============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 5 1.000 35.274 -24.406 -22.471 -99.200 -91.000 TYR 17 0.840 41.923 -31.410 -27.651 -99.200 -91.000 PHE 23 1.000 27.912 -30.975 -23.707 -99.200 -91.000 HIS 26 0.900 17.507 -27.120 -26.788 -99.200 -91.000 TYR 43 0.840 37.164 -49.603 -24.744 -99.200 -91.000 PHE 50 1.000 20.693 -39.158 -5.153 -99.200 -91.000 TYR 52 0.840 22.342 -38.534 1.495 -99.200 -91.000 PHE 57 1.000 21.808 -44.653 -2.708 -99.200 -91.000 PHE 62 1.000 23.331 -42.597 -20.667 -99.200 -91.000 PHE 69 1.000 43.986 -46.055 -32.202 -99.200 -91.000 HIS 88 0.900 49.368 -39.034 -34.121 -99.200 -91.000 TYR 90 0.840 42.077 -41.796 -33.852 -99.200 -91.000 PHE 92 1.000 34.684 -37.538 -26.520 -99.200 -91.000 PHE 94 1.000 30.180 -40.360 -24.475 -99.200 -91.000 TYR 113 0.840 24.027 -35.990 -16.730 -99.200 -91.000 PHE 118 1.000 38.111 -46.386 -20.073 -99.200 -91.000 HIS 128 0.900 46.614 -48.971 -14.477 -99.200 -91.000 TYR 142 0.840 14.697 -23.177 -24.252 -99.200 -91.000 PHE 159 1.000 -9.013 -10.984 8.751 -99.200 -91.000 HIS 167 0.900 -10.811 -11.868 -3.943 -99.200 -91.000 TYR 177 0.840 8.842 -15.442 -14.428 -99.200 -91.000 TYR 178 0.840 13.747 -18.723 -20.412 -99.200 -91.000 HIS 179 0.900 19.044 -20.706 -14.089 -99.200 -91.000 HIS 188 0.900 -4.887 -6.138 -9.565 -99.200 -91.000 TYR 207 0.840 8.095 -24.856 -1.759 -99.200 -91.000 PHE 213 1.000 21.499 -43.668 1.865 -99.200 -91.000 TYR 218 0.840 16.991 -30.404 2.691 -99.200 -91.000 PHE 237 1.000 -1.426 -1.826 -2.763 -99.200 -91.000 TYR 241 0.840 4.219 -4.781 -4.406 -99.200 -91.000 PHE 246 1.000 19.841 -11.617 -9.332 -99.200 -91.000 HIS 260 0.900 32.793 -25.455 -10.146 -99.200 -91.000 TYR 286 0.840 13.224 -22.444 -8.143 -99.200 -91.000 PHE 306 1.000 9.057 -18.920 -10.037 -99.200 -91.000 HIS 310 0.900 21.454 -22.725 -18.731 -99.200 -91.000 PHE 325 1.000 42.879 -25.971 -29.114 -99.200 -91.000 PHE 328 1.000 35.373 -29.698 -18.744 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gc3A1 GLY 5 HA2 -0.06 0.00 0.24 -0.51 4.01 3.68 3gc3A1 GLY 5 HA3 -0.06 -0.04 0.13 -0.51 4.01 3.53 3gc3A1 THR 6 HG23 -0.11 -0.00 -0.23 -0.04 1.22 0.83 3gc3A1 THR 6 H -0.09 0.17 0.14 -0.55 8.28 7.96 3gc3A1 THR 6 HA -0.09 0.01 0.54 -0.75 4.39 4.10 3gc3A1 THR 6 HB -0.13 0.01 0.13 -0.04 4.32 4.29 3gc3A1 ARG 7 H -0.13 0.06 0.23 -0.55 8.46 8.07 3gc3A1 ARG 7 HA -0.26 0.36 0.71 -0.75 4.34 4.39 3gc3A1 ARG 7 HB2 -0.19 -0.05 0.16 -0.04 1.90 1.78 3gc3A1 ARG 7 HB3 -0.55 -0.02 -0.08 -0.04 1.80 1.11 3gc3A1 ARG 7 HG2 -0.25 -0.02 -0.10 -0.04 1.67 1.25 3gc3A1 ARG 7 HG3 -0.15 0.05 -0.09 -0.04 1.67 1.44 3gc3A1 ARG 7 HD2 -0.05 -0.03 -0.05 -0.04 3.22 3.05 3gc3A1 ARG 7 HD3 -0.07 0.02 0.01 -0.04 3.22 3.13 3gc3A1 VAL 8 HG13 0.24 -0.02 -0.31 -0.04 0.97 0.84 3gc3A1 VAL 8 HG23 -0.17 -0.00 -0.32 -0.04 0.95 0.42 3gc3A1 VAL 8 H -0.35 0.48 0.32 -0.55 8.24 8.14 3gc3A1 VAL 8 HA -0.17 0.16 0.86 -0.75 4.13 4.23 3gc3A1 VAL 8 HB -0.35 0.02 -0.07 -0.04 2.12 1.68 3gc3A1 PHE 9 H 0.18 0.91 0.29 -0.55 8.34 9.17 3gc3A1 PHE 9 HA 0.16 0.15 0.61 -0.75 4.62 4.79 3gc3A1 PHE 9 HB2 0.25 -0.01 0.00 -0.04 3.15 3.36 3gc3A1 PHE 9 HB3 0.23 -0.06 -0.12 -0.04 3.06 3.06 3gc3A1 PHE 9 HD2 0.01 0.04 -0.45 -0.04 7.28 6.83 3gc3A1 PHE 9 HE2 -0.07 0.02 -0.08 -0.04 7.38 7.22 3gc3A1 PHE 9 HZ -0.08 -0.02 -0.06 -0.04 7.32 7.13 3gc3A1 LYS 10 H 0.32 0.57 0.44 -0.55 8.42 9.19 3gc3A1 LYS 10 HA 0.04 0.41 1.28 -0.75 4.32 5.30 3gc3A1 LYS 10 HB2 -0.35 -0.00 0.03 -0.04 1.87 1.50 3gc3A1 LYS 10 HB3 0.24 0.02 -0.17 -0.04 1.79 1.84 3gc3A1 LYS 10 HG2 0.20 0.07 -0.02 -0.04 1.46 1.67 3gc3A1 LYS 10 HG3 0.07 -0.11 -0.07 -0.04 1.46 1.31 3gc3A1 LYS 10 HD2 -0.08 -0.02 -0.13 -0.04 1.69 1.42 3gc3A1 LYS 10 HD3 -0.05 0.04 -0.11 -0.04 1.68 1.52 3gc3A1 LYS 10 HE2 0.05 0.00 -0.16 -0.04 2.99 2.84 3gc3A1 LYS 10 HE3 0.03 -0.06 -0.12 -0.04 2.99 2.79 3gc3A1 LYS 11 H -0.16 0.68 0.33 -0.55 8.42 8.72 3gc3A1 LYS 11 HA 0.00 0.05 0.55 -0.75 4.32 4.17 3gc3A1 LYS 11 HB2 0.03 -0.03 -0.17 -0.04 1.87 1.66 3gc3A1 LYS 11 HB3 -0.10 -0.03 -0.01 -0.04 1.79 1.61 3gc3A1 LYS 11 HG2 -0.02 0.17 0.04 -0.04 1.46 1.61 3gc3A1 LYS 11 HG3 0.04 -0.07 0.15 -0.04 1.46 1.54 3gc3A1 LYS 11 HD2 -0.14 -0.07 -0.01 -0.04 1.69 1.43 3gc3A1 LYS 11 HD3 -0.11 -0.06 -0.14 -0.04 1.68 1.34 3gc3A1 LYS 11 HE2 -0.03 -0.03 0.06 -0.04 2.99 2.96 3gc3A1 LYS 11 HE3 0.01 -0.04 0.06 -0.04 2.99 2.98 3gc3A1 ALA 12 H -0.02 0.14 0.17 -0.55 8.40 8.14 3gc3A1 ALA 12 HA -0.05 0.25 1.08 -0.75 4.34 4.87 3gc3A1 ALA 12 HB3 -0.03 -0.01 0.04 -0.04 1.41 1.37 3gc3A1 SER 13 H -0.01 0.73 0.25 -0.55 8.46 8.88 3gc3A1 SER 13 HA -0.00 0.20 0.73 -0.75 4.49 4.66 3gc3A1 SER 13 HB2 0.02 0.09 -0.08 -0.04 3.95 3.94 3gc3A1 SER 13 HB3 0.01 0.02 -0.24 -0.04 3.93 3.68 3gc3A1 PRO 14 HA 0.00 0.05 0.41 -0.51 4.44 4.40 3gc3A1 PRO 14 HB2 0.01 0.07 0.24 -0.04 2.28 2.55 3gc3A1 PRO 14 HB3 0.00 -0.01 0.15 -0.04 2.02 2.13 3gc3A1 PRO 14 HG2 0.01 0.11 0.06 -0.04 2.03 2.17 3gc3A1 PRO 14 HG3 0.00 0.01 0.14 -0.04 2.03 2.14 3gc3A1 PRO 14 HD2 0.01 0.08 0.12 -0.04 3.68 3.85 3gc3A1 PRO 14 HD3 0.00 0.17 0.28 -0.04 3.65 4.07 3gc3A1 ASN 15 H 0.00 0.53 0.04 -0.55 8.53 8.56 3gc3A1 ASN 15 HA -0.00 0.13 0.51 -0.75 4.76 4.64 3gc3A1 ASN 15 HB2 -0.01 -0.00 0.15 -0.04 2.88 2.98 3gc3A1 ASN 15 HB3 -0.00 -0.02 0.05 -0.04 2.79 2.77 3gc3A1 ASN 15 HD21 -0.00 -0.01 0.02 -0.04 7.03 6.99 3gc3A1 ASN 15 HD22 -0.01 0.03 -0.00 -0.04 7.74 7.71 3gc3A1 GLY 16 H -0.00 0.55 -0.64 -0.55 8.43 7.79 3gc3A1 GLY 16 HA2 -0.01 0.06 