gihA1 PHE 44 HA -0.02 0.05 0.44 -0.75 4.62 4.33 2gihA1 PHE 44 HB2 0.02 0.06 0.07 -0.04 3.15 3.25 2gihA1 PHE 44 HB3 0.02 0.16 0.17 -0.04 3.06 3.37 2gihA1 PHE 44 HD2 0.01 0.02 -0.13 -0.04 7.28 7.13 2gihA1 PHE 44 HE2 -0.00 0.00 -0.11 -0.04 7.38 7.23 2gihA1 PHE 44 HZ -0.01 -0.03 -0.13 -0.04 7.32 7.11 2gihA1 LEU 45 H 0.12 0.56 -0.10 -0.55 8.37 8.40 2gihA1 LEU 45 HA -0.07 -0.00 0.34 -0.75 4.35 3.86 2gihA1 LEU 45 HB2 -0.04 0.14 0.18 -0.04 1.64 1.88 2gihA1 LEU 45 HB3 -0.11 -0.04 -0.10 -0.04 1.64 1.35 2gihA1 LEU 45 HG 0.08 -0.06 -0.09 -0.04 1.64 1.53 2gihA1 LEU 45 HD13 0.17 -0.02 -0.09 -0.04 0.93 0.95 2gihA1 LEU 45 HD23 0.19 0.03 -0.12 -0.04 0.89 0.95 2gihA1 LYS 46 H -0.32 0.69 -0.12 -0.55 8.42 8.11 2gihA1 LYS 46 HA -0.29 0.02 0.34 -0.75 4.32 3.64 2gihA1 LYS 46 HB2 -0.28 0.07 0.06 -0.04 1.87 1.68 2gihA1 LYS 46 HB3 -0.23 -0.02 0.03 -0.04 1.79 1.53 2gihA1 LYS 46 HG2 -1.13 0.07 -0.03 -0.04 1.46 0.33 2gihA1 LYS 46 HG3 -0.62 -0.06 -0.06 -0.04 1.46 0.68 2gihA1 LYS 46 HD2 -0.35 0.02 -0.00 -0.04 1.69 1.32 2gihA1 LYS 46 HD3 -0.37 -0.06 -0.11 -0.04 1.68 1.09 2gihA1 LYS 46 HE2 -0.06 -0.06 -0.01 -0.04 2.99 2.81 2gihA1 LYS 46 HE3 -0.16 0.00 0.04 -0.04 2.99 2.83 2gihA1 GLU 47 H -0.22 0.31 -0.61 -0.55 8.60 7.54 2gihA1 GLU 47 HA -0.15 0.08 0.71 -0.75 4.29 4.18 2gihA1 GLU 47 HB2 -0.21 0.13 0.20 -0.04 2.09 2.17 2gihA1 GLU 47 HB3 -0.17 -0.08 0.06 -0.04 1.99 1.76 2gihA1 GLU 47 HG2 -0.08 -0.07 0.04 -0.04 2.34 2.19 2gihA1 GLU 47 HG3 -0.09 -0.00 -0.01 -0.04 2.34 2.19 2gihA1 ASN 48 H -0.32 0.28 -0.12 -0.55 8.53 7.83 2gihA1 ASN 48 HA -0.21 0.21 1.01 -0.75 4.76 5.01 2gihA1 ASN 48 HB2 -0.61 0.04 -0.00 -0.04 2.88 2.26 2gihA1 ASN 48 HB3 -0.27 -0.05 0.10 -0.04 2.79 2.52 2gihA1 ASN 48 HD21 -0.54 -0.04 -0.11 -0.04 7.03 6.30 2gihA1 ASN 48 HD22 -1.01 0.40 -0.02 -0.04 7.74 7.07 2gihA1 LEU 49 H -0.20 0.59 0.04 -0.55 8.37 8.25 2gihA1 LEU 49 HA -0.12 0.14 0.67 -0.75 4.35 4.28 2gihA1 LEU 49 HB2 -0.11 0.08 0.09 -0.04 1.64 1.65 2gihA1 LEU 49 HB3 -0.14 -0.13 0.18 -0.04 1.64 1.51 2gihA1 LEU 49 HG -0.07 0.08 -0.40 -0.04 1.64 1.22 2gihA1 LEU 49 HD13 0.05 -0.00 -0.12 -0.04 0.93 0.82 2gihA1 LEU 49 HD23 -0.04 0.01 0.05 -0.04 0.89 0.86 2gihA1 SER 50 H -0.16 0.20 -0.18 -0.55 8.46 7.78 2gihA1 SER 50 HA -0.21 0.10 0.42 -0.75 4.49 4.05 2gihA1 ASP 51 H -0.14 0.06 -0.31 -0.55 8.40 7.46 2gihA1 ASP 51 HA -0.15 0.20 0.71 -0.75 4.63 4.64 2gihA1 ASP 51 HB2 -0.09 -0.02 0.01 -0.04 2.71 2.57 2gihA1 ASP 51 HB3 -0.06 0.02 0.13 -0.04 2.70 2.75 2gihA1 LEU 52 H -0.21 0.52 -0.12 -0.55 8.37 8.00 2gihA1 LEU 52 HA -0.10 0.35 1.08 -0.75 4.35 4.92 2gihA1 LEU 52 HB2 -0.25 0.06 0.09 -0.04 1.64 1.50 2gihA1 LEU 52 HB3 -0.39 -0.19 0.06 -0.04 1.64 1.08 2gihA1 LEU 52 HG -0.35 0.16 -0.12 -0.04 1.64 1.28 2gihA1 LEU 52 HD13 -0.16 -0.07 -0.24 -0.04 0.93 0.42 2gihA1 LEU 52 HD23 -0.72 -0.02 -0.09 -0.04 0.89 0.02 2gihA1 THR 53 H -0.31 0.28 0.05 -0.55 8.28 7.76 2gihA1 THR 53 HA -0.09 0.24 0.83 -0.75 4.39 4.62 2gihA1 THR 53 HB -0.29 0.03 -0.04 -0.04 4.32 3.97 2gihA1 THR 53 HG23 -0.11 -0.03 -0.18 -0.04 1.22 0.85 2gihA1 PHE 54 H 0.14 0.49 0.40 -0.55 8.34 8.82 2gihA1 PHE 54 HA 0.06 0.14 0.76 -0.75 4.62 4.82 2gihA1 PHE 54 HB2 0.06 -0.03 -0.01 -0.04 3.15 3.13 2gihA1 PHE 54 HB3 0.08 -0.05 0.03 -0.04 3.06 3.08 2gihA1 PHE 54 HD2 0.02 -0.01 -0.21 -0.04 7.28 7.04 2gihA1 PHE 54 HE2 0.00 0.03 -0.10 -0.04 7.38 7.27 2gihA1 PHE 54 HZ 0.00 0.01 -0.08 -0.04 7.32 7.21 2gihA1 LYS 55 H 0.10 0.11 0.20 -0.55 8.42 8.27 2gihA1 LYS 55 HA 0.09 0.34 0.78 -0.75 4.32 4.77 2gihA1 LYS 55 HB2 -0.41 -0.12 0.12 -0.04 1.87 1.42 2gihA1 LYS 55 HB3 0.04 -0.01 0.13 -0.04 1.79 1.91 2gihA1 LYS 55 HG2 -0.09 0.01 -0.01 -0.04 1.46 1.32 2gihA1 LYS 55 HG3 -0.12 0.01 0.04 -0.04 1.46 1.35 2gihA1 LYS 55 HD2 -0.04 0.19 0.18 -0.04 1.69 1.97 2gihA1 LYS 55 HD3 -0.50 -0.00 0.03 -0.04 1.68 1.16 2gihA1 LYS 55 HE2 0.07 -0.04 0.06 -0.04 2.99 3.03 2gihA1 LYS 55 HE3 0.15 -0.10 0.13 -0.04 2.99 3.13 2gihA1 GLN 56 H 0.09 0.35 -0.01 -0.55 8.47 8.35 2gihA1 GLN 56 HA 0.07 0.08 0.22 -0.75 4.36 3.98 2gihA1 GLN 56 HB2 0.03 0.06 -0.01 -0.04 2.15 2.18 2gihA1 GLN 56 HB3 0.08 -0.02 0.08 -0.04 2.02 2.13 2gihA1 GLN 56 HG2 0.01 0.04 -0.15 -0.04 2.40 2.26 2gihA1 GLN 56 HG3 -0.01 -0.01 -0.00 -0.04 2.39 2.33 2gihA1 GLN 56 HE21 -0.12 -0.01 0.13 -0.04 6.97 6.92 2gihA1 GLN 56 HE22 -0.08 0.19 0.04 -0.04 7.69 7.80 2gihA1 TYR 57 H 0.35 0.10 -0.19 -0.55 8.29 8.01 2gihA1 TYR 57 HA 0.05 0.11 0.26 -0.75 4.56 4.23 2gihA1 TYR 57 HB2 0.19 0.04 -0.33 -0.04 3.06 2.92 2gihA1 TYR 57 HB3 0.06 0.07 -0.19 -0.04 2.98 2.89 2gihA1 TYR 57 HD2 0.10 0.13 -0.16 -0.04 7.15 7.18 2gihA1 TYR 57 HE2 0.05 0.06 -0.01 -0.04 6.85 6.91 2gihA1 GLU 58 H -0.41 0.07 -0.43 -0.55 8.60 7.29 2gihA1 GLU 58 HA -0.07 0.10 0.44 -0.75 4.29 4.01 2gihA1 GLU 58 HB2 0.07 -0.09 0.21 -0.04 2.09 2.24 2gihA1 GLU 58 HB3 0.14 0.11 0.05 -0.04 1.99 2.25 2gihA1 GLU 58 HG2 -0.32 0.08 0.02 -0.04 2.34 2.07 2gihA1 GLU 58 HG3 -0.86 -0.11 0.04 -0.04 2.34 1.37 2gihA1 TYR 59 H 0.10 0.51 -0.11 -0.55 8.29 8.24 2gihA1 TYR 59 HA -0.81 0.07 0.36 -0.75 4.56 3.43 2gihA1 TYR 59 HB2 -0.25 -0.02 -0.00 -0.04 3.06 2.74 2gihA1 TYR 59 HB3 -0.17 0.14 0.08 -0.04 2.98 2.99 2gihA1 TYR 59 HD2 -0.83 0.03 -0.15 -0.04 7.15 6.15 2gihA1 TYR 59 HE2 -0.24 0.02 -0.12 -0.04 6.85 6.46 2gihA1 LEU 60 H -0.03 0.42 -0.23 -0.55 8.37 7.98 2gihA1 LEU 60 HA -0.64 0.05 0.37 -0.75 4.35 3.38 2gihA1 LEU 60 HB2 0.12 0.07 0.06 -0.04 1.64 1.84 2gihA1 LEU 60 HB3 -0.08 -0.03 -0.05 -0.04 1.64 1.44 2gihA1 LEU 60 HG 0.04 0.09 -0.03 -0.04 1.64 1.69 2gihA1 LEU 60 HD13 -0.20 0.04 -0.08 -0.04 0.93 0.64 2gihA1 LEU 60 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.76 2gihA1 ASN 61 H 0.02 0.45 -0.20 -0.55 8.53 8.25 2gihA1 ASN 61 HA 0.05 0.01 0.43 -0.75 4.76 4.50 2gihA1 ASN 61 HB2 0.14 0.08 0.20 -0.04 2.88 3.26 2gihA1 ASN 61 HB3 0.26 -0.01 0.00 -0.04 2.79 3.00 2gihA1 ASN 61 HD21 0.44 0.30 0.07 -0.04 7.03 7.79 2gihA1 ASN 61 HD22 0.28 -0.05 -0.02 -0.04 7.74 7.91 2gihA1 ASP 62 H -0.17 0.59 -0.14 -0.55 8.40 8.13 2gihA1 ASP 62 HA -0.04 0.01 0.41 -0.75 4.63 4.26 2gihA1 ASP 62 HB2 0.02 -0.01 0.09 -0.04 2.71 2.77 2gihA1 ASP 62 HB3 -0.41 0.12 0.15 -0.04 2.70 2.51 2gihA1 LEU 63 H -0.68 0.57 -0.14 -0.55 8.37 7.57 2gihA1 LEU 63 HA -0.43 0.01 0.34 -0.75 4.35 3.52 2gihA1 LEU 63 HB2 -1.07 0.03 0.05 -0.04 1.64 0.61 2gihA1 LEU 63 HB3 -1.06 0.05 0.10 -0.04 1.64 0.69 2gihA1 LEU 63 HG -0.46 0.00 -0.27 -0.04 1.64 0.87 2gihA1 LEU 63 HD13 -0.31 0.01 -0.03 -0.04 0.93 0.56 2gihA1 LEU 63 HD23 -0.95 -0.02 -0.20 -0.04 0.89 -0.33 2gihA1 PHE 64 H -0.75 0.47 -0.20 -0.55 8.34 7.30 2gihA1 PHE 64 HA -0.38 0.08 0.50 -0.75 4.62 4.06 2gihA1 PHE 64 HB2 -2.21 0.04 0.01 -0.04 3.15 0.94 2gihA1 PHE 64 HB3 -1.18 0.02 -0.02 -0.04 3.06 1.83 2gihA1 PHE 64 HD2 -1.09 -0.00 -0.11 -0.04 7.28 6.03 2gihA1 PHE 64 HE2 0.01 0.04 -0.03 -0.04 7.38 7.36 2gihA1 PHE 64 HZ 0.26 -0.11 -0.09 -0.04 7.32 7.34 2gihA1 MET 65 H -0.10 0.45 -0.24 -0.55 8.47 8.03 2gihA1 MET 65 HA 0.39 -0.00 0.41 -0.75 4.52 4.56 2gihA1 MET 65 HB2 0.09 0.10 0.19 -0.04 2.15 2.49 2gihA1 MET 65 HB3 0.13 -0.07 -0.01 -0.04 2.03 2.03 2gihA1 MET 65 HG2 0.40 -0.09 0.02 -0.04 2.63 2.92 2gihA1 MET 65 HG3 0.62 0.13 0.04 -0.04 2.56 3.31 2gihA1 MET 65 HE3 0.08 -0.01 0.01 -0.04 2.10 2.14 2gihA1 LYS 66 H -0.05 0.44 -0.29 -0.55 8.42 7.97 2gihA1 LYS 66 HA 0.01 0.02 0.48 -0.75 4.32 4.08 2gihA1 LYS 66 HB2 -0.08 0.15 0.09 -0.04 1.87 1.99 2gihA1 LYS 66 HB3 -0.03 -0.08 0.03 -0.04 1.79 1.67 2gihA1 LYS 66 HG2 -0.01 -0.07 0.02 -0.04 1.46 1.36 2gihA1 LYS 66 HG3 -0.04 0.12 0.04 -0.04 1.46 1.53 2gihA1 LYS 66 HD2 -0.11 0.02 -0.08 -0.04 1.69 1.48 2gihA1 LYS 66 HD3 -0.04 -0.05 -0.01 -0.04 1.68 1.54 2gihA1 LYS 66 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.91 2gihA1 LYS 66 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.90 2gihA1 ASN 67 H 0.00 0.28 -0.44 -0.55 8.53 7.83 2gihA1 ASN 67 HA 0.01 0.14 0.87 -0.75 4.76 5.02 2gihA1 ASN 67 HB2 -0.00 0.09 0.20 -0.04 2.88 3.13 2gihA1 ASN 67 HB3 -0.00 -0.14 0.18 -0.04 2.79 2.78 2gihA1 ASN 67 HD21 -0.01 -0.00 -0.03 -0.04 7.03 6.95 2gihA1 ASN 67 HD22 -0.01 -0.07 0.00 -0.04 7.74 7.63 2gihA1 PRO 68 HA 0.12 0.16 0.36 -0.51 4.44 4.57 2gihA1 PRO 68 HB2 0.05 -0.05 0.03 -0.04 2.28 2.27 2gihA1 PRO 68 HB3 0.09 0.08 0.12 -0.04 2.02 2.26 2gihA1 PRO 68 HG2 0.03 -0.06 -0.04 -0.04 2.03 1.91 2gihA1 PRO 68 HG3 0.04 0.02 0.02 -0.04 2.03 2.07 2gihA1 PRO 68 HD2 0.03 0.19 -0.11 -0.04 3.68 3.74 2gihA1 PRO 68 HD3 0.05 0.41 -0.31 -0.04 3.65 3.76 2gihA1 ALA 69 H 0.02 0.05 -0.64 -0.55 8.40 7.28 2gihA1 