============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 20 0.900 -4.780 -13.787 -38.104 -99.200 -91.000 TYR 22 0.840 -3.180 -11.975 -31.722 -99.200 -91.000 TRP 35 1.040 0.052 -17.368 -25.253 -99.200 -91.000 TRP6 35 1.020 -0.841 -19.032 -26.656 -99.200 -91.000 PHE 42 1.000 -1.219 -17.917 -17.894 -99.200 -91.000 HIS 43 0.900 -0.855 -22.317 -23.617 -99.200 -91.000 TRP 45 1.040 2.925 -12.792 -22.473 -99.200 -91.000 TRP6 45 1.020 2.302 -13.295 -24.702 -99.200 -91.000 PHE 76 1.000 -5.782 -14.200 -19.179 -99.200 -91.000 TYR 81 0.840 -4.725 -6.526 -27.996 -99.200 -91.000 PHE 82 1.000 -12.125 -6.670 -33.136 -99.200 -91.000 TYR 84 0.840 -11.747 -6.996 -39.232 -99.200 -91.000 PHE 90 1.000 -0.168 -8.314 -29.253 -99.200 -91.000 PHE 114 1.000 -4.467 -2.747 -33.211 -99.200 -91.000 TRP 116 1.040 -7.834 -2.757 -26.247 -99.200 -91.000 TRP6 116 1.020 -6.535 -1.179 -27.427 -99.200 -91.000 TYR 119 0.840 -11.094 -11.073 -20.517 -99.200 -91.000 TRP 127 1.040 -16.574 -5.465 -13.275 -99.200 -91.000 TRP6 127 1.020 -16.018 -7.180 -11.734 -99.200 -91.000 PHE 136 1.000 -15.163 5.474 -33.816 -99.200 -91.000 TYR 140 0.840 -14.869 -3.550 -29.212 -99.200 -91.000 TYR 162 0.840 -15.470 2.505 -38.372 -99.200 -91.000 PHE 166 1.000 -12.797 6.935 -38.611 -99.200 -91.000 TRP 176 1.040 -10.727 18.876 -32.451 -99.200 -91.000 TRP6 176 1.020 -10.850 17.630 -30.442 -99.200 -91.000 TYR 196 0.840 -2.419 7.863 -26.489 -99.200 -91.000 TYR 211 0.840 -14.679 24.984 -19.876 -99.200 -91.000 TRP 216 1.040 -9.101 26.898 -13.216 -99.200 -91.000 TRP6 216 1.020 -7.594 25.694 -11.882 -99.200 -91.000 TYR 219 0.840 -16.279 26.973 -10.059 -99.200 -91.000 PHE 229 1.000 -15.759 9.340 -1.773 -99.200 -91.000 TYR 237 0.840 -13.693 15.522 -0.179 -99.200 -91.000 PHE 248 1.000 -11.706 20.738 -4.978 -99.200 -91.000 PHE 259 1.000 -7.225 18.720 -8.181 -99.200 -91.000 PHE 268 1.000 -8.235 17.139 -25.012 -99.200 -91.000 HIS 271 0.900 -1.684 12.052 -18.623 -99.200 -91.000 PHE 290 1.000 -10.966 21.632 -15.972 -99.200 -91.000 HIS 300 0.900 -24.315 23.043 -6.015 -99.200 -91.000 PHE 309 1.000 -22.377 14.792 -19.322 -99.200 -91.000 TYR 310 0.840 -19.062 15.390 -24.241 -99.200 -91.000 HIS 317 0.900 -15.701 19.894 -30.390 -99.200 -91.000 TYR 318 0.840 -11.666 9.957 -29.567 -99.200 -91.000 HIS 323 0.900 -20.260 9.285 -24.323 -99.200 -91.000 HIS 325 0.900 -22.041 9.994 -34.899 -99.200 -91.000 TYR 332 0.840 -14.670 3.350 -19.823 -99.200 -91.000 PHE 334 1.000 -14.155 11.745 -20.066 -99.200 -91.000 PHE 336 1.000 -10.497 8.898 -13.866 -99.200 -91.000 HIS 341 0.900 -22.713 4.975 -12.149 -99.200 -91.000 HIS 342 0.900 -23.629 9.800 -18.262 -99.200 -91.000 HIS 347 0.900 -20.146 -6.801 -12.358 -99.200 -91.000 PHE 361 1.000 -14.511 -2.181 -40.330 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gd0A1 VAL 37 HA 0.01 -0.02 0.19 -0.75 4.13 3.56 3gd0A1 VAL 37 HB 0.04 -0.10 0.03 -0.04 2.12 2.04 3gd0A1 VAL 37 HG13 0.04 0.07 -0.18 -0.04 0.97 0.86 3gd0A1 VAL 37 HG23 0.02 -0.04 0.02 -0.04 0.95 0.91 3gd0A1 PRO 38 HA 0.01 0.06 0.51 -0.51 4.44 4.51 3gd0A1 PRO 38 HB2 0.00 -0.09 0.10 -0.04 2.28 2.26 3gd0A1 PRO 38 HB3 0.00 -0.03 0.12 -0.04 2.02 2.07 3gd0A1 PRO 38 HG2 0.01 0.21 -0.07 -0.04 2.03 2.13 3gd0A1 PRO 38 HG3 -0.00 0.01 0.08 -0.04 2.03 2.07 3gd0A1 PRO 38 HD2 0.01 0.13 0.08 -0.04 3.68 3.85 3gd0A1 PRO 38 HD3 -0.00 0.09 0.12 -0.04 3.65 3.81 3gd0A1 ALA 39 H 0.00 0.06 0.15 -0.55 8.40 8.07 3gd0A1 ALA 39 HA 0.01 0.05 0.28 -0.75 4.34 3.93 3gd0A1 ALA 39 HB3 -0.00 -0.02 0.09 -0.04 1.41 1.44 3gd0A1 THR 40 H 0.00 0.09 -0.15 -0.55 8.28 7.68 3gd0A1 THR 40 HA 0.02 0.37 0.65 -0.75 4.39 4.68 3gd0A1 THR 40 HB -0.01 -0.00 -0.22 -0.04 4.32 4.05 3gd0A1 THR 40 HG23 -0.02 -0.03 -0.33 -0.04 1.22 0.80 3gd0A1 ILE 41 H 0.01 0.49 0.18 -0.55 8.25 8.38 3gd0A1 ILE 41 HA -0.01 0.21 0.55 -0.75 4.18 4.18 3gd0A1 ILE 41 HB -0.01 0.09 -0.18 -0.04 1.89 1.75 3gd0A1 ILE 41 HG12 0.02 0.05 -0.11 -0.04 1.49 1.41 3gd0A1 ILE 41 HG13 -0.01 -0.07 -0.39 -0.04 1.21 0.69 3gd0A1 ILE 41 HG23 0.01 0.02 -0.28 -0.04 0.93 0.64 3gd0A1 ILE 41 HD13 0.01 -0.03 -0.30 -0.04 0.88 0.52 3gd0A1 PRO 42 HA -0.02 0.21 0.70 -0.51 4.44 4.82 3gd0A1 PRO 42 HB2 -0.02 -0.01 -0.05 -0.04 2.28 2.16 3gd0A1 PRO 42 HB3 -0.02 0.00 0.03 -0.04 2.02 1.99 3gd0A1 PRO 42 HG2 -0.02 -0.03 0.24 -0.04 2.03 2.18 3gd0A1 PRO 42 HG3 -0.01 0.02 0.10 -0.04 2.03 2.10 3gd0A1 PRO 42 HD2 -0.01 0.36 0.31 -0.04 3.68 4.30 3gd0A1 PRO 42 HD3 -0.01 0.10 0.13 -0.04 3.65 3.83 3gd0A1 LEU 43 H -0.04 0.86 0.41 -0.55 8.37 9.06 3gd0A1 LEU 43 HA -0.04 0.20 0.85 -0.75 4.35 4.61 3gd0A1 LEU 43 HB2 -0.09 0.00 -0.07 -0.04 1.64 1.44 3gd0A1 LEU 43 HB3 -0.06 0.01 0.09 -0.04 1.64 1.63 3gd0A1 LEU 43 HG -0.04 -0.01 -0.51 -0.04 1.64 1.04 3gd0A1 LEU 43 HD13 -0.06 0.01 -0.42 -0.04 0.93 0.42 3gd0A1 LEU 43 HD23 -0.08 -0.01 -0.16 -0.04 0.89 0.60 3gd0A1 THR 44 H -0.02 0.64 0.30 -0.55 8.28 8.65 3gd0A1 THR 44 HA -0.02 0.21 0.90 -0.75 4.39 4.73 3gd0A1 THR 44 HB -0.02 -0.03 0.20 -0.04 4.32 4.42 3gd0A1 THR 44 HG23 -0.02 -0.01 -0.18 -0.04 1.22 0.96 3gd0A1 ILE 45 H -0.03 0.80 0.41 -0.55 8.25 8.88 3gd0A1 ILE 45 HA -0.05 0.37 1.07 -0.75 4.18 4.82 3gd0A1 ILE 45 HB -0.04 -0.07 0.19 -0.04 1.89 1.93 3gd0A1 ILE 45 HG12 -0.04 -0.01 -0.18 -0.04 1.49 1.23 3gd0A1 ILE 45 HG13 -0.03 0.07 -0.18 -0.04 1.21 1.03 3gd0A1 ILE 45 HG23 -0.09 -0.01 -0.12 -0.04 0.93 0.68 3gd0A1 ILE 45 HD13 -0.00 -0.00 -0.12 -0.04 0.88 0.72 3gd0A1 THR 46 H -0.05 0.57 0.44 -0.55 8.28 8.69 3gd0A1 THR 46 HA -0.03 0.25 1.05 -0.75 4.39 4.90 3gd0A1 THR 46 HB -0.03 -0.07 0.10 -0.04 4.32 4.28 3gd0A1 THR 46 HG23 -0.01 -0.00 -0.30 -0.04 1.22 0.86 3gd0A1 ASN 47 H -0.02 0.72 0.24 -0.55 8.53 8.93 3gd0A1 ASN 47 HA -0.03 0.09 0.92 -0.75 4.76 4.99 3gd0A1 ASN 47 HB2 -0.03 0.13 -0.08 -0.04 2.88 2.86 3gd0A1 ASN 47 HB3 -0.00 0.11 -0.05 -0.04 2.79 2.80 3gd0A1 ASN 47 HD21 0.07 0.02 -0.07 -0.04 7.03 7.00 3gd0A1 ASN 47 HD22 -0.01 0.53 -0.02 -0.04 7.74 8.21 3gd0A1 ASN 48 H -0.00 0.56 0.16 -0.55 8.53 8.71 3gd0A1 ASN 48 HA 0.02 0.09 0.85 -0.75 4.76 4.97 3gd0A1 ASN 48 HB2 0.00 0.16 0.07 -0.04 2.88 3.07 3gd0A1 ASN 48 HB3 0.01 -0.05 0.18 -0.04 2.79 2.89 3gd0A1 ASN 48 HD21 -0.00 -0.01 -0.11 -0.04 7.03 6.87 3gd0A1 ASN 48 HD22 -0.00 -0.00 -0.09 -0.04 7.74 7.61 3gd0A1 SER 49 H 0.09 0.07 -0.27 -0.55 8.46 7.80 3gd0A1 SER 49 HA 0.14 0.22 -0.23 -0.75 4.49 3.87 3gd0A1 SER 49 HB2 0.39 0.03 -0.02 -0.04 3.95 4.31 3gd0A1 SER 49 HB3 0.35 0.05 -0.05 -0.04 3.93 4.23 3gd0A1 GLY 50 H 0.07 0.09 -0.32 -0.55 8.43 7.72 3gd0A1 GLY 50 HA2 0.04 0.02 0.23 -0.51 4.01 3.79 3gd0A1 GLY 50 HA3 0.05 0.09 0.50 -0.51 4.01 4.13 3gd0A1 ARG 51 H 0.09 -0.02 -0.35 -0.55 8.46 7.63 3gd0A1 ARG 51 HA -0.04 0.19 0.75 -0.75 4.34 4.49 3gd0A1 ARG 51 HB2 0.12 0.02 -0.05 -0.04 1.90 1.96 3gd0A1 ARG 51 HB3 -0.07 -0.12 0.05 -0.04 1.80 1.62 3gd0A1 ARG 51 HG2 -0.30 0.04 -0.10 -0.04 1.67 1.27 3gd0A1 ARG 51 HG3 -0.12 0.10 -0.18 -0.04 1.67 1.43 3gd0A1 ARG 51 HD2 -1.69 0.04 -0.00 -0.04 3.22 1.53 3gd0A1 ARG 51 HD3 -1.07 0.00 -0.03 -0.04 3.22 2.08 3gd0A1 ALA 52 H -0.01 0.11 0.15 -0.55 8.40 8.10 3gd0A1 ALA 52 HA 0.03 0.21 0.61 -0.75 4.34 4.43 3gd0A1 ALA 52 HB3 0.01 0.00 0.06 -0.04 1.41 1.44 3gd0A1 GLU 53 H 0.08 -0.04 -0.09 -0.55 8.60 8.00 3gd0A1 GLU 53 HA 0.05 0.02 0.39 -0.75 4.29 4.00 3gd0A1 GLU 53 HB2 0.28 -0.02 -0.01 -0.04 2.09 2.30 3gd0A1 GLU 53 HB3 0.14 0.08 0.02 -0.04 1.99 2.18 3gd0A1 GLU 53 HG2 0.10 0.06 -0.11 -0.04 2.34 2.35 3gd0A1 GLU 53 HG3 0.05 -0.01 0.01 -0.04 2.34 2.35 3gd0A1 GLN 54 H 0.01 0.05 0.21 -0.55 8.47 8.19 3gd0A1 GLN 54 HA -0.05 0.14 0.61 -0.75 4.36 4.30 3gd0A1 GLN 54 HB2 -0.15 0.05 0.07 -0.04 2.15 2.08 3gd0A1 GLN 54 HB3 -0.05 0.00 0.15 -0.04 2.02 2.08 3gd0A1 GLN 54 HG2 -0.02 -0.11 0.15 -0.04 2.40 2.39 3gd0A1 GLN 54 HG3 -0.33 0.01 -0.29 -0.04 2.39 1.73 3gd0A1 GLN 54 HE21 0.11 -0.03 0.01 -0.04 6.97 7.01 3gd0A1 GLN 54 HE22 0.09 -0.01 0.05 -0.04 7.69 7.79 3gd0A1 ILE 55 H -0.15 0.20 0.11 -0.55 8.25 7.85 3gd0A1 ILE 55 HA -0.19 0.32 0.94 -0.75 4.18 4.49 3gd0A1 ILE 55 HB -0.11 -0.10 -0.03 -0.04 1.89 1.61 3gd0A1 ILE 55 HG12 -0.09 0.04 -0.11 -0.04 1.49 1.29 3gd0A1 ILE 55 HG13 -0.12 0.04 -0.07 -0.04 1.21 1.02 3gd0A1 ILE 55 HG23 -0.08 -0.00 -0.18 -0.04 0.93 0.63 3gd0A1 ILE 55 HD13 -0.38 -0.01 -0.20 -0.04 0.88 0.25 3gd0A1 HIS 56 H 0.03 0.62 0.28 -0.55 8.41 8.80 3gd0A1 HIS 56 HA -0.06 0.18 0.92 -0.75 4.63 4.91 3gd0A1 HIS 56 HB2 0.16 -0.03 0.04 -0.04 3.26 3.39 3gd0A1 HIS 56 HB3 -0.13 -0.03 -0.04 -0.04 3.20 2.96 3gd0A1 HIS 56 HD2 0.08 0.14 -0.77 -0.04 6.97 6.38 3gd0A1 HIS 56 HE1 -0.00 -0.03 -0.12 -0.04 7.75 7.56 3gd0A1 ILE 57 H -0.06 0.71 0.31 -0.55 8.25 8.66 3gd0A1 ILE 57 HA 0.22 0.35 1.04 -0.75 4.18 5.03 3gd0A1 ILE 57 HB 0.01 0.02 0.03 -0.04 1.89 1.91 3gd0A1 ILE 57 HG12 0.01 -0.06 -0.25 -0.04 1.49 1.15 3gd0A1 ILE 57 HG13 0.01 0.00 -0.13 -0.04 1.21 1.05 3gd0A1 ILE 57 HG23 0.11 -0.00 -0.17 -0.04 0.93 0.83 3gd0A1 ILE 57 HD13 0.09 0.01 -0.10 -0.04 0.88 0.85 3gd0A1 TYR 58 H 0.43 0.62 0.31 -0.55 8.29 9.11 3gd0A1 TYR 58 HA 0.13 0.28 0.83 -0.75 4.56 5.04 3gd0A1 TYR 58 HB2 0.27 -0.09 0.05 -0.04 3.06 3.25 3gd0A1 TYR 58 HB3 0.07 0.03 -0.07 -0.04 2.98 2.96 3gd0A1 TYR 58 HD2 0.11 0.05 -0.30 -0.04 7.15 6.96 3gd0A1 TYR 58 HE2 0.05 -0.03 -0.15 -0.04 6.85 6.68 3gd0A1 ASN 59 H 0.27 0.32 0.10 -0.55 8.53 8.67 3gd0A1 ASN 59 HA 0.34 0.28 1.10 -0.75 4.76 5.73 3gd0A1 ASN 59 HB2 0.13 -0.01 -0.04 -0.04 2.88 2.92 3gd0A1 ASN 59 HB3 0.12 0.13 0.26 -0.04 2.79 3.26 3gd0A1 ASN 59 HD21 -0.08 -0.00 -0.08 -0.04 7.03 6.82 3gd0A1 ASN 59 HD22 -0.06 0.09 -0.07 -0.04 7.74 7.65 3gd0A1 LEU 60 H 0.41 0.58 0.25 -0.55 8.37 9.07 3gd0A1 LEU 60 HA 0.40 0.25 0.98 -0.75 4.35 5.22 3gd0A1 LEU 60 HB2 0.26 -0.04 0.09 -0.04 1.64 1.91 3gd0A1 LEU 60 HB3 0.31 0.04 0.03 -0.04 1.64 1.98 3gd0A1 LEU 60 HG 0.25 -0.05 -0.23 -0.04 1.64 1.58 3gd0A1 LEU 60 HD13 -0.91 -0.00 -0.09 -0.04 0.93 -0.12 3gd0A1 LEU 60 HD23 0.29 0.02 -0.26 -0.04 0.89 0.91 3gd0A1 GLY 61 H 0.33 0.72 0.39 -0.55 8.43 9.32 3gd0A1 GLY 61 HA2 -0.03 0.01 0.56 -0.51 4.01 4.04 3gd0A1 GLY 61 HA3 -0.32 0.09 0.49 -0.51 4.01 3.76 3gd0A1 THR 62 H -0.77 0.55 0.33 -0.55 8.28 7.84 3gd0A1 THR 62 HA -0.24 0.24 0.99 -0.75 4.39 4.62 3gd0A1 THR 62 HB -0.26 -0.05 0.12 -0.04 4.32 4.09 3gd0A1 THR 62 HG23 -0.14 0.03 -0.36 -0.04 1.22 0.71 3gd0A1 GLU 63 H -0.41 0.67 0.18 -0.55 8.60 8.49 3gd0A1 GLU 63 HA -0.22 0.19 0.58 -0.75 4.29 4.09 3gd0A1 GLU 63 HB2 -1.78 0.08 0.03 -0.04 2.09 0.37 3gd0A1 GLU 63 HB3 -0.70 -0.12 0.13 -0.04 1.99 1.26 3gd0A1 GLU 63 HG2 -0.29 -0.28 -0.12 -0.04 2.34 1.61 3gd0A1 GLU 63 HG3 -0.34 0.16 0.08 -0.04 2.34 2.20 3gd0A1 LEU 64 H -0.08 0.61 0.26 -0.55 8.37 8.61 3gd0A1 LEU 64 HA -0.09 0.09 0.26 -0.75 4.35 3.85 3gd0A1 LEU 64 HB2 -0.01 0.05 -0.10 -0.04 1.64 1.54 3gd0A1 LEU 64 HB3 -0.02 0.01 0.10 -0.04 1.64 1.69 3gd0A1 LEU 64 HG -0.02 0.02 -0.25 -0.04 1.64 1.35 3gd0A1 LEU 64 HD13 -0.02 -0.00 -0.01 -0.04 0.93 0.86 3gd0A1 LEU 64 HD23 0.03 0.00 0.03 -0.04 0.89 0.91 3gd0A1 SER 65 H -0.09 0.11 -0.02 -0.55 8.46 7.92 3gd0A1 SER 65 HA -0.04 0.09 0.29 -0.75 4.49 4.08 3gd0A1 SER 65 HB2 -0.04 0.03 0.05 -0.04 3.95 3.95 3gd0A1 SER 65 HB3 -0.04 0.02 0.12 -0.04 3.93 3.98 3gd0A1 SER 66 H -0.14 0.00 -0.30 -0.55 8.46 7.47 3gd0A1 SER 66 HA -0.04 0.21 0.61 -0.75 4.49 4.51 3gd0A1 SER 66 HB2 -0.02 0.04 0.06 -0.04 3.95 3.99 3gd0A1 SER 66 HB3 -0.06 -0.01 -0.01 -0.04 3.93 3.80 3gd0A1 GLY 67 H -0.12 0.43 -0.11 -0.55 8.43 8.08 3gd0A1 GLY 67 HA2 -0.09 0.07 0.28 -0.51 4.01 3.76 3gd0A1 GLY 67 HA3 -0.05 0.05 0.49 -0.51 4.01 4.00 3gd0A1 ARG 68 H -0.09 -0.07 -0.36 -0.55 8.46 7.39 3gd0A1 ARG 68 HA 0.06 0.15 0.67 -0.75 4.34 4.47 3gd0A1 ARG 68 HB2 0.16 -0.10 0.01 -0.04 1.90 1.93 3gd0A1 ARG 68 HB3 0.21 0.11 0.04 -0.04 1.80 2.11 3gd0A1 ARG 68 HG2 0.07 0.05 -0.03 -0.04 1.67 1.72 3gd0A1 ARG 68 HG3 0.03 0.05 -0.14 -0.04 1.67 1.57 3gd0A1 ARG 68 HD2 0.06 0.00 -0.01 -0.04 3.22 3.24 3gd0A1 ARG 68 HD3 0.15 -0.05 -0.02 -0.04 3.22 3.25 3gd0A1 GLN 69 H 0.15 0.15 0.25 -0.55 8.47 8.48 3gd0A1 GLN 69 HA 0.11 0.25 1.01 -0.75 4.36 4.98 3gd0A1 GLN 69 HB2 0.32 -0.02 0.22 -0.04 2.15 2.63 3gd0A1 GLN 69 HB3 0.45 -0.01 0.16 -0.04 2.02 2.58 3gd0A1 GLN 69 HG2 0.07 0.04 0.02 -0.04 2.40 2.49 3gd0A1 GLN 69 HG3 0.09 0.04 0.11 -0.04 2.39 2.58 3gd0A1 GLN 69 HE21 0.04 -0.02 0.06 -0.04 6.97 7.01 3gd0A1 GLN 69 HE22 0.04 0.02 0.11 -0.04 7.69 7.83 3gd0A1 GLY 70 H 0.13 0.70 0.41 -0.55 8.43 9.12 3gd0A1 GLY 70 HA2 -1.89 -0.02 0.39 -0.51 4.01 1.98 3gd0A1 GLY 70 HA3 -0.67 0.17 0.61 -0.51 4.01 3.61 3gd0A1 TRP 71 H -0.81 0.61 0.32 -0.55 7.97 7.54 3gd0A1 TRP 71 HA 0.03 0.25 1.11 -0.75 4.62 5.25 3gd0A1 TRP 71 HB2 -0.11 0.10 0.12 -0.04 3.23 3.29 3gd0A1 TRP 71 HB3 -0.48 -0.07 -0.07 -0.04 3.23 2.57 3gd0A1 TRP 71 HD1 -1.64 -0.07 -0.05 -0.04 7.22 5.41 3gd0A1 TRP 71 HE1 -0.20 0.02 -0.13 -0.04 10.20 9.84 3gd0A1 TRP 71 HE3 -0.03 0.19 -0.32 -0.04 7.59 7.39 3gd0A1 TRP 71 HZ2 -0.26 -0.02 -0.09 -0.04 7.44 7.02 3gd0A1 TRP 71 HZ3 -0.06 -0.05 -0.13 -0.04 7.13 6.86 3gd0A1 TRP 71 HH2 -0.26 -0.04 -0.05 -0.04 7.19 6.80 3gd0A1 ALA 72 H 0.13 0.54 0.33 -0.55 8.40 8.86 3gd0A1 ALA 72 HA -0.28 0.33 1.00 -0.75 4.34 4.64 3gd0A1 ALA 72 HB3 -0.30 -0.02 -0.06 -0.04 1.41 0.99 3gd0A1 ASP 73 H -0.12 0.40 0.14 -0.55 8.40 8.27 3gd0A1 ASP 73 HA 0.26 0.27 0.75 -0.75 4.63 5.16 3gd0A1 ASP 73 HB2 0.15 -0.09 0.21 -0.04 2.71 