0.22 -0.51 4.01 3.77 3gc3A1 GLY 16 HA3 -0.01 0.04 0.31 -0.51 4.01 3.84 3gc3A1 LYS 17 H -0.01 -0.07 -0.42 -0.55 8.42 7.36 3gc3A1 LYS 17 HA -0.02 0.19 0.61 -0.75 4.32 4.35 3gc3A1 LYS 17 HB2 -0.00 -0.10 0.04 -0.04 1.87 1.76 3gc3A1 LYS 17 HB3 -0.02 0.01 -0.04 -0.04 1.79 1.69 3gc3A1 LYS 17 HG2 -0.01 0.07 -0.13 -0.04 1.46 1.35 3gc3A1 LYS 17 HG3 -0.02 -0.05 -0.02 -0.04 1.46 1.34 3gc3A1 LYS 17 HD2 -0.03 -0.06 -0.02 -0.04 1.69 1.55 3gc3A1 LYS 17 HD3 -0.03 0.04 -0.03 -0.04 1.68 1.63 3gc3A1 LYS 17 HE2 -0.02 0.05 -0.13 -0.04 2.99 2.85 3gc3A1 LYS 17 HE3 -0.02 0.20 0.01 -0.04 2.99 3.15 3gc3A1 LEU 18 H 0.00 -0.02 0.02 -0.55 8.37 7.83 3gc3A1 LEU 18 HA 0.01 0.41 0.89 -0.75 4.35 4.90 3gc3A1 LEU 18 HB2 0.01 -0.10 -0.03 -0.04 1.64 1.48 3gc3A1 LEU 18 HB3 0.01 0.01 -0.24 -0.04 1.64 1.38 3gc3A1 LEU 18 HG -0.00 -0.02 -0.13 -0.04 1.64 1.45 3gc3A1 LEU 18 HD13 0.01 0.02 -0.26 -0.04 0.93 0.66 3gc3A1 LEU 18 HD23 0.00 0.03 -0.16 -0.04 0.89 0.72 3gc3A1 THR 19 HG23 -0.45 0.00 -0.25 -0.04 1.22 0.47 3gc3A1 THR 19 H 0.05 0.53 0.16 -0.55 8.28 8.46 3gc3A1 THR 19 HA -0.08 0.23 0.79 -0.75 4.39 4.57 3gc3A1 THR 19 HB -0.01 -0.02 0.01 -0.04 4.32 4.26 3gc3A1 VAL 20 HG13 0.37 -0.01 -0.26 -0.04 0.97 1.02 3gc3A1 VAL 20 HG23 0.05 -0.01 -0.16 -0.04 0.95 0.78 3gc3A1 VAL 20 H -0.14 0.75 0.31 -0.55 8.24 8.61 3gc3A1 VAL 20 HA 0.18 0.27 1.03 -0.75 4.13 4.86 3gc3A1 VAL 20 HB -0.00 -0.04 0.01 -0.04 2.12 2.05 3gc3A1 TYR 21 H 0.42 0.65 0.35 -0.55 8.29 9.16 3gc3A1 TYR 21 HA 0.25 0.43 1.01 -0.75 4.56 5.49 3gc3A1 TYR 21 HB2 0.14 -0.10 0.02 -0.04 3.06 3.08 3gc3A1 TYR 21 HB3 0.21 0.03 -0.09 -0.04 2.98 3.09 3gc3A1 TYR 21 HD2 0.27 0.17 -0.20 -0.04 7.15 7.35 3gc3A1 TYR 21 HE2 -0.10 -0.02 -0.18 -0.04 6.85 6.51 3gc3A1 LEU 22 H 0.40 0.72 0.29 -0.55 8.37 9.23 3gc3A1 LEU 22 HA 0.26 0.16 0.74 -0.75 4.35 4.75 3gc3A1 LEU 22 HB2 0.54 0.01 0.02 -0.04 1.64 2.16 3gc3A1 LEU 22 HB3 0.48 0.01 0.11 -0.04 1.64 2.19 3gc3A1 LEU 22 HG 0.40 -0.03 -0.46 -0.04 1.64 1.51 3gc3A1 LEU 22 HD13 0.42 0.00 -0.13 -0.04 0.93 1.18 3gc3A1 LEU 22 HD23 0.39 0.01 -0.16 -0.04 0.89 1.09 3gc3A1 GLY 23 H 0.19 0.27 0.19 -0.55 8.43 8.54 3gc3A1 GLY 23 HA2 0.06 0.18 0.69 -0.51 4.01 4.43 3gc3A1 GLY 23 HA3 0.09 -0.01 0.39 -0.51 4.01 3.98 3gc3A1 LYS 24 H 0.31 0.18 -0.23 -0.55 8.42 8.12 3gc3A1 LYS 24 HA 0.20 0.16 0.82 -0.75 4.32 4.75 3gc3A1 LYS 24 HB2 -0.50 -0.02 -0.13 -0.04 1.87 1.18 3gc3A1 LYS 24 HB3 -0.42 -0.01 0.06 -0.04 1.79 1.37 3gc3A1 LYS 24 HG2 -0.01 0.15 -0.03 -0.04 1.46 1.53 3gc3A1 LYS 24 HG3 -0.02 -0.11 -0.42 -0.04 1.46 0.87 3gc3A1 LYS 24 HD2 -0.18 0.02 0.06 -0.04 1.69 1.56 3gc3A1 LYS 24 HD3 -0.07 -0.03 0.01 -0.04 1.68 1.56 3gc3A1 LYS 24 HE2 -0.12 -0.06 -0.03 -0.04 2.99 2.74 3gc3A1 LYS 24 HE3 -0.60 0.17 0.05 -0.04 2.99 2.56 3gc3A1 ARG 25 H -0.29 0.12 0.16 -0.55 8.46 7.89 3gc3A1 ARG 25 HA 0.13 0.22 0.99 -0.75 4.34 4.92 3gc3A1 ARG 25 HB2 -0.36 0.00 -0.03 -0.04 1.90 1.47 3gc3A1 ARG 25 HB3 -0.36 0.06 0.11 -0.04 1.80 1.58 3gc3A1 ARG 25 HG2 -1.54 0.03 -0.07 -0.04 1.67 0.04 3gc3A1 ARG 25 HG3 -1.06 -0.11 -0.11 -0.04 1.67 0.35 3gc3A1 ARG 25 HD2 -0.69 -0.03 0.01 -0.04 3.22 2.47 3gc3A1 ARG 25 HD3 -0.75 0.01 0.02 -0.04 3.22 2.47 3gc3A1 ASP 26 H -0.34 0.09 0.14 -0.55 8.40 7.74 3gc3A1 ASP 26 HA -0.06 0.19 0.94 -0.75 4.63 4.94 3gc3A1 ASP 26 HB2 -0.18 -0.03 0.10 -0.04 2.71 2.56 3gc3A1 ASP 26 HB3 -0.18 0.05 -0.02 -0.04 2.70 2.50 3gc3A1 PHE 27 H 0.08 0.90 0.35 -0.55 8.34 9.12 3gc3A1 PHE 27 HA -0.02 0.09 0.90 -0.75 4.62 4.84 3gc3A1 PHE 27 HB2 -0.08 0.02 0.09 -0.04 3.15 3.14 3gc3A1 PHE 27 HB3 -0.01 0.11 -0.02 -0.04 3.06 3.10 3gc3A1 PHE 27 HD2 0.03 0.09 -0.26 -0.04 7.28 7.09 3gc3A1 PHE 27 HE2 0.12 0.01 -0.11 -0.04 7.38 7.36 3gc3A1 PHE 27 HZ 0.17 -0.01 -0.09 -0.04 7.32 7.35 3gc3A1 VAL 28 HG13 -0.42 0.01 -0.19 -0.04 0.97 0.33 3gc3A1 VAL 28 HG23 -0.08 0.01 -0.02 -0.04 0.95 0.82 3gc3A1 VAL 28 H 0.02 0.14 0.17 -0.55 8.24 8.02 3gc3A1 VAL 28 HA -0.10 0.21 0.77 -0.75 4.13 4.26 3gc3A1 VAL 28 HB -0.07 -0.07 0.14 -0.04 2.12 2.08 3gc3A1 ASP 29 H -0.05 0.77 0.46 -0.55 8.40 9.03 3gc3A1 ASP 29 HA 0.04 0.08 0.92 -0.75 4.63 4.92 3gc3A1 ASP 29 HB2 -0.00 0.03 0.08 -0.04 2.71 2.77 3gc3A1 ASP 29 HB3 0.01 -0.04 0.25 -0.04 2.70 2.88 3gc3A1 HIS 30 H 0.19 0.74 0.33 -0.55 8.41 9.12 3gc3A1 HIS 30 HA 0.21 0.23 0.87 -0.75 4.63 5.19 3gc3A1 HIS 30 HB2 0.07 0.06 0.08 -0.04 3.26 3.43 3gc3A1 HIS 30 HB3 0.11 -0.04 0.23 -0.04 3.20 3.46 3gc3A1 HIS 30 HD2 0.04 0.06 -0.07 -0.04 6.97 6.95 3gc3A1 HIS 30 HE1 -0.30 -0.00 -0.01 -0.04 7.75 7.40 3gc3A1 ILE 31 HG12 0.04 0.01 -0.00 -0.04 1.49 1.50 3gc3A1 ILE 31 HG13 0.08 0.09 -0.13 -0.04 1.21 1.20 3gc3A1 ILE 31 HG23 0.04 -0.01 -0.12 -0.04 0.93 0.81 3gc3A1 ILE 31 H 0.10 0.14 -0.28 -0.55 8.25 7.67 3gc3A1 ILE 31 HA 0.06 0.08 0.32 -0.75 4.18 3.89 3gc3A1 ILE 31 HB 0.09 0.15 -0.20 -0.04 1.89 1.88 3gc3A1 ILE 31 HD13 0.01 -0.01 -0.00 -0.04 0.88 0.84 3gc3A1 ASP 32 H 0.10 0.64 0.35 -0.55 8.40 8.94 3gc3A1 ASP 32 HA 0.05 0.13 0.78 -0.75 4.63 4.84 3gc3A1 ASP 32 HB2 0.06 0.03 0.03 -0.04 2.71 2.79 3gc3A1 ASP 32 HB3 0.04 -0.04 0.11 -0.04 2.70 2.77 3gc3A1 LEU 33 H 0.10 0.25 -0.27 -0.55 8.37 7.91 3gc3A1 LEU 33 HA 0.05 0.11 0.34 -0.75 4.35 4.11 3gc3A1 LEU 33 HB2 0.05 0.02 0.11 -0.04 1.64 1.77 3gc3A1 LEU 33 HB3 0.05 0.10 -0.19 -0.04 1.64 1.56 3gc3A1 LEU 33 HG 0.09 0.02 -0.55 -0.04 1.64 1.15 3gc3A1 LEU 33 HD13 0.02 0.01 -0.10 -0.04 0.93 0.83 3gc3A1 LEU 33 HD23 0.03 -0.02 -0.16 -0.04 0.89 0.69 3gc3A1 VAL 34 HG13 0.02 0.05 -0.26 -0.04 0.97 0.74 3gc3A1 VAL 34 HG23 