ALA 69 HA 0.01 0.13 0.63 -0.75 4.34 4.36 2gihA1 ALA 69 HB3 0.00 -0.01 0.02 -0.04 1.41 1.38 2gihA1 ILE 70 H 0.00 0.67 -0.08 -0.55 8.25 8.30 2gihA1 ILE 70 HA -0.03 0.03 0.76 -0.75 4.18 4.19 2gihA1 ILE 70 HB -0.04 0.18 0.18 -0.04 1.89 2.18 2gihA1 ILE 70 HG12 -0.01 -0.06 -0.04 -0.04 1.49 1.35 2gihA1 ILE 70 HG13 -0.01 0.00 -0.02 -0.04 1.21 1.14 2gihA1 ILE 70 HG23 -0.07 -0.02 -0.30 -0.04 0.93 0.50 2gihA1 ILE 70 HD13 -0.01 0.00 -0.08 -0.04 0.88 0.75 2gihA1 ILE 71 H -0.04 0.19 0.20 -0.55 8.25 8.04 2gihA1 ILE 71 HA -0.06 0.25 0.89 -0.75 4.18 4.51 2gihA1 ILE 71 HB -0.02 -0.05 0.04 -0.04 1.89 1.82 2gihA1 ILE 71 HG12 -0.02 0.10 0.08 -0.04 1.49 1.61 2gihA1 ILE 71 HG13 -0.03 -0.09 -0.02 -0.04 1.21 1.03 2gihA1 ILE 71 HG23 0.01 0.03 -0.22 -0.04 0.93 0.71 2gihA1 ILE 71 HD13 -0.01 -0.00 -0.01 -0.04 0.88 0.82 2gihA1 GLY 72 H -0.06 0.27 0.10 -0.55 8.43 8.19 2gihA1 GLY 72 HA2 -0.03 0.03 0.44 -0.51 4.01 3.94 2gihA1 GLY 72 HA3 -0.11 0.12 0.70 -0.51 4.01 4.22 2gihA1 HIS 73 H 0.09 0.16 0.09 -0.55 8.41 8.22 2gihA1 HIS 73 HA -0.42 0.16 0.18 -0.75 4.63 3.79 2gihA1 HIS 73 HB2 -0.84 -0.01 -0.02 -0.04 3.26 2.35 2gihA1 HIS 73 HB3 -0.26 0.15 0.09 -0.04 3.20 3.14 2gihA1 HIS 73 HD2 0.04 0.03 -0.14 -0.04 6.97 6.85 2gihA1 HIS 73 HE1 -0.01 0.06 0.01 -0.04 7.75 7.77 2gihA1 GLU 74 H -0.90 0.07 -0.24 -0.55 8.60 6.98 2gihA1 GLU 74 HA -0.07 0.06 0.33 -0.75 4.29 3.86 2gihA1 GLU 74 HB2 -0.18 0.04 0.02 -0.04 2.09 1.94 2gihA1 GLU 74 HB3 -0.10 0.05 0.01 -0.04 1.99 1.91 2gihA1 GLU 74 HG2 -0.20 0.06 0.02 -0.04 2.34 2.18 2gihA1 GLU 74 HG3 -0.84 -0.06 0.03 -0.04 2.34 1.43 2gihA1 ALA 75 H -0.15 0.20 -0.16 -0.55 8.40 7.75 2gihA1 ALA 75 HA -0.01 0.06 0.48 -0.75 4.34 4.11 2gihA1 ALA 75 HB3 -0.05 0.06 0.05 -0.04 1.41 1.42 2gihA1 ARG 76 H -0.16 0.60 -0.26 -0.55 8.46 8.10 2gihA1 ARG 76 HA -0.09 0.06 0.28 -0.75 4.34 3.83 2gihA1 ARG 76 HB2 -0.34 -0.05 -0.10 -0.04 1.90 1.37 2gihA1 ARG 76 HB3 -0.70 -0.05 -0.08 -0.04 1.80 0.93 2gihA1 ARG 76 HG2 -0.51 0.07 -0.09 -0.04 1.67 1.10 2gihA1 ARG 76 HG3 -0.25 -0.04 -0.38 -0.04 1.67 0.95 2gihA1 ARG 76 HD2 -0.27 -0.21 -0.26 -0.04 3.22 2.44 2gihA1 ARG 76 HD3 -0.84 -0.02 -0.07 -0.04 3.22 2.24 2gihA1 TYR 77 H 0.09 0.47 -0.52 -0.55 8.29 7.78 2gihA1 TYR 77 HA 0.48 0.03 0.53 -0.75 4.56 4.85 2gihA1 TYR 77 HB2 0.08 0.17 0.09 -0.04 3.06 3.36 2gihA1 TYR 77 HB3 0.09 -0.09 0.01 -0.04 2.98 2.95 2gihA1 TYR 77 HD2 0.22 0.03 -0.10 -0.04 7.15 7.26 2gihA1 TYR 77 HE2 0.14 -0.09 -0.08 -0.04 6.85 6.77 2gihA1 LYS 78 H 0.17 0.54 -0.30 -0.55 8.42 8.28 2gihA1 LYS 78 HA 0.16 -0.00 0.53 -0.75 4.32 4.25 2gihA1 LYS 78 HB2 0.07 0.23 0.17 -0.04 1.87 2.30 2gihA1 LYS 78 HB3 0.07 -0.06 0.06 -0.04 1.79 1.82 2gihA1 LYS 78 HG2 0.08 -0.07 0.02 -0.04 1.46 1.44 2gihA1 LYS 78 HG3 0.08 0.24 0.13 -0.04 1.46 1.87 2gihA1 LYS 78 HD2 0.03 -0.00 0.04 -0.04 1.69 1.71 2gihA1 LYS 78 HD3 0.04 -0.02 0.01 -0.04 1.68 1.67 2gihA1 LYS 78 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 2gihA1 LYS 78 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.93 2gihA1 LEU 79 H 0.14 0.32 -0.28 -0.55 8.37 8.00 2gihA1 LEU 79 HA 0.02 0.04 0.28 -0.75 4.35 3.93 2gihA1 LEU 79 HB2 -0.01 0.15 -0.02 -0.04 1.64 1.72 2gihA1 LEU 79 HB3 -0.10 -0.00 -0.01 -0.04 1.64 1.48 2gihA1 LEU 79 HG 0.03 0.02 0.01 -0.04 1.64 1.66 2gihA1 LEU 79 HD13 0.10 0.04 -0.03 -0.04 0.93 1.00 2gihA1 LEU 79 HD23 -0.00 -0.02 -0.02 -0.04 0.89 0.81 2gihA1 PHE 80 H 0.34 0.19 -0.78 -0.55 8.34 7.55 2gihA1 PHE 80 HA 0.06 0.08 0.35 -0.75 4.62 4.35 2gihA1 PHE 80 HB2 0.03 0.13 0.03 -0.04 3.15 3.31 2gihA1 PHE 80 HB3 -0.03 -0.11 -0.07 -0.04 3.06 2.81 2gihA1 PHE 80 HD2 0.07 0.07 -0.09 -0.04 7.28 7.29 2gihA1 PHE 80 HE2 0.23 0.00 -0.13 -0.04 7.38 7.44 2gihA1 PHE 80 HZ 0.04 -0.04 -0.12 -0.04 7.32 7.15 2gihA1 ASN 81 H 0.16 0.51 -0.23 -0.55 8.53 8.43 2gihA1 ASN 81 HA 0.09 0.01 0.30 -0.75 4.76 4.40 2gihA1 ASN 81 HB2 0.10 0.14 -0.30 -0.04 2.88 2.77 2gihA1 ASN 81 HB3 0.08 -0.07 0.26 -0.04 2.79 3.03 2gihA1 ASN 81 HD21 0.04 -0.03 0.01 -0.04 7.03 7.00 2gihA1 ASN 81 HD22 0.05 -0.04 0.05 -0.04 7.74 7.76 2gihA1 SER 82 H 0.10 0.12 -0.30 -0.55 8.46 7.84 2gihA1 SER 82 HA 0.03 0.14 0.41 -0.75 4.49 4.32 2gihA1 SER 82 HB2 0.05 0.37 0.16 -0.04 3.95 4.49 2gihA1 SER 82 HB3 0.03 0.04 -0.16 -0.04 3.93 3.79 2gihA1 PRO 83 HA -0.06 0.12 0.51 -0.51 4.44 4.51 2gihA1 PRO 83 HB2 -0.05 0.05 0.04 -0.04 2.28 2.28 2gihA1 PRO 83 HB3 -0.05 0.05 0.08 -0.04 2.02 2.07 2gihA1 PRO 83 HG2 -0.02 0.11 0.06 -0.04 2.03 2.14 2gihA1 PRO 83 HG3 -0.01 0.06 0.02 -0.04 2.03 2.06 2gihA1 PRO 83 HD2 -0.02 0.13 0.20 -0.04 3.68 3.96 2gihA1 PRO 83 HD3 0.01 0.19 0.11 -0.04 3.65 3.92 2gihA1 THR 84 H -0.03 0.17 -0.16 -0.55 8.28 7.72 2gihA1 THR 84 HA -0.01 0.13 0.43 -0.75 4.39 4.18 2gihA1 THR 84 HB 0.05 -0.02 0.03 -0.04 4.32 4.33 2gihA1 THR 84 HG23 0.15 0.02 -0.10 -0.04 1.22 1.25 2gihA1 LEU 85 H -0.08 0.12 -0.19 -0.55 8.37 7.68 2gihA1 LEU 85 HA -0.34 0.06 0.33 -0.75 4.35 3.64 2gihA1 LEU 85 HB2 -0.14 -0.02 0.04 -0.04 1.64 1.48 2gihA1 LEU 85 HB3 -0.06 0.12 -0.09 -0.04 1.64 1.57 2gihA1 LEU 85 HG -0.70 0.15 -0.06 -0.04 1.64 0.99 2gihA1 LEU 85 HD13 -0.36 -0.01 -0.12 -0.04 0.93 0.39 2gihA1 LEU 85 HD23 -0.72 -0.02 -0.08 -0.04 0.89 0.02 2gihA1 LEU 86 H -0.16 0.43 -0.33 -0.55 8.37 7.76 2gihA1 LEU 86 HA -1.10 0.01 0.37 -0.75 4.35 2.87 2gihA1 LEU 86 HB2 -0.27 0.09 0.12 -0.04 1.64 1.54 2gihA1 LEU 86 HB3 -0.21 0.07 0.14 -0.04 1.64 1.60 2gihA1 LEU 86 HG -0.28 0.03 -0.00 -0.04 1.64 1.35 2gihA1 LEU 86 HD13 -0.35 -0.00 -0.27 -0.04 0.93 0.26 2gihA1 LEU 86 HD23 -0.97 -0.02 0.05 -0.04 0.89 -0.09 2gihA1 PHE 87 H -0.07 0.36 -0.35 -0.55 8.34 7.73 2gihA1 PHE 87 HA -0.26 -0.01 0.38 -0.75 4.62 3.98 2gihA1 PHE 87 HB2 -0.17 0.01 0.11 -0.04 3.15 3.05 2gihA1 PHE 87 HB3 -0.18 0.11 0.17 -0.04 3.06 3.12 2gihA1 PHE 87 HD2 -0.15 0.00 -0.08 -0.04 7.28 7.01 2gihA1 PHE 87 HE2 -0.14 0.01 -0.04 -0.04 7.38 7.16 2gihA1 PHE 87 HZ -0.23 -0.06 0.00 -0.04 7.32 6.99 2gihA1 LEU 88 H -0.20 0.39 -0.26 -0.55 8.37 7.75 2gihA1 LEU 88 HA -0.49 0.04 0.47 -0.75 4.35 3.62 2gihA1 LEU 88 HB2 -0.37 0.07 0.11 -0.04 1.64 1.41 2gihA1 LEU 88 HB3 -0.34 -0.08 -0.04 -0.04 1.64 1.14 2gihA1 LEU 88 HG -0.15 0.10 -0.02 -0.04 1.64 1.53 2gihA1 LEU 88 HD13 -0.94 -0.03 -0.12 -0.04 0.93 -0.19 2gihA1 LEU 88 HD23 -0.15 -0.01 -0.06 -0.04 0.89 0.62 2gihA1 LEU 89 H -0.33 0.45 -0.13 -0.55 8.37 7.81 2gihA1 LEU 89 HA -0.19 0.19 1.15 -0.75 4.35 4.75 2gihA1 LEU 89 HB2 0.03 0.04 -0.06 -0.04 1.64 1.61 2gihA1 LEU 89 HB3 0.01 -0.08 -0.00 -0.04 1.64 1.52 2gihA1 LEU 89 HG -0.26 0.10 -0.08 -0.04 1.64 1.35 2gihA1 LEU 89 HD13 -0.21 -0.01 -0.12 -0.04 0.93 0.54 2gihA1 LEU 89 HD23 -0.20 0.02 -0.31 -0.04 0.89 0.36 2gihA1 SER 90 H -0.44 0.53 0.07 -0.55 8.46 8.08 2gihA1 SER 90 HA -0.03 0.02 0.32 -0.75 4.49 4.05 2gihA1 SER 90 HB2 -0.07 -0.20 0.07 -0.04 3.95 3.71 2gihA1 SER 90 HB3 -0.71 0.04 0.16 -0.04 3.93 3.38 2gihA1 ARG 91 H 0.14 0.09 0.09 -0.55 8.46 8.22 2gihA1 ARG 91 HA -0.11 0.30 0.94 -0.75 4.34 4.72 2gihA1 ARG 91 HB2 -0.20 0.01 -0.00 -0.04 1.90 1.67 2gihA1 ARG 91 HB3 -0.16 -0.04 0.08 -0.04 1.80 1.63 2gihA1 ARG 91 HG2 -0.43 0.09 -0.15 -0.04 1.67 1.15 2gihA1 ARG 91 HG3 -1.29 -0.01 -0.04 -0.04 1.67 0.29 2gihA1 ARG 91 HD2 -0.20 -0.05 0.03 -0.04 3.22 2.95 2gihA1 ARG 91 HD3 -0.18 0.11 0.01 -0.04 3.22 3.12 2gihA1 GLY 92 H 0.14 0.07 -0.15 -0.55 8.43 7.95 2gihA1 GLY 92 HA2 0.08 0.04 0.33 -0.51 4.01 3.94 2gihA1 GLY 92 HA3 0.06 0.24 0.84 -0.51 4.01 4.63 2gihA1 LYS 93 H 0.08 0.20 0.11 -0.55 8.42 8.26 2gihA1 LYS 93 HA -0.08 0.08 0.32 -0.75 4.32 3.89 2gihA1 LYS 93 HB2 -0.14 -0.01 0.16 -0.04 1.87 1.83 2gihA1 LYS 93 HB3 -0.67 0.03 0.04 -0.04 1.79 1.15 2gihA1 LYS 93 HG2 0.25 0.03 0.03 -0.04 1.46 1.72 2gihA1 LYS 93 HG3 0.07 -0.01 0.11 -0.04 1.46 1.60 2gihA1 LYS 93 HD2 -0.03 0.02 0.03 -0.04 1.69 1.67 2gihA1 LYS 93 HD3 0.01 0.00 0.00 -0.04 1.68 1.65 2gihA1 LYS 93 HE2 0.16 0.01 -0.01 -0.04 2.99 3.12 2gihA1 LYS 93 HE3 0.07 0.01 0.01 -0.04 2.99 3.04 2gihA1 ALA 94 H -0.04 0.14 -0.02 -0.55 8.40 7.94 2gihA1 ALA 94 HA -0.05 0.08 0.42 -0.75 4.34 4.04 2gihA1 ALA 94 HB3 0.00 0.04 0.06 -0.04 1.41 1.46 2gihA1 ALA 95 H 0.08 0.10 -0.33 -0.55 8.40 7.71 2gihA1 ALA 95 HA 0.17 0.10 0.42 -0.75 4.34 4.28 2gihA1 ALA 95 HB3 0.23 0.05 -0.01 -0.04 1.41 1.64 2gihA1 THR 96 H 0.13 0.41 -0.32 -0.55 8.28 7.96 2gihA1 THR 96 HA 0.41 0.12 0.52 -0.75 4.39 4.68 2gihA1 THR 96 HB -0.11 0.01 0.07 -0.04 4.32 4.25 2gihA1 THR 96 HG23 -0.27 0.01 -0.13 -0.04 1.22 0.78 2gihA1 GLU 97 H 0.04 0.37 -0.12 -0.55 8.60 8.34 2gihA1 GLU 97 HA 0.03 -0.09 0.51 -0.75 4.29 3.99 