2.94 3gd0A1 ASP 73 HB3 0.18 0.11 0.05 -0.04 2.70 3.01 3gd0A1 ALA 74 H 0.08 0.18 0.18 -0.55 8.40 8.29 3gd0A1 ALA 74 HA 0.02 0.13 0.40 -0.75 4.34 4.13 3gd0A1 ALA 74 HB3 0.02 0.04 0.16 -0.04 1.41 1.59 3gd0A1 SER 75 H 0.01 0.02 -0.25 -0.55 8.46 7.69 3gd0A1 SER 75 HA -0.01 0.17 0.57 -0.75 4.49 4.46 3gd0A1 SER 75 HB2 -0.02 0.05 0.10 -0.04 3.95 4.05 3gd0A1 SER 75 HB3 -0.00 -0.00 0.07 -0.04 3.93 3.96 3gd0A1 GLY 76 H -0.04 0.48 -0.41 -0.55 8.43 7.91 3gd0A1 GLY 76 HA2 -0.09 0.29 0.26 -0.51 4.01 3.96 3gd0A1 GLY 76 HA3 -0.06 0.10 0.56 -0.51 4.01 4.10 3gd0A1 ALA 77 H -0.09 -0.09 -0.31 -0.55 8.40 7.36 3gd0A1 ALA 77 HA -0.15 0.07 0.42 -0.75 4.34 3.92 3gd0A1 ALA 77 HB3 -0.20 0.00 0.01 -0.04 1.41 1.19 3gd0A1 PHE 78 H -0.16 0.09 0.19 -0.55 8.34 7.91 3gd0A1 PHE 78 HA -0.49 0.28 0.80 -0.75 4.62 4.46 3gd0A1 PHE 78 HB2 -0.15 0.05 0.01 -0.04 3.15 3.02 3gd0A1 PHE 78 HB3 -0.20 -0.06 0.11 -0.04 3.06 2.87 3gd0A1 PHE 78 HD2 -0.01 0.02 -0.22 -0.04 7.28 7.03 3gd0A1 PHE 78 HE2 0.01 -0.02 -0.27 -0.04 7.38 7.05 3gd0A1 PHE 78 HZ -0.07 0.04 -0.69 -0.04 7.32 6.57 3gd0A1 HIS 79 H -1.27 0.76 0.30 -0.55 8.41 7.66 3gd0A1 HIS 79 HA -0.73 0.17 0.88 -0.75 4.63 4.21 3gd0A1 HIS 79 HB2 -2.51 -0.04 0.12 -0.04 3.26 0.79 3gd0A1 HIS 79 HB3 -0.83 0.05 -0.00 -0.04 3.20 2.38 3gd0A1 HIS 79 HD2 -1.87 0.03 -0.19 -0.04 6.97 4.90 3gd0A1 HIS 79 HE1 -0.24 -0.05 -0.10 -0.04 7.75 7.32 3gd0A1 PRO 80 HA -0.49 0.12 0.54 -0.51 4.44 4.10 3gd0A1 PRO 80 HB2 0.02 0.16 -0.00 -0.04 2.28 2.43 3gd0A1 PRO 80 HB3 0.07 -0.06 0.05 -0.04 2.02 2.05 3gd0A1 PRO 80 HG2 -0.07 0.02 0.04 -0.04 2.03 1.99 3gd0A1 PRO 80 HG3 -0.02 -0.01 0.04 -0.04 2.03 2.00 3gd0A1 PRO 80 HD2 -0.28 0.09 0.21 -0.04 3.68 3.65 3gd0A1 PRO 80 HD3 -0.40 0.10 0.00 -0.04 3.65 3.32 3gd0A1 TRP 81 H -0.02 0.40 0.40 -0.55 7.97 8.21 3gd0A1 TRP 81 HA 0.15 0.05 0.59 -0.75 4.62 4.65 3gd0A1 TRP 81 HB2 0.06 -0.04 0.04 -0.04 3.23 3.26 3gd0A1 TRP 81 HB3 0.06 0.15 -0.00 -0.04 3.23 3.39 3gd0A1 TRP 81 HD1 0.07 -0.05 -0.16 -0.04 7.22 7.04 3gd0A1 TRP 81 HE1 0.04 -0.01 0.02 -0.04 10.20 10.22 3gd0A1 TRP 81 HE3 0.13 0.08 0.03 -0.04 7.59 7.80 3gd0A1 TRP 81 HZ2 -0.13 -0.03 -0.08 -0.04 7.44 7.15 3gd0A1 TRP 81 HZ3 -0.24 0.13 -0.07 -0.04 7.13 6.91 3gd0A1 TRP 81 HH2 -0.29 -0.05 -0.08 -0.04 7.19 6.73 3gd0A1 PRO 82 HA 0.13 0.05 0.57 -0.51 4.44 4.68 3gd0A1 PRO 82 HB2 0.09 0.08 0.04 -0.04 2.28 2.45 3gd0A1 PRO 82 HB3 0.11 -0.02 0.12 -0.04 2.02 2.19 3gd0A1 PRO 82 HG2 0.13 0.09 -0.03 -0.04 2.03 2.17 3gd0A1 PRO 82 HG3 0.16 0.00 0.06 -0.04 2.03 2.21 3gd0A1 PRO 82 HD2 0.52 0.03 0.21 -0.04 3.68 4.39 3gd0A1 PRO 82 HD3 0.37 0.15 0.20 -0.04 3.65 4.32 3gd0A1 ALA 83 H 0.07 0.03 0.12 -0.55 8.40 8.07 3gd0A1 ALA 83 HA 0.06 0.05 0.40 -0.75 4.34 4.10 3gd0A1 ALA 83 HB3 0.04 -0.00 0.09 -0.04 1.41 1.49 3gd0A1 GLY 84 H 0.02 0.11 0.03 -0.55 8.43 8.04 3gd0A1 GLY 84 HA2 -0.03 0.15 0.54 -0.51 4.01 4.15 3gd0A1 GLY 84 HA3 -0.04 0.04 -0.02 -0.51 4.01 3.47 3gd0A1 GLY 85 H -0.04 0.41 0.08 -0.55 8.43 8.33 3gd0A1 GLY 85 HA2 -0.01 0.09 0.68 -0.51 4.01 4.26 3gd0A1 GLY 85 HA3 -0.02 0.13 0.06 -0.51 4.01 3.67 3gd0A1 ASN 86 H -0.02 0.25 0.02 -0.55 8.53 8.24 3gd0A1 ASN 86 HA -0.02 0.05 0.70 -0.75 4.76 4.73 3gd0A1 ASN 86 HB2 -0.01 -0.09 -0.05 -0.04 2.88 2.68 3gd0A1 ASN 86 HB3 -0.01 0.03 0.18 -0.04 2.79 2.94 3gd0A1 ASN 86 HD21 -0.01 0.00 0.00 -0.04 7.03 6.98 3gd0A1 ASN 86 HD22 -0.01 -0.02 0.01 -0.04 7.74 7.67 3gd0A1 PRO 87 HA -0.03 0.04 0.33 -0.51 4.44 4.26 3gd0A1 PRO 87 HB2 -0.03 0.16 -0.06 -0.04 2.28 2.31 3gd0A1 PRO 87 HB3 -0.02 -0.02 0.08 -0.04 2.02 2.01 3gd0A1 PRO 87 HG2 -0.02 0.06 -0.01 -0.04 2.03 2.01 3gd0A1 PRO 87 HG3 -0.02 0.01 0.06 -0.04 2.03 2.03 3gd0A1 PRO 87 HD2 -0.02 0.10 0.25 -0.04 3.68 3.97 3gd0A1 PRO 87 HD3 -0.02 0.07 0.25 -0.04 3.65 3.91 3gd0A1 PRO 88 HA -0.06 0.26 0.50 -0.51 4.44 4.63 3gd0A1 PRO 88 HB2 -0.07 -0.02 -0.12 -0.04 2.28 2.03 3gd0A1 PRO 88 HB3 -0.09 -0.05 -0.37 -0.04 2.02 1.48 3gd0A1 PRO 88 HG2 -0.05 0.01 0.01 -0.04 2.03 1.95 3gd0A1 PRO 88 HG3 -0.05 -0.00 0.07 -0.04 2.03 2.01 3gd0A1 PRO 88 HD2 -0.04 0.10 0.13 -0.04 3.68 3.83 3gd0A1 PRO 88 HD3 -0.03 0.03 0.21 -0.04 3.65 3.81 3gd0A1 THR 89 H -0.07 0.44 0.36 -0.55 8.28 8.45 3gd0A1 THR 89 HA -0.06 0.19 0.85 -0.75 4.39 4.62 3gd0A1 THR 89 HB -0.04 0.05 0.09 -0.04 4.32 4.38 3gd0A1 THR 89 HG23 -0.03 0.01 -0.15 -0.04 1.22 1.01 3gd0A1 PRO 90 HA -0.11 0.08 0.44 -0.51 4.44 4.35 3gd0A1 PRO 90 HB2 -0.05 0.01 -0.00 -0.04 2.28 2.20 3gd0A1 PRO 90 HB3 -0.07 0.04 0.09 -0.04 2.02 2.04 3gd0A1 PRO 90 HG2 -0.04 0.01 0.07 -0.04 2.03 2.02 3gd0A1 PRO 90 HG3 -0.06 0.03 0.06 -0.04 2.03 2.02 3gd0A1 PRO 90 HD2 -0.04 0.10 0.17 -0.04 3.68 3.87 3gd0A1 PRO 90 HD3 -0.05 0.12 0.23 -0.04 3.65 3.91 3gd0A1 ALA 91 H -0.15 0.48 0.25 -0.55 8.40 8.44 3gd0A1 ALA 91 HA -0.14 0.16 0.71 -0.75 4.34 4.31 3gd0A1 ALA 91 HB3 -0.46 -0.03 -0.08 -0.04 1.41 0.80 3gd0A1 PRO 92 HA 0.02 0.05 0.52 -0.51 4.44 4.53 3gd0A1 PRO 92 HB2 0.09 0.06 -0.08 -0.04 2.28 2.31 3gd0A1 PRO 92 HB3 0.10 0.02 0.08 -0.04 2.02 2.18 3gd0A1 PRO 92 HG2 0.46 0.02 -0.01 -0.04 2.03 2.45 3gd0A1 PRO 92 HG3 0.30 0.07 0.06 -0.04 2.03 2.42 3gd0A1 PRO 92 HD2 0.30 0.05 0.19 -0.04 3.68 4.18 3gd0A1 PRO 92 HD3 0.14 0.21 0.15 -0.04 3.65 4.11 3gd0A1 ASP 93 H -0.05 0.11 0.11 -0.55 8.40 8.02 3gd0A1 ASP 93 HA -0.05 0.05 0.50 -0.75 4.63 4.37 3gd0A1 ASP 93 HB2 -0.06 0.03 0.13 -0.04 2.71 2.78 3gd0A1 ASP 93 HB3 -0.09 0.01 0.20 -0.04 2.70 2.78 3gd0A1 ALA 94 H -0.10 0.16 0.16 -0.55 8.40 8.08 3gd0A1 ALA 94 HA -1.89 0.18 0.58 -0.75 4.34 2.45 3gd0A1 ALA 94 HB3 -0.68 -0.00 0.02 -0.04 1.41 0.70 3gd0A1 SER 95 H -0.26 -0.02 -0.27 -0.55 8.46 7.36 3gd0A1 SER 95 HA -0.84 0.25 0.45 -0.75 4.49 3.60 3gd0A1 SER 95 HB2 -0.32 0.00 -0.01 -0.04 3.95 3.58 3gd0A1 SER 95 HB3 -0.46 -0.07 0.02 -0.04 3.93 3.37 3gd0A1 ILE 96 H -0.24 0.64 0.41 -0.55 8.25 8.51 3gd0A1 ILE 96 HA -0.01 0.14 0.80 -0.75 4.18 4.35 3gd0A1 ILE 96 HB -0.01 -0.04 0.07 -0.04 1.89 1.87 3gd0A1 ILE 96 HG12 0.10 -0.14 0.04 -0.04 1.49 1.45 3gd0A1 ILE 96 HG13 0.05 0.15 -0.19 -0.04 1.21 1.18 3gd0A1 ILE 96 HG23 0.01 0.03 -0.08 -0.04 0.93 0.86 3gd0A1 ILE 96 HD13 0.09 0.04 -0.12 -0.04 0.88 0.84 3gd0A1 PRO 97 HA -0.04 0.10 0.62 -0.51 4.44 4.62 3gd0A1 PRO 97 HB2 -0.02 0.02 0.09 -0.04 2.28 2.33 3gd0A1 PRO 97 HB3 -0.02 0.03 0.12 -0.04 2.02 2.11 3gd0A1 PRO 97 HG2 0.00 0.01 0.09 -0.04 2.03 2.10 3gd0A1 PRO 97 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 3gd0A1 PRO 97 HD2 0.00 0.07 0.22 -0.04 3.68 3.93 3gd0A1 PRO 97 HD3 0.00 0.16 0.17 -0.04 3.65 3.94 3gd0A1 GLY 98 H -0.08 0.60 0.29 -0.55 8.43 8.69 3gd0A1 GLY 98 HA2 -0.03 0.10 0.52 -0.51 4.01 4.09 3gd0A1 GLY 98 HA3 -0.05 -0.03 0.18 -0.51 4.01 3.60 3gd0A1 PRO 99 HA -0.03 0.03 0.34 -0.51 4.44 4.27 3gd0A1 PRO 99 HB2 -0.03 0.21 -0.10 -0.04 2.28 2.32 3gd0A1 PRO 99 HB3 -0.03 -0.06 -0.09 -0.04 2.02 1.80 3gd0A1 PRO 99 HG2 -0.06 -0.04 -0.10 -0.04 2.03 1.79 3gd0A1 PRO 99 HG3 -0.05 0.10 -0.28 -0.04 2.03 1.75 3gd0A1 PRO 99 HD2 -0.06 0.05 0.07 -0.04 3.68 3.70 3gd0A1 PRO 99 HD3 -0.04 0.14 0.11 -0.04 3.65 3.82 3gd0A1 ALA 100 H -0.02 0.06 0.11 -0.55 8.40 8.01 3gd0A1 ALA 100 HA -0.01 0.16 0.64 -0.75 4.34 4.38 3gd0A1 ALA 100 HB3 -0.01 0.00 0.09 -0.04 1.41 1.46 3gd0A1 PRO 101 HA 0.02 0.03 0.39 -0.51 4.44 4.37 3gd0A1 PRO 101 HB2 0.02 -0.01 0.07 -0.04 2.28 2.32 3gd0A1 PRO 101 HB3 0.03 -0.05 0.04 -0.04 2.02 2.00 3gd0A1 PRO 101 HG2 0.02 0.00 0.08 -0.04 2.03 2.09 3gd0A1 PRO 101 HG3 0.04 0.24 0.13 -0.04 2.03 2.40 3gd0A1 PRO 101 HD2 0.01 0.05 0.17 -0.04 3.68 3.87 3gd0A1 PRO 101 HD3 0.01 0.17 0.21 -0.04 3.65 4.00 3gd0A1 GLY 102 H 0.01 0.70 0.40 -0.55 8.43 9.00 3gd0A1 GLY 102 HA2 0.01 -0.03 0.39 -0.51 4.01 3.86 3gd0A1 GLY 102 HA3 0.01 0.08 0.63 -0.51 4.01 4.21 3gd0A1 ARG 103 H -0.00 0.51 -0.05 -0.55 8.46 8.36 3gd0A1 ARG 103 HA -0.01 0.16 0.91 -0.75 4.34 4.65 3gd0A1 ARG 103 HB2 -0.01 -0.00 -0.01 -0.04 1.90 1.83 3gd0A1 ARG 103 HB3 -0.01 0.02 0.11 -0.04 1.80 1.88 3gd0A1 ARG 103 HG2 -0.00 0.05 -0.29 -0.04 1.67 1.38 3gd0A1 ARG 103 HG3 -0.00 0.10 -0.27 -0.04 1.67 1.46 3gd0A1 ARG 103 HD2 -0.01 0.01 0.01 -0.04 3.22 3.19 3gd0A1 ARG 103 HD3 -0.00 -0.02 -0.04 -0.04 3.22 3.11 3gd0A1 SER 104 H -0.01 0.17 0.21 -0.55 8.46 8.29 3gd0A1 SER 104 HA -0.02 0.31 1.08 -0.75 4.49 5.10 3gd0A1 SER 104 HB2 -0.02 0.07 -0.08 -0.04 3.95 3.87 3gd0A1 SER 104 HB3 -0.02 -0.07 -0.09 -0.04 3.93 3.72 3gd0A1 THR 105 H -0.02 0.67 0.42 -0.55 8.28 8.79 3gd0A1 THR 105 HA -0.01 0.15 0.82 -0.75 4.39 4.59 3gd0A1 THR 105 HB -0.01 0.05 0.08 -0.04 4.32 4.39 3gd0A1 THR 105 HG23 -0.02 0.01 -0.22 -0.04 1.22 0.95 3gd0A1 THR 106 H -0.01 0.19 0.18 -0.55 8.28 8.09 3gd0A1 THR 106 HA -0.02 0.35 1.20 -0.75 4.39 5.16 3gd0A1 THR 106 HB -0.01 -0.04 0.07 -0.04 4.32 4.29 3gd0A1 THR 106 HG23 -0.02 0.01 -0.19 -0.04 1.22 0.98 3gd0A1 ILE 107 H -0.02 0.57 0.33 -0.55 8.25 8.58 3gd0A1 ILE 107 HA -0.01 0.27 0.83 -0.75 4.18 4.52 3gd0A1 ILE 107 HB -0.01 0.08 0.10 -0.04 1.89 2.02 3gd0A1 ILE 107 HG12 -0.02 0.00 -0.01 -0.04 1.49 1.42 3gd0A1 ILE 107 HG13 -0.04 -0.02 -0.34 -0.04 1.21 0.77 3gd0A1 ILE 107 HG23 0.01 -0.03 -0.13 -0.04 0.93 0.74 3gd0A1 ILE 107 HD13 0.01 0.00 -0.17 -0.04 0.88 0.68 3gd0A1 GLN 108 H -0.02 0.58 0.13 -0.55 8.47 8.61 3gd0A1 GLN 108 HA -0.03 0.14 0.77 -0.75 4.36 4.49 3gd0A1 GLN 108 HB2 -0.03 -0.04 -0.46 -0.04 2.15 1.58 3gd0A1 GLN 108 HB3 -0.03 0.00 -0.23 -0.04 2.02 1.72 3gd0A1 GLN 108 HG2 -0.02 -0.02 -0.16 -0.04 2.40 2.16 3gd0A1 GLN 108 HG3 -0.02 0.02 -0.11 -0.04 2.39 2.25 3gd0A1 GLN 108 HE21 -0.01 -0.00 -0.15 -0.04 6.97 6.76 3gd0A1 GLN 108 HE22 -0.01 -0.02 -0.22 -0.04 7.69 7.39 3gd0A1 ILE 109 H -0.03 0.68 0.24 -0.55 8.25 8.59 3gd0A1 ILE 109 HA -0.06 0.15 0.73 -0.75 4.18 4.25 3gd0A1 ILE 109 HB -0.02 -0.04 0.07 -0.04 1.89 1.86 3gd0A1 ILE 109 HG12 -0.09 0.02 -0.11 -0.04 1.49 1.26 3gd0A1 ILE 109 HG13 -0.24 -0.05 -0.14 -0.04 1.21 0.74 3gd0A1 ILE 109 HG23 0.09 0.05 -0.19 -0.04 0.93 0.85 3gd0A1 ILE 109 HD13 -0.15 0.01 -0.24 -0.04 0.88 0.46 3gd0A1 PRO 110 HA 0.02 0.37 0.81 -0.51 4.44 5.13 3gd0A1 PRO 110 HB2 0.01 -0.05 0.08 -0.04 2.28 2.28 3gd0A1 PRO 110 HB3 -0.05 0.09 0.08 -0.04 2.02 2.10 3gd0A1 PRO 110 HG2 -0.21 -0.05 -0.24 -0.04 2.03 1.49 3gd0A1 PRO 110 HG3 -0.24 0.09 -0.06 -0.04 2.03 1.79 3gd0A1 PRO 110 HD2 -0.21 0.01 0.10 -0.04 3.68 3.54 3gd0A1 PRO 110 HD3 -0.15 0.25 0.16 -0.04 3.65 3.86 3gd0A1 LYS 111 H 0.06 0.21 0.21 -0.55 8.42 8.34 3gd0A1 LYS 111 HA 0.16 0.20 0.65 -0.75 4.32 4.57 3gd0A1 LYS 111 HB2 0.04 -0.14 0.21 -0.04 1.87 1.94 3gd0A1 LYS 111 HB3 0.07 -0.05 0.09 -0.04 1.79 1.85 3gd0A1 LYS 111 HG2 0.09 0.04 -0.26 -0.04 1.46 1.29 3gd0A1 LYS 111 HG3 0.06 0.16 -0.02 -0.04 1.46 1.63 3gd0A1 LYS 111 HD2 0.03 -0.09 -0.05 -0.04 1.69 1.54 3gd0A1 LYS 111 HD3 0.05 -0.17 -0.12 -0.04 1.68 1.40 3gd0A1 LYS 111 HE2 0.04 0.34 -0.36 -0.04 2.99 2.97 3gd0A1 LYS 111 HE3 0.03 0.01 -0.18 -0.04 2.99 2.81 3gd0A1 PHE 112 H 0.19 0.56 0.43 -0.55 8.34 8.96 3gd0A1 PHE 112 HA -0.08 0.19 0.75 -0.75 4.62 4.72 3gd0A1 PHE 112 HB2 0.07 0.05 -0.82 -0.04 3.15 2.42 3gd0A1 PHE 112 HB3 0.12 -0.02 -0.21 -0.04 3.06 2.92 3gd0A1 PHE 112 HD2 -0.04 -0.02 -0.36 -0.04 7.28 6.82 3gd0A1 PHE 112 HE2 0.18 -0.05 -0.58 -0.04 7.38 6.89 3gd0A1 PHE 112 HZ 0.18 0.09 -0.34 -0.04 7.32 7.20 3gd0A1 SER 113 H -0.50 0.48 0.30 -0.55 8.46 8.20 3gd0A1 SER 113 HA -0.28 0.24 1.00 -0.75 4.49 4.69 3gd0A1 SER 113 HB2 -0.14 -0.02 0.04 -0.04 3.95 3.80 3gd0A1 SER 113 HB3 -0.20 -0.03 0.18 -0.04 3.93 3.84 3gd0A1 GLY 114 H -0.41 0.70 0.31 -0.55 8.43 8.48 3gd0A1 GLY 114 HA2 -0.10 -0.00 0.56 -0.51 4.01 3.96 3gd0A1 GLY 114 HA3 -0.05 0.14 0.56 -0.51 4.01 4.15 3gd0A1 ARG 115 H 0.23 0.63 0.36 -0.55 8.46 9.13 3gd0A1 ARG 115 HA 0.27 0.26 1.15 -0.75 4.34 5.27 3gd0A1 ARG 115 HB2 -0.02 -0.03 0.07 -0.04 1.90 1.88 3gd0A1 ARG 115 HB3 -0.27 0.01 -0.09 -0.04 1.80 1.41 3gd0A1 ARG 115 HG2 0.04 0.02 -0.14 -0.04 1.67 1.54 3gd0A1 ARG 115 HG3 -0.06 -0.07 -0.39 -0.04 1.67 1.11 3gd0A1 ARG 115 HD2 -0.35 -0.00 -0.08 -0.04 3.22 2.75 3gd0A1 ARG 115 HD3 -1.51 -0.01 -0.12 -0.04 3.22 1.54 3gd0A1 ILE 116 H 0.31 0.47 0.31 -0.55 8.25 8.80 3gd0A1 ILE 116 HA 0.32 0.35 1.16 -0.75 4.18 5.26 3gd0A1 ILE 116 HB 0.14 -0.09 0.20 -0.04 1.89 2.10 3gd0A1 ILE 116 HG12 0.13 -0.05 -0.11 -0.04 1.49 1.42 3gd0A1 ILE 116 HG13 -0.07 -0.01 -0.07 -0.04 1.21 1.02 3gd0A1 ILE 116 HG23 0.16 0.01 -0.13 -0.04 0.93 0.93 3gd0A1 ILE 116 HD13 0.05 0.02 -0.07 -0.04 0.88 0.84 3gd0A1 TYR 117 H 0.55 0.55 0.28 -0.55 8.29 9.13 3gd0A1 TYR 117 HA 0.35 0.25 1.14 -0.75 4.56 5.54 3gd0A1 TYR 117 HB2 0.40 -0.09 0.10 -0.04 3.06 3.42 3gd0A1 TYR 117 HB3 0.31 0.04 -0.03 -0.04 2.98 3.26 3gd0A1 TYR 117 HD2 0.28 0.06 -0.11 -0.04 7.15 7.34 3gd0A1 TYR 117 HE2 -0.07 -0.00 -0.09 -0.04 6.85 6.65 3gd0A1 PHE 118 H 0.07 0.62 0.37 -0.55 8.34 8.85 3gd0A1 PHE 118 HA 0.25 0.38 0.85 -0.75 4.62 5.34 3gd0A1 PHE 118 HB2 -0.02 0.01 0.03 -0.04 3.15 3.13 3gd0A1 PHE 118 HB3 0.07 0.01 -0.06 -0.04 3.06 3.03 3gd0A1 PHE 118 HD2 -0.06 0.01 -0.24 -0.04 7.28 6.94 3gd0A1 PHE 118 HE2 -0.12 -0.01 -0.20 -0.04 7.38 7.01 3gd0A1 PHE 118 HZ 0.20 0.24 -0.25 -0.04 7.32 7.46 3gd0A1 SER 119 H 0.31 0.54 0.34 -0.55 8.46 9.10 3gd0A1 SER 119 HA 0.29 0.25 1.06 -0.75 4.49 5.33 3gd0A1 SER 119 HB2 0.25 0.10 -0.01 -0.04 3.95 4.25 3gd0A1 SER 119 HB3 0.24 -0.08 -0.11 -0.04 3.93 3.93 3gd0A1 TYR 120 H 0.41 0.66 0.32 -0.55 8.29 9.13 3gd0A1 TYR 120 HA 0.14 0.21 0.82 -0.75 4.56 