0.01 -0.03 -0.25 -0.04 0.95 0.64 3gc3A1 VAL 34 H 0.06 0.26 0.11 -0.55 8.24 8.12 3gc3A1 VAL 34 HA 0.12 0.15 0.98 -0.75 4.13 4.62 3gc3A1 VAL 34 HB 0.02 -0.01 0.00 -0.04 2.12 2.09 3gc3A1 GLU 35 H 0.18 0.52 0.20 -0.55 8.60 8.95 3gc3A1 GLU 35 HA 0.13 0.03 0.51 -0.75 4.29 4.21 3gc3A1 GLU 35 HB2 0.36 -0.09 0.09 -0.04 2.09 2.41 3gc3A1 GLU 35 HB3 0.21 0.06 0.13 -0.04 1.99 2.35 3gc3A1 GLU 35 HG2 0.18 0.03 0.13 -0.04 2.34 2.64 3gc3A1 GLU 35 HG3 0.19 0.19 0.29 -0.04 2.34 2.98 3gc3A1 PRO 36 HA 0.05 0.11 0.62 -0.51 4.44 4.72 3gc3A1 PRO 36 HB2 0.04 -0.01 -0.04 -0.04 2.28 2.23 3gc3A1 PRO 36 HB3 0.05 0.04 0.11 -0.04 2.02 2.17 3gc3A1 PRO 36 HG2 0.08 -0.05 0.11 -0.04 2.03 2.13 3gc3A1 PRO 36 HG3 0.05 0.03 0.08 -0.04 2.03 2.15 3gc3A1 PRO 36 HD2 0.10 0.02 0.28 -0.04 3.68 4.03 3gc3A1 PRO 36 HD3 0.07 0.17 0.23 -0.04 3.65 4.07 3gc3A1 VAL 37 HG13 0.02 0.00 -0.17 -0.04 0.97 0.78 3gc3A1 VAL 37 HG23 -0.72 0.02 -0.11 -0.04 0.95 0.10 3gc3A1 VAL 37 H -0.01 0.51 0.23 -0.55 8.24 8.41 3gc3A1 VAL 37 HA -0.35 0.12 0.74 -0.75 4.13 3.89 3gc3A1 VAL 37 HB 0.22 -0.13 0.15 -0.04 2.12 2.32 3gc3A1 ASP 38 H 0.16 0.25 0.04 -0.55 8.40 8.30 3gc3A1 ASP 38 HA -0.13 0.24 0.80 -0.75 4.63 4.79 3gc3A1 ASP 38 HB2 -0.05 -0.05 0.08 -0.04 2.71 2.66 3gc3A1 ASP 38 HB3 0.00 0.02 -0.03 -0.04 2.70 2.65 3gc3A1 GLY 39 H -0.74 0.87 0.44 -0.55 8.43 8.46 3gc3A1 GLY 39 HA2 -0.19 0.18 1.04 -0.51 4.01 4.52 3gc3A1 GLY 39 HA3 -1.08 0.01 0.34 -0.51 4.01 2.77 3gc3A1 VAL 40 HG13 0.06 -0.00 -0.38 -0.04 0.97 0.60 3gc3A1 VAL 40 HG23 -0.05 0.01 -0.31 -0.04 0.95 0.57 3gc3A1 VAL 40 H 0.05 0.52 0.30 -0.55 8.24 8.56 3gc3A1 VAL 40 HA 0.03 0.31 0.74 -0.75 4.13 4.46 3gc3A1 VAL 40 HB 0.05 -0.06 -0.11 -0.04 2.12 1.96 3gc3A1 VAL 41 HG13 0.19 0.02 -0.10 -0.04 0.97 1.03 3gc3A1 VAL 41 HG23 0.09 0.01 -0.19 -0.04 0.95 0.81 3gc3A1 VAL 41 H 0.32 0.78 0.25 -0.55 8.24 9.05 3gc3A1 VAL 41 HA 0.34 0.30 1.15 -0.75 4.13 5.17 3gc3A1 VAL 41 HB 0.30 -0.07 -0.07 -0.04 2.12 2.24 3gc3A1 LEU 42 H 0.29 0.67 0.22 -0.55 8.37 8.99 3gc3A1 LEU 42 HA 0.22 0.21 0.84 -0.75 4.35 4.87 3gc3A1 LEU 42 HB2 0.29 -0.02 -0.11 -0.04 1.64 1.76 3gc3A1 LEU 42 HB3 0.32 -0.08 0.11 -0.04 1.64 1.95 3gc3A1 LEU 42 HG 0.11 0.08 -0.28 -0.04 1.64 1.51 3gc3A1 LEU 42 HD13 0.15 0.02 -0.36 -0.04 0.93 0.69 3gc3A1 LEU 42 HD23 0.11 -0.01 -0.08 -0.04 0.89 0.87 3gc3A1 VAL 43 HG13 -0.11 0.01 -0.12 -0.04 0.97 0.71 3gc3A1 VAL 43 HG23 -0.22 0.11 0.12 -0.04 0.95 0.92 3gc3A1 VAL 43 H 0.16 0.71 0.18 -0.55 8.24 8.73 3gc3A1 VAL 43 HA -0.02 0.12 0.28 -0.75 4.13 3.75 3gc3A1 VAL 43 HB -0.27 -0.01 0.07 -0.04 2.12 1.86 3gc3A1 ARG 51 HA 0.06 -0.14 0.12 -0.75 4.34 3.63 3gc3A1 ARG 51 HB2 0.04 0.01 0.00 -0.04 1.90 1.91 3gc3A1 ARG 51 HB3 0.08 -0.03 -0.13 -0.04 1.80 1.68 3gc3A1 ARG 51 HG2 0.06 -0.09 -0.01 -0.04 1.67 1.60 3gc3A1 ARG 51 HG3 0.04 0.00 0.01 -0.04 1.67 1.68 3gc3A1 ARG 51 HD2 0.08 0.03 -0.23 -0.04 3.22 3.06 3gc3A1 ARG 51 HD3 0.06 -0.04 -0.03 -0.04 3.22 3.17 3gc3A1 ARG 52 H 0.04 0.10 0.04 -0.55 8.46 8.09 3gc3A1 ARG 52 HA -0.01 0.16 0.71 -0.75 4.34 4.45 3gc3A1 ARG 52 HB2 -0.43 -0.01 0.03 -0.04 1.90 1.45 3gc3A1 ARG 52 HB3 -0.40 0.10 0.20 -0.04 1.80 1.66 3gc3A1 ARG 52 HG2 -0.08 -0.03 0.10 -0.04 1.67 1.62 3gc3A1 ARG 52 HG3 0.02 0.06 0.19 -0.04 1.67 1.89 3gc3A1 ARG 52 HD2 0.03 -0.01 0.04 -0.04 3.22 3.24 3gc3A1 ARG 52 HD3 -0.23 0.01 0.03 -0.04 3.22 2.99 3gc3A1 VAL 53 HG13 -0.08 -0.01 -0.24 -0.04 0.97 0.60 3gc3A1 VAL 53 HG23 -0.09 0.01 -0.08 -0.04 0.95 0.75 3gc3A1 VAL 53 H -0.07 0.73 0.33 -0.55 8.24 8.68 3gc3A1 VAL 53 HA -0.12 0.23 1.08 -0.75 4.13 4.57 3gc3A1 VAL 53 HB -0.04 -0.06 0.15 -0.04 2.12 2.13 3gc3A1 TYR 54 H -0.35 0.58 0.29 -0.55 8.29 8.26 3gc3A1 TYR 54 HA -0.23 0.18 1.01 -0.75 4.56 4.77 3gc3A1 TYR 54 HB2 -1.57 -0.03 0.01 -0.04 3.06 1.43 3gc3A1 TYR 54 HB3 -0.45 -0.01 0.00 -0.04 2.98 2.48 3gc3A1 TYR 54 HD2 -0.11 0.04 -0.22 -0.04 7.15 6.82 3gc3A1 TYR 54 HE2 0.01 0.12 -0.22 -0.04 6.85 6.72 3gc3A1 VAL 55 HG13 -0.39 -0.01 -0.27 -0.04 0.97 0.25 3gc3A1 VAL 55 HG23 -0.29 -0.01 -0.22 -0.04 0.95 0.38 3gc3A1 VAL 55 H 0.01 0.73 0.42 -0.55 8.24 8.86 3gc3A1 VAL 55 HA -0.09 0.24 1.12 -0.75 4.13 4.64 3gc3A1 VAL 55 HB -0.14 -0.03 0.06 -0.04 2.12 1.96 3gc3A1 THR 56 HG23 0.14 0.03 0.02 -0.04 1.22 1.36 3gc3A1 THR 56 H 0.11 1.01 0.43 -0.55 8.28 9.28 3gc3A1 THR 56 HA 0.14 0.32 1.26 -0.75 4.39 5.35 3gc3A1 THR 56 HB 0.22 -0.06 -0.05 -0.04 4.32 4.39 3gc3A1 LEU 57 H -0.34 0.60 0.38 -0.55 8.37 8.47 3gc3A1 LEU 57 HA -0.29 0.30 1.09 -0.75 4.35 4.70 3gc3A1 LEU 57 HB2 -1.41 -0.01 -0.06 -0.04 1.64 0.13 3gc3A1 LEU 57 HB3 -0.77 -0.04 0.10 -0.04 1.64 0.89 3gc3A1 LEU 57 HG 0.13 -0.00 -0.47 -0.04 1.64 1.26 3gc3A1 LEU 57 HD13 0.01 0.02 -0.19 -0.04 0.93 0.74 3gc3A1 LEU 57 HD23 0.04 -0.00 -0.19 -0.04 0.89 0.70 3gc3A1 THR 58 HG23 -0.07 -0.00 -0.07 -0.04 1.22 1.04 3gc3A1 THR 58 H -0.05 0.60 0.32 -0.55 8.28 8.59 3gc3A1 THR 58 HA -0.03 0.35 1.28 -0.75 4.39 5.24 3gc3A1 THR 58 HB -0.06 -0.04 0.09 -0.04 4.32 4.27 3gc3A1 CYS 59 H 0.04 0.67 0.40 -0.55 8.50 9.07 3gc3A1 CYS 59 HA -0.37 0.39 1.10 -0.75 4.58 4.96 3gc3A1 CYS 59 HB2 -0.60 -0.01 -0.01 -0.04 2.97 2.31 3gc3A1 CYS 59 HB3 -0.03 -0.08 0.12 -0.04 2.97 2.93 3gc3A1 ALA 60 H -0.16 0.58 0.35 -0.55 8.40 8.62 3gc3A1 ALA 60 HA -0.01 0.11 1.12 -0.75 4.34 4.80 3gc3A1 ALA 60 HB3 -0.06 -0.00 -0.09 -0.04 1.41 1.21 3gc3A1 PHE 61 H 0.18 0.44 0.32 -0.55 8.34 8.73 3gc3A1 PHE 61 HA 0.03 0.43 1.20 -0.75 4.62 5.53 3gc3A1 PHE 61 HB2 0.07 0.04 0.05 -0.04 3.15 3.26 3gc3A1 PHE 61 HB3 0.11 -0.08 