2gihA1 GLU 97 HB2 0.06 -0.10 0.16 -0.04 2.09 2.16 2gihA1 GLU 97 HB3 0.02 0.13 0.21 -0.04 1.99 2.31 2gihA1 GLU 97 HG2 0.04 -0.02 0.01 -0.04 2.34 2.33 2gihA1 GLU 97 HG3 0.03 0.11 -0.12 -0.04 2.34 2.32 2gihA1 ASN 98 H 0.08 0.45 -0.10 -0.55 8.53 8.41 2gihA1 ASN 98 HA 0.01 0.09 0.57 -0.75 4.76 4.68 2gihA1 ASN 98 HB2 0.07 0.02 0.03 -0.04 2.88 2.95 2gihA1 ASN 98 HB3 0.01 -0.04 0.09 -0.04 2.79 2.81 2gihA1 ASN 98 HD21 0.02 -0.11 -0.03 -0.04 7.03 6.87 2gihA1 ASN 98 HD22 0.05 -0.03 -0.12 -0.04 7.74 7.60 2gihA1 TRP 99 H 0.20 0.10 -0.58 -0.55 7.97 7.15 2gihA1 TRP 99 HA -0.21 0.16 0.48 -0.75 4.62 4.30 2gihA1 TRP 99 HB2 -0.32 0.05 0.13 -0.04 3.23 3.05 2gihA1 TRP 99 HB3 -0.19 0.07 0.05 -0.04 3.23 3.11 2gihA1 TRP 99 HD1 -1.83 -0.06 0.01 -0.04 7.22 5.30 2gihA1 TRP 99 HE1 -0.23 -0.19 0.04 -0.04 10.20 9.78 2gihA1 TRP 99 HE3 -0.14 0.04 -0.30 -0.04 7.59 7.15 2gihA1 TRP 99 HZ2 -0.01 0.02 -0.05 -0.04 7.44 7.36 2gihA1 TRP 99 HZ3 -0.02 0.09 -0.21 -0.04 7.13 6.96 2gihA1 TRP 99 HH2 0.02 0.03 -0.32 -0.04 7.19 6.88 2gihA1 SER 100 H -1.09 0.56 0.26 -0.55 8.46 7.63 2gihA1 SER 100 HA -0.73 0.22 0.65 -0.75 4.49 3.88 2gihA1 SER 100 HB2 -0.29 -0.03 0.11 -0.04 3.95 3.70 2gihA1 SER 100 HB3 -0.26 0.23 -0.21 -0.04 3.93 3.65 2gihA1 ILE 101 H -0.51 0.24 0.11 -0.55 8.25 7.54 2gihA1 ILE 101 HA -0.48 0.11 0.34 -0.75 4.18 3.40 2gihA1 ILE 101 HB -0.19 0.01 0.14 -0.04 1.89 1.81 2gihA1 ILE 101 HG12 -0.02 0.01 0.05 -0.04 1.49 1.50 2gihA1 ILE 101 HG13 -0.03 -0.00 0.10 -0.04 1.21 1.23 2gihA1 ILE 101 HG23 -0.10 -0.00 -0.13 -0.04 0.93 0.65 2gihA1 ILE 101 HD13 0.09 0.02 0.01 -0.04 0.88 0.96 2gihA1 GLU 102 H -0.35 -0.01 -0.62 -0.55 8.60 7.07 2gihA1 GLU 102 HA -0.14 0.20 0.80 -0.75 4.29 4.40 2gihA1 GLU 102 HB2 -0.15 0.01 -0.05 -0.04 2.09 1.85 2gihA1 GLU 102 HB3 -0.10 0.01 0.10 -0.04 1.99 1.95 2gihA1 GLU 102 HG2 -0.13 -0.10 -0.22 -0.04 2.34 1.85 2gihA1 GLU 102 HG3 -0.09 0.01 -0.04 -0.04 2.34 2.17 2gihA1 ASN 103 H -0.46 0.42 -0.33 -0.55 8.53 7.62 2gihA1 ASN 103 HA -0.15 0.14 0.74 -0.75 4.76 4.73 2gihA1 ASN 103 HB2 -0.16 -0.02 -0.10 -0.04 2.88 2.56 2gihA1 ASN 103 HB3 -0.29 -0.00 0.21 -0.04 2.79 2.67 2gihA1 ASN 103 HD21 -0.02 -0.11 -0.08 -0.04 7.03 6.79 2gihA1 ASN 103 HD22 -0.11 0.46 0.02 -0.04 7.74 8.07 2gihA1 LEU 104 H -0.16 0.10 -0.12 -0.55 8.37 7.64 2gihA1 LEU 104 HA -0.32 0.11 0.55 -0.75 4.35 3.93 2gihA1 LEU 104 HB2 0.07 0.00 -0.06 -0.04 1.64 1.61 2gihA1 LEU 104 HB3 0.23 -0.04 0.10 -0.04 1.64 1.89 2gihA1 LEU 104 HG -0.12 0.01 -0.12 -0.04 1.64 1.37 2gihA1 LEU 104 HD13 0.08 -0.01 -0.02 -0.04 0.93 0.95 2gihA1 LEU 104 HD23 0.00 0.02 -0.03 -0.04 0.89 0.84 2gihA1 PHE 105 H 0.42 0.09 0.13 -0.55 8.34 8.43 2gihA1 PHE 105 HA 0.19 0.10 0.53 -0.75 4.62 4.69 2gihA1 PHE 105 HB2 0.31 0.03 0.10 -0.04 3.15 3.54 2gihA1 PHE 105 HB3 0.22 0.03 0.03 -0.04 3.06 3.30 2gihA1 PHE 105 HD2 0.15 -0.01 -0.07 -0.04 7.28 7.30 2gihA1 PHE 105 HE2 0.17 0.03 -0.10 -0.04 7.38 7.44 2gihA1 PHE 105 HZ 0.33 -0.04 -0.15 -0.04 7.32 7.42 2gihA1 GLU 106 H 0.19 0.17 0.15 -0.55 8.60 8.56 2gihA1 GLU 106 HA -0.27 0.15 0.75 -0.75 4.29 4.16 2gihA1 GLU 106 HB2 -0.04 0.03 -0.00 -0.04 2.09 2.04 2gihA1 GLU 106 HB3 -0.15 -0.05 0.12 -0.04 1.99 1.86 2gihA1 GLU 106 HG2 0.02 0.04 -0.16 -0.04 2.34 2.20 2gihA1 GLU 106 HG3 0.06 0.08 -0.21 -0.04 2.34 2.23 2gihA1 GLU 107 H -0.72 0.12 0.12 -0.55 8.60 7.57 2gihA1 GLU 107 HA -0.28 -0.04 0.47 -0.75 4.29 3.69 2gihA1 GLU 107 HB2 -0.37 -0.01 0.17 -0.04 2.09 1.84 2gihA1 GLU 107 HB3 -0.14 0.04 -0.04 -0.04 1.99 1.80 2gihA1 GLU 107 HG2 0.00 0.08 0.06 -0.04 2.34 2.44 2gihA1 GLU 107 HG3 0.10 -0.10 0.08 -0.04 2.34 2.38 2gihA1 LYS 108 H -0.05 0.15 0.23 -0.55 8.42 8.20 2gihA1 LYS 108 HA -0.05 0.17 0.90 -0.75 4.32 4.58 2gihA1 LYS 108 HB2 -0.05 0.12 -0.01 -0.04 1.87 1.89 2gihA1 LYS 108 HB3 -0.06 -0.03 0.07 -0.04 1.79 1.73 2gihA1 LYS 108 HG2 -0.04 -0.17 -0.05 -0.04 1.46 1.16 2gihA1 LYS 108 HG3 -0.03 0.05 0.04 -0.04 1.46 1.48 2gihA1 LYS 108 HD2 -0.06 0.05 -0.01 -0.04 1.69 1.63 2gihA1 LYS 108 HD3 -0.07 0.01 -0.08 -0.04 1.68 1.50 2gihA1 LYS 108 HE2 -0.04 -0.06 -0.03 -0.04 2.99 2.82 2gihA1 LYS 108 HE3 -0.02 0.01 -0.01 -0.04 2.99 2.93 2gihA1 GLN 109 H -0.04 0.17 0.12 -0.55 8.47 8.17 2gihA1 GLN 109 HA -0.05 0.08 0.30 -0.75 4.36 3.94 2gihA1 GLN 109 HB2 -0.04 0.01 0.13 -0.04 2.15 2.22 2gihA1 GLN 109 HB3 -0.04 -0.03 0.11 -0.04 2.02 2.02 2gihA1 GLN 109 HG2 -0.04 0.04 -0.21 -0.04 2.40 2.15 2gihA1 GLN 109 HG3 -0.05 0.00 0.05 -0.04 2.39 2.35 2gihA1 GLN 109 HE21 -0.02 0.00 -0.01 -0.04 6.97 6.89 2gihA1 GLN 109 HE22 -0.03 0.01 -0.06 -0.04 7.69 7.57 2gihA1 ASN 110 H -0.05 0.02 -0.20 -0.55 8.53 7.76 2gihA1 ASN 110 HA -0.05 0.29 0.89 -0.75 4.76 5.14 2gihA1 ASN 110 HB2 -0.05 0.02 0.14 -0.04 2.88 2.95 2gihA1 ASN 110 HB3 -0.04 -0.04 0.01 -0.04 2.79 2.67 2gihA1 ASN 110 HD21 -0.05 0.00 -0.04 -0.04 7.03 6.90 2gihA1 ASN 110 HD22 -0.04 -0.01 0.00 -0.04 7.74 7.65 2gihA1 ASP 111 H -0.05 0.38 -0.30 -0.55 8.40 7.88 2gihA1 ASP 111 HA -0.09 0.04 0.47 -0.75 4.63 4.30 2gihA1 ASP 111 HB2 -0.02 0.11 0.16 -0.04 2.71 2.92 2gihA1 ASP 111 HB3 -0.03 -0.05 0.06 -0.04 2.70 2.63 2gihA1 THR 112 H -0.13 0.19 0.23 -0.55 8.28 8.02 2gihA1 THR 112 HA -0.10 0.05 0.41 -0.75 4.39 4.00 2gihA1 THR 112 HB -0.16 -0.02 0.16 -0.04 4.32 4.26 2gihA1 THR 112 HG23 -0.14 -0.05 -0.10 -0.04 1.22 0.89 2gihA1 ALA 113 H -0.07 0.01 -0.10 -0.55 8.40 7.70 2gihA1 ALA 113 HA -0.05 0.23 0.79 -0.75 4.34 4.57 2gihA1 ALA 113 HB3 -0.05 -0.01 -0.09 -0.04 1.41 1.22 2gihA1 ASP 114 H 0.01 0.25 0.19 -0.55 8.40 8.29 2gihA1 ASP 114 HA 0.03 0.12 0.79 -0.75 4.63 4.82 2gihA1 ASP 114 HB2 0.04 0.02 0.22 -0.04 2.71 2.95 2gihA1 ASP 114 HB3 0.06 0.12 0.43 -0.04 2.70 3.26 2gihA1 ILE 115 H 0.05 0.72 0.44 -0.55 8.25 8.91 2gihA1 ILE 115 HA 0.13 0.23 1.02 -0.75 4.18 4.80 2gihA1 ILE 115 HB 0.12 -0.08 0.07 -0.04 1.89 1.96 2gihA1 ILE 115 HG12 0.23 0.08 -0.04 -0.04 1.49 1.71 2gihA1 ILE 115 HG13 0.13 -0.11 -0.35 -0.04 1.21 0.84 2gihA1 ILE 115 HG23 0.17 0.01 -0.13 -0.04 0.93 0.95 2gihA1 ILE 115 HD13 0.25 -0.00 -0.07 -0.04 0.88 1.01 2gihA1 LEU 116 H 0.14 0.83 0.30 -0.55 8.37 9.09 2gihA1 LEU 116 HA 0.04 0.22 1.09 -0.75 4.35 4.94 2gihA1 LEU 116 HB2 0.10 -0.01 -0.06 -0.04 1.64 1.63 2gihA1 LEU 116 HB3 -0.02 0.06 -0.16 -0.04 1.64 1.48 2gihA1 LEU 116 HG -0.03 -0.10 -0.24 -0.04 1.64 1.22 2gihA1 LEU 116 HD13 -0.24 0.01 -0.15 -0.04 0.93 0.51 2gihA1 LEU 116 HD23 -0.07 0.03 -0.14 -0.04 0.89 0.67 2gihA1 LEU 117 H 0.08 0.50 0.30 -0.55 8.37 8.71 2gihA1 LEU 117 HA -0.02 0.52 0.92 -0.75 4.35 5.01 2gihA1 LEU 117 HB2 0.28 -0.11 0.21 -0.04 1.64 1.98 2gihA1 LEU 117 HB3 -0.06 0.03 -0.00 -0.04 1.64 1.57 2gihA1 LEU 117 HG 0.01 0.09 -0.17 -0.04 1.64 1.54 2gihA1 LEU 117 HD13 0.12 -0.04 -0.33 -0.04 0.93 0.63 2gihA1 LEU 117 HD23 0.20 -0.03 -0.13 -0.04 0.89 0.89 2gihA1 VAL 118 H -0.05 0.59 0.26 -0.55 8.24 8.49 2gihA1 VAL 118 HA -0.20 0.35 1.15 -0.75 4.13 4.67 2gihA1 VAL 118 HB -0.43 -0.08 -0.16 -0.04 2.12 1.41 2gihA1 VAL 118 HG13 0.10 0.04 -0.03 -0.04 0.97 1.04 2gihA1 VAL 118 HG23 -0.65 -0.00 -0.25 -0.04 0.95 0.01 2gihA1 LYS 119 H -0.08 0.59 0.19 -0.55 8.42 8.57 2gihA1 LYS 119 HA -0.07 0.07 0.62 -0.75 4.32 4.18 2gihA1 LYS 119 HB2 -0.30 0.14 -0.12 -0.04 1.87 1.55 2gihA1 LYS 119 HB3 -0.13 -0.01 -0.09 -0.04 1.79 1.51 2gihA1 LYS 119 HG2 0.11 0.01 -0.28 -0.04 1.46 1.25 2gihA1 LYS 119 HG3 -0.01 -0.02 0.00 -0.04 1.46 1.39 2gihA1 LYS 119 HD2 -0.09 0.00 -0.06 -0.04 1.69 1.50 2gihA1 LYS 119 HD3 0.17 -0.01 -0.09 -0.04 1.68 1.72 2gihA1 LYS 119 HE2 0.09 0.00 -0.06 -0.04 2.99 2.98 2gihA1 LYS 119 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.93 2gihA1 ASP 120 H 0.00 0.19 0.13 -0.55 8.40 8.18 2gihA1 ASP 120 HA 0.04 0.05 0.35 -0.75 4.63 4.31 2gihA1 GLN 121 H -0.04 0.04 -0.17 -0.55 8.47 7.75 2gihA1 GLN 121 HA -0.06 -0.00 0.21 -0.75 4.36 3.76 2gihA1 GLN 121 HB2 0.12 0.19 -0.12 -0.04 2.15 2.30 2gihA1 GLN 121 HB3 0.19 0.00 0.20 -0.04 2.02 2.38 2gihA1 GLN 121 HG2 0.12 0.04 0.01 -0.04 2.40 2.53 2gihA1 GLN 121 HG3 0.06 -0.11 -0.15 -0.04 2.39 2.16 2gihA1 GLN 121 HE21 0.06 -0.01 -0.02 -0.04 6.97 6.96 2gihA1 GLN 121 HE22 0.06 -0.05 -0.07 -0.04 7.69 7.59 2gihA1 PHE 122 H 0.13 0.36 -0.59 -0.55 8.34 7.69 2gihA1 PHE 122 HA 0.20 0.31 0.99 -0.75 4.62 5.37 2gihA1 PHE 122 HB2 0.09 0.05 0.06 -0.04 3.15 3.30 2gihA1 PHE 122 HB3 0.18 0.06 0.13 -0.04 3.06 3.39 2gihA1 PHE 122 HD2 0.01 0.08 -0.17 -0.04 7.28 7.15 2gihA1 PHE 122 HE2 -0.21 -0.09 -0.32 -0.04 7.38 6.72 2gihA1 PHE 122 HZ -0.05 -0.09 -0.19 -0.04 7.32 6.94 2gihA1 TYR 123 H -0.15 0.71 0.40 -0.55 8.29 8.70 2gihA1 