4.97 3gd0A1 TYR 120 HB2 0.13 0.02 0.26 -0.04 3.06 3.43 3gd0A1 TYR 120 HB3 0.07 -0.08 0.01 -0.04 2.98 2.95 3gd0A1 TYR 120 HD2 0.18 0.05 -0.10 -0.04 7.15 7.24 3gd0A1 TYR 120 HE2 0.38 -0.02 -0.12 -0.04 6.85 7.06 3gd0A1 GLY 121 H 0.09 0.87 0.17 -0.55 8.43 9.01 3gd0A1 GLY 121 HA2 0.11 -0.08 0.41 -0.51 4.01 3.93 3gd0A1 GLY 121 HA3 0.13 0.04 0.49 -0.51 4.01 4.16 3gd0A1 ARG 122 H 0.17 0.44 0.08 -0.55 8.46 8.59 3gd0A1 ARG 122 HA 0.09 0.05 0.58 -0.75 4.34 4.31 3gd0A1 ARG 122 HB2 0.08 -0.02 0.04 -0.04 1.90 1.96 3gd0A1 ARG 122 HB3 0.01 0.14 -0.03 -0.04 1.80 1.88 3gd0A1 ARG 122 HG2 0.04 -0.01 -0.01 -0.04 1.67 1.64 3gd0A1 ARG 122 HG3 0.07 -0.05 0.01 -0.04 1.67 1.66 3gd0A1 ARG 122 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.17 3gd0A1 ARG 122 HD3 0.05 0.02 -0.02 -0.04 3.22 3.22 3gd0A1 LYS 123 H -0.10 0.09 0.10 -0.55 8.42 7.95 3gd0A1 LYS 123 HA -0.18 0.05 0.53 -0.75 4.32 3.96 3gd0A1 LYS 123 HB2 -0.12 0.04 -0.15 -0.04 1.87 1.59 3gd0A1 LYS 123 HB3 -0.12 -0.01 0.02 -0.04 1.79 1.65 3gd0A1 LYS 123 HG2 -0.25 -0.08 0.13 -0.04 1.46 1.23 3gd0A1 LYS 123 HG3 -0.16 0.01 0.02 -0.04 1.46 1.28 3gd0A1 LYS 123 HD2 -0.67 -0.01 -0.02 -0.04 1.69 0.95 3gd0A1 LYS 123 HD3 -1.05 0.04 -0.08 -0.04 1.68 0.55 3gd0A1 LYS 123 HE2 -0.14 0.00 -0.01 -0.04 2.99 2.80 3gd0A1 LYS 123 HE3 -0.15 -0.03 -0.02 -0.04 2.99 2.76 3gd0A1 MET 124 H -0.01 0.07 0.02 -0.55 8.47 8.00 3gd0A1 MET 124 HA -0.37 0.15 0.55 -0.75 4.52 4.09 3gd0A1 MET 124 HB2 -0.97 -0.04 -0.09 -0.04 2.15 1.01 3gd0A1 MET 124 HB3 -1.23 0.04 -0.12 -0.04 2.03 0.68 3gd0A1 MET 124 HG2 -0.45 0.06 -0.17 -0.04 2.63 2.02 3gd0A1 MET 124 HG3 -0.16 -0.01 -0.13 -0.04 2.56 2.22 3gd0A1 MET 124 HE3 -1.33 0.01 -0.12 -0.04 2.10 0.61 3gd0A1 GLU 125 H -0.53 0.16 -0.00 -0.55 8.60 7.68 3gd0A1 GLU 125 HA -0.27 0.15 0.75 -0.75 4.29 4.17 3gd0A1 GLU 125 HB2 -0.22 0.05 -0.05 -0.04 2.09 1.83 3gd0A1 GLU 125 HB3 -0.26 -0.08 0.02 -0.04 1.99 1.63 3gd0A1 GLU 125 HG2 -0.16 0.02 -0.10 -0.04 2.34 2.05 3gd0A1 GLU 125 HG3 -0.14 0.04 0.01 -0.04 2.34 2.20 3gd0A1 PHE 126 H -0.17 0.24 0.08 -0.55 8.34 7.94 3gd0A1 PHE 126 HA -0.32 0.20 0.88 -0.75 4.62 4.63 3gd0A1 PHE 126 HB2 -0.37 0.01 0.02 -0.04 3.15 2.77 3gd0A1 PHE 126 HB3 -0.44 0.06 0.03 -0.04 3.06 2.67 3gd0A1 PHE 126 HD2 -0.42 0.08 -0.07 -0.04 7.28 6.83 3gd0A1 PHE 126 HE2 -1.23 -0.02 -0.11 -0.04 7.38 5.98 3gd0A1 PHE 126 HZ -1.74 -0.01 -0.12 -0.04 7.32 5.41 3gd0A1 ARG 127 H -0.12 0.24 0.17 -0.55 8.46 8.20 3gd0A1 ARG 127 HA -0.18 0.21 0.84 -0.75 4.34 4.46 3gd0A1 ARG 127 HB2 -0.12 -0.06 -0.09 -0.04 1.90 1.59 3gd0A1 ARG 127 HB3 -0.12 0.03 -0.18 -0.04 1.80 1.49 3gd0A1 ARG 127 HG2 -0.12 0.06 -0.30 -0.04 1.67 1.28 3gd0A1 ARG 127 HG3 -0.14 -0.07 -0.45 -0.04 1.67 0.98 3gd0A1 ARG 127 HD2 -0.09 -0.05 -0.16 -0.04 3.22 2.88 3gd0A1 ARG 127 HD3 -0.08 0.12 -0.31 -0.04 3.22 2.91 3gd0A1 LEU 128 H -0.16 0.79 0.24 -0.55 8.37 8.69 3gd0A1 LEU 128 HA -0.26 0.18 0.95 -0.75 4.35 4.47 3gd0A1 LEU 128 HB2 -0.14 0.00 0.03 -0.04 1.64 1.50 3gd0A1 LEU 128 HB3 -0.16 0.07 -0.07 -0.04 1.64 1.43 3gd0A1 LEU 128 HG -0.41 -0.08 -0.36 -0.04 1.64 0.75 3gd0A1 LEU 128 HD13 -0.09 0.09 -0.14 -0.04 0.93 0.75 3gd0A1 LEU 128 HD23 -1.13 0.01 -0.21 -0.04 0.89 -0.48 3gd0A1 THR 129 H -0.11 0.64 0.28 -0.55 8.28 8.54 3gd0A1 THR 129 HA -0.05 0.45 0.98 -0.75 4.39 5.01 3gd0A1 THR 129 HB -0.06 0.02 0.07 -0.04 4.32 4.31 3gd0A1 THR 129 HG23 -0.04 -0.01 -0.12 -0.04 1.22 1.01 3gd0A1 THR 130 H -0.02 0.20 0.01 -0.55 8.28 7.92 3gd0A1 THR 130 HA -0.01 0.11 0.09 -0.75 4.39 3.83 3gd0A1 THR 130 HB -0.01 -0.04 0.04 -0.04 4.32 4.26 3gd0A1 THR 130 HG23 0.00 0.02 -0.11 -0.04 1.22 1.09 3gd0A1 GLY 131 H -0.01 0.01 -0.28 -0.55 8.43 7.60 3gd0A1 GLY 131 HA2 0.01 0.15 0.45 -0.51 4.01 4.11 3gd0A1 GLY 131 HA3 0.00 -0.02 0.22 -0.51 4.01 3.71 3gd0A1 GLY 132 H -0.02 0.32 -0.42 -0.55 8.43 7.77 3gd0A1 GLY 132 HA2 0.03 0.09 0.24 -0.51 4.01 3.85 3gd0A1 GLY 132 HA3 0.05 0.17 0.92 -0.51 4.01 4.64 3gd0A1 LEU 133 H 0.01 0.14 0.12 -0.55 8.37 8.10 3gd0A1 LEU 133 HA -0.38 0.15 0.43 -0.75 4.35 3.79 3gd0A1 LEU 133 HB2 -0.07 -0.00 0.09 -0.04 1.64 1.61 3gd0A1 LEU 133 HB3 0.02 -0.03 0.08 -0.04 1.64 1.68 3gd0A1 LEU 133 HG -0.14 0.10 -0.36 -0.04 1.64 1.20 3gd0A1 LEU 133 HD13 -0.61 0.02 0.01 -0.04 0.93 0.31 3gd0A1 LEU 133 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.75 3gd0A1 VAL 134 H -0.18 0.64 0.37 -0.55 8.24 8.52 3gd0A1 VAL 134 HA -0.07 0.06 0.75 -0.75 4.13 4.12 3gd0A1 VAL 134 HB -0.10 -0.07 0.10 -0.04 2.12 2.00 3gd0A1 VAL 134 HG13 -0.06 0.04 -0.14 -0.04 0.97 0.77 3gd0A1 VAL 134 HG23 -0.09 -0.01 -0.10 -0.04 0.95 0.72 3gd0A1 GLN 135 H -0.05 0.09 0.10 -0.55 8.47 8.07 3gd0A1 GLN 135 HA -0.04 0.11 0.50 -0.75 4.36 4.18 3gd0A1 GLN 135 HB2 -0.05 -0.03 0.00 -0.04 2.15 2.04 3gd0A1 GLN 135 HB3 -0.11 0.05 0.04 -0.04 2.02 1.96 3gd0A1 GLN 135 HG2 -0.04 -0.01 0.05 -0.04 2.40 2.36 3gd0A1 GLN 135 HG3 -0.04 -0.02 0.00 -0.04 2.39 2.29 3gd0A1 GLN 135 HE21 -0.10 0.00 -0.06 -0.04 6.97 6.78 3gd0A1 GLN 135 HE22 -0.07 -0.03 -0.04 -0.04 7.69 7.52 3gd0A1 PRO 136 HA -0.11 0.05 0.46 -0.51 4.44 4.34 3gd0A1 PRO 136 HB2 0.12 -0.02 -0.10 -0.04 2.28 2.24 3gd0A1 PRO 136 HB3 -0.16 0.00 0.02 -0.04 2.02 1.84 3gd0A1 PRO 136 HG2 -0.04 0.03 -0.01 -0.04 2.03 1.98 3gd0A1 PRO 136 HG3 -0.35 0.09 0.03 -0.04 2.03 1.75 3gd0A1 PRO 136 HD2 -0.10 0.06 0.15 -0.04 3.68 3.74 3gd0A1 PRO 136 HD3 0.05 0.20 0.19 -0.04 3.65 4.05 3gd0A1 ALA 137 H -0.04 0.14 -0.02 -0.55 8.40 7.93 3gd0A1 ALA 137 HA -0.07 0.16 0.74 -0.75 4.34 4.42 3gd0A1 ALA 137 HB3 -0.05 0.03 0.04 -0.04 1.41 1.40 3gd0A1 VAL 138 H 0.05 0.23 -0.09 -0.55 8.24 7.88 3gd0A1 VAL 138 HA 0.02 0.14 0.33 -0.75 4.13 3.87 3gd0A1 VAL 138 HB 0.10 0.12 0.06 -0.04 2.12 2.36 3gd0A1 VAL 138 HG13 0.28 -0.01 -0.23 -0.04 0.97 0.97 3gd0A1 VAL 138 HG23 0.10 0.02 -0.15 -0.04 0.95 0.88 3gd0A1 GLN 139 H -0.13 -0.01 -0.43 -0.55 8.47 7.36 3gd0A1 GLN 139 HA -0.01 0.16 0.61 -0.75 4.36 4.37 3gd0A1 GLN 139 HB2 0.04 0.07 0.09 -0.04 2.15 2.31 3gd0A1 GLN 139 HB3 -0.23 -0.06 0.06 -0.04 2.02 1.75 3gd0A1 GLN 139 HG2 -0.01 0.08 -0.43 -0.04 2.40 2.01 3gd0A1 GLN 139 HG3 0.11 -0.02 -0.07 -0.04 2.39 2.37 3gd0A1 GLN 139 HE21 -0.05 0.00 -0.03 -0.04 6.97 6.85 3gd0A1 GLN 139 HE22 0.07 0.01 -0.06 -0.04 7.69 7.67 3gd0A1 ASN 140 H -0.03 0.38 -0.20 -0.55 8.53 8.13 3gd0A1 ASN 140 HA -0.00 0.21 0.76 -0.75 4.76 4.97 3gd0A1 ASN 140 HB2 -0.02 0.08 0.19 -0.04 2.88 3.09 3gd0A1 ASN 140 HB3 -0.01 -0.10 0.01 -0.04 2.79 2.65 3gd0A1 ASN 140 HD21 -0.01 -0.02 -0.00 -0.04 7.03 6.96 3gd0A1 ASN 140 HD22 -0.02 0.00 0.06 -0.04 7.74 7.74 3gd0A1 PRO 141 HA 0.01 0.13 0.36 -0.51 4.44 4.43 3gd0A1 PRO 141 HB2 -0.00 -0.02 0.00 -0.04 2.28 2.22 3gd0A1 PRO 141 HB3 0.00 0.03 0.09 -0.04 2.02 2.10 3gd0A1 PRO 141 HG2 0.00 0.01 0.10 -0.04 2.03 2.10 3gd0A1 PRO 141 HG3 0.01 0.10 0.09 -0.04 2.03 2.19 3gd0A1 PRO 141 HD2 0.00 0.01 0.23 -0.04 3.68 3.89 3gd0A1 PRO 141 HD3 0.01 0.42 0.30 -0.04 3.65 4.33 3gd0A1 THR 142 H -0.01 0.04 -0.39 -0.55 8.28 7.37 3gd0A1 THR 142 HA -0.02 0.21 0.63 -0.75 4.39 4.46 3gd0A1 THR 142 HB -0.02 0.00 0.09 -0.04 4.32 4.34 3gd0A1 THR 142 HG23 -0.01 -0.00 -0.06 -0.04 1.22 1.10 3gd0A1 ASP 143 H -0.02 0.51 -0.33 -0.55 8.40 8.01 3gd0A1 ASP 143 HA -0.05 0.07 0.40 -0.75 4.63 4.30 3gd0A1 ASP 143 HB2 -0.02 0.22 0.08 -0.04 2.71 2.94 3gd0A1 ASP 143 HB3 -0.01 -0.01 -0.02 -0.04 2.70 2.62 3gd0A1 PRO 144 HA -0.07 0.14 0.35 -0.51 4.44 4.36 3gd0A1 PRO 144 HB2 -0.16 -0.00 0.02 -0.04 2.28 2.10 3gd0A1 PRO 144 HB3 -0.10 0.05 0.09 -0.04 2.02 2.02 3gd0A1 PRO 144 HG2 -0.21 0.07 0.03 -0.04 2.03 1.88 3gd0A1 PRO 144 HG3 -0.14 0.05 -0.01 -0.04 2.03 1.89 3gd0A1 PRO 144 HD2 -0.11 -0.00 0.18 -0.04 3.68 3.71 3gd0A1 PRO 144 HD3 -0.09 0.20 0.19 -0.04 3.65 3.91 3gd0A1 ASN 145 H -0.12 0.06 -0.40 -0.55 8.53 7.52 3gd0A1 ASN 145 HA -0.12 0.22 0.83 -0.75 4.76 4.93 3gd0A1 ASN 145 HB2 -0.21 -0.04 -0.04 -0.04 2.88 2.55 3gd0A1 ASN 145 HB3 -0.38 0.05 0.08 -0.04 2.79 2.49 3gd0A1 ASN 145 HD21 -0.66 0.60 0.09 -0.04 7.03 7.02 3gd0A1 ASN 145 HD22 -0.41 -0.11 -0.00 -0.04 7.74 7.18 3gd0A1 ARG 146 H -0.01 0.52 -0.39 -0.55 8.46 8.02 3gd0A1 ARG 146 HA 0.09 0.01 0.28 -0.75 4.34 3.97 3gd0A1 ARG 146 HB2 0.02 0.02 0.06 -0.04 1.90 1.96 3gd0A1 ARG 146 HB3 0.01 0.06 0.05 -0.04 1.80 1.88 3gd0A1 ARG 146 HG2 0.02 0.08 -0.01 -0.04 1.67 1.71 3gd0A1 ARG 146 HG3 0.03 -0.07 -0.32 -0.04 1.67 1.27 3gd0A1 ARG 146 HD2 0.05 -0.05 0.04 -0.04 3.22 3.21 3gd0A1 ARG 146 HD3 0.03 0.13 -0.05 -0.04 3.22 3.29 3gd0A1 ASP 147 H 0.03 0.11 -0.33 -0.55 8.40 7.67 3gd0A1 ASP 147 HA 0.05 0.18 0.58 -0.75 4.63 4.69 3gd0A1 ASP 147 HB2 0.02 0.02 -0.01 -0.04 2.71 2.70 3gd0A1 ASP 147 HB3 0.03 -0.05 0.12 -0.04 2.70 2.76 3gd0A1 ILE 148 H 0.13 0.40 -0.45 -0.55 8.25 7.77 3gd0A1 ILE 148 HA 0.12 0.06 0.68 -0.75 4.18 4.28 3gd0A1 ILE 148 HB 0.14 0.07 0.03 -0.04 1.89 2.09 3gd0A1 ILE 148 HG12 0.03 -0.00 -0.12 -0.04 1.49 1.35 3gd0A1 ILE 148 HG13 0.01 -0.11 -0.12 -0.04 1.21 0.95 3gd0A1 ILE 148 HG23 0.16 -0.01 -0.28 -0.04 0.93 0.75 3gd0A1 ILE 148 HD13 -0.12 -0.00 -0.12 -0.04 0.88 0.60 3gd0A1 LEU 149 H 0.18 0.15 0.21 -0.55 8.37 8.37 3gd0A1 LEU 149 HA 0.15 0.16 0.82 -0.75 4.35 4.73 3gd0A1 LEU 149 HB2 0.09 0.04 0.18 -0.04 1.64 1.92 3gd0A1 LEU 149 HB3 0.21 -0.05 0.33 -0.04 1.64 2.09 3gd0A1 LEU 149 HG 0.30 -0.04 -0.09 -0.04 1.64 1.77 3gd0A1 LEU 149 HD13 0.20 0.01 0.15 -0.04 0.93 1.24 3gd0A1 LEU 149 HD23 -0.27 -0.01 0.06 -0.04 0.89 0.63 3gd0A1 PHE 150 H -0.06 0.35 0.27 -0.55 8.34 8.34 3gd0A1 PHE 150 HA 0.05 0.19 0.94 -0.75 4.62 5.04 3gd0A1 PHE 150 HB2 0.10 0.10 0.07 -0.04 3.15 3.38 3gd0A1 PHE 150 HB3 0.09 -0.06 -0.31 -0.04 3.06 2.74 3gd0A1 PHE 150 HD2 0.24 0.10 -0.26 -0.04 7.28 7.32 3gd0A1 PHE 150 HE2 0.37 0.06 -0.12 -0.04 7.38 7.65 3gd0A1 PHE 150 HZ 0.18 -0.12 -0.13 -0.04 7.32 7.21 3gd0A1 ASN 151 H -0.45 0.58 0.42 -0.55 8.53 8.53 3gd0A1 ASN 151 HA -0.22 0.07 0.44 -0.75 4.76 4.30 3gd0A1 ASN 151 HB2 -0.30 -0.01 -0.18 -0.04 2.88 2.35 3gd0A1 ASN 151 HB3 -0.48 0.01 -0.01 -0.04 2.79 2.27 3gd0A1 ASN 151 HD21 -0.14 -0.11 -0.03 -0.04 7.03 6.71 3gd0A1 ASN 151 HD22 0.01 0.53 -0.31 -0.04 7.74 7.93 3gd0A1 TRP 152 H -0.46 0.27 0.24 -0.55 7.97 7.47 3gd0A1 TRP 152 HA -0.17 0.30 0.79 -0.75 4.62 4.78 3gd0A1 TRP 152 HB2 -0.52 0.06 -0.06 -0.04 3.23 2.66 3gd0A1 TRP 152 HB3 -0.69 -0.02 -0.14 -0.04 3.23 2.34 3gd0A1 TRP 152 HD1 -0.08 0.04 -0.58 -0.04 7.22 6.56 3gd0A1 TRP 152 HE1 0.00 -0.04 -0.13 -0.04 10.20 9.99 3gd0A1 TRP 152 HE3 0.34 -0.01 -0.24 -0.04 7.59 7.64 3gd0A1 TRP 152 HZ2 0.06 -0.05 -0.06 -0.04 7.44 7.35 3gd0A1 TRP 152 HZ3 0.29 0.02 -0.12 -0.04 7.13 7.27 3gd0A1 TRP 152 HH2 0.09 -0.03 -0.09 -0.04 7.19 7.13 3gd0A1 SER 153 H 0.11 0.58 0.35 -0.55 8.46 8.96 3gd0A1 SER 153 HA 0.15 0.10 0.85 -0.75 4.49 4.84 3gd0A1 SER 153 HB2 -0.08 0.03 0.12 -0.04 3.95 3.98 3gd0A1 SER 153 HB3 0.07 -0.05 0.18 -0.04 3.93 4.09 3gd0A1 GLU 154 H 0.27 0.13 0.16 -0.55 8.60 8.62 3gd0A1 GLU 154 HA 0.27 0.29 1.05 -0.75 4.29 5.15 3gd0A1 GLU 154 HB2 0.18 -0.08 0.10 -0.04 2.09 2.25 3gd0A1 GLU 154 HB3 0.14 0.08 0.04 -0.04 1.99 2.21 3gd0A1 GLU 154 HG2 0.29 0.08 -0.08 -0.04 2.34 2.60 3gd0A1 GLU 154 HG3 0.53 -0.09 -0.20 -0.04 2.34 2.53 3gd0A1 TYR 155 H 0.14 0.65 0.36 -0.55 8.29 8.89 3gd0A1 TYR 155 HA 0.22 0.22 0.90 -0.75 4.56 5.15 3gd0A1 TYR 155 HB2 0.20 0.14 0.14 -0.04 3.06 3.50 3gd0A1 TYR 155 HB3 0.18 -0.09 -0.21 -0.04 2.98 2.81 3gd0A1 TYR 155 HD2 0.18 -0.00 -0.30 -0.04 7.15 6.99 3gd0A1 TYR 155 HE2 0.22 0.08 -0.30 -0.04 6.85 6.81 3gd0A1 THR 156 H 0.41 0.59 0.39 -0.55 8.28 9.12 3gd0A1 THR 156 HA -0.04 0.23 0.86 -0.75 4.39 4.68 3gd0A1 THR 156 HB 0.18 -0.07 0.11 -0.04 4.32 4.51 3gd0A1 THR 156 HG23 0.03 -0.00 -0.18 -0.04 1.22 1.03 3gd0A1 LEU 157 H 0.22 0.71 0.33 -0.55 8.37 9.08 3gd0A1 LEU 157 HA 0.32 0.32 1.00 -0.75 4.35 5.23 3gd0A1 LEU 157 HB2 0.32 -0.07 -0.04 -0.04 1.64 1.82 3gd0A1 LEU 157 HB3 0.29 0.09 0.16 -0.04 1.64 2.15 3gd0A1 LEU 157 HG 0.15 0.01 -0.29 -0.04 1.64 1.47 3gd0A1 LEU 157 HD13 0.11 0.03 -0.19 -0.04 0.93 0.84 3gd0A1 LEU 157 HD23 0.10 -0.01 -0.40 -0.04 0.89 0.54 3gd0A1 ASN 158 H 0.29 0.68 0.23 -0.55 8.53 9.19 3gd0A1 ASN 158 HA 0.12 0.14 0.56 -0.75 4.76 4.83 3gd0A1 ASN 158 HB2 0.10 -0.11 0.19 -0.04 2.88 3.02 3gd0A1 ASN 158 HB3 0.11 0.10 -0.13 -0.04 2.79 2.82 3gd0A1 ASN 158 HD21 0.03 0.02 -0.13 -0.04 7.03 6.91 3gd0A1 ASN 158 HD22 0.02 0.03 -0.11 -0.04 7.74 7.64 3gd0A1 ASP 159 H 0.10 0.12 0.14 -0.55 8.40 8.21 3gd0A1 ASP 159 HA 0.07 0.24 0.42 -0.75 4.63 4.61 3gd0A1 ASP 159 HB2 0.07 -0.06 0.10 -0.04 2.71 2.77 3gd0A1 ASP 159 HB3 0.06 0.05 0.11 -0.04 2.70 2.87 3gd0A1 SER 160 H 0.22 -0.05 -0.41 -0.55 8.46 7.68 3gd0A1 SER 160 HA 0.12 0.23 0.79 -0.75 4.49 4.87 3gd0A1 SER 160 HB2 0.47 -0.03 -0.05 -0.04 3.95 4.30 3gd0A1 SER 160 HB3 0.33 -0.01 0.11 -0.04 3.93 4.32 3gd0A1 GLY 161 H 0.15 0.37 -0.23 -0.55 8.43 8.18 3gd0A1 GLY 161 HA2 -0.03 0.09 0.19 -0.51 4.01 3.74 3gd0A1 GLY 161 HA3 -0.21 0.22 0.95 -0.51 4.01 4.46 3gd0A1 LEU 162 H -0.32 0.54 0.37 -0.55 8.37 8.42 3gd0A1 LEU 162 HA 0.27 0.39 1.18 -0.75 4.35 5.43 3gd0A1 LEU 162 HB2 0.05 0.04 -0.04 -0.04 1.64 1.65 3gd0A1 LEU 162 HB3 -0.07 -0.12 0.12 -0.04 1.64 1.54 3gd0A1 LEU 162 HG 0.15 -0.03 -0.44 -0.04 1.64 1.28 3gd0A1 LEU 162 HD13 0.25 0.06 -0.11 -0.04 0.93 1.08 3gd0A1 LEU 162 HD23 0.03 -0.02 -0.12 -0.04 0.89 0.73 3gd0A1 TRP 163 H 0.64 0.67 0.40 -0.55 7.97 9.14 3gd0A1 TRP 163 HA 0.23 0.24 