0.15 -0.04 3.06 3.20 3gc3A1 PHE 61 HD2 0.26 -0.05 -0.25 -0.04 7.28 7.21 3gc3A1 PHE 61 HE2 0.24 -0.02 -0.25 -0.04 7.38 7.31 3gc3A1 PHE 61 HZ 0.29 0.03 -0.09 -0.04 7.32 7.51 3gc3A1 ARG 62 H -0.56 0.77 0.41 -0.55 8.46 8.52 3gc3A1 ARG 62 HA -0.14 0.23 1.15 -0.75 4.34 4.82 3gc3A1 ARG 62 HB2 -0.19 -0.04 0.03 -0.04 1.90 1.66 3gc3A1 ARG 62 HB3 -0.13 0.11 -0.01 -0.04 1.80 1.73 3gc3A1 ARG 62 HG2 -0.11 -0.00 -0.11 -0.04 1.67 1.41 3gc3A1 ARG 62 HG3 -0.11 -0.05 -0.40 -0.04 1.67 1.08 3gc3A1 ARG 62 HD2 -0.08 -0.01 -0.13 -0.04 3.22 2.96 3gc3A1 ARG 62 HD3 -0.09 0.04 -0.09 -0.04 3.22 3.04 3gc3A1 TYR 63 H 0.04 0.73 0.42 -0.55 8.29 8.93 3gc3A1 TYR 63 HA -0.12 0.21 1.06 -0.75 4.56 4.96 3gc3A1 TYR 63 HB2 0.21 -0.04 -0.14 -0.04 3.06 3.05 3gc3A1 TYR 63 HB3 0.10 -0.09 0.10 -0.04 2.98 3.05 3gc3A1 TYR 63 HD2 0.24 -0.06 -0.20 -0.04 7.15 7.10 3gc3A1 TYR 63 HE2 0.21 0.00 -0.05 -0.04 6.85 6.97 3gc3A1 GLY 64 H -0.59 0.80 0.29 -0.55 8.43 8.39 3gc3A1 GLY 64 HA2 -0.16 0.12 0.32 -0.51 4.01 3.78 3gc3A1 GLY 64 HA3 -0.00 0.08 0.78 -0.51 4.01 4.35 3gc3A1 GLY 72 HA2 -0.01 -0.04 0.37 -0.51 4.01 3.82 3gc3A1 GLY 72 HA3 -0.02 -0.05 0.08 -0.51 4.01 3.51 3gc3A1 LEU 73 H -0.02 0.10 0.31 -0.55 8.37 8.21 3gc3A1 LEU 73 HA -0.02 0.13 0.31 -0.75 4.35 4.02 3gc3A1 LEU 73 HB2 -0.04 -0.05 0.19 -0.04 1.64 1.69 3gc3A1 LEU 73 HB3 -0.05 -0.05 -0.16 -0.04 1.64 1.35 3gc3A1 LEU 73 HG -0.07 0.05 -0.01 -0.04 1.64 1.56 3gc3A1 LEU 73 HD13 -0.09 -0.03 -0.13 -0.04 0.93 0.64 3gc3A1 LEU 73 HD23 -0.04 -0.16 0.11 -0.04 0.89 0.76 3gc3A1 THR 74 HG23 0.09 0.03 -0.27 -0.04 1.22 1.03 3gc3A1 THR 74 H 0.02 0.32 0.38 -0.55 8.28 8.45 3gc3A1 THR 74 HA 0.02 0.14 0.87 -0.75 4.39 4.67 3gc3A1 THR 74 HB 0.15 -0.07 0.06 -0.04 4.32 4.42 3gc3A1 PHE 75 H 0.02 0.36 0.36 -0.55 8.34 8.53 3gc3A1 PHE 75 HA -0.29 0.09 0.48 -0.75 4.62 4.15 3gc3A1 PHE 75 HB2 -1.83 0.12 -0.06 -0.04 3.15 1.35 3gc3A1 PHE 75 HB3 -0.61 -0.05 0.03 -0.04 3.06 2.39 3gc3A1 PHE 75 HD2 -0.08 0.01 -0.16 -0.04 7.28 7.01 3gc3A1 PHE 75 HE2 0.16 -0.01 -0.12 -0.04 7.38 7.37 3gc3A1 PHE 75 HZ 0.05 -0.02 -0.09 -0.04 7.32 7.22 3gc3A1 ARG 76 H -0.78 0.24 0.14 -0.55 8.46 7.52 3gc3A1 ARG 76 HA -0.26 0.35 0.95 -0.75 4.34 4.62 3gc3A1 ARG 76 HB2 -0.18 0.02 -0.07 -0.04 1.90 1.64 3gc3A1 ARG 76 HB3 -0.24 -0.06 0.03 -0.04 1.80 1.49 3gc3A1 ARG 76 HG2 -0.17 -0.08 -0.41 -0.04 1.67 0.97 3gc3A1 ARG 76 HG3 -0.12 0.12 -0.05 -0.04 1.67 1.57 3gc3A1 ARG 76 HD2 -0.11 0.01 -0.10 -0.04 3.22 2.98 3gc3A1 ARG 76 HD3 -0.13 -0.03 -0.10 -0.04 3.22 2.92 3gc3A1 LYS 77 H -0.05 0.75 0.29 -0.55 8.42 8.86 3gc3A1 LYS 77 HA -0.18 0.11 0.88 -0.75 4.32 4.38 3gc3A1 LYS 77 HB2 0.08 -0.02 -0.04 -0.04 1.87 1.85 3gc3A1 LYS 77 HB3 0.18 -0.05 0.13 -0.04 1.79 2.02 3gc3A1 LYS 77 HG2 0.03 0.16 -0.21 -0.04 1.46 1.41 3gc3A1 LYS 77 HG3 0.04 -0.02 0.05 -0.04 1.46 1.49 3gc3A1 LYS 77 HD2 0.17 -0.04 -0.04 -0.04 1.69 1.73 3gc3A1 LYS 77 HD3 0.06 0.00 -0.06 -0.04 1.68 1.64 3gc3A1 LYS 77 HE2 0.04 -0.07 -0.07 -0.04 2.99 2.85 3gc3A1 LYS 77 HE3 0.03 0.06 -0.03 -0.04 2.99 3.01 3gc3A1 ASP 78 H -0.07 0.13 0.10 -0.55 8.40 8.00 3gc3A1 ASP 78 HA -0.04 0.11 0.86 -0.75 4.63 4.81 3gc3A1 ASP 78 HB2 -0.05 -0.01 0.12 -0.04 2.71 2.73 3gc3A1 ASP 78 HB3 -0.05 0.01 0.01 -0.04 2.70 2.62 3gc3A1 LEU 79 H 0.00 0.82 0.54 -0.55 8.37 9.18 3gc3A1 LEU 79 HA 0.04 0.16 0.95 -0.75 4.35 4.74 3gc3A1 LEU 79 HB2 0.01 0.01 -0.04 -0.04 1.64 1.58 3gc3A1 LEU 79 HB3 0.05 0.01 0.09 -0.04 1.64 1.75 3gc3A1 LEU 79 HG 0.05 -0.06 -0.08 -0.04 1.64 1.51 3gc3A1 LEU 79 HD13 0.06 0.03 -0.13 -0.04 0.93 0.85 3gc3A1 LEU 79 HD23 0.04 0.02 -0.11 -0.04 0.89 0.80 3gc3A1 PHE 80 H 0.05 0.25 0.24 -0.55 8.34 8.33 3gc3A1 PHE 80 HA -0.01 0.05 0.62 -0.75 4.62 4.53 3gc3A1 PHE 80 HB2 0.01 0.20 -0.08 -0.04 3.15 3.25 3gc3A1 PHE 80 HB3 -0.03 -0.08 -0.07 -0.04 3.06 2.84 3gc3A1 PHE 80 HD2 0.01 -0.05 -0.11 -0.04 7.28 7.10 3gc3A1 PHE 80 HE2 0.02 -0.04 -0.07 -0.04 7.38 7.25 3gc3A1 PHE 80 HZ 0.09 0.02 -0.02 -0.04 7.32 7.36 3gc3A1 VAL 81 HG13 -0.12 -0.00 -0.06 -0.04 0.97 0.74 3gc3A1 VAL 81 HG23 -0.12 -0.01 -0.15 -0.04 0.95 0.63 3gc3A1 VAL 81 H -0.57 0.26 0.23 -0.55 8.24 7.62 3gc3A1 VAL 81 HA -0.28 0.38 0.93 -0.75 4.13 4.40 3gc3A1 VAL 81 HB -0.20 -0.03 0.05 -0.04 2.12 1.90 3gc3A1 ALA 82 H -0.24 0.49 0.33 -0.55 8.40 8.43 3gc3A1 ALA 82 HA -0.13 0.13 0.82 -0.75 4.34 4.39 3gc3A1 ALA 82 HB3 0.08 0.01 0.07 -0.04 1.41 1.54 3gc3A1 ASN 83 H 0.07 0.20 0.18 -0.55 8.53 8.43 3gc3A1 ASN 83 HA 0.19 0.23 1.10 -0.75 4.76 5.53 3gc3A1 ASN 83 HB2 0.07 -0.02 0.07 -0.04 2.88 2.95 3gc3A1 ASN 83 HB3 0.11 0.04 -0.04 -0.04 2.79 2.86 3gc3A1 ASN 83 HD21 -0.05 0.01 -0.14 -0.04 7.03 6.81 3gc3A1 ASN 83 HD22 -0.02 0.01 -0.06 -0.04 7.74 7.63 3gc3A1 VAL 84 HG13 -0.00 -0.03 -0.17 -0.04 0.97 0.73 3gc3A1 VAL 84 HG23 -0.07 0.01 -0.07 -0.04 0.95 0.78 3gc3A1 VAL 84 H 0.22 0.69 0.38 -0.55 8.24 8.99 3gc3A1 VAL 84 HA 0.09 0.14 0.92 -0.75 4.13 4.53 3gc3A1 VAL 84 HB 0.00 0.05 0.08 -0.04 2.12 2.21 3gc3A1 GLN 85 H 0.04 0.17 0.11 -0.55 8.47 8.25 3gc3A1 GLN 85 HA -0.27 0.12 0.96 -0.75 4.36 4.42 3gc3A1 GLN 85 HB2 -0.09 -0.07 0.08 -0.04 2.15 2.03 3gc3A1 GLN 85 HB3 -0.12 0.04 0.10 -0.04 2.02 2.00 3gc3A1 GLN 85 HG2 -0.39 0.05 -0.21 -0.04 2.40 1.81 3gc3A1 GLN 85 HG3 -0.90 -0.06 -0.05 -0.04 2.39 1.34 3gc3A1 GLN 85 HE21 -0.11 -0.02 -0.01 -0.04 6.97 6.79 3gc3A1 GLN 85 HE22 -0.09 -0.09 -0.00 -0.04 7.69 7.47 3gc3A1 SER 86 H -0.15 0.69 0.30 -0.55 8.46 8.75 3gc3A1 SER 86 HA 0.05 0.17 0.49 -0.75 4.49 4.45 3gc3A1 SER 86 HB2 0.00 -0.06 -0.09 -0.04 3.95 