TYR 123 HA -0.13 0.31 1.22 -0.75 4.56 5.20 2gihA1 TYR 123 HB2 -0.14 -0.07 0.05 -0.04 3.06 2.86 2gihA1 TYR 123 HB3 -0.19 -0.05 -0.10 -0.04 2.98 2.60 2gihA1 TYR 123 HD2 -0.23 0.11 -0.12 -0.04 7.15 6.87 2gihA1 TYR 123 HE2 -0.22 0.10 -0.10 -0.04 6.85 6.59 2gihA1 GLU 124 H 0.06 0.79 0.33 -0.55 8.60 9.23 2gihA1 GLU 124 HA -0.06 0.12 1.04 -0.75 4.29 4.64 2gihA1 GLU 124 HB2 0.17 0.06 0.03 -0.04 2.09 2.30 2gihA1 GLU 124 HB3 0.26 -0.03 0.26 -0.04 1.99 2.44 2gihA1 GLU 124 HG2 0.08 0.02 -0.31 -0.04 2.34 2.10 2gihA1 GLU 124 HG3 0.07 0.02 -0.05 -0.04 2.34 2.34 2gihA1 LEU 125 H -0.00 0.74 0.29 -0.55 8.37 8.86 2gihA1 LEU 125 HA -0.03 0.10 0.74 -0.75 4.35 4.40 2gihA1 LEU 125 HB2 -0.07 0.02 0.33 -0.04 1.64 1.88 2gihA1 LEU 125 HB3 -0.10 0.02 0.05 -0.04 1.64 1.57 2gihA1 LEU 125 HG -0.13 -0.02 -0.06 -0.04 1.64 1.39 2gihA1 LEU 125 HD13 -0.13 -0.00 -0.15 -0.04 0.93 0.61 2gihA1 LEU 125 HD23 -0.22 0.01 -0.10 -0.04 0.89 0.54 2gihA1 LEU 126 H 0.02 0.82 0.47 -0.55 8.37 9.13 2gihA1 LEU 126 HA -0.10 0.21 0.94 -0.75 4.35 4.65 2gihA1 LEU 126 HB2 0.10 -0.05 -0.07 -0.04 1.64 1.57 2gihA1 LEU 126 HB3 0.09 0.03 0.08 -0.04 1.64 1.79 2gihA1 LEU 126 HG 0.10 -0.02 -0.36 -0.04 1.64 1.33 2gihA1 LEU 126 HD13 0.18 -0.00 -0.25 -0.04 0.93 0.82 2gihA1 LEU 126 HD23 0.17 -0.00 -0.14 -0.04 0.89 0.87 2gihA1 ASP 127 H -0.10 0.53 0.29 -0.55 8.40 8.58 2gihA1 ASP 127 HA 0.06 0.08 0.93 -0.75 4.63 4.95 2gihA1 ASP 127 HB2 0.02 0.05 -0.01 -0.04 2.71 2.73 2gihA1 ASP 127 HB3 0.27 -0.06 0.22 -0.04 2.70 3.08 2gihA1 VAL 128 H 0.11 0.17 0.08 -0.55 8.24 8.05 2gihA1 VAL 128 HA 0.15 0.17 0.88 -0.75 4.13 4.58 2gihA1 VAL 128 HB 0.16 -0.05 0.05 -0.04 2.12 2.24 2gihA1 VAL 128 HG13 0.14 -0.01 0.12 -0.04 0.97 1.18 2gihA1 VAL 128 HG23 0.16 0.03 -0.05 -0.04 0.95 1.04 2gihA1 LYS 129 H 0.15 0.44 0.19 -0.55 8.42 8.65 2gihA1 LYS 129 HA 0.15 0.20 0.88 -0.75 4.32 4.80 2gihA1 LYS 129 HB2 0.12 -0.00 -0.10 -0.04 1.87 1.86 2gihA1 LYS 129 HB3 0.11 -0.08 -0.09 -0.04 1.79 1.69 2gihA1 LYS 129 HG2 0.11 -0.05 0.11 -0.04 1.46 1.59 2gihA1 LYS 129 HG3 0.08 0.05 0.01 -0.04 1.46 1.56 2gihA1 LYS 129 HD2 0.04 -0.02 -0.06 -0.04 1.69 1.61 2gihA1 LYS 129 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 2gihA1 LYS 129 HE2 -0.17 0.04 -0.08 -0.04 2.99 2.74 2gihA1 LYS 129 HE3 -0.04 0.06 -0.05 -0.04 2.99 2.92 2gihA1 THR 130 H 0.17 0.28 0.20 -0.55 8.28 8.39 2gihA1 THR 130 HA 0.22 0.15 1.02 -0.75 4.39 5.03 2gihA1 THR 130 HB 0.23 -0.04 -0.07 -0.04 4.32 4.40 2gihA1 THR 130 HG23 0.68 -0.01 -0.15 -0.04 1.22 1.69 2gihA1 ARG 131 H 0.09 0.72 0.29 -0.55 8.46 9.01 2gihA1 ARG 131 HA -0.04 0.17 0.86 -0.75 4.34 4.58 2gihA1 ARG 131 HB2 0.02 0.08 -0.22 -0.04 1.90 1.74 2gihA1 ARG 131 HB3 -0.07 -0.04 -0.13 -0.04 1.80 1.53 2gihA1 ARG 131 HG2 -0.19 -0.06 -0.36 -0.04 1.67 1.02 2gihA1 ARG 131 HG3 -0.15 -0.10 -0.11 -0.04 1.67 1.27 2gihA1 ARG 131 HD2 -0.10 0.04 -0.15 -0.04 3.22 2.97 2gihA1 ARG 131 HD3 0.08 0.03 -0.09 -0.04 3.22 3.20 2gihA1 ASN 132 H -0.39 0.20 0.12 -0.55 8.53 7.91 2gihA1 ASN 132 HA -1.36 0.36 0.93 -0.75 4.76 3.94 2gihA1 ASN 132 HB2 -1.75 0.12 0.08 -0.04 2.88 1.29 2gihA1 ASN 132 HB3 -0.45 -0.09 0.31 -0.04 2.79 2.53 2gihA1 ASN 132 HD21 -0.18 -0.06 0.10 -0.04 7.03 6.85 2gihA1 ASN 132 HD22 -1.06 0.20 0.04 -0.04 7.74 6.88 2gihA1 ILE 133 H -0.37 0.29 0.03 -0.55 8.25 7.65 2gihA1 ILE 133 HA -0.20 0.12 0.21 -0.75 4.18 3.55 2gihA1 ILE 133 HB -0.12 0.07 -0.05 -0.04 1.89 1.74 2gihA1 ILE 133 HG12 -0.11 0.02 -0.08 -0.04 1.49 1.28 2gihA1 ILE 133 HG13 -0.21 -0.04 0.04 -0.04 1.21 0.96 2gihA1 ILE 133 HG23 -0.13 -0.00 -0.06 -0.04 0.93 0.70 2gihA1 ILE 133 HD13 -0.14 -0.06 -0.08 -0.04 0.88 0.55 2gihA1 SER 134 H -0.22 -0.01 -0.47 -0.55 8.46 7.21 2gihA1 SER 134 HA -0.08 0.12 0.46 -0.75 4.49 4.24 2gihA1 SER 134 HB2 -0.08 -0.04 0.10 -0.04 3.95 3.90 2gihA1 SER 134 HB3 -0.08 -0.06 0.06 -0.04 3.93 3.81 2gihA1 LYS 135 H -0.15 0.12 -0.10 -0.55 8.42 7.74 2gihA1 LYS 135 HA -0.03 0.15 0.67 -0.75 4.32 4.35 2gihA1 SER 136 H -0.08 0.04 0.17 -0.55 8.46 8.04 2gihA1 SER 136 HA 0.04 -0.14 0.39 -0.75 4.49 4.03 2gihA1 SER 136 HB2 -0.08 -0.12 0.13 -0.04 3.95 3.84 2gihA1 SER 136 HB3 -0.14 0.06 -0.14 -0.04 3.93 3.66 2gihA1 ALA 137 H 0.11 -0.06 0.13 -0.55 8.40 8.04 2gihA1 ALA 137 HA -0.02 0.15 0.64 -0.75 4.34 4.36 2gihA1 ALA 137 HB3 -0.01 0.05 0.02 -0.04 1.41 1.43 2gihA1 PHE 138 H 0.30 0.01 0.08 -0.55 8.34 8.18 2gihA1 PHE 138 HA 0.05 0.16 0.79 -0.75 4.62 4.87 2gihA1 PHE 138 HB2 0.04 -0.05 -0.01 -0.04 3.15 3.08 2gihA1 PHE 138 HB3 0.04 -0.01 0.08 -0.04 3.06 3.12 2gihA1 PHE 138 HD2 0.01 0.00 -0.04 -0.04 7.28 7.21 2gihA1 PHE 138 HE2 0.02 -0.00 -0.03 -0.04 7.38 7.33 2gihA1 PHE 138 HZ 0.03 -0.02 -0.03 -0.04 7.32 7.27 2gihA1 ALA 139 H 0.22 0.15 0.00 -0.55 8.40 8.22 2gihA1 ALA 139 HA -0.77 0.08 0.23 -0.75 4.34 3.13 2gihA1 ALA 139 HB3 -0.16 -0.01 -0.16 -0.04 1.41 1.04 2gihA1 PRO 140 HA -0.16 0.06 0.56 -0.51 4.44 4.39 2gihA1 PRO 140 HB2 -0.12 0.13 0.03 -0.04 2.28 2.29 2gihA1 PRO 140 HB3 -0.08 -0.02 0.10 -0.04 2.02 1.98 2gihA1 PRO 140 HG2 -0.26 0.08 0.00 -0.04 2.03 1.81 2gihA1 PRO 140 HG3 -0.09 -0.00 0.05 -0.04 2.03 1.95 2gihA1 PRO 140 HD2 -0.45 0.10 0.03 -0.04 3.68 3.31 2gihA1 PRO 140 HD3 -0.16 0.16 0.16 -0.04 3.65 3.76 2gihA1 ASN 141 H -0.13 0.07 0.13 -0.55 8.53 8.05 2gihA1 ASN 141 HA -0.13 0.12 0.42 -0.75 4.76 4.41 2gihA1 ASN 141 HB2 -0.10 -0.02 0.08 -0.04 2.88 2.81 2gihA1 ASN 141 HB3 -0.09 -0.01 -0.07 -0.04 2.79 2.57 2gihA1 ASN 141 HD21 -0.06 -0.04 -0.05 -0.04 7.03 6.84 2gihA1 ASN 141 HD22 -0.07 -0.00 -0.03 -0.04 7.74 7.60 2gihA1 ILE 142 H -0.21 0.59 0.31 -0.55 8.25 8.39 2gihA1 ILE 142 HA -0.28 0.18 0.83 -0.75 4.18 4.15 2gihA1 ILE 142 HB -0.39 0.02 0.06 -0.04 1.89 1.53 2gihA1 ILE 142 HG12 -0.81 0.10 -0.04 -0.04 1.49 0.69 2gihA1 ILE 142 HG13 -2.62 -0.14 -0.15 -0.04 1.21 -1.74 2gihA1 ILE 142 HG23 -0.35 -0.02 -0.21 -0.04 0.93 0.31 2gihA1 ILE 142 HD13 -0.71 0.06 -0.17 -0.04 0.88 0.02 2gihA1 ILE 143 H -0.10 0.22 0.23 -0.55 8.25 8.05 2gihA1 ILE 143 HA -0.04 0.15 0.47 -0.75 4.18 4.00 2gihA1 ILE 143 HB 0.01 0.22 -0.14 -0.04 1.89 1.95 2gihA1 ILE 143 HG12 -0.01 0.03 -0.09 -0.04 1.49 1.38 2gihA1 ILE 143 HG13 -0.03 0.04 0.12 -0.04 1.21 1.31 2gihA1 ILE 143 HG23 0.02 -0.03 -0.19 -0.04 0.93 0.69 2gihA1 ILE 143 HD13 -0.01 0.00 -0.05 -0.04 0.88 0.78 2gihA1 SER 144 H -0.02 0.21 0.13 -0.55 8.46 8.23 2gihA1 SER 144 HA -0.02 0.19 0.43 -0.75 4.49 4.35 2gihA1 SER 144 HB2 0.03 0.22 0.13 -0.04 3.95 4.29 2gihA1 SER 144 HB3 0.01 0.03 0.21 -0.04 3.93 4.14 2gihA1 ALA 145 H -0.04 0.97 0.50 -0.55 8.40 9.29 2gihA1 ALA 145 HA 0.13 0.04 0.41 -0.75 4.34 4.17 2gihA1 ALA 145 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 2gihA1 TYR 146 H 0.22 0.18 -0.14 -0.55 8.29 8.00 2gihA1 TYR 146 HA -0.27 0.09 0.45 -0.75 4.56 4.08 2gihA1 TYR 146 HB2 0.30 0.05 0.06 -0.04 3.06 3.42 2gihA1 TYR 146 HB3 0.11 0.00 0.04 -0.04 2.98 3.09 2gihA1 TYR 146 HD2 0.13 -0.00 -0.02 -0.04 7.15 7.21 2gihA1 TYR 146 HE2 0.11 0.02 -0.04 -0.04 6.85 6.90 2gihA1 LYS 147 H 0.07 0.10 -0.22 -0.55 8.42 7.82 2gihA1 LYS 147 HA -0.00 0.07 0.36 -0.75 4.32 3.99 2gihA1 LYS 147 HB2 -0.01 -0.02 0.12 -0.04 1.87 1.93 2gihA1 LYS 147 HB3 0.00 0.09 0.12 -0.04 1.79 1.96 2gihA1 LYS 147 HG2 0.04 -0.03 -0.15 -0.04 1.46 1.28 2gihA1 LYS 147 HG3 -0.12 0.02 0.03 -0.04 1.46 1.35 2gihA1 LYS 147 HD2 -0.08 -0.04 0.03 -0.04 1.69 1.56 2gihA1 LYS 147 HD3 -0.20 0.05 0.01 -0.04 1.68 1.50 2gihA1 LYS 147 HE2 -0.25 0.02 0.03 -0.04 2.99 2.75 2gihA1 LYS 147 HE3 -0.10 -0.08 0.04 -0.04 2.99 2.82 2gihA1 LEU 148 H 0.01 0.51 -0.26 -0.55 8.37 8.09 2gihA1 LEU 148 HA 0.06 0.01 0.28 -0.75 4.35 3.94 2gihA1 LEU 148 HB2 -0.03 0.11 0.08 -0.04 1.64 1.76 2gihA1 LEU 148 HB3 -0.26 0.04 -0.09 -0.04 1.64 1.29 2gihA1 LEU 148 HG -0.00 0.01 -0.05 -0.04 1.64 1.55 2gihA1 LEU 148 HD13 -0.31 -0.00 -0.07 -0.04 0.93 0.51 2gihA1 LEU 148 HD23 0.13 -0.02 -0.02 -0.04 0.89 0.94 2gihA1 ALA 149 H -0.12 0.41 -0.26 -0.55 8.40 7.88 2gihA1 ALA 149 HA 0.08 -0.02 0.40 -0.75 4.34 4.05 2gihA1 ALA 149 HB3 -0.75 0.03 0.11 -0.04 1.41 0.77 2gihA1 GLN 150 H -0.25 0.64 -0.09 -0.55 8.47 8.22 2gihA1 GLN 150 HA -0.25 -0.01 0.42 -0.75 4.36 3.77 2gihA1 GLN 150 HB2 -0.45 0.14 0.10 -0.04 2.15 1.91 2gihA1 GLN 150 HB3 -0.79 -0.05 0.04 -0.04 2.02 1.18 2gihA1 GLN 150 HG2 -0.39 -0.05 0.01 -0.04 2.40 1.93 2gihA1 GLN 150 HG3 -0.71 0.22 0.08 -0.04 2.39 1.94 2gihA1 GLN 150 HE21 -0.34 -0.02 -0.10 -0.04 6.97 6.47 2gihA1 GLN 150 HE22 -0.99 0.02 -0.40 -0.04 7.69 6.29 2gihA1 THR 151 H -0.03 0.51 -0.25 -0.55 8.28 7.97 2gihA1 THR 151 HA -0.04 0.00 0.40 -0.75 4.39 3.99 2gihA1 THR 151 HB 0.15 0.14 0.16 -0.04 4.32 4.73 2gihA1 THR 151 HG23 0.31 -0.03 -0.13 -0.04 1.22 1.34 2gihA1 CYS 152 H 0.09 0.70 -0.05 -0.55 8.50 8.69 2gihA1 CYS 152 HA 0.14 0.00 0.45 -0.75 4.58 4.42 2gihA1 CYS 152 HB2 0.18 0.12 0.16 -0.04 2.97 3.38 2gihA1 CYS 152 HB3 0.19 -0.10 0.04 -0.04 2.97 3.06 2gihA1 ALA 153 H -0.01 0.55 -0.13 -0.55 8.40 8.27 2gihA1 ALA 153 HA 0.03 0.00 0.38 -0.75 4.34 4.00 2gihA1 ALA 153 HB3 -0.05 0.04 0.11 -0.04 1.41 1.47 2gihA1 LYS 154 H -0.11 0.59 -0.16 -0.55 8.42 8.19 2gihA1 LYS 154 HA -0.08 0.01 0.43 -0.75 4.32 3.93 2gihA1 LYS 154 HB2 -0.11 0.16 0.11 -0.04 1.87 1.98 2gihA1 LYS 154 HB3 -0.10 -0.13 -0.06 -0.04 1.79 1.46 2gihA1 LYS 154 HG2 -0.20 -0.07 0.01 -0.04 1.46 1.16 2gihA1 LYS 154 HG3 -0.36 0.33 0.11 -0.04 1.46 1.50 2gihA1 LYS 154 HD2 -0.40 0.00 -0.04 -0.04 1.69 1.21 2gihA1 LYS 154 HD3 -0.18 -0.03 -0.13 -0.04 1.68 1.29 2gihA1 LYS 154 HE2 -1.08 0.01 -0.05 -0.04 2.99 1.82 2gihA1 LYS 154 HE3 -0.46 -0.01 -0.02 -0.04 2.99 2.47 2gihA1 MET 155 H 0.02 0.46 -0.27 -0.55 8.47 8.14 2gihA1 MET 155 HA -0.06 -0.03 0.51 -0.75 4.52 4.17 2gihA1 MET 155 HB2 0.12 0.14 0.23 -0.04 2.15 2.59 2gihA1 MET 155 HB3 0.14 -0.06 -0.03 -0.04 2.03 2.04 2gihA1 MET 155 HG2 0.06 0.12 0.14 -0.04 2.63 2.91 2gihA1 MET 155 HG3 0.17 0.06 0.06 -0.04 2.56 2.81 2gihA1 MET 155 HE3 -0.13 0.03 0.02 -0.04 2.10 1.97 2gihA1 ILE 156 H 0.07 0.55 -0.14 -0.55 8.25 8.18 2gihA1 ILE 156 HA 0.26 0.01 0.54 -0.75 4.18 4.24 2gihA1 ILE 156 HB 0.08 0.13 0.23 -0.04 1.89 2.29 2gihA1 ILE 156 HG12 0.24 -0.07 0.04 -0.04 1.49 1.66 2gihA1 ILE 156 HG13 0.22 0.08 0.04 -0.04 1.21 1.51 2gihA1 ILE 156 HG23 0.10 -0.01 -0.13 -0.04 0.93 0.86 2gihA1 ILE 156 HD13 0.10 -0.03 -0.09 -0.04 0.88 0.82 2gihA1 ASP 157 H -0.00 0.75 0.12 -0.55 8.40 8.72 2gihA1 ASP 157 HA 0.00 0.03 0.39 -0.75 4.63 4.30 2gihA1 ASP 157 HB2 -0.04 0.00 0.13 -0.04 2.71 2.76 2gihA1 ASP 157 HB3 -0.02 -0.02 0.01 -0.04 2.70 2.62 2gihA1 ASN 158 H -0.08 0.37 -0.33 -0.55 8.53 7.94 2gihA1 ASN 158 HA -0.06 0.16 0.75 -0.75 4.76 4.86 2gihA1 ASN 158 HB2 -0.08 0.06 0.11 -0.04 2.88 2.93 2gihA1 ASN 158 HB3 -0.06 -0.04 0.14 -0.04 2.79 2.79 2gihA1 ASN 158 HD21 -0.06 -0.08 0.01 -0.04 7.03 6.86 2gihA1 ASN 158 HD22 -0.06 0.68 0.21 -0.04 7.74 8.53 2gihA1 LYS 159 H -0.20 0.23 -0.47 -0.55 8.42 7.43 2gihA1 LYS 159 HA -0.80 0.04 0.37 -0.75 4.32 3.17 2gihA1 LYS 159 HB2 -0.13 0.13 0.12 -0.04 1.87 1.94 2gihA1 LYS 159 HB3 -0.13 -0.11 0.19 -0.04 1.79 1.70 2gihA1 LYS 159 HG2 0.01 0.02 0.01 -0.04 1.46 1.46 2gihA1 LYS 159 HG3 -0.06 0.04 -0.42 -0.04 1.46 0.97 2gihA1 LYS 159 HD2 -0.01 0.00 -0.05 -0.04 1.69 1.59 2gihA1 LYS 159 HD3 0.03 -0.07 0.00 -0.04 1.68 1.60 2gihA1 LYS 159 HE2 -0.00 0.07 -0.04 -0.04 2.99 2.98 2gihA1 LYS 159 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.90 2gihA1 GLU 160 H -0.48 0.35 -0.03 -0.55 8.60 7.90 2gihA1 GLU 160 HA -0.21 0.15 0.87 -0.75 4.29 4.35 2gihA1 GLU 160 HB2 -0.09 -0.05 0.22 -0.04 2.09 2.13 2gihA1 GLU 160 HB3 -0.02 -0.08 0.12 -0.04 1.99 1.96 2gihA1 GLU 160 HG2 -0.05 0.10 -0.01 -0.04 2.34 2.34 2gihA1 GLU 160 HG3 -0.11 0.13 -0.22 -0.04 2.34 2.09 2gihA1 PHE 161 H -0.13 0.31 0.07 -0.55 8.34 8.04 2gihA1 PHE 161 HA -0.13 0.22 0.92 -0.75 4.62 4.88 2gihA1 PHE 161 HB2 -0.03 0.08 0.05 -0.04 3.15 3.21 2gihA1 PHE 161 HB3 -0.07 -0.17 0.19 -0.04 3.06 2.97 2gihA1 PHE 161 HD2 -0.04 0.06 -0.12 -0.04 7.28 7.14 2gihA1 PHE 161 HE2 0.00 0.03 -0.14 -0.04 7.38 7.22 2gihA1 PHE 161 HZ 0.01 0.06 0.03 -0.04 7.32 7.38 2gihA1 ASP 162 H 0.05 0.08 0.00 -0.55 8.40 7.98 2gihA1 ASP 162 HA 0.07 0.19 0.69 -0.75 4.63 4.83 2gihA1 ASP 162 HB2 0.04 0.07 0.20 -0.04 2.71 2.97 2gihA1 ASP 162 HB3 0.05 0.03 -0.06 -0.04 2.70 2.67 2gihA1 LEU 163 H 0.08 0.01 -0.00 -0.55 8.37 7.90 2gihA1 LEU 163 HA 0.30 0.30 0.80 -0.75 4.35 5.00 2gihA1 LEU 163 HB2 0.14 -0.02 0.10 -0.04 1.64 1.83 2gihA1 LEU 163 HB3 0.24 -0.05 0.10 -0.04 1.64 1.89 2gihA1 LEU 163 HG 0.23 -0.03 -0.18 -0.04 1.64 1.63 2gihA1 LEU 163 HD13 0.23 0.07 0.16 -0.04 0.93 1.35 2gihA1 LEU 163 HD23 0.09 -0.02 0.00 -0.04 0.89 0.92 2gihA1 PHE 164 H -0.09 0.09 0.05 -0.55 8.34 7.85 2gihA1 PHE 164 HA -0.42 0.30 0.86 -0.75 4.62 4.60 2gihA1 PHE 164 HB2 -0.10 0.08 0.10 -0.04 3.15 3.19 2gihA1 PHE 164 HB3 -0.07 -0.00 -0.28 -0.04 3.06 2.66 2gihA1 PHE 164 HD2 0.00 -0.00 -0.29 -0.04 7.28 6.95 2gihA1 PHE 164 HE2 0.09 -0.01 -0.13 -0.04 7.38 7.29 2gihA1 PHE 164 HZ 0.10 -0.00 -0.11 -0.04 7.32 7.27 2gihA1 ASP 165 H 0.01 0.62 0.47 -0.55 8.40 8.94 2gihA1 ASP 165 HA 0.16 0.14 0.86 -0.75 4.63 5.04 2gihA1 ASP 165 HB2 0.11 0.02 0.07 -0.04 2.71 2.86 2gihA1 ASP 165 HB3 0.02 -0.09 -0.01 -0.04 2.70 2.58 2gihA1 ILE 166 H -0.42 0.12 0.13 -0.55 8.25 7.53 2gihA1 ILE 166 HA -0.19 0.34 1.06 -0.75 4.18 4.63 2gihA1 ILE 166 HB -0.65 -0.13 0.20 -0.04 1.89 1.28 2gihA1 ILE 166 HG12 0.01 0.10 -0.08 -0.04 1.49 1.48 2gihA1 ILE 166 HG13 0.21 -0.09 -0.36 -0.04 1.21 0.94 2gihA1 ILE 166 HG23 -0.28 0.02 -0.07 -0.04 0.93 0.57 2gihA1 ILE 166 HD13 0.05 0.01 -0.07 -0.04 0.88 0.83 2gihA1 ASN 167 H -0.31 0.49 0.18 -0.55 8.53 8.35 2gihA1 ASN 167 HA -0.61 0.12 1.24 -0.75 4.76 4.76 2gihA1 ASN 167 HB2 -0.09 -0.04 -0.03 -0.04 2.88 2.67 2gihA1 ASN 167 HB3 -0.64 0.11 0.14 -0.04 2.79 2.36 2gihA1 ASN 167 HD21 0.11 0.08 -0.08 -0.04 7.03 7.10 2gihA1 ASN 167 HD22 0.22 -0.06 -0.08 -0.04 7.74 7.78 2gihA1 TYR 168 H -0.53 0.64 0.43 -0.55 8.29 8.28 2gihA1 TYR 168 HA -0.05 0.27 1.09 -0.75 4.56 5.12 2gihA1 TYR 168 HB2 -0.11 -0.08 0.05 -0.04 3.06 2.88 2gihA1 TYR 168 HB3 0.00 0.04 0.01 -0.04 2.98 2.99 2gihA1 TYR 168 HD2 -0.05 0.02 -0.11 -0.04 7.15 6.97 2gihA1 TYR 168 HE2 -0.03 0.02 -0.09 -0.04 6.85 6.71 2gihA1 LEU 169 H 0.15 0.63 0.29 -0.55 8.37 8.90 2gihA1 LEU 169 HA 0.23 0.33 1.02 -0.75 4.35 5.18 2gihA1 LEU 169 HB2 0.31 -0.06 -0.11 -0.04 1.64 1.74 2gihA1 LEU 169 HB3 0.19 -0.07 0.18 -0.04 1.64 1.90 2gihA1 LEU 169 HG 0.19 0.02 -0.13 -0.04 1.64 1.68 2gihA1 LEU 169 HD13 0.39 0.04 -0.04 -0.04 0.93 1.29 2gihA1 LEU 169 HD23 0.20 -0.02 -0.08 -0.04 0.89 0.95 2gihA1 GLU 170 H 0.14 0.51 0.20 -0.55 8.60 8.90 2gihA1 GLU 170 HA 0.12 0.19 0.74 -0.75 4.29 4.59 2gihA1 GLU 170 HB2 0.10 -0.00 -0.04 -0.04 2.09 2.11 2gihA1 GLU 170 HB3 0.09 -0.06 0.03 -0.04 1.99 2.00 2gihA1 GLU 170 HG2 0.05 -0.01 -0.40 -0.04 2.34 1.94 2gihA1 GLU 170 HG3 0.08 -0.01 -0.26 -0.04 2.34 2.11 2gihA1 VAL 171 H 0.11 0.46 0.21 -0.55 8.24 8.47 2gihA1 VAL 171 HA 0.01 0.20 1.07 -0.75 4.13 4.65 2gihA1 VAL 171 HB 0.08 0.00 0.23 -0.04 2.12 2.39 2gihA1 VAL 171 HG13 -0.40 -0.01 -0.12 -0.04 0.97 0.40 2gihA1 VAL 171 HG23 0.05 0.02 -0.15 -0.04 0.95 0.83 2gihA1 ASP 172 H -0.03 0.61 0.26 -0.55 8.40 8.69 2gihA1 ASP 172 HA -0.17 0.22 0.84 -0.75 4.63 4.77 2gihA1 ASP 172 HB2 -0.06 -0.05 0.11 -0.04 2.71 2.67 2gihA1 ASP 172 HB3 -0.13 -0.05 0.03 -0.04 2.70 2.51 2gihA1 TRP 173 H -0.69 0.71 0.55 -0.55 7.97 7.99 2gihA1 TRP 173 HA -0.07 0.14 1.23 -0.75 4.62 5.16 2gihA1 TRP 173 HB2 0.20 -0.03 -0.05 -0.04 3.23 3.31 2gihA1 TRP 173 HB3 -0.22 0.02 -0.21 -0.04 3.23 2.78 2gihA1 TRP 173 HD1 -0.05 0.14 -0.01 -0.04 7.22 7.26 2gihA1 TRP 173 HE1 0.10 0.02 -0.22 -0.04 10.20 10.05 2gihA1 TRP 173 HE3 0.10 0.00 -0.45 -0.04 7.59 7.20 2gihA1 TRP 173 HZ2 0.06 0.16 -0.22 -0.04 7.44 7.40 2gihA1 TRP 173 HZ3 0.05 -0.01 -0.09 -0.04 7.13 7.04 2gihA1 TRP 173 HH2 0.04 0.20 0.01 -0.04 7.19 7.40 2gihA1 GLU 174 H 0.39 0.62 0.38 -0.55 8.60 9.45 2gihA1 GLU 174 HA 0.10 0.05 0.87 -0.75 4.29 4.55 2gihA1 GLU 174 HB2 0.10 0.05 0.04 -0.04 2.09 2.25 2gihA1 GLU 174 HB3 0.09 0.10 -0.04 -0.04 1.99 2.09 2gihA1 GLU 174 HG2 -0.03 -0.01 -0.24 -0.04 2.34 2.02 2gihA1 GLU 174 HG3 0.01 0.04 -0.06 -0.04 2.34 2.29 2gihA1 LEU 175 H 0.20 0.11 0.17 -0.55 8.37 8.31 2gihA1 LEU 175 HA 0.23 0.20 0.67 -0.75 4.35 4.70 2gihA1 LEU 175 HB2 0.28 -0.03 0.13 -0.04 1.64 1.98 2gihA1 LEU 175 HB3 0.13 -0.03 0.17 -0.04 1.64 1.87 2gihA1 LEU 175 HG 0.13 0.00 0.00 -0.04 1.64 1.73 2gihA1 LEU 175 HD13 0.07 -0.03 -0.14 -0.04 0.93 0.78 2gihA1 LEU 175 HD23 0.09 0.08 -0.07 -0.04 0.89 0.95 2gihA1 ASN 176 H 0.09 0.78 0.08 -0.55 8.53 8.94 2gihA1 ASN 176 HA 0.06 0.19 0.85 -0.75 4.76 5.11 2gihA1 ASN 176 HB2 0.08 0.02 -0.14 -0.04 2.88 2.80 2gihA1 ASN 176 HB3 0.05 -0.11 0.08 -0.04 2.79 2.78 2gihA1 ASN 176 HD21 0.03 0.03 -0.01 -0.04 7.03 7.04 2gihA1 ASN 176 HD22 0.03 -0.11 0.08 -0.04 7.74 7.70 2gihA1 GLY 177 H 0.05 0.20 -0.19 -0.55 8.43 7.94 2gihA1 GLY 177 HA2 0.03 0.04 0.36 -0.51 4.01 3.93 2gihA1 GLY 177 HA3 0.02 0.04 0.45 -0.51 4.01 4.01 2gihA1 GLU 178 H 0.01 0.27 0.39 -0.55 8.60 8.72 2gihA1 GLU 178 