0.87 -0.75 4.62 5.21 3gd0A1 TRP 163 HB2 0.14 -0.08 0.16 -0.04 3.23 3.41 3gd0A1 TRP 163 HB3 0.14 -0.00 -0.02 -0.04 3.23 3.32 3gd0A1 TRP 163 HD1 0.03 -0.01 -0.09 -0.04 7.22 7.11 3gd0A1 TRP 163 HE1 -0.38 -0.02 -0.10 -0.04 10.20 9.66 3gd0A1 TRP 163 HE3 0.15 0.16 -0.21 -0.04 7.59 7.65 3gd0A1 TRP 163 HZ2 -0.19 -0.02 -0.12 -0.04 7.44 7.07 3gd0A1 TRP 163 HZ3 0.11 -0.05 -0.39 -0.04 7.13 6.76 3gd0A1 TRP 163 HH2 0.08 -0.04 -0.22 -0.04 7.19 6.96 3gd0A1 ILE 164 H 0.28 0.65 0.29 -0.55 8.25 8.92 3gd0A1 ILE 164 HA 0.33 0.25 0.90 -0.75 4.18 4.90 3gd0A1 ILE 164 HB 0.21 0.02 -0.14 -0.04 1.89 1.94 3gd0A1 ILE 164 HG12 0.19 0.02 -0.09 -0.04 1.49 1.57 3gd0A1 ILE 164 HG13 0.24 0.03 0.02 -0.04 1.21 1.46 3gd0A1 ILE 164 HG23 0.12 0.01 -0.13 -0.04 0.93 0.89 3gd0A1 ILE 164 HD13 0.04 -0.00 -0.04 -0.04 0.88 0.84 3gd0A1 ASN 165 H 0.27 0.46 0.31 -0.55 8.53 9.03 3gd0A1 ASN 165 HA 0.22 0.21 1.20 -0.75 4.76 5.65 3gd0A1 ASN 165 HB2 0.34 0.17 0.12 -0.04 2.88 3.46 3gd0A1 ASN 165 HB3 0.29 -0.05 -0.12 -0.04 2.79 2.87 3gd0A1 ASN 165 HD21 0.02 -0.06 -0.05 -0.04 7.03 6.89 3gd0A1 ASN 165 HD22 0.05 0.02 -0.08 -0.04 7.74 7.68 3gd0A1 SER 166 H 0.18 0.71 0.32 -0.55 8.46 9.12 3gd0A1 SER 166 HA 0.19 0.15 0.74 -0.75 4.49 4.81 3gd0A1 SER 166 HB2 -0.12 0.07 0.12 -0.04 3.95 3.98 3gd0A1 SER 166 HB3 -0.00 -0.04 0.16 -0.04 3.93 4.01 3gd0A1 THR 167 H 0.09 0.34 0.21 -0.55 8.28 8.37 3gd0A1 THR 167 HA 0.13 0.12 1.16 -0.75 4.39 5.06 3gd0A1 THR 167 HB 0.01 0.04 -0.06 -0.04 4.32 4.26 3gd0A1 THR 167 HG23 -0.12 0.02 0.06 -0.04 1.22 1.14 3gd0A1 GLN 168 H 0.10 0.38 0.27 -0.55 8.47 8.68 3gd0A1 GLN 168 HA 0.01 0.40 0.82 -0.75 4.36 4.84 3gd0A1 GLN 168 HB2 0.09 0.00 -0.03 -0.04 2.15 2.18 3gd0A1 GLN 168 HB3 0.15 0.01 0.09 -0.04 2.02 2.23 3gd0A1 GLN 168 HG2 0.13 0.00 -0.03 -0.04 2.40 2.46 3gd0A1 GLN 168 HG3 -0.03 0.16 -0.03 -0.04 2.39 2.45 3gd0A1 GLN 168 HE21 -0.08 -0.01 -0.28 -0.04 6.97 6.55 3gd0A1 GLN 168 HE22 -0.17 0.15 -0.22 -0.04 7.69 7.41 3gd0A1 VAL 169 H 0.06 0.02 0.04 -0.55 8.24 7.81 3gd0A1 VAL 169 HA 0.19 0.13 0.12 -0.75 4.13 3.81 3gd0A1 VAL 169 HB 0.07 -0.02 0.05 -0.04 2.12 2.17 3gd0A1 VAL 169 HG13 0.06 -0.01 -0.11 -0.04 0.97 0.87 3gd0A1 VAL 169 HG23 -0.02 -0.03 -0.20 -0.04 0.95 0.67 3gd0A1 ASP 170 H 0.13 0.03 -0.18 -0.55 8.40 7.83 3gd0A1 ASP 170 HA 0.38 0.13 0.85 -0.75 4.63 5.23 3gd0A1 ASP 170 HB2 0.33 0.02 0.01 -0.04 2.71 3.03 3gd0A1 ASP 170 HB3 0.24 -0.02 -0.03 -0.04 2.70 2.85 3gd0A1 MET 171 H 0.07 0.14 -0.07 -0.55 8.47 8.06 3gd0A1 MET 171 HA 0.18 0.14 0.63 -0.75 4.52 4.71 3gd0A1 MET 171 HB2 0.07 0.08 -0.04 -0.04 2.15 2.22 3gd0A1 MET 171 HB3 0.06 0.01 -0.30 -0.04 2.03 1.77 3gd0A1 MET 171 HG2 -0.16 -0.15 -0.15 -0.04 2.63 2.13 3gd0A1 MET 171 HG3 -0.14 0.02 -0.40 -0.04 2.56 2.01 3gd0A1 MET 171 HE3 -0.46 0.04 -0.02 -0.04 2.10 1.61 3gd0A1 PHE 172 H 0.28 0.71 0.29 -0.55 8.34 9.06 3gd0A1 PHE 172 HA -0.05 0.14 0.92 -0.75 4.62 4.87 3gd0A1 PHE 172 HB2 -0.19 0.01 0.02 -0.04 3.15 2.94 3gd0A1 PHE 172 HB3 -0.18 -0.05 0.21 -0.04 3.06 3.00 3gd0A1 PHE 172 HD2 -0.53 -0.05 -0.05 -0.04 7.28 6.61 3gd0A1 PHE 172 HE2 -0.48 0.02 -0.02 -0.04 7.38 6.86 3gd0A1 PHE 172 HZ -0.13 -0.02 -0.04 -0.04 7.32 7.09 3gd0A1 SER 173 H -0.32 0.25 0.08 -0.55 8.46 7.93 3gd0A1 SER 173 HA 0.20 0.17 0.71 -0.75 4.49 4.81 3gd0A1 SER 173 HB2 -0.03 -0.09 -0.19 -0.04 3.95 3.60 3gd0A1 SER 173 HB3 -0.15 0.08 0.09 -0.04 3.93 3.91 3gd0A1 ALA 174 H 0.05 0.17 0.12 -0.55 8.40 8.19 3gd0A1 ALA 174 HA -0.47 0.03 0.23 -0.75 4.34 3.39 3gd0A1 ALA 174 HB3 0.33 -0.01 -0.03 -0.04 1.41 1.66 3gd0A1 PRO 175 HA -0.19 0.14 0.37 -0.51 4.44 4.25 3gd0A1 PRO 175 HB2 -0.21 -0.05 0.01 -0.04 2.28 1.99 3gd0A1 PRO 175 HB3 -0.25 0.01 0.11 -0.04 2.02 1.84 3gd0A1 PRO 175 HG2 -0.58 0.13 -0.21 -0.04 2.03 1.34 3gd0A1 PRO 175 HG3 -0.85 -0.03 -0.05 -0.04 2.03 1.06 3gd0A1 PRO 175 HD2 -1.74 0.07 0.09 -0.04 3.68 2.06 3gd0A1 PRO 175 HD3 -1.57 0.10 0.02 -0.04 3.65 2.16 3gd0A1 TYR 176 H -0.30 0.31 0.31 -0.55 8.29 8.06 3gd0A1 TYR 176 HA -0.08 0.10 0.75 -0.75 4.56 4.58 3gd0A1 TYR 176 HB2 -0.08 0.03 0.07 -0.04 3.06 3.04 3gd0A1 TYR 176 HB3 0.02 0.09 -0.15 -0.04 2.98 2.90 3gd0A1 TYR 176 HD2 0.15 0.13 -0.25 -0.04 7.15 7.13 3gd0A1 TYR 176 HE2 -0.04 0.09 0.13 -0.04 6.85 6.99 3gd0A1 THR 177 H 0.10 0.53 0.36 -0.55 8.28 8.72 3gd0A1 THR 177 HA -0.02 0.20 0.93 -0.75 4.39 4.74 3gd0A1 THR 177 HB 0.02 -0.05 0.05 -0.04 4.32 4.29 3gd0A1 THR 177 HG23 0.01 0.00 -0.17 -0.04 1.22 1.02 3gd0A1 VAL 178 H 0.08 0.55 0.34 -0.55 8.24 8.67 3gd0A1 VAL 178 HA 0.10 0.32 1.13 -0.75 4.13 4.92 3gd0A1 VAL 178 HB 0.13 0.03 0.06 -0.04 2.12 2.30 3gd0A1 VAL 178 HG13 0.29 0.01 -0.07 -0.04 0.97 1.16 3gd0A1 VAL 178 HG23 0.15 -0.02 -0.31 -0.04 0.95 0.73 3gd0A1 GLY 179 H 0.05 0.54 0.39 -0.55 8.43 8.86 3gd0A1 GLY 179 HA2 0.04 0.20 0.97 -0.51 4.01 4.71 3gd0A1 GLY 179 HA3 0.02 -0.01 0.33 -0.51 4.01 3.84 3gd0A1 VAL 180 H 0.01 0.62 0.37 -0.55 8.24 8.69 3gd0A1 VAL 180 HA -0.01 0.23 0.94 -0.75 4.13 4.54 3gd0A1 VAL 180 HB -0.01 0.04 -0.13 -0.04 2.12 1.98 3gd0A1 VAL 180 HG13 -0.04 -0.02 -0.15 -0.04 0.97 0.72 3gd0A1 VAL 180 HG23 -0.07 0.01 -0.17 -0.04 0.95 0.67 3gd0A1 ARG 181 H -0.02 0.66 0.17 -0.55 8.46 8.71 3gd0A1 ARG 181 HA -0.02 0.21 0.92 -0.75 4.34 4.69 3gd0A1 ARG 181 HB2 -0.02 -0.02 -0.05 -0.04 1.90 1.77 3gd0A1 ARG 181 HB3 -0.02 -0.09 0.12 -0.04 1.80 1.76 3gd0A1 ARG 181 HG2 -0.02 0.00 -0.15 -0.04 1.67 1.47 3gd0A1 ARG 181 HG3 -0.02 0.14 -0.11 -0.04 1.67 1.64 3gd0A1 ARG 181 HD2 -0.01 -0.05 -0.08 -0.04 3.22 3.03 3gd0A1 ARG 181 HD3 -0.02 -0.01 -0.07 -0.04 3.22 3.08 3gd0A1 ARG 182 H -0.04 0.77 0.14 -0.55 8.46 8.78 3gd0A1 ARG 182 HA -0.08 0.03 0.31 -0.75 4.34 3.85 3gd0A1 ARG 182 HB2 -0.05 -0.06 0.02 -0.04 1.90 1.77 3gd0A1 ARG 182 HB3 -0.07 -0.11 0.10 -0.04 1.80 1.68 3gd0A1 ARG 182 HG2 -0.09 -0.02 -0.15 -0.04 1.67 1.37 3gd0A1 ARG 182 HG3 -0.05 0.17 -0.14 -0.04 1.67 1.61 3gd0A1 ARG 182 HD2 -0.08 -0.08 0.03 -0.04 3.22 3.05 3gd0A1 ARG 182 HD3 -0.08 0.11 -0.02 -0.04 3.22 3.20 3gd0A1 GLY 183 H -0.07 0.03 0.08 -0.55 8.43 7.92 3gd0A1 GLY 183 HA2 -0.04 0.22 0.46 -0.51 4.01 4.14 3gd0A1 GLY 183 HA3 -0.04 0.01 0.39 -0.51 4.01 3.86 3gd0A1 ASP 184 H -0.04 -0.01 -0.22 -0.55 8.40 7.58 3gd0A1 ASP 184 HA -0.02 0.22 0.57 -0.75 4.63 4.65 3gd0A1 ASP 184 HB2 -0.02 0.04 0.16 -0.04 2.71 2.85 3gd0A1 ASP 184 HB3 -0.02 0.01 0.06 -0.04 2.70 2.70 3gd0A1 GLY 185 H -0.03 0.55 -0.58 -0.55 8.43 7.83 3gd0A1 GLY 185 HA2 -0.02 0.07 0.26 -0.51 4.01 3.80 3gd0A1 GLY 185 HA3 -0.02 0.10 0.55 -0.51 4.01 4.13 3gd0A1 THR 186 H -0.02 -0.04 -0.43 -0.55 8.28 7.23 3gd0A1 THR 186 HA -0.01 0.12 0.47 -0.75 4.39 4.21 3gd0A1 THR 186 HB -0.01 0.07 0.10 -0.04 4.32 4.43 3gd0A1 THR 186 HG23 -0.01 0.02 -0.03 -0.04 1.22 1.16 3gd0A1 THR 187 H -0.01 0.16 0.21 -0.55 8.28 8.09 3gd0A1 THR 187 HA -0.02 0.30 1.15 -0.75 4.39 5.07 3gd0A1 THR 187 HB -0.01 0.02 -0.02 -0.04 4.32 4.27 3gd0A1 THR 187 HG23 -0.01 0.02 -0.11 -0.04 1.22 1.07 3gd0A1 LEU 188 H -0.01 0.56 0.36 -0.55 8.37 8.74 3gd0A1 LEU 188 HA 0.00 0.16 0.72 -0.75 4.35 4.48 3gd0A1 LEU 188 HB2 0.00 -0.09 0.10 -0.04 1.64 1.62 3gd0A1 LEU 188 HB3 0.01 0.07 0.11 -0.04 1.64 1.79 3gd0A1 LEU 188 HG -0.02 -0.07 -0.25 -0.04 1.64 1.25 3gd0A1 LEU 188 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 3gd0A1 LEU 188 HD23 -0.00 0.07 0.05 -0.04 0.89 0.97 3gd0A1 SER 189 H 0.01 0.26 0.19 -0.55 8.46 8.37 3gd0A1 SER 189 HA 0.03 0.24 0.78 -0.75 4.49 4.78 3gd0A1 SER 189 HB2 0.02 0.09 0.04 -0.04 3.95 4.06 3gd0A1 SER 189 HB3 0.01 -0.04 -0.12 -0.04 3.93 3.74 3gd0A1 THR 190 H 0.04 0.68 0.37 -0.55 8.28 8.82 3gd0A1 THR 190 HA 0.02 0.06 0.59 -0.75 4.39 4.30 3gd0A1 THR 190 HB 0.04 0.16 -0.28 -0.04 4.32 4.20 3gd0A1 THR 190 HG23 0.07 -0.01 -0.41 -0.04 1.22 0.83 3gd0A1 GLY 191 H -0.02 0.19 0.16 -0.55 8.43 8.21 3gd0A1 GLY 191 HA2 -0.10 0.03 0.38 -0.51 4.01 3.81 3gd0A1 GLY 191 HA3 -0.13 0.20 0.84 -0.51 4.01 4.42 3gd0A1 LYS 192 H -0.03 -0.01 -0.13 -0.55 8.42 7.70 3gd0A1 LYS 192 HA -0.05 0.10 0.38 -0.75 4.32 3.99 3gd0A1 LYS 192 HB2 -0.01 -0.02 -0.03 -0.04 1.87 1.77 3gd0A1 LYS 192 HB3 -0.01 -0.06 0.06 -0.04 1.79 1.74 3gd0A1 LYS 192 HG2 -0.00 0.18 -0.22 -0.04 1.46 1.38 3gd0A1 LYS 192 HG3 -0.01 -0.01 -0.02 -0.04 1.46 1.38 3gd0A1 LYS 192 HD2 0.00 -0.03 -0.07 -0.04 1.69 1.55 3gd0A1 LYS 192 HD3 0.00 0.02 -0.06 -0.04 1.68 1.60 3gd0A1 LYS 192 HE2 -0.00 -0.04 -0.09 -0.04 2.99 2.81 3gd0A1 LYS 192 HE3 -0.00 0.00 -0.08 -0.04 2.99 2.87 3gd0A1 LEU 193 H -0.03 0.12 0.23 -0.55 8.37 8.15 3gd0A1 LEU 193 HA 0.04 0.13 0.81 -0.75 4.35 4.57 3gd0A1 LEU 193 HB2 0.04 -0.09 0.14 -0.04 1.64 1.69 3gd0A1 LEU 193 HB3 0.10 0.03 0.10 -0.04 1.64 1.83 3gd0A1 LEU 193 HG 0.01 0.06 0.07 -0.04 1.64 1.74 3gd0A1 LEU 193 HD13 0.15 -0.03 -0.05 -0.04 0.93 0.96 3gd0A1 LEU 193 HD23 0.19 0.02 -0.13 -0.04 0.89 0.92 3gd0A1 ARG 194 H 0.06 0.70 0.30 -0.55 8.46 8.97 3gd0A1 ARG 194 HA 0.03 0.06 0.54 -0.75 4.34 4.21 3gd0A1 ARG 194 HB2 0.07 -0.00 0.03 -0.04 1.90 1.96 3gd0A1 ARG 194 HB3 0.03 0.05 0.06 -0.04 1.80 1.90 3gd0A1 ARG 194 HG2 0.01 -0.05 -0.03 -0.04 1.67 1.56 3gd0A1 ARG 194 HG3 0.02 -0.00 -0.43 -0.04 1.67 1.21 3gd0A1 ARG 194 HD2 -0.03 0.15 -0.10 -0.04 3.22 3.20 3gd0A1 ARG 194 HD3 -0.04 0.01 -0.01 -0.04 3.22 3.13 3gd0A1 PRO 195 HA 0.05 -0.03 0.54 -0.51 4.44 4.49 3gd0A1 PRO 195 HB2 0.03 0.04 0.04 -0.04 2.28 2.36 3gd0A1 PRO 195 HB3 0.03 0.01 0.10 -0.04 2.02 2.13 3gd0A1 PRO 195 HG2 0.02 0.05 0.10 -0.04 2.03 2.15 3gd0A1 PRO 195 HG3 0.02 0.04 0.10 -0.04 2.03 2.16 3gd0A1 PRO 195 HD2 0.02 0.13 0.21 -0.04 3.68 4.01 3gd0A1 PRO 195 HD3 0.02 0.15 0.22 -0.04 3.65 4.00 3gd0A1 GLY 196 H 0.07 0.04 0.21 -0.55 8.43 8.20 3gd0A1 GLY 196 HA2 0.09 -0.01 0.38 -0.51 4.01 3.96 3gd0A1 GLY 196 HA3 0.07 0.18 0.50 -0.51 4.01 4.25 3gd0A1 GLY 197 H 0.11 0.52 -0.32 -0.55 8.43 8.19 3gd0A1 GLY 197 HA2 0.17 0.10 0.28 -0.51 4.01 4.05 3gd0A1 GLY 197 HA3 0.14 0.18 0.28 -0.51 4.01 4.11 3gd0A1 TYR 198 H 0.22 -0.12 -0.15 -0.55 8.29 7.70 3gd0A1 TYR 198 HA 0.28 0.13 0.40 -0.75 4.56 4.61 3gd0A1 TYR 198 HB2 0.01 0.01 0.09 -0.04 3.06 3.13 3gd0A1 TYR 198 HB3 0.10 0.01 -0.11 -0.04 2.98 2.94 3gd0A1 TYR 198 HD2 0.01 0.03 -0.14 -0.04 7.15 7.01 3gd0A1 TYR 198 HE2 -0.07 0.12 -0.20 -0.04 6.85 6.66 3gd0A1 ASN 199 H 0.22 0.64 -0.14 -0.55 8.53 8.71 3gd0A1 ASN 199 HA 0.14 0.03 0.48 -0.75 4.76 4.65 3gd0A1 ASN 199 HB2 0.10 0.10 0.09 -0.04 2.88 3.13 3gd0A1 ASN 199 HB3 0.07 -0.05 0.04 -0.04 2.79 2.81 3gd0A1 ASN 199 HD21 0.17 0.07 0.07 -0.04 7.03 7.31 3gd0A1 ASN 199 HD22 0.14 0.03 0.08 -0.04 7.74 7.95 3gd0A1 GLY 200 H -0.01 0.37 -0.37 -0.55 8.43 7.88 3gd0A1 GLY 200 HA2 -0.07 -0.02 0.30 -0.51 4.01 3.71 3gd0A1 GLY 200 HA3 -0.21 0.11 0.25 -0.51 4.01 3.66 3gd0A1 VAL 201 H -0.44 0.58 -0.19 -0.55 8.24 7.64 3gd0A1 VAL 201 HA -0.62 0.03 0.42 -0.75 4.13 3.20 3gd0A1 VAL 201 HB -0.84 0.14 0.14 -0.04 2.12 1.51 3gd0A1 VAL 201 HG13 -1.48 -0.03 -0.16 -0.04 0.97 -0.74 3gd0A1 VAL 201 HG23 -0.62 0.05 -0.03 -0.04 0.95 0.31 3gd0A1 PHE 202 H -0.12 0.39 -0.18 -0.55 8.34 7.87 3gd0A1 PHE 202 HA -0.16 0.01 0.37 -0.75 4.62 4.10 3gd0A1 PHE 202 HB2 -0.13 0.09 0.13 -0.04 3.15 3.20 3gd0A1 PHE 202 HB3 -0.07 -0.03 -0.03 -0.04 3.06 2.89 3gd0A1 PHE 202 HD2 -0.22 0.10 -0.05 -0.04 7.28 7.08 3gd0A1 PHE 202 HE2 -0.48 0.02 -0.32 -0.04 7.38 6.56 3gd0A1 PHE 202 HZ 0.09 0.07 -0.18 -0.04 7.32 7.26 3gd0A1 ASN 203 H -0.00 0.61 -0.15 -0.55 8.53 8.44 3gd0A1 ASN 203 HA 0.02 -0.00 0.38 -0.75 4.76 4.40 3gd0A1 ASN 203 HB2 -0.02 0.11 0.10 -0.04 2.88 3.03 3gd0A1 ASN 203 HB3 -0.00 -0.05 -0.00 -0.04 2.79 2.69 3gd0A1 ASN 203 HD21 0.02 -0.07 -0.06 -0.04 7.03 6.89 3gd0A1 ASN 203 HD22 0.01 -0.02 -0.11 -0.04 7.74 7.59 3gd0A1 ALA 204 H -0.12 0.49 -0.28 -0.55 8.40 7.95 3gd0A1 ALA 204 HA -0.06 0.02 0.41 -0.75 4.34 3.95 3gd0A1 ALA 204 HB3 -0.10 0.02 0.07 -0.04 1.41 1.36 3gd0A1 LEU 205 H -0.14 0.56 -0.12 -0.55 8.37 8.12 3gd0A1 LEU 205 HA -0.08 -0.02 0.45 -0.75 4.35 3.94 3gd0A1 LEU 205 HB2 -0.08 0.13 0.14 -0.04 1.64 1.79 3gd0A1 LEU 205 HB3 0.06 -0.01 -0.12 -0.04 1.64 1.53 3gd0A1 LEU 205 HG -0.24 0.09 0.02 -0.04 1.64 1.47 3gd0A1 LEU 205 HD13 -0.23 -0.01 -0.08 -0.04 0.93 0.56 3gd0A1 LEU 205 HD23 0.08 -0.03 -0.04 -0.04 0.89 0.85 3gd0A1 ARG 206 H 0.02 0.59 -0.16 -0.55 8.46 8.35 3gd0A1 ARG 206 HA 0.06 -0.04 0.42 -0.75 4.34 4.03 3gd0A1 ARG 206 HB2 0.04 -0.07 0.06 -0.04 1.90 1.89 3gd0A1 ARG 206 HB3 0.06 0.02 0.12 -0.04 1.80 1.96 3gd0A1 ARG 206 HG2 0.02 0.08 0.29 -0.04 1.67 2.02 3gd0A1 ARG 206 HG3 0.01 0.04 0.03 -0.04 1.67 1.71 3gd0A1 ARG 206 HD2 0.02 -0.04 0.03 -0.04 3.22 3.18 3gd0A1 ARG 206 HD3 0.02 -0.05 -0.02 -0.04 3.22 3.13 3gd0A1 GLY 207 H -0.02 0.38 -0.40 -0.55 8.43 7.85 3gd0A1 GLY 207 HA2 -0.00 0.01 0.40 -0.51 4.01 3.90 3gd0A1 GLY 207 HA3 -0.03 0.01 0.29 -0.51 4.01 3.77 3gd0A1 GLN 208 H -0.02 0.42 -0.53 -0.55 8.47 7.79 3gd0A1 GLN 208 HA -0.16 0.07 0.78 -0.75 4.36 4.29 3gd0A1 GLN 208 HB2 -0.31 0.15 0.11 -0.04 2.15 2.06 3gd0A1 GLN 208 HB3 -0.15 -0.06 0.20 -0.04 2.02 1.97 3gd0A1 GLN 208 HG2 -1.37 -0.14 0.03 -0.04 2.40 0.88 3gd0A1 GLN 208 HG3 -0.66 0.08 -0.03 -0.04 2.39 1.74 3gd0A1 GLN 208 HE21 -0.58 0.02 0.06 -0.04 6.97 6.43 3gd0A1 GLN 208 HE22 -0.61 0.02 0.09 -0.04 7.69 7.15 3gd0A1 SER 209 H -0.02 0.16 0.20 -0.55 8.46 8.26 3gd0A1 SER 209 HA 0.10 0.04 0.38 -0.75 4.49 4.25 3gd0A1 SER 209 HB2 0.06 -0.06 0.14 -0.04 3.95 4.04 3gd0A1 SER 209 HB3 0.03 0.08 0.12 -0.04 3.93 4.12 3gd0A1 GLY 