3.76 3gc3A1 SER 86 HB3 0.06 -0.01 -0.16 -0.04 3.93 3.78 3gc3A1 PHE 87 H -0.11 0.36 0.18 -0.55 8.34 8.21 3gc3A1 PHE 87 HA -0.33 0.06 0.49 -0.75 4.62 4.09 3gc3A1 PHE 87 HB2 -0.84 0.10 -0.07 -0.04 3.15 2.31 3gc3A1 PHE 87 HB3 -0.34 -0.09 0.06 -0.04 3.06 2.65 3gc3A1 PHE 87 HD2 -0.92 -0.00 -0.16 -0.04 7.28 6.15 3gc3A1 PHE 87 HE2 -0.04 0.03 -0.05 -0.04 7.38 7.27 3gc3A1 PHE 87 HZ -0.04 -0.04 -0.02 -0.04 7.32 7.18 3gc3A1 PRO 88 HA -1.02 0.13 0.37 -0.51 4.44 3.40 3gc3A1 PRO 88 HB2 -0.42 0.11 -0.03 -0.04 2.28 1.90 3gc3A1 PRO 88 HB3 -1.17 -0.00 0.09 -0.04 2.02 0.89 3gc3A1 PRO 88 HG2 -0.31 0.04 0.03 -0.04 2.03 1.75 3gc3A1 PRO 88 HG3 -0.38 -0.00 0.05 -0.04 2.03 1.65 3gc3A1 PRO 88 HD2 -0.32 0.06 0.41 -0.04 3.68 3.78 3gc3A1 PRO 88 HD3 -0.53 0.11 0.09 -0.04 3.65 3.28 3gc3A1 PRO 89 HA -0.02 0.22 0.07 -0.51 4.44 4.21 3gc3A1 PRO 89 HB2 0.01 -0.04 0.09 -0.04 2.28 2.30 3gc3A1 PRO 89 HB3 0.05 0.06 0.10 -0.04 2.02 2.19 3gc3A1 PRO 89 HG2 0.18 0.01 0.09 -0.04 2.03 2.26 3gc3A1 PRO 89 HG3 0.36 0.18 0.11 -0.04 2.03 2.64 3gc3A1 PRO 89 HD2 -0.05 0.06 0.13 -0.04 3.68 3.78 3gc3A1 PRO 89 HD3 -0.02 0.11 0.21 -0.04 3.65 3.91 3gc3A1 LYS 95 HA 0.00 -0.05 0.21 -0.75 4.32 3.72 3gc3A1 LYS 95 HB2 0.01 0.01 -0.01 -0.04 1.87 1.83 3gc3A1 LYS 95 HB3 0.01 -0.05 0.04 -0.04 1.79 1.75 3gc3A1 LYS 95 HG2 0.00 -0.02 0.04 -0.04 1.46 1.44 3gc3A1 LYS 95 HG3 0.00 0.04 -0.13 -0.04 1.46 1.34 3gc3A1 LYS 95 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.63 3gc3A1 LYS 95 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 3gc3A1 LYS 95 HE2 0.00 0.02 -0.05 -0.04 2.99 2.93 3gc3A1 LYS 95 HE3 0.01 -0.00 -0.11 -0.04 2.99 2.84 3gc3A1 PRO 96 HA -0.01 -0.01 0.29 -0.51 4.44 4.20 3gc3A1 PRO 96 HB2 -0.01 0.08 -0.06 -0.04 2.28 2.26 3gc3A1 PRO 96 HB3 -0.01 -0.01 0.09 -0.04 2.02 2.05 3gc3A1 PRO 96 HG2 -0.00 0.01 0.02 -0.04 2.03 2.02 3gc3A1 PRO 96 HG3 -0.00 0.01 0.05 -0.04 2.03 2.04 3gc3A1 PRO 96 HD2 0.00 0.08 0.15 -0.04 3.68 3.86 3gc3A1 PRO 96 HD3 -0.00 0.10 0.13 -0.04 3.65 3.84 3gc3A1 LEU 97 H -0.02 0.06 0.14 -0.55 8.37 8.00 3gc3A1 LEU 97 HA -0.03 0.11 0.66 -0.75 4.35 4.33 3gc3A1 LEU 97 HB2 -0.03 -0.03 0.07 -0.04 1.64 1.61 3gc3A1 LEU 97 HB3 -0.04 -0.07 0.03 -0.04 1.64 1.53 3gc3A1 LEU 97 HG -0.03 -0.01 0.06 -0.04 1.64 1.62 3gc3A1 LEU 97 HD13 -0.04 -0.01 -0.04 -0.04 0.93 0.80 3gc3A1 LEU 97 HD23 -0.03 0.03 -0.02 -0.04 0.89 0.84 3gc3A1 THR 98 HG23 0.00 0.06 0.05 -0.04 1.22 1.29 3gc3A1 THR 98 H -0.03 0.11 0.14 -0.55 8.28 7.95 3gc3A1 THR 98 HA -0.01 0.17 0.48 -0.75 4.39 4.27 3gc3A1 THR 98 HB -0.00 -0.01 0.17 -0.04 4.32 4.43 3gc3A1 ARG 99 H -0.02 0.19 0.15 -0.55 8.46 8.23 3gc3A1 ARG 99 HA -0.03 0.11 0.46 -0.75 4.34 4.13 3gc3A1 ARG 99 HB2 -0.02 -0.01 0.15 -0.04 1.90 1.98 3gc3A1 ARG 99 HB3 -0.03 0.06 -0.05 -0.04 1.80 1.74 3gc3A1 ARG 99 HG2 -0.02 0.02 0.03 -0.04 1.67 1.66 3gc3A1 ARG 99 HG3 -0.02 0.01 0.04 -0.04 1.67 1.66 3gc3A1 ARG 99 HD2 -0.02 -0.01 0.04 -0.04 3.22 3.19 3gc3A1 ARG 99 HD3 -0.02 0.04 0.01 -0.04 3.22 3.20 3gc3A1 LEU 100 H -0.02 0.06 -0.18 -0.55 8.37 7.69 3gc3A1 LEU 100 HA -0.04 0.12 0.31 -0.75 4.35 3.99 3gc3A1 LEU 100 HB2 -0.01 0.03 0.07 -0.04 1.64 1.69 3gc3A1 LEU 100 HB3 -0.01 -0.07 0.04 -0.04 1.64 1.56 3gc3A1 LEU 100 HG -0.01 0.03 -0.30 -0.04 1.64 1.31 3gc3A1 LEU 100 HD13 -0.04 0.02 -0.05 -0.04 0.93 0.82 3gc3A1 LEU 100 HD23 0.04 0.01 0.04 -0.04 0.89 0.93 3gc3A1 GLN 101 H -0.03 0.02 -0.36 -0.55 8.47 7.55 3gc3A1 GLN 101 HA -0.05 0.09 0.15 -0.75 4.36 3.80 3gc3A1 GLN 101 HB2 -0.05 -0.01 0.07 -0.04 2.15 2.13 3gc3A1 GLN 101 HB3 -0.06 0.09 -0.04 -0.04 2.02 1.96 3gc3A1 GLN 101 HG2 -0.07 0.04 -0.15 -0.04 2.40 2.17 3gc3A1 GLN 101 HG3 -0.05 -0.19 0.06 -0.04 2.39 2.18 3gc3A1 GLN 101 HE21 -0.21 0.00 0.12 -0.04 6.97 6.84 3gc3A1 GLN 101 HE22 -0.20 0.33 0.08 -0.04 7.69 7.85 3gc3A1 GLU 102 H -0.04 0.36 -0.12 -0.55 8.60 8.26 3gc3A1 GLU 102 HA -0.05 0.03 0.42 -0.75 4.29 3.94 3gc3A1 GLU 102 HB2 -0.03 0.06 0.06 -0.04 2.09 2.13 3gc3A1 GLU 102 HB3 -0.04 -0.02 -0.03 -0.04 1.99 1.86 3gc3A1 GLU 102 HG2 -0.04 -0.03 0.01 -0.04 2.34 2.24 3gc3A1 GLU 102 HG3 -0.03 0.06 -0.03 -0.04 2.34 2.30 3gc3A1 ARG 103 H -0.04 0.73 -0.16 -0.55 8.46 8.44 3gc3A1 ARG 103 HA -0.04 -0.03 0.37 -0.75 4.34 3.88 3gc3A1 ARG 103 HB2 -0.05 0.12 0.12 -0.04 1.90 2.05 3gc3A1 ARG 103 HB3 -0.06 0.01 -0.08 -0.04 1.80 1.63 3gc3A1 ARG 103 HG2 -0.04 -0.04 0.01 -0.04 1.67 1.56 3gc3A1 ARG 103 HG3 -0.04 -0.01 0.01 -0.04 1.67 1.59 3gc3A1 ARG 103 HD2 -0.04 -0.06 -0.09 -0.04 3.22 2.99 3gc3A1 ARG 103 HD3 -0.05 -0.03 -0.14 -0.04 3.22 2.96 3gc3A1 LEU 104 H -0.06 0.53 -0.31 -0.55 8.37 7.99 3gc3A1 LEU 104 HA -0.05 0.06 0.28 -0.75 4.35 3.89 3gc3A1 LEU 104 HB2 -0.06 0.16 0.03 -0.04 1.64 1.74 3gc3A1 LEU 104 HB3 -0.12 -0.05 -0.20 -0.04 1.64 1.22 3gc3A1 LEU 104 HG -0.09 -0.02 -0.13 -0.04 1.64 1.36 3gc3A1 LEU 104 HD13 -0.00 -0.02 -0.21 -0.04 0.93 0.65 3gc3A1 LEU 104 HD23 -0.07 0.00 -0.14 -0.04 0.89 0.64 3gc3A1 ILE 105 HG12 -0.08 -0.04 -0.20 -0.04 1.49 1.13 3gc3A1 ILE 105 HG13 -0.06 0.34 -0.14 -0.04 1.21 1.30 3gc3A1 ILE 105 HG23 -0.12 0.01 -0.06 -0.04 0.93 0.71 3gc3A1 ILE 105 H -0.06 0.72 -0.02 -0.55 8.25 8.33 3gc3A1 ILE 105 HA -0.09 -0.00 0.47 -0.75 4.18 3.81 3gc3A1 ILE 105 HB -0.07 -0.01 0.15 -0.04 1.89 1.91 3gc3A1 ILE 105 HD13 -0.08 -0.03 -0.11 -0.04 0.88 0.63 3gc3A1 LYS 106 H -0.06 0.65 -0.07 -0.55 8.42 8.39 3gc3A1 LYS 106 HA -0.05 0.01 0.59 -0.75 4.32 4.12 3gc3A1 LYS 106 HB2 -0.04 0.18 0.15 -0.04 1.87 2.12 3gc3A1 LYS 106 HB3 -0.03 -0.03 -0.01 -0.04 1.79 