HA -0.00 0.19 0.83 -0.75 4.29 4.55 2gihA1 GLU 178 HB2 -0.01 0.00 0.04 -0.04 2.09 2.09 2gihA1 GLU 178 HB3 -0.01 -0.00 0.10 -0.04 1.99 2.03 2gihA1 GLU 178 HG2 -0.00 0.01 0.02 -0.04 2.34 2.33 2gihA1 GLU 178 HG3 0.00 -0.02 -0.07 -0.04 2.34 2.21 2gihA1 ASP 179 H 0.01 0.26 0.04 -0.55 8.40 8.16 2gihA1 ASP 179 HA -0.05 0.19 0.86 -0.75 4.63 4.88 2gihA1 ASP 179 HB2 0.01 0.01 -0.00 -0.04 2.71 2.69 2gihA1 ASP 179 HB3 -0.02 -0.03 0.01 -0.04 2.70 2.62 2gihA1 LEU 180 H -0.05 0.51 0.24 -0.55 8.37 8.51 2gihA1 LEU 180 HA 0.16 0.20 0.88 -0.75 4.35 4.83 2gihA1 LEU 180 HB2 -0.27 0.18 0.08 -0.04 1.64 1.58 2gihA1 LEU 180 HB3 0.05 -0.04 -0.06 -0.04 1.64 1.55 2gihA1 LEU 180 HG -0.32 -0.04 -0.14 -0.04 1.64 1.09 2gihA1 LEU 180 HD13 -0.12 0.07 -0.29 -0.04 0.93 0.55 2gihA1 LEU 180 HD23 -1.02 0.02 -0.07 -0.04 0.89 -0.22 2gihA1 VAL 181 H 0.25 0.70 0.31 -0.55 8.24 8.95 2gihA1 VAL 181 HA 0.23 0.34 1.08 -0.75 4.13 5.03 2gihA1 VAL 181 HB 0.13 -0.08 0.02 -0.04 2.12 2.15 2gihA1 VAL 181 HG13 0.09 0.08 -0.21 -0.04 0.97 0.89 2gihA1 VAL 181 HG23 0.09 -0.01 -0.14 -0.04 0.95 0.85 2gihA1 CYS 182 H 0.21 0.87 0.16 -0.55 8.50 9.20 2gihA1 CYS 182 HA -0.07 0.06 0.73 -0.75 4.58 4.54 2gihA1 CYS 182 HB2 -0.41 -0.04 0.09 -0.04 2.97 2.56 2gihA1 CYS 182 HB3 0.01 0.17 0.29 -0.04 2.97 3.39 2gihA1 VAL 183 H 0.01 0.36 0.41 -0.55 8.24 8.47 2gihA1 VAL 183 HA 0.01 0.10 0.66 -0.75 4.13 4.14 2gihA1 VAL 183 HB -0.02 -0.01 -0.03 -0.04 2.12 2.02 2gihA1 VAL 183 HG13 -0.01 -0.01 -0.06 -0.04 0.97 0.85 2gihA1 VAL 183 HG23 0.04 0.02 -0.09 -0.04 0.95 0.88 2gihA1 SER 184 H -0.04 0.45 0.18 -0.55 8.46 8.50 2gihA1 SER 184 HA -0.02 0.08 0.39 -0.75 4.49 4.19 2gihA1 SER 184 HB2 -0.01 0.24 0.01 -0.04 3.95 4.15 2gihA1 SER 184 HB3 -0.02 -0.11 -0.16 -0.04 3.93 3.60 2gihA1 THR 185 H 0.03 0.25 0.22 -0.55 8.28 8.23 2gihA1 THR 185 HA 0.06 0.22 1.05 -0.75 4.39 4.97 2gihA1 THR 185 HB 0.18 0.06 0.09 -0.04 4.32 4.60 2gihA1 THR 185 HG23 -0.04 -0.00 -0.17 -0.04 1.22 0.96 2gihA1 SER 186 H 0.18 0.60 0.32 -0.55 8.46 9.02 2gihA1 SER 186 HA 0.19 0.17 0.81 -0.75 4.49 4.91 2gihA1 SER 186 HB2 0.09 -0.08 -0.08 -0.04 3.95 3.83 2gihA1 SER 186 HB3 0.07 0.03 -0.20 -0.04 3.93 3.78 2gihA1 PHE 187 H 0.01 0.31 0.17 -0.55 8.34 8.28 2gihA1 PHE 187 HA -0.09 0.41 1.07 -0.75 4.62 5.25 2gihA1 PHE 187 HB2 -1.06 -0.02 -0.09 -0.04 3.15 1.95 2gihA1 PHE 187 HB3 -0.70 -0.00 0.06 -0.04 3.06 2.38 2gihA1 PHE 187 HD2 -0.14 0.03 -0.08 -0.04 7.28 7.04 2gihA1 PHE 187 HE2 -0.04 -0.02 -0.14 -0.04 7.38 7.14 2gihA1 PHE 187 HZ -0.04 -0.08 -0.07 -0.04 7.32 7.09 2gihA1 ALA 188 H -0.77 0.48 0.34 -0.55 8.40 7.90 2gihA1 ALA 188 HA -0.19 0.18 0.66 -0.75 4.34 4.24 2gihA1 ALA 188 HB3 -0.08 0.04 -0.11 -0.04 1.41 1.22 2gihA1 GLU 189 H -0.14 0.31 0.09 -0.55 8.60 8.32 2gihA1 GLU 189 HA -0.28 0.14 1.02 -0.75 4.29 4.42 2gihA1 GLU 189 HB2 -0.07 0.02 0.02 -0.04 2.09 2.02 2gihA1 GLU 189 HB3 -0.12 -0.02 -0.02 -0.04 1.99 1.80 2gihA1 GLU 189 HG2 -0.10 -0.01 -0.29 -0.04 2.34 1.91 2gihA1 GLU 189 HG3 -0.01 0.03 -0.10 -0.04 2.34 2.23 2gihA1 LEU 190 H -0.27 0.63 0.31 -0.55 8.37 8.49 2gihA1 LEU 190 HA -0.07 0.05 0.40 -0.75 4.35 3.97 2gihA1 LEU 190 HB2 0.03 0.07 0.14 -0.04 1.64 1.85 2gihA1 LEU 190 HB3 -0.82 -0.04 0.24 -0.04 1.64 0.97 2gihA1 LEU 190 HG -0.51 -0.00 -0.18 -0.04 1.64 0.91 2gihA1 LEU 190 HD13 0.18 -0.01 0.00 -0.04 0.93 1.06 2gihA1 LEU 190 HD23 -0.12 0.00 -0.05 -0.04 0.89 0.68 2gihA1 PHE 191 H -0.68 0.07 -0.08 -0.55 8.34 7.10 2gihA1 PHE 191 HA -1.51 0.16 0.49 -0.75 4.62 3.00 2gihA1 PHE 191 HB2 -0.40 -0.01 0.08 -0.04 3.15 2.78 2gihA1 PHE 191 HB3 -0.67 0.04 0.19 -0.04 3.06 2.58 2gihA1 PHE 191 HD2 -1.59 0.06 0.03 -0.04 7.28 5.74 2gihA1 PHE 191 HE2 -0.71 0.05 -0.08 -0.04 7.38 6.61 2gihA1 PHE 191 HZ -0.10 0.02 -0.07 -0.04 7.32 7.12 2gihA1 LYS 192 H -0.08 0.43 -0.76 -0.55 8.42 7.46 2gihA1 LYS 192 HA 0.19 0.21 0.77 -0.75 4.32 4.73 2gihA1 LYS 192 HB2 -0.00 0.01 0.05 -0.04 1.87 1.89 2gihA1 LYS 192 HB3 0.07 -0.02 0.15 -0.04 1.79 1.95 2gihA1 LYS 192 HG2 0.10 0.11 0.06 -0.04 1.46 1.69 2gihA1 LYS 192 HG3 0.04 -0.08 -0.18 -0.04 1.46 1.20 2gihA1 LYS 192 HD2 0.04 -0.10 -0.01 -0.04 1.69 1.58 2gihA1 LYS 192 HD3 0.05 0.08 0.06 -0.04 1.68 1.83 2gihA1 LYS 192 HE2 0.05 -0.02 -0.00 -0.04 2.99 2.98 2gihA1 LYS 192 HE3 0.05 0.05 0.02 -0.04 2.99 3.07 2gihA1 SER 193 H 0.16 0.34 0.06 -0.55 8.46 8.47 2gihA1 SER 193 HA 0.12 0.27 0.80 -0.75 4.49 4.93 2gihA1 SER 193 HB2 -0.04 0.04 0.10 -0.04 3.95 4.01 2gihA1 SER 193 HB3 0.13 0.38 0.26 -0.04 3.93 4.66 2gihA1 GLU 194 H 0.12 0.11 0.05 -0.55 8.60 8.33 2gihA1 GLU 194 HA 0.17 0.14 0.46 -0.75 4.29 4.31 2gihA1 GLU 194 HB2 0.16 0.05 0.01 -0.04 2.09 2.27 2gihA1 GLU 194 HB3 0.05 -0.02 0.14 -0.04 1.99 2.13 2gihA1 GLU 194 HG2 0.05 0.07 -0.04 -0.04 2.34 2.37 2gihA1 GLU 194 HG3 -0.02 -0.16 -0.18 -0.04 2.34 1.94 2gihA1 PRO 195 HA -0.30 0.07 0.33 -0.51 4.44 4.03 2gihA1 PRO 195 HB2 -0.43 -0.04 -0.06 -0.04 2.28 1.71 2gihA1 PRO 195 HB3 -0.71 -0.00 0.07 -0.04 2.02 1.34 2gihA1 PRO 195 HG2 -1.21 0.02 0.16 -0.04 2.03 0.95 2gihA1 PRO 195 HG3 -3.31 0.10 0.16 -0.04 2.03 -1.06 2gihA1 PRO 195 HD2 -0.27 0.02 0.15 -0.04 3.68 3.54 2gihA1 PRO 195 HD3 -0.74 0.38 0.37 -0.04 3.65 3.62 2gihA1 SER 196 H -0.23 0.10 -0.20 -0.55 8.46 7.59 2gihA1 SER 196 HA -1.33 0.11 0.45 -0.75 4.49 2.97 2gihA1 SER 196 HB2 -0.18 0.04 0.12 -0.04 3.95 3.89 2gihA1 SER 196 HB3 -0.17 -0.00 0.08 -0.04 3.93 3.80 2gihA1 GLU 197 H -0.15 0.60 -0.46 -0.55 8.60 8.05 2gihA1 GLU 197 HA -0.02 0.13 0.66 -0.75 4.29 4.30 2gihA1 GLU 197 HB2 -0.01 -0.03 0.04 -0.04 2.09 2.05 2gihA1 GLU 197 HB3 -0.01 0.14 0.12 -0.04 1.99 2.20 2gihA1 GLU 197 HG2 0.03 0.01 0.17 -0.04 2.34 2.51 2gihA1 GLU 197 HG3 0.01 -0.03 0.07 -0.04 2.34 2.35 2gihA1 LEU 198 H -0.08 0.40 -0.18 -0.55 8.37 7.97 2gihA1 LEU 198 HA 0.17 0.01 0.56 -0.75 4.35 4.34 2gihA1 LEU 198 HB2 0.19 0.37 0.20 -0.04 1.64 2.36 2gihA1 LEU 198 HB3 0.29 -0.06 -0.10 -0.04 1.64 1.73 2gihA1 LEU 198 HG 0.28 -0.06 -0.06 -0.04 1.64 1.76 2gihA1 LEU 198 HD13 0.10 0.00 -0.14 -0.04 0.93 0.85 2gihA1 LEU 198 HD23 0.30 -0.01 -0.05 -0.04 0.89 1.09 2gihA1 TYR 199 H 0.30 0.16 0.17 -0.55 8.29 8.37 2gihA1 TYR 199 HA 0.15 0.15 0.71 -0.75 4.56 4.83 2gihA1 TYR 199 HB2 0.09 0.06 0.07 -0.04 3.06 3.25 2gihA1 TYR 199 HB3 0.09 0.09 0.25 -0.04 2.98 3.36 2gihA1 TYR 199 HD2 0.07 0.00 -0.05 -0.04 7.15 7.13 2gihA1 TYR 199 HE2 0.08 -0.02 -0.07 -0.04 6.85 6.79 2gihA1 ILE 200 H -0.34 0.24 0.11 -0.55 8.25 7.71 2gihA1 ILE 200 HA -0.30 0.15 0.64 -0.75 4.18 3.91 2gihA1 ILE 200 HB -0.44 0.00 0.11 -0.04 1.89 1.52 2gihA1 ILE 200 HG12 -0.05 -0.03 -0.15 -0.04 1.49 1.22 2gihA1 ILE 200 HG13 0.00 0.08 -0.22 -0.04 1.21 1.02 2gihA1 ILE 200 HG23 -1.40 -0.02 -0.37 -0.04 0.93 -0.89 2gihA1 ILE 200 HD13 -0.05 0.01 -0.06 -0.04 0.88 0.73 2gihA1 ASN 201 H -0.27 0.72 0.04 -0.55 8.53 8.47 2gihA1 ASN 201 HA -0.17 0.09 0.65 -0.75 4.76 4.57 2gihA1 ASN 201 HB2 0.18 0.07 0.03 -0.04 2.88 3.13 2gihA1 ASN 201 HB3 -0.01 0.11 0.19 -0.04 2.79 3.05 2gihA1 ASN 201 HD21 0.21 0.01 -0.02 -0.04 7.03 7.19 2gihA1 ASN 201 HD22 0.26 0.09 -0.02 -0.04 7.74 8.03 2gihA1 TRP 202 H 0.09 0.30 0.09 -0.55 7.97 7.91 2gihA1 TRP 202 HA 0.00 0.01 0.32 -0.75 4.62 4.20 2gihA1 TRP 202 HB2 0.01 0.00 0.09 -0.04 3.23 3.29 2gihA1 TRP 202 HB3 -0.01 0.04 -0.01 -0.04 3.23 3.21 2gihA1 TRP 202 HD1 -0.09 0.02 0.10 -0.04 7.22 7.21 2gihA1 TRP 202 HE1 -0.17 0.02 -0.04 -0.04 10.20 9.97 2gihA1 TRP 202 HE3 -0.03 -0.02 -0.00 -0.04 7.59 7.49 2gihA1 TRP 202 HZ2 -0.38 0.02 -0.19 -0.04 7.44 6.85 2gihA1 TRP 202 HZ3 -0.05 -0.01 -0.02 -0.04 7.13 7.00 2gihA1 TRP 202 HH2 -0.88 0.04 -0.02 -0.04 7.19 6.29 2gihA1 ALA 203 H 0.21 0.11 -0.11 -0.55 8.40 8.06 2gihA1 ALA 203 HA 0.12 0.13 0.49 -0.75 4.34 4.33 2gihA1 ALA 203 HB3 0.14 0.02 0.05 -0.04 1.41 1.58 2gihA1 ALA 204 H 0.07 0.07 -0.39 -0.55 8.40 7.59 2gihA1 ALA 204 HA 0.01 0.14 0.51 -0.75 4.34 4.25 2gihA1 ALA 204 HB3 0.01 0.02 0.10 -0.04 1.41 1.50 2gihA1 ALA 205 H 0.03 0.56 -0.10 -0.55 8.40 8.34 2gihA1 ALA 205 HA 0.03 0.06 0.29 -0.75 4.34 3.96 2gihA1 ALA 205 HB3 -0.01 0.04 0.00 -0.04 1.41 1.40 2gihA1 MET 206 H 0.02 0.30 -0.44 -0.55 8.47 7.80 2gihA1 MET 206 HA -0.27 -0.00 0.08 -0.75 4.52 3.58 2gihA1 MET 206 HB2 0.04 0.08 -0.07 -0.04 2.15 2.16 2gihA1 MET 206 HB3 -0.16 -0.13 0.15 -0.04 2.03 1.85 2gihA1 MET 206 HG2 0.40 0.04 0.03 -0.04 2.63 3.05 2gihA1 MET 206 HG3 0.14 0.01 -0.19 -0.04 2.56 2.48 2gihA1 MET 206 HE3 0.11 -0.00 -0.07 -0.04 2.10 2.10 2gihA1 GLN 207 H -0.09 0.50 -0.44 -0.55 8.47 7.90 2gihA1 GLN 207 HA -0.08 -0.03 0.69 -0.75 4.36 4.19 2gihA1 GLN 207 