210 H 0.10 0.13 0.22 -0.55 8.43 8.33 3gd0A1 GLY 210 HA2 0.08 0.01 0.39 -0.51 4.01 3.99 3gd0A1 GLY 210 HA3 0.21 0.23 0.95 -0.51 4.01 4.89 3gd0A1 GLY 211 H 0.11 0.10 0.09 -0.55 8.43 8.18 3gd0A1 GLY 211 HA2 -0.03 -0.01 0.39 -0.51 4.01 3.85 3gd0A1 GLY 211 HA3 -0.15 0.54 1.02 -0.51 4.01 4.91 3gd0A1 TRP 212 H 0.16 0.20 -0.03 -0.55 7.97 7.75 3gd0A1 TRP 212 HA -0.02 -0.00 0.30 -0.75 4.62 4.14 3gd0A1 TRP 212 HB2 -0.03 0.36 0.16 -0.04 3.23 3.68 3gd0A1 TRP 212 HB3 -0.02 -0.04 0.08 -0.04 3.23 3.20 3gd0A1 TRP 212 HD1 -0.01 0.20 -0.28 -0.04 7.22 7.08 3gd0A1 TRP 212 HE1 0.12 0.05 0.04 -0.04 10.20 10.36 3gd0A1 TRP 212 HE3 -0.03 0.08 0.02 -0.04 7.59 7.62 3gd0A1 TRP 212 HZ2 0.19 0.09 0.10 -0.04 7.44 7.78 3gd0A1 TRP 212 HZ3 -0.19 -0.07 0.09 -0.04 7.13 6.92 3gd0A1 TRP 212 HH2 -0.20 -0.01 0.16 -0.04 7.19 7.09 3gd0A1 ALA 213 H 0.15 0.04 -0.24 -0.55 8.40 7.80 3gd0A1 ALA 213 HA 0.11 0.08 0.34 -0.75 4.34 4.12 3gd0A1 ALA 213 HB3 0.06 0.06 0.11 -0.04 1.41 1.61 3gd0A1 ASN 214 H 0.02 0.41 -0.34 -0.55 8.53 8.08 3gd0A1 ASN 214 HA 0.03 0.16 0.63 -0.75 4.76 4.82 3gd0A1 ASN 214 HB2 -0.03 0.17 0.17 -0.04 2.88 3.16 3gd0A1 ASN 214 HB3 -0.01 -0.02 0.16 -0.04 2.79 2.89 3gd0A1 ASN 214 HD21 0.00 -0.05 0.02 -0.04 7.03 6.96 3gd0A1 ASN 214 HD22 -0.02 0.09 0.09 -0.04 7.74 7.86 3gd0A1 LEU 215 H 0.05 0.44 -0.52 -0.55 8.37 7.79 3gd0A1 LEU 215 HA 0.01 0.04 0.68 -0.75 4.35 4.33 3gd0A1 LEU 215 HB2 0.11 0.19 0.09 -0.04 1.64 1.99 3gd0A1 LEU 215 HB3 0.06 -0.00 0.09 -0.04 1.64 1.75 3gd0A1 LEU 215 HG -0.06 0.02 0.00 -0.04 1.64 1.56 3gd0A1 LEU 215 HD13 0.12 0.02 -0.01 -0.04 0.93 1.02 3gd0A1 LEU 215 HD23 -0.16 -0.01 -0.14 -0.04 0.89 0.55 3gd0A1 ILE 216 H 0.09 0.33 -0.20 -0.55 8.25 7.92 3gd0A1 ILE 216 HA 0.20 0.09 0.75 -0.75 4.18 4.47 3gd0A1 ILE 216 HB 0.10 0.14 0.17 -0.04 1.89 2.26 3gd0A1 ILE 216 HG12 0.15 0.01 0.05 -0.04 1.49 1.66 3gd0A1 ILE 216 HG13 0.21 -0.01 0.04 -0.04 1.21 1.40 3gd0A1 ILE 216 HG23 0.12 -0.03 -0.19 -0.04 0.93 0.79 3gd0A1 ILE 216 HD13 0.41 -0.02 -0.04 -0.04 0.88 1.19 3gd0A1 GLN 217 H 0.15 0.66 0.45 -0.55 8.47 9.18 3gd0A1 GLN 217 HA 0.05 0.16 0.86 -0.75 4.36 4.67 3gd0A1 GLN 217 HB2 0.08 -0.07 0.17 -0.04 2.15 2.29 3gd0A1 GLN 217 HB3 0.05 -0.01 0.01 -0.04 2.02 2.03 3gd0A1 GLN 217 HG2 0.05 0.04 -0.07 -0.04 2.40 2.37 3gd0A1 GLN 217 HG3 0.07 0.05 -0.18 -0.04 2.39 2.29 3gd0A1 GLN 217 HE21 0.03 0.31 -0.00 -0.04 6.97 7.27 3gd0A1 GLN 217 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.63 3gd0A1 THR 218 H 0.02 0.26 0.03 -0.55 8.28 8.04 3gd0A1 THR 218 HA -0.01 0.13 0.90 -0.75 4.39 4.66 3gd0A1 THR 218 HB 0.01 -0.03 -0.04 -0.04 4.32 4.21 3gd0A1 THR 218 HG23 -0.02 0.07 -0.53 -0.04 1.22 0.70 3gd0A1 ARG 219 H -0.00 0.36 0.09 -0.55 8.46 8.35 3gd0A1 ARG 219 HA 0.01 0.03 0.43 -0.75 4.34 4.06 3gd0A1 ARG 219 HB2 -0.01 -0.10 0.07 -0.04 1.90 1.81 3gd0A1 ARG 219 HB3 -0.00 -0.05 0.05 -0.04 1.80 1.76 3gd0A1 ARG 219 HG2 -0.01 0.16 0.02 -0.04 1.67 1.80 3gd0A1 ARG 219 HG3 -0.01 -0.02 0.02 -0.04 1.67 1.63 3gd0A1 ARG 219 HD2 0.02 -0.01 0.00 -0.04 3.22 3.19 3gd0A1 ARG 219 HD3 0.02 0.11 0.02 -0.04 3.22 3.33 3gd0A1 SER 220 H 0.00 0.13 0.22 -0.55 8.46 8.27 3gd0A1 SER 220 HA 0.00 0.15 0.35 -0.75 4.49 4.24 3gd0A1 SER 220 HB2 0.00 0.00 0.10 -0.04 3.95 4.02 3gd0A1 SER 220 HB3 0.00 0.05 0.17 -0.04 3.93 4.11 3gd0A1 ASP 221 H -0.01 -0.09 -1.05 -0.55 8.40 6.70 3gd0A1 ASP 221 HA -0.01 0.17 0.78 -0.75 4.63 4.83 3gd0A1 ASP 221 HB2 -0.01 0.01 0.15 -0.04 2.71 2.82 3gd0A1 ASP 221 HB3 -0.01 -0.03 0.00 -0.04 2.70 2.62 3gd0A1 GLY 222 H -0.01 1.06 -0.11 -0.55 8.43 8.82 3gd0A1 GLY 222 HA2 -0.01 0.01 0.19 -0.51 4.01 3.68 3gd0A1 GLY 222 HA3 -0.02 0.10 0.42 -0.51 4.01 4.01 3gd0A1 THR 223 H -0.03 0.08 -0.29 -0.55 8.28 7.49 3gd0A1 THR 223 HA -0.05 0.03 0.37 -0.75 4.39 3.98 3gd0A1 THR 223 HB -0.06 0.10 -0.00 -0.04 4.32 4.32 3gd0A1 THR 223 HG23 -0.04 0.01 0.02 -0.04 1.22 1.17 3gd0A1 VAL 224 H -0.13 0.07 0.20 -0.55 8.24 7.84 3gd0A1 VAL 224 HA -0.12 0.11 0.62 -0.75 4.13 3.99 3gd0A1 VAL 224 HB -0.59 -0.04 0.05 -0.04 2.12 1.51 3gd0A1 VAL 224 HG13 -0.95 0.01 -0.10 -0.04 0.97 -0.11 3gd0A1 VAL 224 HG23 -0.31 0.00 0.03 -0.04 0.95 0.64 3gd0A1 LEU 225 H -0.01 0.71 0.47 -0.55 8.37 9.00 3gd0A1 LEU 225 HA 0.06 0.12 0.93 -0.75 4.35 4.71 3gd0A1 LEU 225 HB2 0.05 0.09 0.08 -0.04 1.64 1.81 3gd0A1 LEU 225 HB3 0.07 0.04 -0.06 -0.04 1.64 1.65 3gd0A1 LEU 225 HG 0.02 -0.12 -0.11 -0.04 1.64 1.40 3gd0A1 LEU 225 HD13 0.04 0.02 -0.10 -0.04 0.93 0.85 3gd0A1 LEU 225 HD23 0.06 0.04 -0.13 -0.04 0.89 0.82 3gd0A1 ARG 226 H 0.15 0.39 0.41 -0.55 8.46 8.85 3gd0A1 ARG 226 HA 0.42 0.23 0.71 -0.75 4.34 4.95 3gd0A1 ARG 226 HB2 0.12 -0.01 0.00 -0.04 1.90 1.96 3gd0A1 ARG 226 HB3 0.07 0.09 -0.15 -0.04 1.80 1.76 3gd0A1 ARG 226 HG2 0.09 -0.06 -0.07 -0.04 1.67 1.59 3gd0A1 ARG 226 HG3 0.11 -0.02 -0.36 -0.04 1.67 1.36 3gd0A1 ARG 226 HD2 0.05 0.03 -0.14 -0.04 3.22 3.11 3gd0A1 ARG 226 HD3 0.02 -0.06 -0.17 -0.04 3.22 2.97 3gd0A1 ALA 227 H 0.28 0.56 0.36 -0.55 8.40 9.06 3gd0A1 ALA 227 HA 0.21 0.28 0.83 -0.75 4.34 4.90 3gd0A1 ALA 227 HB3 0.06 -0.01 0.02 -0.04 1.41 1.44 3gd0A1 LEU 228 H 0.09 0.71 0.21 -0.55 8.37 8.84 3gd0A1 LEU 228 HA 0.08 0.08 0.68 -0.75 4.35 4.44 3gd0A1 LEU 228 HB2 0.02 -0.01 0.09 -0.04 1.64 1.71 3gd0A1 LEU 228 HB3 0.07 -0.06 0.04 -0.04 1.64 1.65 3gd0A1 LEU 228 HG 0.06 0.12 0.01 -0.04 1.64 1.79 3gd0A1 LEU 228 HD13 0.05 0.00 -0.04 -0.04 0.93 0.90 3gd0A1 LEU 228 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.75 3gd0A1 SER 229 H -0.00 0.43 0.09 -0.55 8.46 8.43 3gd0A1 SER 229 HA -1.67 0.14 0.53 -0.75 4.49 2.73 3gd0A1 SER 229 HB2 -0.36 0.01 0.16 -0.04 3.95 3.72 3gd0A1 SER 229 HB3 -0.15 0.13 -0.19 -0.04 3.93 3.69 3gd0A1 PRO 230 HA -0.43 0.10 0.35 -0.51 4.44 3.96 3gd0A1 PRO 230 HB2 -1.85 0.01 -0.02 -0.04 2.28 0.37 3gd0A1 PRO 230 HB3 -0.90 0.06 0.09 -0.04 2.02 1.24 3gd0A1 PRO 230 HG2 -0.51 0.07 0.14 -0.04 2.03 1.69 3gd0A1 PRO 230 HG3 -0.20 -0.07 0.12 -0.04 2.03 1.84 3gd0A1 PRO 230 HD2 -0.64 0.25 0.27 -0.04 3.68 3.52 3gd0A1 PRO 230 HD3 -0.64 0.17 0.20 -0.04 3.65 3.33 3gd0A1 LEU 231 H -0.23 0.26 -0.19 -0.55 8.37 7.66 3gd0A1 LEU 231 HA -0.02 0.00 0.47 -0.75 4.35 4.05 3gd0A1 LEU 231 HB2 -0.17 0.08 -0.21 -0.04 1.64 1.30 3gd0A1 LEU 231 HB3 -0.49 0.06 0.03 -0.04 1.64 1.20 3gd0A1 LEU 231 HG -0.79 0.01 -0.38 -0.04 1.64 0.43 3gd0A1 LEU 231 HD13 -0.10 -0.01 0.02 -0.04 0.93 0.79 3gd0A1 LEU 231 HD23 -0.57 0.02 -0.03 -0.04 0.89 0.27 3gd0A1 TYR 232 H -0.22 0.26 -0.24 -0.55 8.29 7.54 3gd0A1 TYR 232 HA -0.02 0.03 0.50 -0.75 4.56 4.32 3gd0A1 TYR 232 HB2 -0.05 0.13 0.12 -0.04 3.06 3.23 3gd0A1 TYR 232 HB3 -0.01 0.01 0.09 -0.04 2.98 3.02 3gd0A1 TYR 232 HD2 0.00 0.08 0.08 -0.04 7.15 7.27 3gd0A1 TYR 232 HE2 0.04 0.01 -0.01 -0.04 6.85 6.85 3gd0A1 GLY 233 H -0.11 0.34 -0.21 -0.55 8.43 7.90 3gd0A1 GLY 233 HA2 -0.07 0.10 0.45 -0.51 4.01 3.98 3gd0A1 GLY 233 HA3 -0.20 0.05 0.20 -0.51 4.01 3.55 3gd0A1 VAL 234 H -0.08 0.56 -0.22 -0.55 8.24 7.95 3gd0A1 VAL 234 HA -0.05 0.28 0.51 -0.75 4.13 4.12 3gd0A1 VAL 234 HB 0.01 0.15 0.13 -0.04 2.12 2.37 3gd0A1 VAL 234 HG13 -0.01 -0.05 -0.12 -0.04 0.97 0.75 3gd0A1 VAL 234 HG23 0.09 0.02 -0.15 -0.04 0.95 0.87 3gd0A1 GLU 235 H 0.01 0.36 -0.12 -0.55 8.60 8.30 3gd0A1 GLU 235 HA 0.03 -0.01 0.41 -0.75 4.29 3.96 3gd0A1 GLU 235 HB2 0.09 -0.04 0.11 -0.04 2.09 2.21 3gd0A1 GLU 235 HB3 0.14 0.14 0.13 -0.04 1.99 2.36 3gd0A1 GLU 235 HG2 0.07 0.07 -0.15 -0.04 2.34 2.29 3gd0A1 GLU 235 HG3 0.07 -0.05 0.05 -0.04 2.34 2.37 3gd0A1 THR 236 H 0.02 0.37 -0.28 -0.55 8.28 7.85 3gd0A1 THR 236 HA 0.02 0.11 0.55 -0.75 4.39 4.32 3gd0A1 THR 236 HB 0.01 -0.01 0.16 -0.04 4.32 4.44 3gd0A1 THR 236 HG23 0.04 0.04 0.07 -0.04 1.22 1.34 3gd0A1 GLY 237 H -0.02 0.29 -0.44 -0.55 8.43 7.71 3gd0A1 GLY 237 HA2 -0.03 0.01 0.27 -0.51 4.01 3.75 3gd0A1 GLY 237 HA3 -0.02 0.08 0.59 -0.51 4.01 4.14 3gd0A1 ALA 238 H -0.05 0.16 -0.16 -0.55 8.40 7.80 3gd0A1 ALA 238 HA -0.06 0.04 0.51 -0.75 4.34 4.07 3gd0A1 ALA 238 HB3 -0.10 0.02 -0.05 -0.04 1.41 1.24 3gd0A1 LEU 239 H -0.13 0.37 -0.29 -0.55 8.37 7.76 3gd0A1 LEU 239 HA -0.18 0.30 0.84 -0.75 4.35 4.56 3gd0A1 LEU 239 HB2 -0.22 -0.10 -0.21 -0.04 1.64 1.07 3gd0A1 LEU 239 HB3 -0.22 -0.00 -0.05 -0.04 1.64 1.33 3gd0A1 LEU 239 HG -0.53 -0.00 -0.53 -0.04 1.64 0.53 3gd0A1 LEU 239 HD13 -1.06 -0.02 -0.08 -0.04 0.93 -0.28 3gd0A1 LEU 239 HD23 -1.01 0.05 -0.17 -0.04 0.89 -0.28 3gd0A1 PRO 240 HA -0.04 0.19 0.59 -0.51 4.44 4.68 3gd0A1 PRO 240 HB2 -0.03 -0.22 0.05 -0.04 2.28 2.04 3gd0A1 PRO 240 HB3 -0.03 0.15 0.11 -0.04 2.02 2.21 3gd0A1 PRO 240 HG2 -0.02 -0.15 0.07 -0.04 2.03 1.88 3gd0A1 PRO 240 HG3 -0.02 0.13 0.08 -0.04 2.03 2.18 3gd0A1 PRO 240 HD2 -0.09 0.11 0.26 -0.04 3.68 3.91 3gd0A1 PRO 240 HD3 -0.07 0.33 0.18 -0.04 3.65 4.05 3gd0A1 ALA 241 H -0.03 0.26 0.21 -0.55 8.40 8.29 3gd0A1 ALA 241 HA -0.05 0.00 0.52 -0.75 4.34 4.06 3gd0A1 ALA 241 HB3 -0.05 0.03 0.15 -0.04 1.41 1.51 3gd0A1 SER 242 H -0.04 0.10 -0.46 -0.55 8.46 7.52 3gd0A1 SER 242 HA -0.07 0.15 0.63 -0.75 4.49 4.44 3gd0A1 SER 242 HB2 -0.03 0.01 0.14 -0.04 3.95 4.03 3gd0A1 SER 242 HB3 -0.04 0.04 0.03 -0.04 3.93 3.92 3gd0A1 VAL 243 H -0.03 0.43 -0.29 -0.55 8.24 7.79 3gd0A1 VAL 243 HA 0.03 0.09 0.16 -0.75 4.13 3.66 3gd0A1 VAL 243 HB 0.01 0.09 0.13 -0.04 2.12 2.31 3gd0A1 VAL 243 HG13 0.12 0.00 -0.05 -0.04 0.97 1.00 3gd0A1 VAL 243 HG23 0.15 0.01 0.04 -0.04 0.95 1.11 3gd0A1 MET 244 H -0.08 0.07 -0.35 -0.55 8.47 7.56 3gd0A1 MET 244 HA 0.06 0.23 0.75 -0.75 4.52 4.80 3gd0A1 MET 244 HB2 -0.20 0.01 -0.14 -0.04 2.15 1.79 3gd0A1 MET 244 HB3 -0.04 0.01 0.06 -0.04 2.03 2.03 3gd0A1 MET 244 HG2 -0.10 -0.08 -0.21 -0.04 2.63 2.19 3gd0A1 MET 244 HG3 -0.48 -0.01 -0.11 -0.04 2.56 1.92 3gd0A1 MET 244 HE3 -0.01 0.03 -0.06 -0.04 2.10 2.02 3gd0A1 ASP 245 H -0.02 0.63 -0.29 -0.55 8.40 8.16 3gd0A1 ASP 245 HA -0.10 0.08 0.23 -0.75 4.63 4.09 3gd0A1 ASP 245 HB2 -0.03 0.14 0.16 -0.04 2.71 2.94 3gd0A1 ASP 245 HB3 -0.05 0.01 -0.01 -0.04 2.70 2.61 3gd0A1 ASP 246 H 0.04 0.19 -0.13 -0.55 8.40 7.95 3gd0A1 ASP 246 HA 0.02 0.08 0.37 -0.75 4.63 4.34 3gd0A1 ASP 246 HB2 0.08 0.01 0.09 -0.04 2.71 2.86 3gd0A1 ASP 246 HB3 0.07 0.05 -0.00 -0.04 2.70 2.77 3gd0A1 TYR 247 H 0.19 0.12 -0.20 -0.55 8.29 7.85 3gd0A1 TYR 247 HA 0.07 0.07 0.48 -0.75 4.56 4.43 3gd0A1 TYR 247 HB2 0.07 0.03 0.11 -0.04 3.06 3.24 3gd0A1 TYR 247 HB3 0.07 0.07 0.10 -0.04 2.98 3.18 3gd0A1 TYR 247 HD2 0.17 0.01 -0.04 -0.04 7.15 7.26 3gd0A1 TYR 247 HE2 0.12 0.02 -0.00 -0.04 6.85 6.95 3gd0A1 ILE 248 H 0.09 0.60 -0.10 -0.55 8.25 8.28 3gd0A1 ILE 248 HA 0.19 0.00 0.37 -0.75 4.18 3.99 3gd0A1 ILE 248 HB -0.20 0.05 0.09 -0.04 1.89 1.79 3gd0A1 ILE 248 HG12 -0.53 -0.04 -0.03 -0.04 1.49 0.85 3gd0A1 ILE 248 HG13 -0.04 0.05 0.02 -0.04 1.21 1.20 3gd0A1 ILE 248 HG23 -0.69 0.02 -0.11 -0.04 0.93 0.12 3gd0A1 ILE 248 HD13 -0.39 0.01 -0.25 -0.04 0.88 0.21 3gd0A1 ASN 249 H -0.04 0.61 -0.16 -0.55 8.53 8.40 3gd0A1 ASN 249 HA 0.01 0.00 0.46 -0.75 4.76 4.48 3gd0A1 ASN 249 HB2 -0.00 0.13 0.17 -0.04 2.88 3.13 3gd0A1 ASN 249 HB3 0.01 -0.04 0.00 -0.04 2.79 2.72 3gd0A1 ASN 249 HD21 -0.04 -0.06 -0.04 -0.04 7.03 6.85 3gd0A1 ASN 249 HD22 -0.02 -0.03 -0.06 -0.04 7.74 7.60 3gd0A1 ARG 250 H -0.01 0.45 -0.19 -0.55 8.46 8.15 3gd0A1 ARG 250 HA -0.00 0.01 0.48 -0.75 4.34 4.08 3gd0A1 ARG 250 HB2 -0.11 0.11 0.21 -0.04 1.90 2.08 3gd0A1 ARG 250 HB3 -0.09 -0.03 0.01 -0.04 1.80 1.65 3gd0A1 ARG 250 HG2 -0.01 -0.04 0.04 -0.04 1.67 1.63 3gd0A1 ARG 250 HG3 0.01 0.08 0.05 -0.04 1.67 1.77 3gd0A1 ARG 250 HD2 -0.01 0.01 0.00 -0.04 3.22 3.18 3gd0A1 ARG 250 HD3 0.02 -0.02 -0.00 -0.04 3.22 3.17 3gd0A1 VAL 251 H 0.02 0.48 -0.17 -0.55 8.24 8.01 3gd0A1 VAL 251 HA -0.05 0.05 0.39 -0.75 4.13 3.77 3gd0A1 VAL 251 HB 0.66 0.12 0.12 -0.04 2.12 2.97 3gd0A1 VAL 251 HG13 0.14 0.00 -0.21 -0.04 0.97 0.85 3gd0A1 VAL 251 HG23 -0.27 0.02 -0.06 -0.04 0.95 0.60 3gd0A1 TRP 252 H 1.02 0.00 -0.12 -0.55 7.97 8.33 3gd0A1 TRP 252 HA 0.06 0.01 0.37 -0.75 4.62 4.31 3gd0A1 TRP 252 HB2 0.01 0.04 0.13 -0.04 3.23 3.37 3gd0A1 TRP 252 HB3 0.03 -0.06 -0.01 -0.04 3.23 3.14 3gd0A1 TRP 252 HD1 0.06 0.00 0.18 -0.04 7.22 7.42 3gd0A1 TRP 252 HE1 0.45 -0.05 -0.07 -0.04 10.20 10.49 3gd0A1 TRP 252 HE3 0.05 0.02 -0.15 -0.04 7.59 7.47 3gd0A1 TRP 252 HZ2 0.28 -0.01 -0.09 -0.04 7.44 7.57 3gd0A1 TRP 252 HZ3 0.09 0.07 -0.11 -0.04 7.13 7.15 3gd0A1 TRP 252 HH2 0.19 0.07 -0.35 -0.04 7.19 7.06 3gd0A1 ASN 253 H 0.14 0.58 -0.19 -0.55 8.53 8.52 3gd0A1 ASN 253 HA 0.03 -0.01 0.39 -0.75 4.76 4.41 3gd0A1 ASN 253 HB2 -0.00 0.10 0.17 -0.04 2.88 3.10 3gd0A1 ASN 253 HB3 -0.02 -0.04 -0.01 -0.04 2.79 2.68 3gd0A1 ASN 253 HD21 0.02 -0.07 -0.04 -0.04 7.03 6.90 3gd0A1 ASN 253 HD22 0.01 -0.01 -0.02 -0.04 7.74 7.67 3gd0A1 LYS 254 H -0.13 0.59 -0.10 -0.55 8.42 8.22 3gd0A1 LYS 254 HA -0.22 -0.03 0.37 -0.75 4.32 3.69 3gd0A1 LYS 254 HB2 -0.30 -0.01 0.14 -0.04 1.87 1.65 3gd0A1 LYS 254 HB3 -0.66 0.08 0.15 -0.04 1.79 1.31 3gd0A1 LYS 254 HG2 -0.96 0.01 -0.23 -0.04 1.46 0.25 3gd0A1 LYS 254 HG3 -0.36 -0.08 0.04 -0.04 1.46 1.02 3gd0A1 LYS 254 HD2 -0.30 -0.05 0.04 -0.04 1.69 1.34 3gd0A1 LYS 254 HD3 -0.81 0.03 -0.01 -0.04 1.68 0.84 3gd0A1 LYS 254 HE2 -0.31 -0.06 -0.07 -0.04 2.99 2.51 3gd0A1 LYS 254 HE3 -0.18 -0.09 -0.01 -0.04 2.99 2.67 3gd0A1 TYR 255 H -0.22 0.51 -0.26 -0.55 8.29 7.77 3gd0A1 TYR 255 HA -0.16 0.29 0.56 -0.75 4.56 4.49 3gd0A1 TYR 255 HB2 -0.41 0.00 0.03 -0.04 3.06 2.64 3gd0A1 TYR 255 HB3 -0.30 -0.05 0.13 -0.04 2.98 2.71 3gd0A1 TYR 255 HD2 -0.22 0.15 -0.25 -0.04 7.15 6.78 3gd0A1 TYR 255 HE2 -0.15 0.02 -0.18 -0.04 6.85 6.50 3gd0A1 THR 256 H -0.09 0.40 -0.47 -0.55 8.28 7.57 3gd0A1 THR 256 HA -0.05 0.16 0.88 -0.75 4.39 4.62 3gd0A1 THR 256 HB -0.03 0.13 0.17 -0.04 4.32 4.54 3gd0A1 THR 256 HG23 -0.01 -0.02 0.03 -0.04 1.22 1.17 3gd0A1 GLY 257 H -0.08 0.39 0.00 -0.55 8.43 8.19 3gd0A1 GLY 257 HA2 -0.04 0.10 0.66 -0.51 4.01 4.22 3gd0A1 GLY 257 HA3 -0.05 -0.05 0.32 -0.51 4.01 3.72 3gd0A1 THR 258 H -0.04 0.29 0.01 -0.55 8.28 7.99 3gd0A1 THR 258 HA -0.02 0.04 0.60 -0.75 4.39 4.26 3gd0A1 THR 258 HB -0.05 0.02 -0.19 -0.04 4.32 4.06 3gd0A1 THR 258 HG23 -0.10 0.09 -0.13 -0.04 1.22 1.03 3gd0A1 ASP 259 H 0.00 0.06 0.14 -0.55 8.40 8.05 3gd0A1 ASP 259 HA -0.05 0.27 0.52 -0.75 4.63 4.62 3gd0A1 ASP 259 HB2 -0.02 -0.05 0.08 -0.04 2.71 2.67 3gd0A1 ASP 259 HB3 -0.05 0.01 -0.08 -0.04 2.70 2.53 3gd0A1 LEU 260 H -0.25 0.70 0.41 -0.55 8.37 8.68 3gd0A1 LEU 260 HA -0.41 0.22 0.95 -0.75 4.35 4.36 3gd0A1 LEU 260 HB2 -1.60 0.03 0.06 -0.04 1.64 0.10 3gd0A1 LEU 260 HB3 -0.57 -0.09 0.20 -0.04 1.64 1.15 3gd0A1 LEU 260 HG -0.18 -0.03 -0.31 -0.04 1.64 1.08 3gd0A1 LEU 260 HD13 -0.53 0.04 -0.01 -0.04 0.93 0.39 3gd0A1 LEU 260 HD23 -0.46 -0.03 -0.10 -0.04 0.89 0.25 3gd0A1 ILE 261 H -0.16 0.82 0.31 -0.55 8.25 8.67 3gd0A1 ILE 261 HA 0.06 0.19 0.92 -0.75 4.18 4.60 3gd0A1 ILE 261 HB 0.10 0.02 0.22 -0.04 1.89 2.20 3gd0A1 ILE 261 HG12 -0.07 0.05 -0.13 -0.04 1.49 1.31 3gd0A1 ILE 261 HG13 0.12 -0.03 -0.05 -0.04 1.21 1.21 3gd0A1 ILE 261 HG23 0.11 -0.01 -0.17 -0.04 0.93 0.82 3gd0A1 ILE 261 HD13 0.03 -0.01 -0.15 -0.04 0.88 0.71 3gd0A1 VAL 262 H 0.15 0.66 0.39 -0.55 8.24 8.89 3gd0A1 VAL 262 HA 0.00 0.32 0.95 -0.75 4.13 4.65 3gd0A1 VAL 262 HB -0.03 -0.03 0.12 -0.04 2.12 2.14 3gd0A1 VAL 262 HG13 -0.17 -0.02 -0.19 -0.04 0.97 0.55 3gd0A1 VAL 262 HG23 -0.05 -0.01 -0.24 -0.04 0.95 0.61 3gd0A1 THR 263 H 0.01 0.77 0.22 -0.55 8.28 8.73 3gd0A1 THR 263 HA 0.03 0.31 1.02 -0.75 4.39 4.99 3gd0A1 THR 263 HB 0.03 -0.00 0.06 -0.04 4.32 4.38 3gd0A1 THR 263 HG23 0.03 -0.00 -0.20 -0.04 1.22 1.01 3gd0A1 PRO 264 HA -0.17 0.13 0.13 -0.51 4.44 4.01 3gd0A1 PRO 264 HB2 -0.53 -0.05 -0.07 -0.04 2.28 1.59 3gd0A1 PRO 264 HB3 -0.29 0.05 -0.20 -0.04 2.02 1.54 3gd0A1 PRO 264 HG2 -1.09 -0.01 -0.15 -0.04 2.03 0.74 3gd0A1 PRO 264 HG3 -0.26 0.00 -0.18 -0.04 2.03 1.55 3gd0A1 PRO 264 HD2 -0.00 0.20 0.06 -0.04 3.68 3.89 3gd0A1 PRO 264 HD3 0.10 0.25 -0.21 -0.04 3.65 3.75 3gd0A1 PHE 265 H -0.02 0.30 -0.38 -0.55 8.34 7.68 3gd0A1 PHE 265 HA 0.03 0.14 0.96 -0.75 4.62 4.99 3gd0A1 PHE 265 HB2 0.03 0.11 0.15 -0.04 3.15 3.40 3gd0A1 PHE 265 HB3 0.03 -0.09 0.03 -0.04 3.06 2.99 3gd0A1 PHE 265 HD2 0.04 0.05 0.00 -0.04 7.28 7.33 3gd0A1 PHE 265 HE2 0.12 0.00 -0.05 -0.04 7.38 7.41 3gd0A1 PHE 265 HZ 0.07 0.01 -0.04 -0.04 7.32 7.31 3gd0A1 ALA 266 H 0.14 0.20 0.07 -0.55 8.40 8.25 3gd0A1 ALA 266 HA 0.09 0.16 0.23 -0.75 4.34 4.07 3gd0A1 ALA 266 HB3 0.14 0.01 0.08 -0.04 1.41 1.60 3gd0A1 ASP 267 H 0.13 -0.01 -0.35 -0.55 8.40 7.63 3gd0A1 ASP 267 HA 0.05 0.25 0.83 -0.75 4.63 5.01 3gd0A1 ASP 267 HB2 0.04 0.02 0.12 -0.04 2.71 2.85 3gd0A1 ASP 267 HB3 0.06 -0.02 -0.00 -0.04 2.70 2.70 3gd0A1 ARG 268 H 0.14 0.36 -0.37 -0.55 8.46 8.04 3gd0A1 ARG 268 HA 0.04 0.19 0.88 -0.75 4.34 4.70 3gd0A1 ARG 268 HB2 0.11 -0.01 0.15 -0.04 1.90 2.11 3gd0A1 ARG 268 HB3 0.04 -0.08 0.15 -0.04 1.80 1.87 3gd0A1 ARG 268 HG2 -0.02 0.07 -0.03 -0.04 1.67 1.65 3gd0A1 ARG 268 HG3 -0.03 -0.06 -0.28 -0.04 1.67 1.25 3gd0A1 ARG 268 HD2 -0.13 -0.02 0.01 -0.04 3.22 3.03 3gd0A1 ARG 268 HD3 -0.12 0.01 -0.03 -0.04 3.22 3.05 3gd0A1 PRO 269 HA 0.05 0.17 0.23 -0.51 4.44 4.38 3gd0A1 PRO 269 HB2 0.01 0.01 -0.04 -0.04 2.28 2.22 3gd0A1 PRO 269 HB3 0.03 0.08 0.05 -0.04 2.02 2.13 3gd0A1 PRO 269 HG2 0.01 -0.03 -0.02 -0.04 2.03 1.96 3gd0A1 PRO 269 HG3 0.02 0.05 0.00 -0.04 2.03 2.06 3gd0A1 PRO 269 HD2 0.03 0.12 0.01 -0.04 3.68 3.79 3gd0A1 PRO 269 HD3 0.04 0.20 -0.29 -0.04 3.65 3.55 3gd0A1 ASP 270 H 0.02 0.03 -0.44 -0.55 8.40 7.46 3gd0A1 ASP 270 HA 0.00 0.19 0.62 -0.75 4.63 4.68 3gd0A1 ASP 270 HB2 -0.00 -0.02 -0.04 -0.04 2.71 2.61 3gd0A1 ASP 270 HB3 -0.01 -0.01 0.08 -0.04 2.70 2.72 3gd0A1 VAL 271 H 0.05 0.45 -0.22 -0.55 8.24 7.97 3gd0A1 VAL 271 HA -0.06 0.02 0.69 -0.75 4.13 4.02 3gd0A1 VAL 271 HB 0.24 0.11 0.21 -0.04 2.12 2.64 3gd0A1 VAL 271 HG13 0.09 -0.02 -0.10 -0.04 0.97 0.90 3gd0A1 VAL 271 HG23 0.00 -0.03 0.00 -0.04 0.95 0.88 3gd0A1 ARG 272 H -0.19 0.14 0.24 -0.55 8.46 8.10 3gd0A1 ARG 272 HA -0.08 0.36 1.04 -0.75 4.34 4.92 3gd0A1 ARG 272 HB2 -0.00 -0.01 -0.10 -0.04 1.90 1.74 3gd0A1 ARG 272 HB3 -0.01 0.08 -0.18 -0.04 1.80 1.65 3gd0A1 ARG 272 HG2 -0.06 0.10 0.02 -0.04 1.67 1.69 3gd0A1 ARG 272 HG3 -0.04 -0.07 -0.03 -0.04 1.67 1.49 3gd0A1 ARG 272 HD2 -0.01 -0.06 -0.03 -0.04 3.22 3.08 3gd0A1 ARG 272 HD3 0.01 -0.01 -0.09 -0.04 3.22 3.09 3gd0A1 TYR 273 H 0.12 0.68 0.38 -0.55 8.29 8.91 3gd0A1 TYR 273 HA 0.10 0.25 0.98 -0.75 4.56 5.13 3gd0A1 TYR 273 HB2 -0.02 -0.02 0.08 -0.04 3.06 3.07 3gd0A1 TYR 273 HB3 0.18 -0.03 -0.05 -0.04 2.98 3.04 3gd0A1 TYR 273 HD2 -0.01 0.07 -0.15 -0.04 7.15 7.01 3gd0A1 TYR 273 HE2 0.02 -0.04 -0.10 -0.04 6.85 6.69 3gd0A1 THR 274 H 0.22 0.59 0.32 -0.55 8.28 8.86 3gd0A1 THR 274 HA 0.08 0.22 0.92 -0.75 4.39 4.85 3gd0A1 THR 274 HB 0.03 -0.04 0.15 -0.04 4.32 4.43 3gd0A1 THR 274 HG23 -0.04 0.00 -0.16 -0.04 1.22 0.99 3gd0A1 GLY 275 H -0.19 0.80 0.42 -0.55 8.43 8.90 3gd0A1 GLY 275 HA2 -0.85 0.36 0.98 -0.51 4.01 3.99 3gd0A1 GLY 275 HA3 -1.40 -0.04 0.28 -0.51 4.01 2.35 3gd0A1 ARG 276 H -0.37 0.53 0.36 -0.55 8.46 8.43 3gd0A1 ARG 276 HA -0.19 0.32 0.77 -0.75 4.34 4.49 3gd0A1 ARG 276 HB2 -0.12 -0.04 -0.19 -0.04 1.90 1.51 3gd0A1 ARG 276 HB3 -0.11 -0.08 0.03 -0.04 1.80 1.59 3gd0A1 ARG 276 HG2 -0.06 -0.12 -0.09 -0.04 1.67 1.37 3gd0A1 ARG 276 HG3 -0.08 0.15 -0.06 -0.04 1.67 1.65 3gd0A1 ARG 276 HD2 -0.05 0.12 -0.39 -0.04 3.22 2.86 3gd0A1 ARG 276 HD3 -0.06 0.26 -0.00 -0.04 3.22 3.38 3gd0A1 VAL 277 H -0.15 0.81 0.22 -0.55 8.24 8.57 3gd0A1 VAL 277 HA -0.14 0.26 0.72 -0.75 4.13 4.22 3gd0A1 VAL 277 HB -0.10 0.07 -0.10 -0.04 2.12 1.95 3gd0A1 VAL 277 HG13 0.08 -0.06 -0.35 -0.04 0.97 0.60 3gd0A1 VAL 277 HG23 -0.51 -0.01 -0.19 -0.04 0.95 0.20 3gd0A1 SER 278 H -0.02 0.66 0.34 -0.55 8.46 8.90 3gd0A1 SER 278 HA 0.00 0.08 0.51 -0.75 4.49 4.32 3gd0A1 SER 278 HB2 -0.00 -0.06 0.09 -0.04 3.95 3.93 3gd0A1 SER 278 HB3 -0.02 0.16 0.05 -0.04 3.93 4.07 3gd0A1 GLY 279 H 0.02 0.19 0.13 -0.55 8.43 8.23 3gd0A1 GLY 279 HA2 0.03 0.03 0.35 -0.51 4.01 3.91 3gd0A1 GLY 279 HA3 0.03 0.10 0.45 -0.51 4.01 4.08 3gd0A1 GLY 280 H 0.07 0.06 -0.34 -0.55 8.43 7.68 3gd0A1 GLY 280 HA2 0.16 0.01 0.20 -0.51 4.01 3.87 3gd0A1 GLY 280 HA3 0.10 0.08 0.37 -0.51 4.01 4.05 3gd0A1 VAL 281 H 0.09 0.32 -0.46 -0.55 8.24 7.65 3gd0A1 VAL 281 HA 0.29 0.22 0.95 -0.75 4.13 4.84 3gd0A1 VAL 281 HB 0.06 0.08 0.03 -0.04 2.12 2.25 3gd0A1 VAL 281 HG13 0.10 0.00 -0.28 -0.04 0.97 0.74 3gd0A1 VAL 281 HG23 0.09 0.03 -0.17 -0.04 0.95 0.85 3gd0A1 LEU 282 H 0.28 0.60 0.23 -0.55 8.37 8.94 3gd0A1 LEU 282 HA -0.25 0.14 0.54 -0.75 4.35 4.02 3gd0A1 LEU 282 HB2 -1.02 -0.00 -0.03 -0.04 1.64 0.55 3gd0A1 LEU 282 HB3 0.09 -0.02 0.18 -0.04 1.64 1.85 3gd0A1 LEU 282 HG -0.25 -0.02 -0.33 -0.04 1.64 1.00 3gd0A1 LEU 282 HD13 -0.62 0.01 -0.25 -0.04 0.93 0.04 3gd0A1 LEU 282 HD23 -0.24 -0.00 -0.13 -0.04 0.89 0.47 3gd0A1 ARG 283 H -0.18 0.70 0.33 -0.55 8.46 8.77 3gd0A1 ARG 283 HA 0.04 0.12 0.99 -0.75 4.34 4.74 3gd0A1 ARG 283 HB2 -0.06 0.06 0.17 -0.04 1.90 2.03 3gd0A1 ARG 283 HB3 -0.00 -0.03 0.02 -0.04 1.80 1.75 3gd0A1 ARG 283 HG2 0.01 -0.06 -0.15 -0.04 1.67 1.43 3gd0A1 ARG 283 HG3 -0.01 0.13 -0.17 -0.04 1.67 1.58 3gd0A1 ARG 283 HD2 -0.02 0.01 0.02 -0.04 3.22 3.20 3gd0A1 ARG 283 HD3 0.00 -0.05 -0.03 -0.04 3.22 3.10 3gd0A1 PHE 284 H 0.22 0.61 0.37 -0.55 8.34 8.99 3gd0A1 PHE 284 HA 0.03 0.42 1.02 -0.75 4.62 5.33 3gd0A1 PHE 284 HB2 0.04 -0.01 0.10 -0.04 3.15 3.24 3gd0A1 PHE 284 HB3 0.06 -0.02 -0.14 -0.04 3.06 2.93 3gd0A1 PHE 284 HD2 0.18 -0.01 -0.39 -0.04 7.28 7.03 3gd0A1 PHE 284 HE2 -0.09 0.07 -0.17 -0.04 7.38 7.15 3gd0A1 PHE 284 HZ -0.23 -0.00 -0.16 -0.04 7.32 6.89 3gd0A1 THR 285 H 0.13 0.66 0.37 -0.55 8.28 8.89 3gd0A1 THR 285 HA 0.13 0.28 1.09 -0.75 4.39 5.13 3gd0A1 THR 285 HB 0.06 0.00 -0.14 -0.04 4.32 4.21 3gd0A1 THR 285 HG23 0.03 -0.01 -0.24 -0.04 1.22 0.96 3gd0A1 ASP 286 H 0.13 0.41 0.22 -0.55 8.40 8.61 3gd0A1 ASP 286 HA 0.10 0.32 0.94 -0.75 4.63 5.24 3gd0A1 ASP 286 HB2 0.06 -0.03 0.23 -0.04 2.71 2.93 3gd0A1 ASP 286 HB3 0.33 0.07 0.07 -0.04 2.70 3.13 3gd0A1 GLY 287 H -0.06 0.20 0.23 -0.55 8.43 8.25 3gd0A1 GLY 287 HA2 -0.02 0.13 0.39 -0.51 4.01 4.00 3gd0A1 GLY 287 HA3 -0.03 0.04 0.39 -0.51 4.01 3.90 3gd0A1 SER 288 H 0.02 -0.00 -0.28 -0.55 8.46 7.66 3gd0A1 SER 288 HA 0.01 0.14 0.34 -0.75 4.49 4.23 3gd0A1 SER 288 HB2 0.02 0.04 0.11 -0.04 3.95 4.08 3gd0A1 SER 288 HB3 0.02 -0.01 0.07 -0.04 3.93 3.97 3gd0A1 GLY 289 H 0.03 0.41 -0.43 -0.55 8.43 7.90 3gd0A1 GLY 289 HA2 0.03 0.09 0.23 -0.51 4.01 3.85 3gd0A1 GLY 289 HA3 0.02 0.15 0.69 -0.51 4.01 4.36 3gd0A1 ALA 290 H 0.04 -0.05 -0.18 -0.55 8.40 7.66 3gd0A1 ALA 290 HA 0.03 0.11 0.48 -0.75 4.34 4.21 3gd0A1 ALA 290 HB3 0.04 0.02 -0.01 -0.04 1.41 1.41 3gd0A1 VAL 291 H 0.03 0.13 0.18 -0.55 8.24 8.03 3gd0A1 VAL 291 HA 0.07 0.25 0.84 -0.75 4.13 4.53 3gd0A1 VAL 291 HB 0.02 -0.05 0.14 -0.04 2.12 2.19 3gd0A1 VAL 291 HG13 0.03 -0.00 -0.17 -0.04 0.97 0.79 3gd0A1 VAL 291 HG23 0.02 0.01 -0.02 -0.04 0.95 0.92 3gd0A1 VAL 292 H 0.10 0.66 0.36 -0.55 8.24 8.81 3gd0A1 VAL 292 HA 0.03 0.17 0.72 -0.75 4.13 4.30 3gd0A1 VAL 292 HB 0.02 -0.01 0.00 -0.04 2.12 2.09 3gd0A1 VAL 292 HG13 0.12 0.02 -0.13 -0.04 0.97 0.94 3gd0A1 VAL 292 HG23 0.06 0.03 -0.16 -0.04 0.95 0.84 3gd0A1 THR 293 H 0.07 0.33 0.22 -0.55 8.28 8.35 3gd0A1 THR 293 HA -0.08 0.09 0.44 -0.75 4.39 4.09 3gd0A1 THR 293 HB -0.11 0.07 -0.26 -0.04 4.32 3.98 3gd0A1 THR 293 HG23 -0.03 -0.01 -0.20 -0.04 1.22 0.93 3gd0A1 THR 294 H -0.21 0.24 0.17 -0.55 8.28 7.94 3gd0A1 THR 294 HA 0.08 0.30 1.02 -0.75 4.39 5.03 3gd0A1 THR 294 HB 0.04 0.05 -0.07 -0.04 4.32 4.30 3gd0A1 THR 294 HG23 0.01 -0.02 -0.22 -0.04 1.22 0.94 3gd0A1 PHE 295 H 0.30 0.70 0.29 -0.55 8.34 9.07 3gd0A1 PHE 295 HA 0.15 0.18 1.05 -0.75 4.62 5.25 3gd0A1 PHE 295 HB2 0.33 -0.07 0.09 -0.04 3.15 3.46 3gd0A1 PHE 295 HB3 0.37 0.14 0.02 -0.04 3.06 3.55 3gd0A1 PHE 295 HD2 0.25 0.13 -0.05 -0.04 7.28 7.58 3gd0A1 PHE 295 HE2 -0.02 0.01 -0.15 -0.04 7.38 7.18 3gd0A1 PHE 295 HZ -0.11 -0.02 -0.15 -0.04 7.32 7.00 3gd0A1 GLN 296 H 0.20 0.15 0.15 -0.55 8.47 8.43 3gd0A1 GLN 296 HA 0.22 0.15 0.76 -0.75 4.36 4.73 3gd0A1 GLN 296 HB2 0.04 -0.02 0.01 -0.04 2.15 2.14 3gd0A1 GLN 296 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 3gd0A1 GLN 296 HG2 0.06 -0.01 0.01 -0.04 2.40 2.41 3gd0A1 GLN 296 HG3 0.02 -0.02 0.01 -0.04 2.39 2.37 3gd0A1 GLN 296 HE21 0.05 0.03 -0.10 -0.04 6.97 6.90 3gd0A1 GLN 296 HE22 0.04 -0.00 -0.14 -0.04 7.69 7.54 3gd0A1 LYS 297 H -0.09 0.15 0.15 -0.55 8.42 8.08 3gd0A1 LYS 297 HA -1.48 0.09 0.43 -0.75 4.32 2.61 3gd0A1 LYS 297 HB2 -0.36 0.04 0.18 -0.04 1.87 1.68 3gd0A1 LYS 297 HB3 -0.34 -0.06 0.08 -0.04 1.79 1.43 3gd0A1 LYS 297 HG2 -0.76 0.08 -0.06 -0.04 1.46 0.68 3gd0A1 LYS 297 HG3 -1.55 0.02 -0.00 -0.04 1.46 -0.11 3gd0A1 LYS 297 HD2 -0.24 -0.04 -0.01 -0.04 1.69 1.35 3gd0A1 LYS 297 HD3 -0.32 -0.04 -0.08 -0.04 1.68 1.20 3gd0A1 LYS 297 HE2 -0.09 0.02 -0.03 -0.04 2.99 2.85 3gd0A1 LYS 297 HE3 -0.07 0.04 0.02 -0.04 2.99 2.94 3gd0A1 PRO 298 HA -0.18 0.02 0.48 -0.51 4.44 4.25 3gd0A1 PRO 298 HB2 -0.33 -0.01 -0.01 -0.04 2.28 1.88 3gd0A1 PRO 298 HB3 -0.13 0.07 -0.04 -0.04 2.02 1.88 3gd0A1 PRO 298 HG2 -0.77 -0.03 -0.02 -0.04 2.03 1.16 3gd0A1 PRO 298 HG3 -0.51 0.06 -0.02 -0.04 2.03 1.53 3gd0A1 PRO 298 HD2 -1.02 0.03 0.18 -0.04 3.68 2.83 3gd0A1 PRO 298 HD3 -0.24 0.32 0.18 -0.04 3.65 3.87 3gd0A1 ASP 299 H -0.18 -0.02 0.15 -0.55 8.40 7.80 3gd0A1 ASP 299 HA -0.22 0.28 0.78 -0.75 4.63 4.73 3gd0A1 ASP 299 HB2 -0.13 0.07 0.27 -0.04 2.71 2.89 3gd0A1 ASP 299 HB3 -0.14 0.14 0.03 -0.04 2.70 2.69 3gd0A1 ALA 300 H -0.15 0.54 0.30 -0.55 8.40 8.54 3gd0A1 ALA 300 HA -0.49 0.09 0.31 -0.75 4.34 3.50 3gd0A1 ALA 300 HB3 -0.13 -0.02 0.06 -0.04 1.41 1.29 3gd0A1 SER 301 H -0.07 0.13 0.02 -0.55 8.46 8.00 3gd0A1 SER 301 HA 0.08 0.11 0.45 -0.75 4.49 4.38 3gd0A1 SER 301 HB2 0.02 0.07 0.09 -0.04 3.95 4.08 3gd0A1 SER 301 HB3 -0.02 -0.05 0.02 -0.04 3.93 3.84 3gd0A1 SER 302 H -0.09 0.01 -0.39 -0.55 8.46 7.45 3gd0A1 SER 302 HA 0.08 0.13 0.27 -0.75 4.49 4.21 3gd0A1 SER 302 HB2 -0.13 0.02 0.13 -0.04 3.95 3.93 3gd0A1 SER 302 HB3 -0.03 0.09 0.03 -0.04 3.93 3.98 3gd0A1 VAL 303 H -0.21 0.40 -0.17 -0.55 8.24 7.71 3gd0A1 VAL 303 HA -0.05 0.10 0.50 -0.75 4.13 3.92 3gd0A1 VAL 303 HB -0.57 0.01 0.12 -0.04 2.12 1.64 3gd0A1 VAL 303 HG13 -0.16 0.01 -0.25 -0.04 0.97 0.53 3gd0A1 VAL 303 HG23 -0.46 0.02 -0.06 -0.04 0.95 0.42 3gd0A1 PHE 304 H -0.27 0.68 0.06 -0.55 8.34 8.25 3gd0A1 PHE 304 HA -0.01 0.04 0.30 -0.75 4.62 4.20 3gd0A1 PHE 304 HB2 -0.07 0.06 -0.01 -0.04 3.15 3.09 3gd0A1 PHE 304 HB3 -0.06 -0.16 -0.02 -0.04 3.06 2.77 3gd0A1 PHE 304 HD2 -0.04 0.03 -0.15 -0.04 7.28 7.08 3gd0A1 PHE 