1.67 3gc3A1 LYS 106 HG2 -0.04 -0.05 0.05 -0.04 1.46 1.38 3gc3A1 LYS 106 HG3 -0.05 -0.01 0.03 -0.04 1.46 1.39 3gc3A1 LYS 106 HD2 -0.03 -0.06 -0.01 -0.04 1.69 1.55 3gc3A1 LYS 106 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.56 3gc3A1 LYS 106 HE2 -0.03 -0.05 -0.04 -0.04 2.99 2.84 3gc3A1 LYS 106 HE3 -0.03 0.11 -0.01 -0.04 2.99 3.01 3gc3A1 LYS 107 H -0.04 0.50 -0.18 -0.55 8.42 8.14 3gc3A1 LYS 107 HA -0.01 0.00 0.27 -0.75 4.32 3.83 3gc3A1 LYS 107 HB2 -0.02 0.03 0.12 -0.04 1.87 1.96 3gc3A1 LYS 107 HB3 -0.00 -0.00 0.09 -0.04 1.79 1.83 3gc3A1 LYS 107 HG2 0.01 0.00 0.05 -0.04 1.46 1.48 3gc3A1 LYS 107 HG3 0.09 -0.01 0.18 -0.04 1.46 1.68 3gc3A1 LYS 107 HD2 0.02 0.02 0.04 -0.04 1.69 1.72 3gc3A1 LYS 107 HD3 0.00 -0.04 0.02 -0.04 1.68 1.61 3gc3A1 LYS 107 HE2 0.07 -0.01 0.03 -0.04 2.99 3.04 3gc3A1 LYS 107 HE3 0.03 -0.06 0.01 -0.04 2.99 2.92 3gc3A1 LEU 108 H -0.04 0.21 -0.81 -0.55 8.37 7.19 3gc3A1 LEU 108 HA -0.02 0.07 0.80 -0.75 4.35 4.45 3gc3A1 LEU 108 HB2 -0.09 0.49 -0.03 -0.04 1.64 1.96 3gc3A1 LEU 108 HB3 -0.08 -0.17 -0.15 -0.04 1.64 1.19 3gc3A1 LEU 108 HG -0.04 0.06 -0.26 -0.04 1.64 1.36 3gc3A1 LEU 108 HD13 -0.65 -0.05 -0.20 -0.04 0.93 -0.01 3gc3A1 LEU 108 HD23 -0.13 -0.01 0.04 -0.04 0.89 0.75 3gc3A1 GLY 109 H -0.06 0.76 0.23 -0.55 8.43 8.82 3gc3A1 GLY 109 HA2 -0.06 0.03 0.28 -0.51 4.01 3.74 3gc3A1 GLY 109 HA3 -0.03 0.06 1.03 -0.51 4.01 4.56 3gc3A1 GLU 110 H -0.29 0.04 0.25 -0.55 8.60 8.06 3gc3A1 GLU 110 HA -0.22 0.28 0.84 -0.75 4.29 4.43 3gc3A1 GLU 110 HB2 -0.17 0.02 0.15 -0.04 2.09 2.04 3gc3A1 GLU 110 HB3 -0.15 0.03 0.01 -0.04 1.99 1.84 3gc3A1 GLU 110 HG2 -0.20 -0.01 0.04 -0.04 2.34 2.14 3gc3A1 GLU 110 HG3 -0.61 -0.01 -0.00 -0.04 2.34 1.68 3gc3A1 HIS 111 H -0.32 -0.07 0.12 -0.55 8.41 7.60 3gc3A1 HIS 111 HA 0.26 0.22 0.82 -0.75 4.63 5.17 3gc3A1 HIS 111 HB2 0.04 0.02 -0.04 -0.04 3.26 3.24 3gc3A1 HIS 111 HB3 0.04 0.18 0.15 -0.04 3.20 3.53 3gc3A1 HIS 111 HD2 0.01 0.06 0.06 -0.04 6.97 7.06 3gc3A1 HIS 111 HE1 0.02 -0.02 -0.01 -0.04 7.75 7.69 3gc3A1 ALA 112 H -0.04 0.03 -0.40 -0.55 8.40 7.44 3gc3A1 ALA 112 HA 0.16 0.17 0.64 -0.75 4.34 4.56 3gc3A1 ALA 112 HB3 -0.05 0.04 -0.13 -0.04 1.41 1.23 3gc3A1 TYR 113 H 0.31 0.65 0.23 -0.55 8.29 8.94 3gc3A1 TYR 113 HA 0.05 0.20 0.94 -0.75 4.56 5.00 3gc3A1 TYR 113 HB2 0.13 -0.10 0.00 -0.04 3.06 3.05 3gc3A1 TYR 113 HB3 0.10 0.26 0.10 -0.04 2.98 3.40 3gc3A1 TYR 113 HD2 0.10 0.08 -0.17 -0.04 7.15 7.12 3gc3A1 TYR 113 HE2 0.11 -0.08 -0.02 -0.04 6.85 6.82 3gc3A1 PRO 114 HA -0.05 0.24 0.73 -0.51 4.44 4.85 3gc3A1 PRO 114 HB2 -0.04 0.01 -0.04 -0.04 2.28 2.18 3gc3A1 PRO 114 HB3 -0.04 -0.07 0.08 -0.04 2.02 1.95 3gc3A1 PRO 114 HG2 0.04 0.05 0.11 -0.04 2.03 2.18 3gc3A1 PRO 114 HG3 -0.01 -0.01 0.07 -0.04 2.03 2.04 3gc3A1 PRO 114 HD2 0.15 0.16 0.27 -0.04 3.68 4.22 3gc3A1 PRO 114 HD3 -0.02 0.15 0.20 -0.04 3.65 3.94 3gc3A1 PHE 115 H -0.44 0.58 0.25 -0.55 8.34 8.17 3gc3A1 PHE 115 HA -0.12 0.15 0.40 -0.75 4.62 4.29 3gc3A1 PHE 115 HB2 -0.29 -0.01 -0.02 -0.04 3.15 2.79 3gc3A1 PHE 115 HB3 -0.05 0.07 -0.10 -0.04 3.06 2.94 3gc3A1 PHE 115 HD2 -0.16 0.06 -0.38 -0.04 7.28 6.75 3gc3A1 PHE 115 HE2 0.18 0.03 -0.30 -0.04 7.38 7.25 3gc3A1 PHE 115 HZ 0.16 0.03 -0.17 -0.04 7.32 7.30 3gc3A1 THR 116 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.98 3gc3A1 THR 116 H -0.18 0.29 0.09 -0.55 8.28 7.94 3gc3A1 THR 116 HA -0.13 0.39 0.87 -0.75 4.39 4.75 3gc3A1 THR 116 HB -0.06 0.03 -0.01 -0.04 4.32 4.24 3gc3A1 PHE 117 H 0.07 0.43 0.20 -0.55 8.34 8.48 3gc3A1 PHE 117 HA 0.12 0.20 0.70 -0.75 4.62 4.88 3gc3A1 PHE 117 HB2 0.05 -0.06 -0.03 -0.04 3.15 3.07 3gc3A1 PHE 117 HB3 0.16 0.05 -0.07 -0.04 3.06 3.15 3gc3A1 PHE 117 HD2 0.15 0.01 -0.10 -0.04 7.28 7.30 3gc3A1 PHE 117 HE2 -0.00 0.01 -0.29 -0.04 7.38 7.06 3gc3A1 PHE 117 HZ -0.10 -0.03 -0.62 -0.04 7.32 6.53 3gc3A1 GLU 118 H 0.23 0.25 0.05 -0.55 8.60 8.58 3gc3A1 GLU 118 HA 0.07 0.14 0.79 -0.75 4.29 4.54 3gc3A1 GLU 118 HB2 0.10 -0.01 0.08 -0.04 2.09 2.22 3gc3A1 GLU 118 HB3 0.06 0.05 -0.00 -0.04 1.99 2.06 3gc3A1 GLU 118 HG2 0.06 0.06 -0.12 -0.04 2.34 2.30 3gc3A1 GLU 118 HG3 0.08 -0.06 -0.27 -0.04 2.34 2.06 3gc3A1 ILE 119 HG23 -0.17 0.06 -0.20 -0.04 0.93 0.58 3gc3A1 ILE 119 H -0.00 0.21 -0.08 -0.55 8.25 7.82 3gc3A1 ILE 119 HA -0.29 0.16 0.74 -0.75 4.18 4.05 3gc3A1 ILE 119 HB -0.09 -0.02 -0.00 -0.04 1.89 1.73 3gc3A1 ILE 119 HG12 -0.09 0.02 -0.16 -0.04 1.49 1.22 3gc3A1 ILE 119 HG13 -0.04 -0.12 -0.27 -0.04 1.21 0.74 3gc3A1 ILE 119 HD13 -0.24 0.01 -0.15 -0.04 0.88 0.46 3gc3A1 PRO 120 HA -0.01 0.09 0.41 -0.51 4.44 4.42 3gc3A1 PRO 120 HB2 -0.04 -0.08 -0.01 -0.04 2.28 2.11 3gc3A1 PRO 120 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 3gc3A1 PRO 120 HG2 -0.45 0.02 0.07 -0.04 2.03 1.63 3gc3A1 PRO 120 HG3 -0.15 0.06 0.09 -0.04 2.03 1.99 3gc3A1 PRO 120 HD2 -0.88 0.05 0.25 -0.04 3.68 3.05 3gc3A1 PRO 120 HD3 -0.21 0.26 0.20 -0.04 3.65 3.86 3gc3A1 PRO 121 HA 0.01 0.12 0.31 -0.51 4.44 4.38 3gc3A1 PRO 121 HB2 0.03 0.08 -0.07 -0.04 2.28 2.28 3gc3A1 PRO 121 HB3 0.04 -0.04 -0.17 -0.04 2.02 1.81 3gc3A1 PRO 121 HG2 0.04 0.14 -0.18 -0.04 2.03 1.98 3gc3A1 PRO 121 HG3 0.04 -0.11 -0.25 -0.04 2.03 1.67 3gc3A1 PRO 121 HD2 0.02 0.05 0.16 -0.04 3.68 3.88 3gc3A1 PRO 121 HD3 0.02 0.13 0.17 -0.04 3.65 3.93 3gc3A1 ASN 122 H 0.02 0.01 -0.25 -0.55 8.53 7.76 3gc3A1 ASN 122 HA 0.03 0.16 0.47 -0.75 4.76 4.67 3gc3A1 ASN 122 HB2 0.03 -0.04 0.02 -0.04 2.88 2.85 3gc3A1 ASN 122 HB3 0.03 -0.01 0.04 -0.04 2.79 2.81 3gc3A1 ASN 