HB2 -0.07 0.05 0.07 -0.04 2.15 2.16 2gihA1 GLN 207 HB3 -0.09 -0.12 -0.05 -0.04 2.02 1.73 2gihA1 GLN 207 HG2 -0.04 0.19 -0.14 -0.04 2.40 2.37 2gihA1 GLN 207 HG3 -0.05 -0.01 -0.04 -0.04 2.39 2.25 2gihA1 GLN 207 HE21 -0.03 -0.07 -0.03 -0.04 6.97 6.80 2gihA1 GLN 207 HE22 -0.02 0.15 0.01 -0.04 7.69 7.79 2gihA1 ILE 208 H -0.06 0.57 0.37 -0.55 8.25 8.58 2gihA1 ILE 208 HA -0.02 0.26 0.62 -0.75 4.18 4.28 2gihA1 ILE 208 HB 0.00 -0.03 0.18 -0.04 1.89 2.00 2gihA1 ILE 208 HG12 0.15 0.03 -0.15 -0.04 1.49 1.49 2gihA1 ILE 208 HG13 0.05 -0.07 0.03 -0.04 1.21 1.19 2gihA1 ILE 208 HG23 0.17 -0.01 -0.20 -0.04 0.93 0.85 2gihA1 ILE 208 HD13 0.15 0.00 -0.07 -0.04 0.88 0.92 2gihA1 GLN 209 H 0.13 0.51 0.32 -0.55 8.47 8.89 2gihA1 GLN 209 HA -0.21 0.33 1.04 -0.75 4.36 4.75 2gihA1 GLN 209 HB2 0.21 -0.08 0.04 -0.04 2.15 2.27 2gihA1 GLN 209 HB3 -0.01 0.05 -0.25 -0.04 2.02 1.77 2gihA1 GLN 209 HG2 -0.06 0.01 -0.41 -0.04 2.40 1.90 2gihA1 GLN 209 HG3 0.02 0.12 -0.34 -0.04 2.39 2.14 2gihA1 GLN 209 HE21 0.03 -0.06 -0.04 -0.04 6.97 6.85 2gihA1 GLN 209 HE22 -0.04 -0.03 -0.10 -0.04 7.69 7.48 2gihA1 PHE 210 H -0.50 0.53 0.15 -0.55 8.34 7.96 2gihA1 PHE 210 HA -0.10 0.10 0.40 -0.75 4.62 4.27 2gihA1 PHE 210 HB2 -0.03 -0.17 0.07 -0.04 3.15 2.97 2gihA1 PHE 210 HB3 -0.01 0.18 -0.04 -0.04 3.06 3.15 2gihA1 PHE 210 HD2 -0.08 -0.11 -0.43 -0.04 7.28 6.61 2gihA1 PHE 210 HE2 -0.30 0.01 -0.19 -0.04 7.38 6.86 2gihA1 PHE 210 HZ -0.79 0.03 -0.16 -0.04 7.32 6.36 2gihA1 HIS 211 H 0.25 0.10 0.07 -0.55 8.41 8.29 2gihA1 HIS 211 HA 0.04 0.32 0.80 -0.75 4.63 5.04 2gihA1 HIS 211 HB2 0.07 -0.03 0.04 -0.04 3.26 3.30 2gihA1 HIS 211 HB3 0.04 -0.02 -0.04 -0.04 3.20 3.13 2gihA1 HIS 211 HD2 0.04 0.03 -0.14 -0.04 6.97 6.85 2gihA1 HIS 211 HE1 0.04 0.05 -0.40 -0.04 7.75 7.39 2gihA1 VAL 212 H 0.34 0.03 -0.08 -0.55 8.24 7.97 2gihA1 VAL 212 HA 0.04 0.05 0.23 -0.75 4.13 3.69 2gihA1 VAL 212 HB 0.09 -0.03 -0.10 -0.04 2.12 2.04 2gihA1 VAL 212 HG13 0.13 0.05 -0.40 -0.04 0.97 0.71 2gihA1 VAL 212 HG23 0.09 0.09 -0.11 -0.04 0.95 0.97 2gihA1 ARG 213 H 0.11 0.26 -0.62 -0.55 8.46 7.66 2gihA1 ARG 213 HA 0.03 0.13 0.33 -0.75 4.34 4.08 2gihA1 ARG 213 HB2 0.03 0.01 -0.06 -0.04 1.90 1.84 2gihA1 ARG 213 HB3 0.02 -0.01 -0.11 -0.04 1.80 1.66 2gihA1 ARG 213 HG2 0.02 0.03 0.01 -0.04 1.67 1.68 2gihA1 ARG 213 HG3 -0.01 0.01 -0.07 -0.04 1.67 1.56 2gihA1 ARG 213 HD2 -0.01 -0.01 -0.13 -0.04 3.22 3.04 2gihA1 ARG 213 HD3 0.01 0.03 0.02 -0.04 3.22 3.24 2gihA1 ASP 214 H 0.08 -0.29 -0.51 -0.55 8.40 7.13 2gihA1 ASP 214 HA 0.01 0.33 0.78 -0.75 4.63 4.99 2gihA1 ASP 214 HB2 0.09 -0.18 -0.06 -0.04 2.71 2.52 2gihA1 ASP 214 HB3 0.04 0.09 0.04 -0.04 2.70 2.83 2gihA1 LEU 215 H -0.09 -0.07 -0.31 -0.55 8.37 7.35 2gihA1 LEU 215 HA -0.31 -0.01 0.37 -0.75 4.35 3.64 2gihA1 LEU 215 HB2 -0.75 -0.18 0.03 -0.04 1.64 0.70 2gihA1 LEU 215 HB3 -0.25 0.15 -0.01 -0.04 1.64 1.49 2gihA1 LEU 215 HG -0.24 0.26 -0.28 -0.04 1.64 1.34 2gihA1 LEU 215 HD13 -0.89 -0.03 -0.02 -0.04 0.93 -0.04 2gihA1 LEU 215 HD23 -0.32 -0.03 -0.27 -0.04 0.89 0.23 2gihA1 ASP 216 H -0.11 0.05 0.18 -0.55 8.40 7.97 2gihA1 ASP 216 HA -0.01 0.13 0.56 -0.75 4.63 4.54 2gihA1 ASP 216 HB2 -0.00 0.10 0.16 -0.04 2.71 2.93 2gihA1 ASP 216 HB3 0.01 -0.15 0.21 -0.04 2.70 2.73 2gihA1 GLN 217 H 0.01 0.15 0.14 -0.55 8.47 8.23 2gihA1 GLN 217 HA 0.04 0.37 0.88 -0.75 4.36 4.90 2gihA1 GLN 217 HB2 0.02 0.01 0.13 -0.04 2.15 2.26 2gihA1 GLN 217 HB3 0.02 -0.02 0.23 -0.04 2.02 2.21 2gihA1 GLN 217 HG2 -0.04 0.17 -0.35 -0.04 2.40 2.14 2gihA1 GLN 217 HG3 -0.01 0.03 0.01 -0.04 2.39 2.38 2gihA1 GLN 217 HE21 -0.07 0.33 -0.07 -0.04 6.97 7.12 2gihA1 GLN 217 HE22 -0.05 0.42 -0.56 -0.04 7.69 7.45 2gihA1 GLY 218 H 0.09 0.01 -0.13 -0.55 8.43 7.85 2gihA1 GLY 218 HA2 0.06 0.27 0.90 -0.51 4.01 4.73 2gihA1 GLY 218 HA3 0.05 -0.04 0.33 -0.51 4.01 3.85 2gihA1 PHE 219 H 0.26 0.44 -0.20 -0.55 8.34 8.28 2gihA1 PHE 219 HA 0.07 0.06 0.60 -0.75 4.62 4.59 2gihA1 PHE 219 HB2 0.19 -0.07 -0.62 -0.04 3.15 2.61 2gihA1 PHE 219 HB3 0.19 0.02 -0.23 -0.04 3.06 2.99 2gihA1 PHE 219 HD2 0.14 0.01 -0.20 -0.04 7.28 7.19 2gihA1 PHE 219 HE2 0.08 -0.00 -0.18 -0.04 7.38 7.24 2gihA1 PHE 219 HZ 0.08 -0.09 -0.18 -0.04 7.32 7.09 2gihA1 ASN 220 H -0.53 0.16 -0.01 -0.55 8.53 7.60 2gihA1 ASN 220 HA -0.09 0.23 0.89 -0.75 4.76 5.04 2gihA1 ASN 220 HB2 -0.10 -0.00 0.09 -0.04 2.88 2.83 2gihA1 ASN 220 HB3 -0.06 0.06 -0.10 -0.04 2.79 2.65 2gihA1 ASN 220 HD21 -0.11 -0.01 0.07 -0.04 7.03 6.94 2gihA1 ASN 220 HD22 -0.13 -0.01 0.15 -0.04 7.74 7.72 2gihA1 GLY 221 H -0.16 0.32 -0.04 -0.55 8.43 8.01 2gihA1 GLY 221 HA2 -0.13 0.16 0.59 -0.51 4.01 4.11 2gihA1 GLY 221 HA3 -0.24 -0.03 0.32 -0.51 4.01 3.56 2gihA1 THR 222 H 0.07 0.06 0.17 -0.55 8.28 8.04 2gihA1 THR 222 HA 0.05 0.34 0.90 -0.75 4.39 4.92 2gihA1 THR 222 HB -0.09 -0.05 0.21 -0.04 4.32 4.35 2gihA1 THR 222 HG23 -0.02 0.05 0.01 -0.04 1.22 1.22 2gihA1 ARG 223 H -0.05 0.27 0.23 -0.55 8.46 8.35 2gihA1 ARG 223 HA -0.10 0.14 0.49 -0.75 4.34 4.12 2gihA1 ARG 223 HB2 -0.10 0.12 0.25 -0.04 1.90 2.13 2gihA1 ARG 223 HB3 -0.07 -0.05 0.25 -0.04 1.80 1.89 2gihA1 ARG 223 HG2 -0.22 0.12 0.08 -0.04 1.67 1.61 2gihA1 ARG 223 HG3 -0.13 -0.05 -0.04 -0.04 1.67 1.41 2gihA1 ARG 223 HD2 -1.32 0.01 0.05 -0.04 3.22 1.92 2gihA1 ARG 223 HD3 -0.65 -0.10 0.15 -0.04 3.22 2.57 2gihA1 GLU 224 H -0.47 0.11 -0.04 -0.55 8.60 7.65 2gihA1 GLU 224 HA -0.66 0.12 0.36 -0.75 4.29 3.36 2gihA1 GLU 224 HB2 -1.69 0.07 0.10 -0.04 2.09 0.52 2gihA1 GLU 224 HB3 -0.45 -0.08 0.07 -0.04 1.99 1.50 2gihA1 GLU 224 HG2 -0.21 -0.03 -0.17 -0.04 2.34 1.88 2gihA1 GLU 224 HG3 -0.45 0.06 0.02 -0.04 2.34 1.93 2gihA1 GLU 225 H -0.07 0.01 -0.29 -0.55 8.60 7.71 2gihA1 GLU 225 HA 0.01 0.07 0.40 -0.75 4.29 4.02 2gihA1 GLU 225 HB2 0.11 -0.16 0.19 -0.04 2.09 2.19 2gihA1 GLU 225 HB3 0.25 0.08 -0.04 -0.04 1.99 2.23 2gihA1 GLU 225 HG2 0.04 0.07 0.04 -0.04 2.34 2.45 2gihA1 GLU 225 HG3 0.01 0.03 0.05 -0.04 2.34 2.40 2gihA1 TRP 226 H 0.27 0.60 -0.15 -0.55 7.97 8.14 2gihA1 TRP 226 HA -0.22 -0.02 0.38 -0.75 4.62 4.00 2gihA1 TRP 226 HB2 -0.28 0.09 0.12 -0.04 3.23 3.12 2gihA1 TRP 226 HB3 -0.27 0.13 0.15 -0.04 3.23 3.19 2gihA1 TRP 226 HD1 -2.00 -0.02 -0.06 -0.04 7.22 5.09 2gihA1 TRP 226 HE1 -0.32 0.72 0.18 -0.04 10.20 10.73 2gihA1 TRP 226 HE3 -0.12 0.06 -0.43 -0.04 7.59 7.06 2gihA1 TRP 226 HZ2 -0.03 0.06 -0.08 -0.04 7.44 7.35 2gihA1 TRP 226 HZ3 -0.06 -0.01 -0.06 -0.04 7.13 6.96 2gihA1 TRP 226 HH2 -0.18 -0.01 -0.06 -0.04 7.19 6.89 2gihA1 ALA 227 H 0.16 0.50 -0.26 -0.55 8.40 8.25 2gihA1 ALA 227 HA 0.34 -0.00 0.47 -0.75 4.34 4.40 2gihA1 ALA 227 HB3 0.14 0.04 0.14 -0.04 1.41 1.69 2gihA1 LYS 228 H 0.04 0.63 0.10 -0.55 8.42 8.63 2gihA1 LYS 228 HA 0.05 -0.00 0.36 -0.75 4.32 3.97 2gihA1 SER 229 H -0.04 0.62 -0.36 -0.55 8.46 8.13 2gihA1 SER 229 HA -0.04 0.03 0.49 -0.75 4.49 4.20 2gihA1 SER 229 HB2 -0.02 0.03 0.07 -0.04 3.95 3.98 2gihA1 SER 229 HB3 -0.28 0.12 0.17 -0.04 3.93 3.90 2gihA1 TYR 230 H -0.25 0.73 0.08 -0.55 8.29 8.30 2gihA1 TYR 230 HA -0.25 -0.04 0.40 -0.75 4.56 3.93 2gihA1 TYR 230 HB2 -1.12 0.01 0.16 -0.04 3.06 2.07 2gihA1 TYR 230 HB3 -0.22 0.12 0.22 -0.04 2.98 3.07 2gihA1 TYR 230 HD2 -0.02 0.04 -0.07 -0.04 7.15 7.06 2gihA1 TYR 230 HE2 0.02 -0.00 -0.13 -0.04 6.85 6.70 2gihA1 LEU 231 H 0.05 0.70 -0.11 -0.55 8.37 8.47 2gihA1 LEU 231 HA -0.06 -0.02 0.39 -0.75 4.35 3.91 2gihA1 LEU 231 HB2 0.08 0.21 0.11 -0.04 1.64 2.00 2gihA1 LEU 231 HB3 0.05 0.04 -0.06 -0.04 1.64 1.63 2gihA1 LEU 231 HG 0.08 -0.03 0.02 -0.04 1.64 1.67 2gihA1 LEU 231 HD13 0.09 0.02 0.09 -0.04 0.93 1.08 2gihA1 LEU 231 HD23 0.08 -0.01 -0.10 -0.04 0.89 0.82 2gihA1 LYS 232 H -0.02 0.39 -0.40 -0.55 8.42 7.84 2gihA1 LYS 232 HA 0.01 0.01 0.47 -0.75 4.32 4.05 2gihA1 LYS 232 HB2 0.00 0.16 0.21 -0.04 1.87 2.20 2gihA1 LYS 232 HB3 -0.01 0.12 0.21 -0.04 1.79 2.07 2gihA1 LYS 232 HG2 0.01 -0.03 -0.07 -0.04 1.46 1.33 2gihA1 LYS 232 HG3 0.01 -0.04 0.08 -0.04 1.46 1.46 2gihA1 LYS 232 HD2 0.00 -0.00 0.03 -0.04 1.69 1.67 2gihA1 LYS 232 HD3 0.01 -0.02 0.01 -0.04 1.68 1.63 2gihA1 LYS 232 HE2 0.01 -0.02 -0.00 -0.04 2.99 2.93 2gihA1 LYS 232 HE3 0.01 -0.02 0.02 -0.04 2.99 2.96 2gihA1 HIS 233 H 0.00 0.51 -0.06 -0.55 8.41 8.32 2gihA1 HIS 233 HA -0.05 -0.01 0.42 -0.75 4.63 4.24 2gihA1 HIS 233 HB2 -0.10 -0.05 0.08 -0.04 3.26 3.15 2gihA1 HIS 233 HB3 -0.24 0.19 0.15 -0.04 3.20 3.25 2gihA1 HIS 233 HD2 0.03 -0.02 -0.05 -0.04 6.97 6.89 2gihA1 HIS 233 HE1 0.05 -0.01 0.06 -0.04 7.75 7.81 2gihA1 PHE 234 H -0.16 0.61 -0.17 -0.55 8.34 8.07 2gihA1 PHE 234 HA -0.20 -0.00 0.41 -0.75 4.62 4.07 2gihA1 PHE 234 HB2 -0.67 0.02 0.05 -0.04 3.15 2.50 2gihA1 PHE 234 HB3 -0.24 0.11 0.14 -0.04 3.06 3.03 2gihA1 PHE 234 HD2 0.03 0.03 -0.10 -0.04 7.28 7.21 2gihA1 PHE 234 HE2 0.16 -0.04 -0.15 -0.04 7.38 7.30 2gihA1 PHE 234 HZ 0.36 -0.02 -0.05 -0.04 7.32 7.56 2gihA1 VAL 235 H 0.05 0.56 -0.13 -0.55 8.24 8.16 2gihA1 VAL 235 HA -0.15 0.02 0.46 -0.75 4.13 3.70 2gihA1 VAL 235 HB -0.00 0.10 0.19 -0.04 2.12 2.37 2gihA1 VAL 235 HG13 -0.02 -0.02 -0.04 -0.04 0.97 0.85 2gihA1 VAL 235 HG23 0.12 0.12 0.10 -0.04 0.95 1.25 2gihA1 THR 236 H -0.06 0.58 -0.03 -0.55 8.28 8.22 2gihA1 THR 236 HA -0.07 0.03 0.42 -0.75 4.39 4.01 2gihA1 THR 236 HB -0.03 -0.05 0.08 -0.04 4.32 4.28 2gihA1 THR 236 HG23 -0.01 0.12 0.09 -0.04 1.22 1.38 2gihA1 GLN 237 H -0.16 0.63 -0.12 -0.55 8.47 8.27 2gihA1 GLN 237 HA -0.06 0.00 0.54 -0.75 4.36 4.09 2gihA1 GLN 237 HB2 -0.09 0.13 0.17 -0.04 2.15 2.32 2gihA1 GLN 237 HB3 0.28 -0.09 0.06 -0.04 2.02 2.22 2gihA1 GLN 237 HG2 -0.62 0.18 0.12 -0.04 2.40 2.05 2gihA1 GLN 237 HG3 -0.31 -0.03 0.07 -0.04 2.39 2.08 2gihA1 GLN 237 HE21 0.07 -0.01 0.06 -0.04 6.97 7.05 2gihA1 GLN 237 HE22 0.11 -0.02 0.10 -0.04 7.69 7.84 2gihA1 ALA 238 H -0.24 0.52 -0.25 -0.55 8.40 7.89 2gihA1 ALA 238 HA -1.29 -0.03 0.46 -0.75 4.34 2.72 2gihA1 ALA 238 HB3 -0.51 0.04 0.13 -0.04 1.41 1.02 2gihA1 GLU 239 H -0.23 0.40 -0.33 -0.55 8.60 7.89 2gihA1 GLU 239 HA -0.20 0.03 0.46 -0.75 4.29 3.82 2gihA1 GLU 239 HB2 -0.12 0.05 0.13 -0.04 2.09 2.11 2gihA1 GLU 239 HB3 -0.12 0.19 0.20 -0.04 1.99 2.22 2gihA1 GLU 239 HG2 -0.09 -0.03 -0.16 -0.04 2.34 2.02 2gihA1 GLU 239 HG3 -0.09 -0.03 0.04 -0.04 2.34 2.21 2gihA1 GLN 240 H -0.16 0.46 -0.03 -0.55 8.47 8.19 2gihA1 GLN 240 HA -0.10 0.03 0.45 -0.75 4.36 3.99 2gihA1 GLN 240 HB2 -0.08 0.10 0.25 -0.04 2.15 2.38 2gihA1 GLN 240 HB3 -0.05 -0.04 0.05 -0.04 2.02 1.94 2gihA1 GLN 240 HG2 -0.06 0.19 0.13 -0.04 2.40 2.62 2gihA1 GLN 240 HG3 -0.02 -0.01 0.05 -0.04 2.39 2.37 2gihA1 GLN 240 HE21 -0.04 -0.01 -0.00 -0.04 6.97 6.88 2gihA1 GLN 240 HE22 -0.05 0.03 -0.01 -0.04 7.69 7.61 2gihA1 ARG 241 H -0.37 0.64 -0.07 -0.55 8.46 8.11 2gihA1 ARG 241 HA -0.21 -0.04 0.36 -0.75 4.34 3.70 2gihA1 ARG 241 HB2 -1.11 0.05 0.15 -0.04 1.90 0.95 2gihA1 ARG 241 HB3 -1.15 0.16 0.13 -0.04 1.80 0.90 2gihA1 ARG 241 HG2 -0.84 -0.03 -0.01 -0.04 1.67 0.75 2gihA1 ARG 241 HG3 -0.36 0.01 -0.18 -0.04 1.67 1.10 2gihA1 ARG 241 HD2 -0.07 -0.03 0.11 -0.04 3.22 3.18 2gihA1 ARG 241 HD3 0.08 -0.02 0.06 -0.04 3.22 3.30 2gihA1 ALA 242 H -0.34 0.47 -0.35 -0.55 8.40 7.64 2gihA1 ALA 242 HA -0.17 -0.02 0.42 -0.75 4.34 3.82 2gihA1 ALA 242 HB3 -0.17 0.06 0.14 -0.04 1.41 1.39 2gihA1 ILE 243 H -0.13 0.47 -0.19 -0.55 8.25 7.85 2gihA1 ILE 243 HA -0.06 0.01 0.52 -0.75 4.18 3.90 2gihA1 ILE 243 HB -0.08 0.17 0.25 -0.04 1.89 2.19 2gihA1 ILE 243 HG12 -0.09 0.21 0.11 -0.04 1.49 1.67 2gihA1 ILE 243 HG13 -0.06 -0.04 0.04 -0.04 1.21 1.10 2gihA1 ILE 243 HG23 -0.05 -0.03 -0.07 -0.04 0.93 0.75 2gihA1 ILE 243 HD13 -0.05 -0.02 0.01 -0.04 0.88 0.78 2gihA1 SER 244 H -0.10 0.65 0.06 -0.55 8.46 8.52 2gihA1 SER 244 HA -0.08 0.02 0.42 -0.75 4.49 4.09 2gihA1 SER 244 HB2 -0.07 0.07 0.16 -0.04 3.95 4.07 2gihA1 SER 244 HB3 -0.06 -0.04 -0.00 -0.04 3.93 3.78 2gihA1 MET 245 H -0.04 0.69 -0.13 -0.55 8.47 8.45 2gihA1 MET 245 HA 0.05 -0.02 0.40 -0.75 4.52 4.20 2gihA1 MET 245 HB2 0.04 0.18 0.14 -0.04 2.15 2.47 2gihA1 MET 245 HB3 0.25 -0.05 0.02 -0.04 2.03 2.21 2gihA1 MET 245 HG2 0.30 -0.10 0.04 -0.04 2.63 2.82 2gihA1 MET 245 HG3 -0.01 0.41 0.08 -0.04 2.56 3.00 2gihA1 MET 245 HE3 0.05 -0.01 -0.01 -0.04 2.10 2.09 2gihA1 ILE 246 H -0.01 0.40 -0.25 -0.55 8.25 7.84 2gihA1 ILE 246 HA 0.04 -0.01 0.45 -0.75 4.18 3.91 2gihA1 ILE 246 HB -0.03 0.21 0.23 -0.04 1.89 2.27 2gihA1 ILE 246 HG12 -0.01 0.25 0.19 -0.04 1.49 1.87 2gihA1 ILE 246 HG13 -0.02 -0.02 0.08 -0.04 1.21 1.21 2gihA1 ILE 246 HG23 -0.00 -0.02 -0.05 -0.04 0.93 0.81 2gihA1 ILE 246 HD13 0.01 -0.02 0.02 -0.04 0.88 0.85 2gihA1 ASP 247 H -0.06 0.50 -0.07 -0.55 8.40 8.22 2gihA1 ASP 247 HA -0.05 -0.02 0.42 -0.75 4.63 4.23 2gihA1 ASP 247 HB2 -0.08 0.09 0.16 -0.04 2.71 2.83 2gihA1 ASP 247 HB3 -0.07 -0.03 0.07 -0.04 2.70 2.62 2gihA1 LYS 248 H -0.20 0.37 -0.30 -0.55 8.42 7.73 2gihA1 LYS 248 HA -0.19 0.19 0.97 -0.75 4.32 4.54 2gihA1 LYS 248 HB2 -0.33 -0.02 0.01 -0.04 1.87 1.48 2gihA1 LYS 248 HB3 -0.98 -0.01 0.08 -0.04 1.79 0.84 2gihA1 LYS 248 HG2 -0.79 -0.01 -0.14 -0.04 1.46 0.48 2gihA1 LYS 248 HG3 -0.24 0.01 0.06 -0.04 1.46 1.24 2gihA1 LYS 248 HD2 -0.18 -0.01 -0.02 -0.04 1.69 1.44 2gihA1 LYS 248 HD3 -0.35 -0.04 -0.05 -0.04 1.68 1.20 2gihA1 LYS 248 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 2gihA1 LYS 248 HE3 -0.04 0.02 -0.01 -0.04 2.99 2.92 2gihA1 PHE 249 H -0.11 0.83 0.24 -0.55 8.34 8.74 2gihA1 PHE 249 HA 0.39 0.20 0.89 -0.75 4.62 5.34 2gihA1 PHE 249 HB2 0.06 0.05 0.06 -0.04 3.15 3.28 2gihA1 PHE 249 HB3 0.06 -0.03 0.12 -0.04 3.06 3.17 2gihA1 PHE 249 HD2 0.09 0.03 0.01 -0.04 7.28 7.37 2gihA1 PHE 249 HE2 0.06 -0.02 -0.04 -0.04 7.38 7.34 2gihA1 PHE 249 HZ 0.07 -0.05 -0.03 -0.04 7.32 7.26 2gihA1 VAL 250 H 0.14 0.29 0.03 -0.55 8.24 8.15 2gihA1 VAL 250 HA 0.21 0.18 0.92 -0.75 4.13 4.69 2gihA1 VAL 250 HB 0.07 0.14 0.33 -0.04 2.12 2.62 2gihA1 VAL 250 HG13 0.06 -0.01 -0.07 -0.04 0.97 0.91 2gihA1 VAL 250 HG23 0.10 0.01 -0.05 -0.04 0.95 0.98 2gihA1 LYS 251 H 0.04 0.50 0.19 -0.55 8.42 8.59 2gihA1 LYS 251 HA 0.02 -0.03 0.40 -0.75 4.32 3.95 2gihA1 LYS 251 HB2 -0.03 0.20 0.16 -0.04 1.87 2.15 2gihA1 LYS 251 HB3 -0.03 -0.03 0.01 -0.04 1.79 1.70 2gihA1 LYS 251 HG2 -0.01 -0.05 0.05 -0.04 1.46 1.41 2gihA1 LYS 251 HG3 0.00 0.01 0.08 -0.04 1.46 1.51 2gihA1 LYS 251 HD2 -0.03 0.00 -0.04 -0.04 1.69 1.58 2gihA1 LYS 251 HD3 -0.03 0.01 0.03 -0.04 1.68 1.65 2gihA1 LYS 251 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.87 2gihA1 LYS 251 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.90 2gihA1 PRO 252 HA -0.16 0.05 0.48 -0.51 4.44 4.30 2gihA1 PRO 252 HB2 -0.69 0.08 -0.05 -0.04 2.28 1.58 2gihA1 PRO 252 HB3 -0.30 -0.02 0.11 -0.04 2.02 1.76 2gihA1 PRO 252 HG2 -0.16 0.13 0.11 -0.04 2.03 2.06 2gihA1 PRO 252 HG3 -0.13 -0.02 0.06 -0.04 2.03 1.90 2gihA1 PRO 252 HD2 -0.03 0.09 -0.48 -0.04 3.68 3.22 2gihA1 PRO 252 HD3 -0.06 0.17 -0.03 -0.04 3.65 3.69 2gihA1 PHE 253 H 0.11 0.44 -0.57 -0.55 8.34 7.76 2gihA1 PHE 253 HA 0.35 0.21 0.99 -0.75 4.62 5.42 2gihA1 PHE 253 HB2 0.11 0.17 0.03 -0.04 3.15 3.42 2gihA1 PHE 253 HB3 0.16 -0.08 0.10 -0.04 3.06 3.20 2gihA1 PHE 253 HD2 0.09 0.09 -0.13 -0.04 7.28 7.29 2gihA1 PHE 253 HE2 0.11 0.01 0.03 -0.04 7.38 7.48 2gihA1 PHE 253 HZ 0.10 -0.04 -0.01 -0.04 7.32 7.33 2gihA1 LYS 254 H 0.09 0.39 -0.03 -0.55 8.42 8.32 2gihA1 LYS 254 HA 0.11 0.04 0.43 -0.75 4.32 4.14 2gihA1 LYS 254 HB2 0.01 0.14 0.15 -0.04 1.87 2.13 2gihA1 LYS 254 HB3 0.02 -0.04 -0.02 -0.04 1.79 1.71 2gihA1 LYS 254 HG2 0.07 -0.02 0.01 -0.04 1.46 1.47 2gihA1 LYS 254 HG3 0.06 0.08 -0.08 -0.04 1.46 1.48 2gihA1 LYS 254 HD2 0.01 0.02 -0.00 -0.04 1.69 1.67 2gihA1 LYS 254 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.62 2gihA1 LYS 254 HE2 0.03 -0.02 -0.06 -0.04 2.99 2.90 2gihA1 LYS 254 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.93 2gihA1 LYS 255 H -0.10 0.22 -0.20 -0.55 8.42 7.80 2gihA1 LYS 255 HA -0.09 0.07 0.34 -0.75 4.32 3.88 2gihA1 LYS 255 HB2 -0.24 0.01 0.08 -0.04 1.87 1.69 2gihA1 LYS 255 HB3 -0.18 -0.02 0.08 -0.04 1.79 1.64 2gihA1 LYS 255 HG2 -0.49 0.00 -0.11 -0.04 1.46 0.82 2gihA1 LYS 255 HG3 -1.11 0.03 -0.24 -0.04 1.46 0.10 2gihA1 LYS 255 HD2 -0.28 -0.04 -0.01 -0.04 1.69 1.31 2gihA1 LYS 255 HD3 -0.24 0.00 0.01 -0.04 1.68 1.41 2gihA1 LYS 255 HE2 -0.31 0.18 0.05 -0.04 2.99 2.87 2gihA1 LYS 255 HE3 -0.74 -0.03 -0.03 -0.04 2.99 2.15 2gihA1 TYR 256 H 0.09 0.28 -0.72 -0.55 8.29 7.39 2gihA1 TYR 256 HA 0.04 0.13 0.71 -0.75 4.56 4.68 2gihA1 TYR 256 HB2 0.10 0.17 0.07 -0.04 3.06 3.36 2gihA1 TYR 256 HB3 0.06 -0.05 0.06 -0.04 2.98 3.01 2gihA1 TYR 256 HD2 0.12 0.07 0.06 -0.04 7.15 7.36 2gihA1 TYR 256 HE2 0.02 0.04 0.02 -0.04 6.85 6.89 2gihA1 ILE 257 H 0.13 0.28 0.05 -0.55 8.25 8.16 2gihA1 ILE 257 HA 0.08 0.19 0.97 -0.75 4.18 4.67 2gihA1 ILE 257 HB 0.06 -0.06 0.04 -0.04 1.89 1.88 2gihA1 ILE 257 HG12 0.13 0.07 0.23 -0.04 1.49 1.87 2gihA1 ILE 257 HG13 0.07 0.01 0.03 -0.04 1.21 1.28 2gihA1 ILE 257 HG23 0.10 -0.00 -0.07 -0.04 0.93 0.92 2gihA1 ILE 257 HD13 0.08 -0.02 -0.05 -0.04 0.88 0.85 2gihA1 LEU 258 H 0.04 0.64 0.10 -0.55 8.37 8.61 2gihA1 LEU 258 HA 0.02 0.15 0.44 -0.75 4.35 4.20