304 HE2 -0.00 0.01 -0.09 -0.04 7.38 7.26 3gd0A1 PHE 304 HZ 0.14 0.05 -0.09 -0.04 7.32 7.38 3gd0A1 GLY 305 H 0.09 0.50 -0.31 -0.55 8.43 8.16 3gd0A1 GLY 305 HA2 -0.16 0.10 0.75 -0.51 4.01 4.18 3gd0A1 GLY 305 HA3 -0.50 -0.01 0.26 -0.51 4.01 3.24 3gd0A1 CYS 306 H 0.12 0.33 -0.35 -0.55 8.50 8.05 3gd0A1 CYS 306 HA 0.22 0.10 0.38 -0.75 4.58 4.52 3gd0A1 CYS 306 HB2 -0.05 0.05 0.00 -0.04 2.97 2.93 3gd0A1 CYS 306 HB3 0.37 0.03 0.18 -0.04 2.97 3.50 3gd0A1 HIS 307 H 0.37 0.35 -0.06 -0.55 8.41 8.52 3gd0A1 HIS 307 HA 0.09 0.13 0.30 -0.75 4.63 4.39 3gd0A1 HIS 307 HB2 0.04 -0.12 0.06 -0.04 3.26 3.20 3gd0A1 HIS 307 HB3 0.03 0.29 -0.39 -0.04 3.20 3.09 3gd0A1 HIS 307 HD2 0.01 -0.01 -0.25 -0.04 6.97 6.68 3gd0A1 HIS 307 HE1 -0.02 0.00 -0.10 -0.04 7.75 7.59 3gd0A1 ARG 308 H -0.06 0.20 0.03 -0.55 8.46 8.08 3gd0A1 ARG 308 HA -0.13 0.10 0.34 -0.75 4.34 3.89 3gd0A1 ARG 308 HB2 -0.31 0.02 -0.12 -0.04 1.90 1.44 3gd0A1 ARG 308 HB3 -0.18 0.03 0.12 -0.04 1.80 1.73 3gd0A1 ARG 308 HG2 -0.29 0.07 -0.00 -0.04 1.67 1.41 3gd0A1 ARG 308 HG3 -1.19 -0.00 -0.18 -0.04 1.67 0.25 3gd0A1 ARG 308 HD2 -0.31 -0.11 -0.17 -0.04 3.22 2.59 3gd0A1 ARG 308 HD3 -0.18 0.02 -0.04 -0.04 3.22 2.98 3gd0A1 LEU 309 H -0.07 0.06 0.24 -0.55 8.37 8.06 3gd0A1 LEU 309 HA 0.03 0.13 0.49 -0.75 4.35 4.25 3gd0A1 LEU 309 HB2 -0.03 -0.13 0.08 -0.04 1.64 1.52 3gd0A1 LEU 309 HB3 0.04 0.13 0.03 -0.04 1.64 1.80 3gd0A1 LEU 309 HG -0.06 -0.11 0.05 -0.04 1.64 1.47 3gd0A1 LEU 309 HD13 -0.08 -0.02 -0.05 -0.04 0.93 0.74 3gd0A1 LEU 309 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 3gd0A1 LEU 310 H 0.08 0.46 -0.46 -0.55 8.37 7.91 3gd0A1 LEU 310 HA 0.32 0.23 0.62 -0.75 4.35 4.77 3gd0A1 LEU 310 HB2 0.14 0.09 -0.03 -0.04 1.64 1.79 3gd0A1 LEU 310 HB3 0.20 0.01 0.04 -0.04 1.64 1.85 3gd0A1 LEU 310 HG 0.11 -0.06 -0.35 -0.04 1.64 1.30 3gd0A1 LEU 310 HD13 0.02 -0.03 -0.22 -0.04 0.93 0.65 3gd0A1 LEU 310 HD23 0.14 0.03 -0.05 -0.04 0.89 0.97 3gd0A1 ASP 311 H 0.12 0.32 -0.57 -0.55 8.40 7.72 3gd0A1 ASP 311 HA 0.16 -0.00 0.35 -0.75 4.63 4.38 3gd0A1 ASP 311 HB2 0.07 -0.03 -0.04 -0.04 2.71 2.67 3gd0A1 ASP 311 HB3 0.06 -0.01 0.05 -0.04 2.70 2.76 3gd0A1 ALA 312 H 0.18 0.13 0.02 -0.55 8.40 8.18 3gd0A1 ALA 312 HA 0.10 0.18 0.70 -0.75 4.34 4.57 3gd0A1 ALA 312 HB3 0.21 0.03 0.05 -0.04 1.41 1.66 3gd0A1 PRO 313 HA 0.06 0.14 0.21 -0.51 4.44 4.33 3gd0A1 PRO 313 HB2 0.02 0.04 0.09 -0.04 2.28 2.39 3gd0A1 PRO 313 HB3 0.03 0.04 0.03 -0.04 2.02 2.07 3gd0A1 PRO 313 HG2 0.00 -0.00 -0.00 -0.04 2.03 1.98 3gd0A1 PRO 313 HG3 0.01 0.06 -0.04 -0.04 2.03 2.02 3gd0A1 PRO 313 HD2 0.03 0.06 -0.15 -0.04 3.68 3.58 3gd0A1 PRO 313 HD3 0.05 0.18 -0.44 -0.04 3.65 3.40 3gd0A1 VAL 317 HA 0.03 -0.02 0.25 -0.75 4.13 3.63 3gd0A1 VAL 317 HB 0.02 -0.01 0.05 -0.04 2.12 2.14 3gd0A1 VAL 317 HG13 0.06 0.00 0.04 -0.04 0.97 1.03 3gd0A1 VAL 317 HG23 -0.17 0.01 -0.20 -0.04 0.95 0.54 3gd0A1 ARG 318 H -0.06 0.27 -0.09 -0.55 8.46 8.03 3gd0A1 ARG 318 HA -0.13 0.01 0.29 -0.75 4.34 3.75 3gd0A1 ARG 318 HB2 -0.11 0.03 0.06 -0.04 1.90 1.83 3gd0A1 ARG 318 HB3 -0.05 0.00 -0.08 -0.04 1.80 1.63 3gd0A1 ARG 318 HG2 0.01 0.04 -0.25 -0.04 1.67 1.42 3gd0A1 ARG 318 HG3 -0.17 -0.05 -0.02 -0.04 1.67 1.38 3gd0A1 ARG 318 HD2 -0.16 -0.04 -0.00 -0.04 3.22 2.98 3gd0A1 ARG 318 HD3 -0.05 -0.04 -0.09 -0.04 3.22 3.00 3gd0A1 GLY 319 H -0.03 0.16 -0.55 -0.55 8.43 7.46 3gd0A1 GLY 319 HA2 -0.00 -0.09 0.13 -0.51 4.01 3.54 3gd0A1 GLY 319 HA3 -0.01 0.28 0.21 -0.51 4.01 3.98 3gd0A1 PRO 320 HA -0.22 0.04 0.46 -0.51 4.44 4.21 3gd0A1 PRO 320 HB2 -0.41 0.06 -0.03 -0.04 2.28 1.86 3gd0A1 PRO 320 HB3 -0.51 0.09 0.02 -0.04 2.02 1.58 3gd0A1 PRO 320 HG2 0.19 0.03 0.01 -0.04 2.03 2.21 3gd0A1 PRO 320 HG3 0.06 0.02 0.01 -0.04 2.03 2.07 3gd0A1 PRO 320 HD2 -0.05 0.23 -0.09 -0.04 3.68 3.73 3gd0A1 PRO 320 HD3 0.00 0.11 0.08 -0.04 3.65 3.80 3gd0A1 ILE 321 H -0.25 0.36 -0.34 -0.55 8.25 7.46 3gd0A1 ILE 321 HA -0.34 0.03 0.37 -0.75 4.18 3.48 3gd0A1 ILE 321 HB -0.24 0.11 0.06 -0.04 1.89 1.78 3gd0A1 ILE 321 HG12 -0.61 -0.02 -0.08 -0.04 1.49 0.74 3gd0A1 ILE 321 HG13 -0.60 0.07 -0.04 -0.04 1.21 0.60 3gd0A1 ILE 321 HG23 -0.79 -0.02 -0.21 -0.04 0.93 -0.13 3gd0A1 ILE 321 HD13 -0.91 -0.02 -0.17 -0.04 0.88 -0.26 3gd0A1 SER 322 H -0.02 0.78 -0.02 -0.55 8.46 8.65 3gd0A1 SER 322 HA -0.08 -0.04 0.37 -0.75 4.49 3.98 3gd0A1 SER 322 HB2 0.06 0.02 0.03 -0.04 3.95 4.02 3gd0A1 SER 322 HB3 0.20 0.03 -0.25 -0.04 3.93 3.87 3gd0A1 ARG 323 H -0.25 0.64 -0.15 -0.55 8.46 8.14 3gd0A1 ARG 323 HA -0.63 -0.01 0.48 -0.75 4.34 3.42 3gd0A1 ARG 323 HB2 -0.42 0.14 0.15 -0.04 1.90 1.72 3gd0A1 ARG 323 HB3 -0.76 -0.09 0.03 -0.04 1.80 0.94 3gd0A1 ARG 323 HG2 -2.25 -0.05 0.05 -0.04 1.67 -0.62 3gd0A1 ARG 323 HG3 -0.47 0.30 0.05 -0.04 1.67 1.50 3gd0A1 ARG 323 HD2 -0.82 -0.08 -0.00 -0.04 3.22 2.27 3gd0A1 ARG 323 HD3 -0.17 0.01 -0.03 -0.04 3.22 3.00 3gd0A1 THR 324 H -0.23 0.51 -0.21 -0.55 8.28 7.80 3gd0A1 THR 324 HA -0.09 -0.02 0.48 -0.75 4.39 4.00 3gd0A1 THR 324 HB -0.20 0.19 0.11 -0.04 4.32 4.39 3gd0A1 THR 324 HG23 -0.10 -0.02 -0.26 -0.04 1.22 0.79 3gd0A1 LEU 325 H -0.18 0.59 -0.12 -0.55 8.37 8.11 3gd0A1 LEU 325 HA -0.17 -0.01 0.38 -0.75 4.35 3.80 3gd0A1 LEU 325 HB2 -0.19 0.12 0.09 -0.04 1.64 1.61 3gd0A1 LEU 325 HB3 -0.08 -0.08 -0.04 -0.04 1.64 1.40 3gd0A1 LEU 325 HG -0.36 0.25 -0.04 -0.04 1.64 1.45 3gd0A1 LEU 325 HD13 -0.74 -0.01 -0.13 -0.04 0.93 0.00 3gd0A1 LEU 325 HD23 -0.15 -0.02 -0.12 -0.04 0.89 0.55 3gd0A1 CYS 326 H 0.03 0.76 -0.13 -0.55 8.50 8.62 3gd0A1 CYS 326 HA 0.21 -0.03 0.41 -0.75 4.58 4.42 3gd0A1 CYS 326 HB2 0.30 0.17 0.22 -0.04 2.97 3.61 3gd0A1 CYS 326 HB3 0.41 -0.12 0.02 -0.04 2.97 3.24 3gd0A1 ALA 327 H 0.12 0.57 -0.16 -0.55 8.40 8.39 3gd0A1 ALA 327 HA 0.20 -0.05 0.36 -0.75 4.34 4.11 3gd0A1 ALA 327 HB3 0.17 0.06 0.10 -0.04 1.41 1.70 3gd0A1 GLY 328 H -0.06 0.57 -0.19 -0.55 8.43 8.21 3gd0A1 GLY 328 HA2 -0.15 -0.03 0.36 -0.51 4.01 3.69 3gd0A1 GLY 328 HA3 -0.16 0.11 0.26 -0.51 4.01 3.71 3gd0A1 PHE 329 H 0.03 0.67 -0.15 -0.55 8.34 8.33 3gd0A1 PHE 329 HA 0.09 -0.01 0.63 -0.75 4.62 4.58 3gd0A1 PHE 329 HB2 -0.02 0.16 0.16 -0.04 3.15 3.41 3gd0A1 PHE 329 HB3 -0.04 -0.08 -0.05 -0.04 3.06 2.85 3gd0A1 PHE 329 HD2 0.17 0.01 -0.07 -0.04 7.28 7.35 3gd0A1 PHE 329 HE2 0.22 0.00 -0.07 -0.04 7.38 7.48 3gd0A1 PHE 329 HZ 0.72 0.03 -0.05 -0.04 7.32 7.98 3gd0A1 ASN 330 H -0.12 0.70 0.02 -0.55 8.53 8.58 3gd0A1 ASN 330 HA -0.05 -0.03 0.42 -0.75 4.76 4.34 3gd0A1 ASN 330 HB2 -1.11 0.13 0.13 -0.04 2.88 1.99 3gd0A1 ASN 330 HB3 -0.74 -0.07 -0.02 -0.04 2.79 1.93 3gd0A1 ASN 330 HD21 -0.03 0.41 0.03 -0.04 7.03 7.40 3gd0A1 ASN 330 HD22 -0.29 0.32 0.03 -0.04 7.74 7.77 3gd0A1 ARG 331 H -0.30 0.57 -0.22 -0.55 8.46 7.95 3gd0A1 ARG 331 HA -0.80 0.09 0.66 -0.75 4.34 3.54 3gd0A1 ARG 331 HB2 -0.59 0.08 0.05 -0.04 1.90 1.40 3gd0A1 ARG 331 HB3 -1.06 -0.08 0.12 -0.04 1.80 0.74 3gd0A1 ARG 331 HG2 -1.16 -0.00 -0.02 -0.04 1.67 0.45 3gd0A1 ARG 331 HG3 -0.42 -0.08 -0.05 -0.04 1.67 1.08 3gd0A1 ARG 331 HD2 -0.48 0.04 -0.09 -0.04 3.22 2.64 3gd0A1 ARG 331 HD3 -2.28 -0.03 -0.05 -0.04 3.22 0.82 3gd0A1 THR 332 H -0.18 0.26 -0.65 -0.55 8.28 7.16 3gd0A1 THR 332 HA -0.18 0.04 0.43 -0.75 4.39 3.92 3gd0A1 THR 332 HB -0.52 -0.06 0.26 -0.04 4.32 3.95 3gd0A1 THR 332 HG23 -0.69 0.07 0.12 -0.04 1.22 0.68 3gd0A1 THR 333 H -0.07 0.50 0.08 -0.55 8.28 8.23 3gd0A1 THR 333 HA 0.04 0.27 0.94 -0.75 4.39 4.89 3gd0A1 THR 333 HB 0.05 -0.02 0.06 -0.04 4.32 4.37 3gd0A1 THR 333 HG23 0.03 0.05 -0.25 -0.04 1.22 1.01 3gd0A1 LEU 334 H 0.08 0.16 -0.03 -0.55 8.37 8.04 3gd0A1 LEU 334 HA -0.03 0.21 0.26 -0.75 4.35 4.04 3gd0A1 LEU 334 HB2 -0.10 -0.06 -0.02 -0.04 1.64 1.43 3gd0A1 LEU 334 HB3 -0.11 0.07 -0.11 -0.04 1.64 1.45 3gd0A1 LEU 334 HG -0.30 -0.11 -0.29 -0.04 1.64 0.90 3gd0A1 LEU 334 HD13 -1.16 0.02 -0.09 -0.04 0.93 -0.34 3gd0A1 LEU 334 HD23 -0.22 0.03 -0.07 -0.04 0.89 0.59 3gd0A1 LEU 335 H 0.16 0.04 -0.22 -0.55 8.37 7.80 3gd0A1 LEU 335 HA -0.03 0.12 0.41 -0.75 4.35 4.09 3gd0A1 LEU 335 HB2 0.14 -0.05 0.00 -0.04 1.64 1.69 3gd0A1 LEU 335 HB3 0.03 0.06 -0.18 -0.04 1.64 1.51 3gd0A1 LEU 335 HG -0.36 -0.05 -0.09 -0.04 1.64 1.10 3gd0A1 LEU 335 HD13 0.02 -0.00 -0.05 -0.04 0.93 0.85 3gd0A1 LEU 335 HD23 -0.15 0.02 -0.15 -0.04 0.89 0.57 3gd0A1 ALA 336 H 0.09 0.06 -0.41 -0.55 8.40 7.60 3gd0A1 ALA 336 HA 0.03 0.07 0.31 -0.75 4.34 4.00 3gd0A1 ALA 336 HB3 0.05 -0.00 0.04 -0.04 1.41 1.47 3gd0A1 ASN 337 H 0.06 0.37 -0.31 -0.55 8.53 8.10 3gd0A1 ASN 337 HA 0.05 0.20 0.97 -0.75 4.76 5.22 3gd0A1 ASN 337 HB2 0.06 -0.03 -0.14 -0.04 2.88 2.73 3gd0A1 ASN 337 HB3 0.05 0.06 0.07 -0.04 2.79 2.93 3gd0A1 ASN 337 HD21 0.08 0.36 -0.12 -0.04 7.03 7.30 3gd0A1 ASN 337 HD22 0.07 -0.14 -0.09 -0.04 7.74 7.54 3gd0A1 PRO 338 HA -0.03 0.14 0.50 -0.51 4.44 4.54 3gd0A1 PRO 338 HB2 -0.20 0.06 0.16 -0.04 2.28 2.25 3gd0A1 PRO 338 HB3 0.11 0.07 0.07 -0.04 2.02 2.24 3gd0A1 PRO 338 HG2 -0.42 -0.01 -0.05 -0.04 2.03 1.51 3gd0A1 PRO 338 HG3 -0.07 0.02 0.03 -0.04 2.03 1.97 3gd0A1 PRO 338 HD2 0.04 0.05 0.18 -0.04 3.68 3.91 3gd0A1 PRO 338 HD3 0.02 0.24 0.02 -0.04 3.65 3.89 3gd0A1 HIS 339 H 0.02 0.08 -0.43 -0.55 8.41 7.54 3gd0A1 HIS 339 HA -0.01 0.25 0.98 -0.75 4.63 5.10 3gd0A1 HIS 339 HB2 0.01 -0.06 0.12 -0.04 3.26 3.29 3gd0A1 HIS 339 HB3 0.01 0.05 0.01 -0.04 3.20 3.22 3gd0A1 HIS 339 HD2 0.01 0.02 -0.03 -0.04 6.97 6.93 3gd0A1 HIS 339 HE1 0.01 -0.02 -0.03 -0.04 7.75 7.67 3gd0A1 GLN 340 H 0.01 0.73 0.16 -0.55 8.47 8.83 3gd0A1 GLN 340 HA 0.02 0.02 0.45 -0.75 4.36 4.10 3gd0A1 GLN 340 HB2 -0.06 0.04 -0.03 -0.04 2.15 2.06 3gd0A1 GLN 340 HB3 -0.06 -0.07 -0.08 -0.04 2.02 1.77 3gd0A1 GLN 340 HG2 -0.06 0.11 -0.29 -0.04 2.40 2.12 3gd0A1 GLN 340 HG3 -0.12 -0.05 -0.12 -0.04 2.39 2.05 3gd0A1 GLN 340 HE21 -0.00 -0.15 -0.23 -0.04 6.97 6.54 3gd0A1 GLN 340 HE22 -0.01 0.57 -0.07 -0.04 7.69 8.14 3gd0A1 PRO 341 HA 0.00 -0.02 0.32 -0.51 4.44 4.23 3gd0A1 PRO 341 HB2 0.06 0.12 -0.05 -0.04 2.28 2.37 3gd0A1 PRO 341 HB3 -0.00 -0.05 0.06 -0.04 2.02 1.99 3gd0A1 PRO 341 HG2 0.04 0.09 -0.03 -0.04 2.03 2.09 3gd0A1 PRO 341 HG3 0.00 -0.05 0.03 -0.04 2.03 1.97 3gd0A1 PRO 341 HD2 0.01 0.25 0.27 -0.04 3.68 4.17 3gd0A1 PRO 341 HD3 -0.04 -0.01 0.09 -0.04 3.65 3.65 3gd0A1 ASP 342 H 0.09 0.03 0.06 -0.55 8.40 8.03 3gd0A1 ASP 342 HA 0.10 0.10 0.49 -0.75 4.63 4.57 3gd0A1 ASP 342 HB2 0.38 0.02 0.00 -0.04 2.71 3.07 3gd0A1 ASP 342 HB3 0.20 0.01 0.12 -0.04 2.70 2.99 3gd0A1 ARG 343 H 0.07 0.08 0.21 -0.55 8.46 8.26 3gd0A1 ARG 343 HA 0.07 0.24 0.83 -0.75 4.34 4.73 3gd0A1 ARG 343 HB2 0.03 -0.05 0.11 -0.04 1.90 1.95 3gd0A1 ARG 343 HB3 0.03 -0.02 0.14 -0.04 1.80 1.91 3gd0A1 ARG 343 HG2 0.04 0.06 -0.04 -0.04 1.67 1.69 3gd0A1 ARG 343 HG3 0.05 0.10 -0.04 -0.04 1.67 1.73 3gd0A1 ARG 343 HD2 0.01 -0.04 0.02 -0.04 3.22 3.17 3gd0A1 ARG 343 HD3 0.01 0.04 -0.02 -0.04 3.22 3.21 3gd0A1 SER 344 H 0.03 0.13 0.04 -0.55 8.46 8.12 3gd0A1 SER 344 HA 0.02 0.24 0.43 -0.75 4.49 4.43 3gd0A1 SER 344 HB2 -0.06 0.03 0.18 -0.04 3.95 4.06 3gd0A1 SER 344 HB3 -0.02 0.11 -0.15 -0.04 3.93 3.82 3gd0A1 ALA 345 H -0.29 0.23 0.12 -0.55 8.40 7.91 3gd0A1 ALA 345 HA -2.59 0.15 0.57 -0.75 4.34 1.70 3gd0A1 ALA 345 HB3 -0.83 0.05 0.08 -0.04 1.41 0.67 3gd0A1 ALA 346 H -0.27 0.04 -0.31 -0.55 8.40 7.32 3gd0A1 ALA 346 HA -0.15 0.12 0.22 -0.75 4.34 3.77 3gd0A1 ALA 346 HB3 -0.08 0.00 0.03 -0.04 1.41 1.32 3gd0A1 GLY 347 H -0.13 0.05 -0.35 -0.55 8.43 7.46 3gd0A1 GLY 347 HA2 0.00 0.19 0.68 -0.51 4.01 4.38 3gd0A1 GLY 347 HA3 0.03 -0.05 0.26 -0.51 4.01 3.74 3gd0A1 PHE 348 H -0.06 0.47 -0.30 -0.55 8.34 7.89 3gd0A1 PHE 348 HA -0.29 0.09 0.44 -0.75 4.62 4.11 3gd0A1 PHE 348 HB2 -0.18 0.12 0.08 -0.04 3.15 3.13 3gd0A1 PHE 348 HB3 -0.99 -0.05 0.01 -0.04 3.06 1.99 3gd0A1 PHE 348 HD2 -0.25 -0.01 -0.10 -0.04 7.28 6.87 3gd0A1 PHE 348 HE2 -0.36 0.01 -0.05 -0.04 7.38 6.94 3gd0A1 PHE 348 HZ 0.06 0.05 -0.18 -0.04 7.32 7.20 3gd0A1 TYR 349 H -0.28 0.63 0.28 -0.55 8.29 8.37 3gd0A1 TYR 349 HA -0.10 -0.06 0.25 -0.75 4.56 3.90 3gd0A1 TYR 349 HB2 0.00 0.21 -0.19 -0.04 3.06 3.04 3gd0A1 TYR 349 HB3 -0.07 -0.05 0.07 -0.04 2.98 2.89 3gd0A1 TYR 349 HD2 -0.03 0.05 -0.08 -0.04 7.15 7.05 3gd0A1 TYR 349 HE2 -0.07 0.04 -0.08 -0.04 6.85 6.70 3gd0A1 GLN 350 H 0.02 0.16 -0.16 -0.55 8.47 7.95 3gd0A1 GLN 350 HA 0.05 0.20 0.66 -0.75 4.36 4.51 3gd0A1 GLN 350 HB2 0.03 -0.02 -0.02 -0.04 2.15 2.09 3gd0A1 GLN 350 HB3 0.03 -0.07 0.03 -0.04 2.02 1.97 3gd0A1 GLN 350 HG2 0.05 0.16 -0.54 -0.04 2.40 2.03 3gd0A1 GLN 350 HG3 0.03 -0.05 -0.09 -0.04 2.39 2.24 3gd0A1 GLN 350 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 3gd0A1 GLN 350 HE22 0.02 -0.07 -0.01 -0.04 7.69 7.59 3gd0A1 GLU 351 H -0.03 0.02 -0.05 -0.55 8.60 8.00 3gd0A1 GLU 351 HA 0.03 0.10 0.52 -0.75 4.29 4.18 3gd0A1 GLU 351 HB2 -0.15 0.01 0.05 -0.04 2.09 1.95 3gd0A1 GLU 351 HB3 -0.03 -0.05 0.03 -0.04 1.99 1.89 3gd0A1 GLU 351 HG2 0.04 0.01 0.05 -0.04 2.34 2.41 3gd0A1 GLU 351 HG3 -0.10 -0.01 0.10 -0.04 2.34 2.29 3gd0A1 PRO 352 HA 0.10 0.12 0.35 -0.51 4.44 4.50 3gd0A1 PRO 352 HB2 0.08 -0.00 -0.02 -0.04 2.28 2.30 3gd0A1 PRO 352 HB3 0.06 0.04 0.11 -0.04 2.02 2.19 3gd0A1 PRO 352 HG2 0.08 -0.05 0.10 -0.04 2.03 2.12 3gd0A1 PRO 352 HG3 0.06 0.04 0.09 -0.04 2.03 2.18 3gd0A1 PRO 352 HD2 0.06 0.04 0.24 -0.04 3.68 3.98 3gd0A1 PRO 352 HD3 0.05 0.20 0.20 -0.04 3.65 4.06 3gd0A1 VAL 353 H 0.07 0.09 -0.18 -0.55 8.24 7.67 