122 HD21 0.03 -0.01 -0.06 -0.04 7.03 6.95 3gc3A1 ASN 122 HD22 0.03 0.06 -0.31 -0.04 7.74 7.48 3gc3A1 LEU 123 H 0.01 0.16 -0.46 -0.55 8.37 7.54 3gc3A1 LEU 123 HA 0.06 0.06 0.51 -0.75 4.35 4.22 3gc3A1 LEU 123 HB2 0.07 0.08 -0.05 -0.04 1.64 1.70 3gc3A1 LEU 123 HB3 0.12 0.08 -0.05 -0.04 1.64 1.75 3gc3A1 LEU 123 HG -0.06 -0.11 -0.03 -0.04 1.64 1.39 3gc3A1 LEU 123 HD13 -0.28 -0.02 -0.06 -0.04 0.93 0.52 3gc3A1 LEU 123 HD23 0.07 0.01 -0.04 -0.04 0.89 0.89 3gc3A1 PRO 124 HA 0.10 0.01 0.49 -0.51 4.44 4.53 3gc3A1 PRO 124 HB2 0.13 0.14 0.03 -0.04 2.28 2.53 3gc3A1 PRO 124 HB3 0.09 0.01 0.25 -0.04 2.02 2.32 3gc3A1 PRO 124 HG2 0.07 -0.07 0.00 -0.04 2.03 2.00 3gc3A1 PRO 124 HG3 0.08 0.08 0.08 -0.04 2.03 2.23 3gc3A1 PRO 124 HD2 0.06 -0.03 0.21 -0.04 3.68 3.89 3gc3A1 PRO 124 HD3 0.06 0.17 0.22 -0.04 3.65 4.06 3gc3A1 CYS 125 H 0.12 0.05 0.16 -0.55 8.50 8.27 3gc3A1 CYS 125 HA 0.15 0.02 0.54 -0.75 4.58 4.54 3gc3A1 CYS 125 HB2 0.10 -0.03 0.10 -0.04 2.97 3.10 3gc3A1 CYS 125 HB3 0.08 0.18 0.16 -0.04 2.97 3.35 3gc3A1 SER 126 H 0.14 0.26 0.34 -0.55 8.46 8.66 3gc3A1 SER 126 HA 0.22 0.20 0.61 -0.75 4.49 4.77 3gc3A1 SER 126 HB2 0.10 0.05 0.24 -0.04 3.95 4.30 3gc3A1 SER 126 HB3 0.14 0.02 0.06 -0.04 3.93 4.11 3gc3A1 VAL 127 HG13 0.13 0.03 0.05 -0.04 0.97 1.14 3gc3A1 VAL 127 HG23 0.09 -0.02 -0.09 -0.04 0.95 0.89 3gc3A1 VAL 127 H 0.11 0.43 0.39 -0.55 8.24 8.62 3gc3A1 VAL 127 HA 0.09 0.24 0.84 -0.75 4.13 4.55 3gc3A1 VAL 127 HB 0.11 0.10 -0.15 -0.04 2.12 2.15 3gc3A1 THR 128 HG23 -0.04 -0.02 -0.16 -0.04 1.22 0.96 3gc3A1 THR 128 H 0.05 0.65 0.38 -0.55 8.28 8.81 3gc3A1 THR 128 HA 0.00 0.27 0.99 -0.75 4.39 4.89 3gc3A1 THR 128 HB -0.00 0.03 0.06 -0.04 4.32 4.36 3gc3A1 LEU 129 H -0.04 0.79 0.32 -0.55 8.37 8.90 3gc3A1 LEU 129 HA -0.07 0.32 0.96 -0.75 4.35 4.80 3gc3A1 LEU 129 HB2 -0.01 -0.03 -0.19 -0.04 1.64 1.37 3gc3A1 LEU 129 HB3 -0.03 -0.00 0.02 -0.04 1.64 1.58 3gc3A1 LEU 129 HG -0.23 -0.03 -0.49 -0.04 1.64 0.86 3gc3A1 LEU 129 HD13 -0.07 0.01 -0.22 -0.04 0.93 0.61 3gc3A1 LEU 129 HD23 -0.47 0.01 -0.31 -0.04 0.89 0.07 3gc3A1 GLN 130 H -0.11 0.27 0.09 -0.55 8.47 8.18 3gc3A1 GLN 130 HA -0.11 0.28 0.99 -0.75 4.36 4.76 3gc3A1 ALA 139 HA -0.16 0.15 0.03 -0.75 4.34 3.61 3gc3A1 ALA 139 HB3 -0.13 -0.05 0.13 -0.04 1.41 1.33 3gc3A1 CYS 140 H -0.13 0.52 0.31 -0.55 8.50 8.64 3gc3A1 CYS 140 HA -0.26 0.17 0.75 -0.75 4.58 4.48 3gc3A1 CYS 140 HB2 -0.32 0.09 0.25 -0.04 2.97 2.95 3gc3A1 CYS 140 HB3 -0.29 -0.05 -0.03 -0.04 2.97 2.56 3gc3A1 GLY 141 H -0.43 0.61 0.44 -0.55 8.43 8.50 3gc3A1 GLY 141 HA2 0.03 0.02 0.35 -0.51 4.01 3.90 3gc3A1 GLY 141 HA3 -0.04 0.17 0.71 -0.51 4.01 4.33 3gc3A1 VAL 142 HG13 0.01 -0.00 -0.26 -0.04 0.97 0.68 3gc3A1 VAL 142 HG23 0.27 -0.01 -0.08 -0.04 0.95 1.09 3gc3A1 VAL 142 H 0.08 0.48 0.42 -0.55 8.24 8.68 3gc3A1 VAL 142 HA 0.05 0.36 1.18 -0.75 4.13 4.97 3gc3A1 VAL 142 HB 0.14 0.09 0.18 -0.04 2.12 2.49 3gc3A1 ASP 143 H -0.06 0.50 0.37 -0.55 8.40 8.66 3gc3A1 ASP 143 HA 0.11 0.18 1.00 -0.75 4.63 5.17 3gc3A1 ASP 143 HB2 -0.02 -0.03 -0.11 -0.04 2.71 2.51 3gc3A1 ASP 143 HB3 0.05 0.01 -0.04 -0.04 2.70 2.67 3gc3A1 TYR 144 H 0.22 0.32 0.24 -0.55 8.29 8.53 3gc3A1 TYR 144 HA 0.03 0.32 0.96 -0.75 4.56 5.11 3gc3A1 TYR 144 HB2 0.06 0.17 0.05 -0.04 3.06 3.30 3gc3A1 TYR 144 HB3 0.02 -0.05 -0.10 -0.04 2.98 2.81 3gc3A1 TYR 144 HD2 0.02 -0.03 -0.14 -0.04 7.15 6.95 3gc3A1 TYR 144 HE2 -0.04 0.05 -0.15 -0.04 6.85 6.67 3gc3A1 GLU 145 H 0.03 0.64 0.37 -0.55 8.60 9.09 3gc3A1 GLU 145 HA 0.05 0.29 1.31 -0.75 4.29 5.19 3gc3A1 GLU 145 HB2 -0.00 -0.02 -0.15 -0.04 2.09 1.88 3gc3A1 GLU 145 HB3 -0.03 -0.06 0.09 -0.04 1.99 1.96 3gc3A1 GLU 145 HG2 -0.03 0.05 -0.36 -0.04 2.34 1.96 3gc3A1 GLU 145 HG3 -0.01 0.02 -0.15 -0.04 2.34 2.16 3gc3A1 VAL 146 HG13 0.00 -0.00 -0.24 -0.04 0.97 0.69 3gc3A1 VAL 146 HG23 0.06 -0.01 -0.10 -0.04 0.95 0.86 3gc3A1 VAL 146 H 0.00 0.69 0.36 -0.55 8.24 8.74 3gc3A1 VAL 146 HA -0.09 0.30 1.11 -0.75 4.13 4.70 3gc3A1 VAL 146 HB -0.02 -0.04 0.12 -0.04 2.12 2.15 3gc3A1 LYS 147 H -0.03 0.81 0.33 -0.55 8.42 8.98 3gc3A1 LYS 147 HA 0.01 0.35 1.04 -0.75 4.32 4.97 3gc3A1 LYS 147 HB2 -0.02 -0.02 -0.16 -0.04 1.87 1.64 3gc3A1 LYS 147 HB3 0.04 -0.03 0.08 -0.04 1.79 1.84 3gc3A1 LYS 147 HG2 0.13 -0.06 -0.21 -0.04 1.46 1.28 3gc3A1 LYS 147 HG3 0.08 0.08 -0.17 -0.04 1.46 1.41 3gc3A1 LYS 147 HD2 -0.09 -0.04 -0.16 -0.04 1.69 1.36 3gc3A1 LYS 147 HD3 -0.07 0.01 -0.13 -0.04 1.68 1.45 3gc3A1 LYS 147 HE2 -0.17 0.00 -0.10 -0.04 2.99 2.68 3gc3A1 LYS 147 HE3 -0.21 -0.00 -0.10 -0.04 2.99 2.64 3gc3A1 ALA 148 H 0.02 0.67 0.30 -0.55 8.40 8.83 3gc3A1 ALA 148 HA -0.02 0.29 1.13 -0.75 4.34 4.98 3gc3A1 ALA 148 HB3 -0.07 -0.00 0.03 -0.04 1.41 1.33 3gc3A1 PHE 149 H -0.32 0.71 0.29 -0.55 8.34 8.47 3gc3A1 PHE 149 HA 0.02 0.16 0.82 -0.75 4.62 4.87 3gc3A1 PHE 149 HB2 0.03 0.02 -0.00 -0.04 3.15 3.16 3gc3A1 PHE 149 HB3 -0.00 -0.04 -0.16 -0.04 3.06 2.82 3gc3A1 PHE 149 HD2 0.02 -0.01 -0.45 -0.04 7.28 6.81 3gc3A1 PHE 149 HE2 -0.09 0.04 -0.17 -0.04 7.38 7.12 3gc3A1 PHE 149 HZ -0.19 -0.01 -0.12 -0.04 7.32 6.97 3gc3A1 CYS 150 H 0.19 0.18 0.19 -0.55 8.50 8.50 3gc3A1 CYS 150 HA 0.03 0.31 1.12 -0.75 4.58 5.29 3gc3A1 CYS 150 HB2 0.08 -0.09 0.17 -0.04 2.97 3.08 3gc3A1 CYS 150 HB3 0.04 0.11 0.06 -0.04 2.97 3.14 3gc3A1 ALA 151 H 0.16 0.68 0.17 -0.55 8.40 8.86 3gc3A1 ALA 151 HA 0.15 -0.01 0.39 -0.75 4.34 4.12 3gc3A1 ALA 151 HB3 0.28 0.03 -0.17 -0.04 1.41 1.50 3gc3A1 GLU 152 H 0.11 0.06 0.11 -0.55 8.60 8.33 3gc3A1 GLU 152 HA 