3gd0A1 VAL 353 HA 0.24 0.20 0.89 -0.75 4.13 4.71 3gd0A1 VAL 353 HB 0.11 -0.11 0.13 -0.04 2.12 2.22 3gd0A1 VAL 353 HG13 0.22 0.06 -0.06 -0.04 0.97 1.16 3gd0A1 VAL 353 HG23 0.16 0.00 -0.03 -0.04 0.95 1.05 3gd0A1 THR 354 H -0.19 0.34 0.15 -0.55 8.28 8.03 3gd0A1 THR 354 HA -0.10 0.11 0.55 -0.75 4.39 4.19 3gd0A1 THR 354 HB -0.16 0.12 -0.43 -0.04 4.32 3.81 3gd0A1 THR 354 HG23 -0.54 0.02 -0.40 -0.04 1.22 0.26 3gd0A1 ASN 355 H 0.09 0.53 0.17 -0.55 8.53 8.78 3gd0A1 ASN 355 HA 0.34 0.06 0.80 -0.75 4.76 5.20 3gd0A1 ASN 355 HB2 0.27 0.03 0.21 -0.04 2.88 3.35 3gd0A1 ASN 355 HB3 0.23 0.12 0.26 -0.04 2.79 3.36 3gd0A1 ASN 355 HD21 0.24 0.10 0.07 -0.04 7.03 7.39 3gd0A1 ASN 355 HD22 0.18 0.04 0.04 -0.04 7.74 7.95 3gd0A1 HIS 356 H -0.75 0.36 0.17 -0.55 8.41 7.65 3gd0A1 HIS 356 HA -0.41 0.13 0.31 -0.75 4.63 3.91 3gd0A1 HIS 356 HB2 -2.22 -0.03 0.12 -0.04 3.26 1.09 3gd0A1 HIS 356 HB3 -0.80 0.06 -0.00 -0.04 3.20 2.41 3gd0A1 HIS 356 HD2 -0.58 -0.03 0.13 -0.04 6.97 6.44 3gd0A1 HIS 356 HE1 -0.12 0.10 -0.06 -0.04 7.75 7.63 3gd0A1 TYR 357 H -0.07 0.05 -0.13 -0.55 8.29 7.60 3gd0A1 TYR 357 HA -0.15 0.13 0.42 -0.75 4.56 4.20 3gd0A1 TYR 357 HB2 0.23 0.05 0.11 -0.04 3.06 3.41 3gd0A1 TYR 357 HB3 0.11 -0.10 0.14 -0.04 2.98 3.08 3gd0A1 TYR 357 HD2 0.03 0.01 -0.04 -0.04 7.15 7.10 3gd0A1 TYR 357 HE2 0.04 0.14 -0.15 -0.04 6.85 6.84 3gd0A1 ALA 358 H 0.14 0.06 -0.22 -0.55 8.40 7.84 3gd0A1 ALA 358 HA 0.01 0.02 0.38 -0.75 4.34 3.99 3gd0A1 ALA 358 HB3 0.33 0.05 -0.00 -0.04 1.41 1.74 3gd0A1 ARG 359 H -0.51 0.46 -0.17 -0.55 8.46 7.69 3gd0A1 ARG 359 HA -1.00 0.03 0.30 -0.75 4.34 2.91 3gd0A1 ARG 359 HB2 -0.66 0.00 0.03 -0.04 1.90 1.23 3gd0A1 ARG 359 HB3 -0.31 0.04 0.13 -0.04 1.80 1.63 3gd0A1 ARG 359 HG2 -0.14 -0.03 -0.30 -0.04 1.67 1.16 3gd0A1 ARG 359 HG3 -0.12 0.03 -0.03 -0.04 1.67 1.51 3gd0A1 ARG 359 HD2 0.01 0.04 -0.04 -0.04 3.22 3.19 3gd0A1 ARG 359 HD3 -0.02 0.08 -0.03 -0.04 3.22 3.21 3gd0A1 ILE 360 H -0.26 0.61 -0.16 -0.55 8.25 7.89 3gd0A1 ILE 360 HA -0.07 0.03 0.34 -0.75 4.18 3.72 3gd0A1 ILE 360 HB -0.28 0.09 0.15 -0.04 1.89 1.80 3gd0A1 ILE 360 HG12 -0.12 -0.03 -0.03 -0.04 1.49 1.27 3gd0A1 ILE 360 HG13 -0.17 0.01 0.03 -0.04 1.21 1.04 3gd0A1 ILE 360 HG23 -0.26 -0.00 -0.09 -0.04 0.93 0.54 3gd0A1 ILE 360 HD13 -0.23 -0.03 -0.22 -0.04 0.88 0.35 3gd0A1 ILE 361 H -0.30 0.50 -0.15 -0.55 8.25 7.75 3gd0A1 ILE 361 HA -0.25 0.02 0.39 -0.75 4.18 3.59 3gd0A1 ILE 361 HB -0.30 0.03 0.10 -0.04 1.89 1.67 3gd0A1 ILE 361 HG12 -0.78 -0.04 -0.01 -0.04 1.49 0.63 3gd0A1 ILE 361 HG13 -0.73 0.05 0.04 -0.04 1.21 0.53 3gd0A1 ILE 361 HG23 -0.14 -0.02 -0.17 -0.04 0.93 0.55 3gd0A1 ILE 361 HD13 -0.97 -0.03 -0.09 -0.04 0.88 -0.25 3gd0A1 HIS 362 H -0.01 0.61 -0.13 -0.55 8.41 8.33 3gd0A1 HIS 362 HA -0.00 -0.02 0.20 -0.75 4.63 4.05 3gd0A1 HIS 362 HB2 -0.03 0.12 0.12 -0.04 3.26 3.43 3gd0A1 HIS 362 HB3 0.05 0.05 -0.01 -0.04 3.20 3.24 3gd0A1 HIS 362 HD2 0.06 0.15 -0.02 -0.04 6.97 7.12 3gd0A1 HIS 362 HE1 0.09 0.27 0.22 -0.04 7.75 8.29 3gd0A1 ALA 363 H -0.01 0.44 -0.30 -0.55 8.40 7.99 3gd0A1 ALA 363 HA -0.05 0.03 0.38 -0.75 4.34 3.94 3gd0A1 ALA 363 HB3 -0.14 0.01 0.08 -0.04 1.41 1.31 3gd0A1 HIS 364 H 0.04 0.37 -0.42 -0.55 8.41 7.85 3gd0A1 HIS 364 HA -0.02 0.15 0.75 -0.75 4.63 4.75 3gd0A1 HIS 364 HB2 -0.10 0.09 0.09 -0.04 3.26 3.30 3gd0A1 HIS 364 HB3 -0.02 -0.20 0.17 -0.04 3.20 3.11 3gd0A1 HIS 364 HD2 -0.02 -0.08 -0.06 -0.04 6.97 6.77 3gd0A1 HIS 364 HE1 -0.10 -0.01 -0.13 -0.04 7.75 7.46 3gd0A1 MET 365 H 0.01 0.44 -0.24 -0.55 8.47 8.14 3gd0A1 MET 365 HA 0.02 0.03 0.77 -0.75 4.52 4.59 3gd0A1 MET 365 HB2 -0.01 0.14 0.06 -0.04 2.15 2.30 3gd0A1 MET 365 HB3 -0.01 -0.21 0.00 -0.04 2.03 1.77 3gd0A1 MET 365 HG2 -0.03 0.13 -0.10 -0.04 2.63 2.59 3gd0A1 MET 365 HG3 -0.10 0.08 -0.08 -0.04 2.56 2.42 3gd0A1 MET 365 HE3 -0.05 -0.00 -0.02 -0.04 2.10 1.99 3gd0A1 ALA 366 H 0.01 0.66 0.31 -0.55 8.40 8.84 3gd0A1 ALA 366 HA 0.01 0.08 0.33 -0.75 4.34 4.01 3gd0A1 ALA 366 HB3 0.01 -0.02 -0.01 -0.04 1.41 1.35 3gd0A1 ASP 367 H 0.01 0.04 -0.15 -0.55 8.40 7.75 3gd0A1 ASP 367 HA 0.02 0.26 0.86 -0.75 4.63 5.01 3gd0A1 ASP 367 HB2 0.03 0.06 0.19 -0.04 2.71 2.95 3gd0A1 ASP 367 HB3 0.02 -0.02 0.06 -0.04 2.70 2.72 3gd0A1 GLY 368 H 0.03 0.38 -0.44 -0.55 8.43 7.85 3gd0A1 GLY 368 HA2 0.08 0.31 0.35 -0.51 4.01 4.24 3gd0A1 GLY 368 HA3 0.08 0.04 0.42 -0.51 4.01 4.04 3gd0A1 LYS 369 H 0.07 -0.12 -0.60 -0.55 8.42 7.21 3gd0A1 LYS 369 HA 0.27 0.36 0.80 -0.75 4.32 4.99 3gd0A1 LYS 369 HB2 0.05 -0.19 -0.14 -0.04 1.87 1.55 3gd0A1 LYS 369 HB3 0.06 -0.06 -0.57 -0.04 1.79 1.18 3gd0A1 LYS 369 HG2 0.16 0.07 -0.16 -0.04 1.46 1.49 3gd0A1 LYS 369 HG3 0.10 0.14 -0.15 -0.04 1.46 1.51 3gd0A1 LYS 369 HD2 0.06 -0.14 -0.05 -0.04 1.69 1.51 3gd0A1 LYS 369 HD3 0.06 0.16 -0.16 -0.04 1.68 1.71 3gd0A1 LYS 369 HE2 0.05 -0.06 0.03 -0.04 2.99 2.97 3gd0A1 LYS 369 HE3 0.08 0.16 0.04 -0.04 2.99 3.23 3gd0A1 ALA 370 H 0.03 0.70 0.39 -0.55 8.40 8.98 3gd0A1 ALA 370 HA -0.12 0.07 0.54 -0.75 4.34 4.07 3gd0A1 ALA 370 HB3 -0.68 0.05 -0.23 -0.04 1.41 0.51 3gd0A1 TYR 371 H 0.05 0.25 0.04 -0.55 8.29 8.08 3gd0A1 TYR 371 HA -0.03 0.17 0.87 -0.75 4.56 4.81 3gd0A1 TYR 371 HB2 0.00 0.29 0.35 -0.04 3.06 3.66 3gd0A1 TYR 371 HB3 0.02 -0.18 0.31 -0.04 2.98 3.08 3gd0A1 TYR 371 HD2 -0.01 0.16 -0.01 -0.04 7.15 7.25 3gd0A1 TYR 371 HE2 0.02 0.09 -0.06 -0.04 6.85 6.85 3gd0A1 GLY 372 H 0.12 0.27 -0.19 -0.55 8.43 8.08 3gd0A1 GLY 372 HA2 0.19 0.14 0.36 -0.51 4.01 4.19 3gd0A1 GLY 372 HA3 0.27 0.04 0.22 -0.51 4.01 4.03 3gd0A1 PHE 373 H -0.03 0.17 -0.00 -0.55 8.34 7.93 3gd0A1 PHE 373 HA 0.15 0.24 0.42 -0.75 4.62 4.67 3gd0A1 PHE 373 HB2 0.15 0.08 0.14 -0.04 3.15 3.48 3gd0A1 PHE 373 HB3 0.21 0.10 0.02 -0.04 3.06 3.34 3gd0A1 PHE 373 HD2 0.22 -0.05 -0.21 -0.04 7.28 7.20 3gd0A1 PHE 373 HE2 0.18 0.08 -0.19 -0.04 7.38 7.41 3gd0A1 PHE 373 HZ 0.01 0.12 -0.09 -0.04 7.32 7.32 3gd0A1 ALA 374 H 0.18 0.30 0.08 -0.55 8.40 8.41 3gd0A1 ALA 374 HA -0.10 0.04 0.13 -0.75 4.34 3.65 3gd0A1 ALA 374 HB3 -0.33 0.04 0.06 -0.04 1.41 1.14 3gd0A1 PHE 375 H 0.21 0.10 -0.27 -0.55 8.34 7.83 3gd0A1 PHE 375 HA 0.06 0.22 0.93 -0.75 4.62 5.07 3gd0A1 PHE 375 HB2 0.32 0.01 0.09 -0.04 3.15 3.52 3gd0A1 PHE 375 HB3 0.13 0.01 0.23 -0.04 3.06 3.39 3gd0A1 PHE 375 HD2 0.12 -0.02 0.03 -0.04 7.28 7.37 3gd0A1 PHE 375 HE2 0.08 0.08 -0.00 -0.04 7.38 7.49 3gd0A1 PHE 375 HZ 0.06 0.06 0.04 -0.04 7.32 7.44 3gd0A1 ASP 376 H -0.41 0.46 -0.29 -0.55 8.40 7.61 3gd0A1 ASP 376 HA -0.45 0.13 0.48 -0.75 4.63 4.04 3gd0A1 ASP 376 HB2 -0.40 0.02 0.18 -0.04 2.71 2.47 3gd0A1 ASP 376 HB3 -0.31 0.11 0.06 -0.04 2.70 2.52 3gd0A1 ASP 377 H 0.02 0.10 -0.45 -0.55 8.40 7.53 3gd0A1 ASP 377 HA -0.14 -0.02 0.57 -0.75 4.63 4.28 3gd0A1 ASP 377 HB2 -0.05 0.01 0.08 -0.04 2.71 2.70 3gd0A1 ASP 377 HB3 0.02 0.01 0.04 -0.04 2.70 2.73 3gd0A1 VAL 378 H 0.05 0.46 -0.28 -0.55 8.24 7.91 3gd0A1 VAL 378 HA -0.05 0.01 0.56 -0.75 4.13 3.90 3gd0A1 VAL 378 HB 0.11 0.06 0.14 -0.04 2.12 2.38 3gd0A1 VAL 378 HG13 0.03 0.00 -0.10 -0.04 0.97 0.86 3gd0A1 VAL 378 HG23 -0.00 0.03 -0.01 -0.04 0.95 0.93 3gd0A1 GLY 379 H -0.02 0.12 0.16 -0.55 8.43 8.15 3gd0A1 GLY 379 HA2 0.08 0.05 0.29 -0.51 4.01 3.92 3gd0A1 GLY 379 HA3 0.10 0.11 0.46 -0.51 4.01 4.17 3gd0A1 HIS 380 H -0.25 0.46 -0.41 -0.55 8.41 7.67 3gd0A1 HIS 380 HA -0.06 -0.04 0.34 -0.75 4.63 4.12 3gd0A1 HIS 380 HB2 -0.14 0.20 -0.09 -0.04 3.26 3.19 3gd0A1 HIS 380 HB3 -0.06 -0.02 0.20 -0.04 3.20 3.28 3gd0A1 HIS 380 HD2 0.02 -0.01 0.03 -0.04 6.97 6.97 3gd0A1 HIS 380 HE1 0.02 -0.05 -0.00 -0.04 7.75 7.68 3gd0A1 HIS 381 H -0.01 0.28 -0.08 -0.55 8.41 8.06 3gd0A1 HIS 381 HA 0.10 0.24 0.89 -0.75 4.63 5.11 3gd0A1 HIS 381 HB2 0.11 0.14 0.08 -0.04 3.26 3.56 3gd0A1 HIS 381 HB3 0.15 -0.04 0.20 -0.04 3.20 3.47 3gd0A1 HIS 381 HD2 0.30 0.14 -0.07 -0.04 6.97 7.29 3gd0A1 HIS 381 HE1 -0.02 -0.12 -0.05 -0.04 7.75 7.51 3gd0A1 GLU 382 H -0.05 0.03 -0.16 -0.55 8.60 7.87 3gd0A1 GLU 382 HA -0.22 0.41 0.59 -0.75 4.29 4.32 3gd0A1 GLU 382 HB2 -1.62 -0.03 -0.12 -0.04 2.09 0.28 3gd0A1 GLU 382 HB3 -0.49 -0.05 -0.38 -0.04 1.99 1.03 3gd0A1 GLU 382 HG2 -0.15 -0.03 -0.46 -0.04 2.34 1.65 3gd0A1 GLU 382 HG3 -0.25 -0.00 -0.15 -0.04 2.34 1.89 3gd0A1 SER 383 H -0.16 0.08 -0.25 -0.55 8.46 7.59 3gd0A1 SER 383 HA 0.02 0.18 0.52 -0.75 4.49 4.46 3gd0A1 SER 383 HB2 0.02 -0.07 0.09 -0.04 3.95 3.95 3gd0A1 SER 383 HB3 -0.01 0.10 -0.21 -0.04 3.93 3.76 3gd0A1 LEU 384 H 0.07 0.58 0.04 -0.55 8.37 8.51 3gd0A1 LEU 384 HA 0.20 0.19 0.84 -0.75 4.35 4.82 3gd0A1 LEU 384 HB2 0.31 -0.06 -0.19 -0.04 1.64 1.65 3gd0A1 LEU 384 HB3 0.18 -0.00 -0.08 -0.04 1.64 1.70 3gd0A1 LEU 384 HG 0.31 0.15 -0.08 -0.04 1.64 1.98 3gd0A1 LEU 384 HD13 0.36 -0.03 -0.15 -0.04 0.93 1.07 3gd0A1 LEU 384 HD23 0.35 -0.02 -0.41 -0.04 0.89 0.76 3gd0A1 VAL 385 H 0.17 0.63 0.27 -0.55 8.24 8.75 3gd0A1 VAL 385 HA 0.11 0.21 0.80 -0.75 4.13 4.50 3gd0A1 VAL 385 HB 0.04 -0.02 -0.00 -0.04 2.12 2.09 3gd0A1 VAL 385 HG13 0.06 -0.02 -0.32 -0.04 0.97 0.65 3gd0A1 VAL 385 HG23 0.07 0.01 -0.20 -0.04 0.95 0.80 3gd0A1 HIS 386 H 0.04 0.26 0.18 -0.55 8.41 8.35 3gd0A1 HIS 386 HA -0.25 0.36 0.98 -0.75 4.63 4.97 3gd0A1 HIS 386 HB2 -0.33 -0.00 -0.09 -0.04 3.26 2.79 3gd0A1 HIS 386 HB3 -0.11 -0.06 -0.02 -0.04 3.20 2.97 3gd0A1 HIS 386 HD2 -0.13 -0.05 -0.15 -0.04 6.97 6.60 3gd0A1 HIS 386 HE1 -1.29 0.20 -0.18 -0.04 7.75 6.43 3gd0A1 ASP 387 H -0.69 0.55 0.35 -0.55 8.40 8.06 3gd0A1 ASP 387 HA -0.64 0.11 0.39 -0.75 4.63 3.74 3gd0A1 ASP 387 HB2 -0.22 0.11 -0.01 -0.04 2.71 2.55 3gd0A1 ASP 387 HB3 -0.24 0.03 -0.01 -0.04 2.70 2.44 3gd0A1 GLY 388 H -0.34 0.11 0.14 -0.55 8.43 7.80 3gd0A1 GLY 388 HA2 -0.23 0.40 0.57 -0.51 4.01 4.25 3gd0A1 GLY 388 HA3 -0.12 0.01 0.34 -0.51 4.01 3.72 3gd0A1 ASP 389 H -0.16 -0.12 -0.23 -0.55 8.40 7.34 3gd0A1 ASP 389 HA -0.05 0.34 0.78 -0.75 4.63 4.94 3gd0A1 ASP 389 HB2 -0.04 0.04 -0.12 -0.04 2.71 2.54 3gd0A1 ASP 389 HB3 -0.06 -0.22 0.18 -0.04 2.70 2.56 3gd0A1 PRO 390 HA -0.08 -0.01 0.36 -0.51 4.44 4.20 3gd0A1 PRO 390 HB2 -0.04 0.07 -0.08 -0.04 2.28 2.18 3gd0A1 PRO 390 HB3 -0.10 -0.06 0.05 -0.04 2.02 1.87 3gd0A1 PRO 390 HG2 -0.02 0.12 -0.05 -0.04 2.03 2.04 3gd0A1 PRO 390 HG3 -0.04 0.00 -0.08 -0.04 2.03 1.87 3gd0A1 PRO 390 HD2 -0.05 0.27 -0.10 -0.04 3.68 3.75 3gd0A1 PRO 390 HD3 -0.15 0.13 -0.24 -0.04 3.65 3.34 3gd0A1 ARG 391 H -0.04 0.66 0.31 -0.55 8.46 8.83 3gd0A1 ARG 391 HA -0.02 0.17 0.86 -0.75 4.34 4.59 3gd0A1 ARG 391 HB2 -0.02 -0.01 -0.00 -0.04 1.90 1.83 3gd0A1 ARG 391 HB3 -0.02 -0.06 0.06 -0.04 1.80 1.74 3gd0A1 ARG 391 HG2 -0.02 0.00 -0.01 -0.04 1.67 1.60 3gd0A1 ARG 391 HG3 -0.03 0.04 -0.22 -0.04 1.67 1.41 3gd0A1 ARG 391 HD2 -0.02 -0.04 -0.04 -0.04 3.22 3.08 3gd0A1 ARG 391 HD3 -0.02 -0.07 0.00 -0.04 3.22 3.10 3gd0A1 GLY 392 H -0.03 0.28 0.27 -0.55 8.43 8.41 3gd0A1 GLY 392 HA2 -0.02 0.14 0.46 -0.51 4.01 4.08 3gd0A1 GLY 392 HA3 -0.02 0.04 0.39 -0.51 4.01 3.91 3gd0A1 ALA 393 H -0.02 0.79 0.42 -0.55 8.40 9.04 3gd0A1 ALA 393 HA -0.01 0.12 0.84 -0.75 4.34 4.54 3gd0A1 ALA 393 HB3 -0.02 0.01 0.02 -0.04 1.41 1.38 3gd0A1 SER 394 H 0.01 0.53 0.34 -0.55 8.46 8.79 3gd0A1 SER 394 HA -0.01 0.23 0.93 -0.75 4.49 4.88 3gd0A1 SER 394 HB2 -0.00 0.06 -0.02 -0.04 3.95 3.94 3gd0A1 SER 394 HB3 -0.01 0.02 -0.14 -0.04 3.93 3.76 3gd0A1 LEU 395 H -0.02 0.76 0.33 -0.55 8.37 8.89 3gd0A1 LEU 395 HA 0.04 0.25 0.83 -0.75 4.35 4.71 3gd0A1 LEU 395 HB2 -0.01 0.02 0.00 -0.04 1.64 1.61 3gd0A1 LEU 395 HB3 -0.04 -0.03 0.08 -0.04 1.64 1.60 3gd0A1 LEU 395 HG -0.18 -0.05 -0.34 -0.04 1.64 1.02 3gd0A1 LEU 395 HD13 -0.08 0.03 -0.07 -0.04 0.93 0.76 3gd0A1 LEU 395 HD23 -0.05 -0.01 -0.13 -0.04 0.89 0.67 3gd0A1 THR 396 H 0.03 0.74 0.32 -0.55 8.28 8.82 3gd0A1 THR 396 HA -0.06 0.16 1.13 -0.75 4.39 4.87 3gd0A1 THR 396 HB -0.00 -0.07 0.09 -0.04 4.32 4.30 3gd0A1 THR 396 HG23 -0.02 0.01 -0.18 -0.04 1.22 0.99 3gd0A1 LEU 397 H -0.12 0.67 0.33 -0.55 8.37 8.71 3gd0A1 LEU 397 HA -0.19 0.20 0.81 -0.75 4.35 4.41 3gd0A1 LEU 397 HB2 -0.10 -0.07 0.31 -0.04 1.64 1.74 3gd0A1 LEU 397 HB3 0.02 0.02 0.02 -0.04 1.64 1.66 3gd0A1 LEU 397 HG -0.73 0.05 -0.05 -0.04 1.64 0.87 3gd0A1 LEU 397 HD13 -0.85 0.02 -0.19 -0.04 0.93 -0.13 3gd0A1 LEU 397 HD23 -0.23 -0.00 -0.09 -0.04 0.89 0.52 3gd0A1 ASP 398 H -0.04 0.56 0.12 -0.55 8.40 8.49 3gd0A1 ASP 398 HA -0.02 0.10 0.35 -0.75 4.63 4.30 3gd0A1 ASP 398 HB2 -0.11 -0.02 -0.25 -0.04 2.71 2.29 3gd0A1 ASP 398 HB3 -0.07 0.05 -0.01 -0.04 2.70 2.63 3gd0A1 PRO 399 HA 0.11 0.27 0.60 -0.51 4.44 4.91 3gd0A1 PRO 399 HB2 0.05 -0.08 -0.07 -0.04 2.28 2.13 3gd0A1 PRO 399 HB3 0.05 0.13 0.04 -0.04 2.02 2.19 3gd0A1 PRO 399 HG2 0.01 -0.11 0.07 -0.04 2.03 1.95 3gd0A1 PRO 399 HG3 0.02 0.04 0.07 -0.04 2.03 2.12 3gd0A1 PRO 399 HD2 -0.02 0.01 0.17 -0.04 3.68 3.80 3gd0A1 PRO 399 HD3 0.00 0.26 0.17 -0.04 3.65 4.05 3gd0A1 PHE 400 H 0.31 0.29 0.14 -0.55 8.34 8.53 3gd0A1 PHE 400 HA -0.43 0.10 0.50 -0.75 4.62 4.04 3gd0A1 PHE 400 HB2 -0.10 0.01 0.21 -0.04 3.15 3.23 3gd0A1 PHE 400 HB3 -0.08 0.00 0.17 -0.04 3.06 3.11 3gd0A1 PHE 400 HD2 -0.19 0.04 0.07 -0.04 7.28 7.16 3gd0A1 PHE 400 HE2 -0.21 0.01 0.01 -0.04 7.38 7.14 3gd0A1 PHE 400 HZ -0.40 -0.02 -0.01 -0.04 7.32 6.85 3gd0A1 ASP 401 H 0.02 0.52 -0.17 -0.55 8.40 8.23 3gd0A1 ASP 401 HA 0.12 0.26 0.42 -0.75 4.63 4.67 3gd0A1 ASP 401 HB2 0.06 0.07 -0.15 -0.04 2.71 2.66 3gd0A1 ASP 401 HB3 0.06 0.12 0.04 -0.04 2.70 2.87