0.11 0.01 0.27 -0.75 4.29 3.92 3gc3A1 GLU 152 HB2 0.07 -0.11 0.16 -0.04 2.09 2.17 3gc3A1 GLU 152 HB3 0.06 0.02 0.02 -0.04 1.99 2.05 3gc3A1 GLU 152 HG2 0.06 0.09 0.07 -0.04 2.34 2.51 3gc3A1 GLU 152 HG3 0.07 -0.03 0.12 -0.04 2.34 2.46 3gc3A1 ASN 153 H 0.08 0.02 -0.01 -0.55 8.53 8.07 3gc3A1 ASN 153 HA 0.12 0.24 0.82 -0.75 4.76 5.19 3gc3A1 ASN 153 HB2 0.02 -0.15 0.16 -0.04 2.88 2.86 3gc3A1 ASN 153 HB3 0.04 0.05 0.08 -0.04 2.79 2.92 3gc3A1 ASN 153 HD21 -0.01 0.54 0.17 -0.04 7.03 7.69 3gc3A1 ASN 153 HD22 -0.01 -0.11 0.07 -0.04 7.74 7.65 3gc3A1 LEU 154 H -0.05 0.13 0.05 -0.55 8.37 7.95 3gc3A1 LEU 154 HA -0.36 0.20 0.62 -0.75 4.35 4.06 3gc3A1 LEU 154 HB2 -0.12 -0.04 0.05 -0.04 1.64 1.49 3gc3A1 LEU 154 HB3 -0.15 0.01 -0.08 -0.04 1.64 1.38 3gc3A1 LEU 154 HG -0.62 0.03 -0.07 -0.04 1.64 0.93 3gc3A1 LEU 154 HD13 -0.04 0.00 -0.05 -0.04 0.93 0.80 3gc3A1 LEU 154 HD23 -0.35 0.01 -0.07 -0.04 0.89 0.44 3gc3A1 GLU 155 H -0.05 0.04 -0.17 -0.55 8.60 7.88 3gc3A1 GLU 155 HA -0.08 0.18 0.76 -0.75 4.29 4.40 3gc3A1 GLU 155 HB2 -0.03 -0.05 0.15 -0.04 2.09 2.12 3gc3A1 GLU 155 HB3 -0.04 0.03 0.04 -0.04 1.99 1.97 3gc3A1 GLU 155 HG2 -0.04 0.02 -0.02 -0.04 2.34 2.26 3gc3A1 GLU 155 HG3 -0.06 0.07 -0.10 -0.04 2.34 2.21 3gc3A1 GLU 156 H -0.09 0.43 -0.00 -0.55 8.60 8.39 3gc3A1 GLU 156 HA -0.03 0.08 0.56 -0.75 4.29 4.15 3gc3A1 GLU 156 HB2 0.01 -0.03 -0.54 -0.04 2.09 1.49 3gc3A1 GLU 156 HB3 0.02 0.11 -0.32 -0.04 1.99 1.76 3gc3A1 GLU 156 HG2 0.01 -0.22 0.11 -0.04 2.34 2.19 3gc3A1 GLU 156 HG3 0.03 0.02 0.07 -0.04 2.34 2.42 3gc3A1 LYS 157 H -0.05 0.13 0.08 -0.55 8.42 8.03 3gc3A1 LYS 157 HA -0.17 0.08 0.42 -0.75 4.32 3.89 3gc3A1 LYS 157 HB2 -0.07 -0.03 0.10 -0.04 1.87 1.83 3gc3A1 LYS 157 HB3 -0.17 -0.00 0.13 -0.04 1.79 1.70 3gc3A1 LYS 157 HG2 -0.33 0.11 -0.17 -0.04 1.46 1.04 3gc3A1 LYS 157 HG3 -0.12 -0.01 -0.01 -0.04 1.46 1.28 3gc3A1 LYS 157 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.61 3gc3A1 LYS 157 HD3 0.08 -0.02 -0.04 -0.04 1.68 1.65 3gc3A1 LYS 157 HE2 -0.04 0.01 -0.09 -0.04 2.99 2.83 3gc3A1 LYS 157 HE3 -0.05 0.02 -0.04 -0.04 2.99 2.87 3gc3A1 ILE 158 HG23 -0.17 -0.02 -0.27 -0.04 0.93 0.42 3gc3A1 ILE 158 H -0.25 0.18 0.21 -0.55 8.25 7.85 3gc3A1 ILE 158 HA -0.19 0.12 0.57 -0.75 4.18 3.92 3gc3A1 ILE 158 HB -0.25 -0.02 0.09 -0.04 1.89 1.67 3gc3A1 ILE 158 HG12 -0.61 0.02 -0.11 -0.04 1.49 0.75 3gc3A1 ILE 158 HG13 -0.36 0.11 -0.00 -0.04 1.21 0.92 3gc3A1 ILE 158 HD13 -0.64 0.00 -0.06 -0.04 0.88 0.14 3gc3A1 HIS 159 H 0.01 0.21 0.13 -0.55 8.41 8.21 3gc3A1 HIS 159 HA -0.02 0.22 0.93 -0.75 4.63 5.00 3gc3A1 HIS 159 HB2 0.01 -0.09 0.21 -0.04 3.26 3.34 3gc3A1 HIS 159 HB3 -0.00 0.03 0.00 -0.04 3.20 3.19 3gc3A1 HIS 159 HD2 -0.01 0.00 -0.08 -0.04 6.97 6.84 3gc3A1 HIS 159 HE1 0.01 -0.03 0.02 -0.04 7.75 7.70 3gc3A1 LYS 160 H 0.00 0.27 0.03 -0.55 8.42 8.17 3gc3A1 LYS 160 HA 0.01 0.04 0.40 -0.75 4.32 4.02 3gc3A1 LYS 160 HB2 0.01 0.01 0.19 -0.04 1.87 2.04 3gc3A1 LYS 160 HB3 -0.01 0.05 0.14 -0.04 1.79 1.94 3gc3A1 LYS 160 HG2 -0.04 -0.02 -0.00 -0.04 1.46 1.35 3gc3A1 LYS 160 HG3 -0.02 0.02 0.09 -0.04 1.46 1.50 3gc3A1 LYS 160 HD2 -0.02 0.01 0.03 -0.04 1.69 1.67 3gc3A1 LYS 160 HD3 -0.03 0.01 -0.01 -0.04 1.68 1.61 3gc3A1 LYS 160 HE2 -0.07 0.00 -0.03 -0.04 2.99 2.86 3gc3A1 LYS 160 HE3 -0.04 0.00 0.01 -0.04 2.99 2.91 3gc3A1 ARG 161 H 0.06 0.71 0.65 -0.55 8.46 9.33 3gc3A1 ARG 161 HA 0.02 0.17 0.93 -0.75 4.34 4.71 3gc3A1 ARG 161 HB2 0.03 0.06 -0.30 -0.04 1.90 1.64 3gc3A1 ARG 161 HB3 0.05 -0.05 -0.06 -0.04 1.80 1.70 3gc3A1 ARG 161 HG2 0.00 -0.01 -0.21 -0.04 1.67 1.40 3gc3A1 ARG 161 HG3 0.00 0.01 0.03 -0.04 1.67 1.68 3gc3A1 ARG 161 HD2 -0.01 0.00 -0.05 -0.04 3.22 3.12 3gc3A1 ARG 161 HD3 -0.04 -0.01 -0.05 -0.04 3.22 3.08 3gc3A1 ASN 162 H 0.07 0.30 0.29 -0.55 8.53 8.64 3gc3A1 ASN 162 HA 0.03 0.10 0.87 -0.75 4.76 4.99 3gc3A1 ASN 162 HB2 0.03 0.02 0.23 -0.04 2.88 3.11 3gc3A1 ASN 162 HB3 0.02 0.02 0.09 -0.04 2.79 2.88 3gc3A1 ASN 162 HD21 0.09 0.08 0.09 -0.04 7.03 7.25 3gc3A1 ASN 162 HD22 0.04 0.03 0.07 -0.04 7.74 7.83 3gc3A1 SER 163 H 0.05 0.04 0.11 -0.55 8.46 8.11 3gc3A1 SER 163 HA 0.10 0.30 0.97 -0.75 4.49 5.10 3gc3A1 SER 163 HB2 0.11 0.12 0.02 -0.04 3.95 4.17 3gc3A1 SER 163 HB3 0.15 -0.09 0.07 -0.04 3.93 4.02 3gc3A1 VAL 164 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 3gc3A1 VAL 164 HG23 -0.06 0.04 -0.33 -0.04 0.95 0.56 3gc3A1 VAL 164 H 0.06 0.85 0.34 -0.55 8.24 8.93 3gc3A1 VAL 164 HA -0.01 0.11 0.68 -0.75 4.13 4.15 3gc3A1 VAL 164 HB -0.01 0.03 -0.34 -0.04 2.12 1.76 3gc3A1 ARG 165 H -0.04 0.28 0.13 -0.55 8.46 8.28 3gc3A1 ARG 165 HA -0.05 0.39 1.04 -0.75 4.34 4.97 3gc3A1 ARG 165 HB2 -0.03 -0.01 0.05 -0.04 1.90 1.86 3gc3A1 ARG 165 HB3 -0.03 0.03 -0.05 -0.04 1.80 1.70 3gc3A1 ARG 165 HG2 -0.02 0.07 -0.38 -0.04 1.67 1.30 3gc3A1 ARG 165 HG3 -0.02 -0.04 -0.24 -0.04 1.67 1.33 3gc3A1 ARG 165 HD2 -0.04 0.03 -0.13 -0.04 3.22 3.03 3gc3A1 ARG 165 HD3 -0.05 -0.04 -0.14 -0.04 3.22 2.96 3gc3A1 LEU 166 H -0.09 0.73 0.31 -0.55 8.37 8.77 3gc3A1 LEU 166 HA -0.28 0.10 0.76 -0.75 4.35 4.17 3gc3A1 LEU 166 HB2 -0.26 -0.04 0.04 -0.04 1.64 1.34 3gc3A1 LEU 166 HB3 -1.03 0.06 -0.16 -0.04 1.64 0.47 3gc3A1 LEU 166 HG -0.29 -0.05 -0.42 -0.04 1.64 0.84 3gc3A1 LEU 166 HD13 -0.31 0.01 -0.22 -0.04 0.93 0.37 3gc3A1 LEU 166 HD23 -1.16 0.02 -0.10 -0.04 0.89 -0.38 3gc3A1 VAL 167 HG13 0.13 0.02 -0.03 -0.04 0.97 1.04 3gc3A1 VAL 167 HG23 0.06 -0.01 -0.06 -0.04 0.95 0.90 3gc3A1 VAL 167 H 0.08 0.16 0.10 -0.55 8.24 8.03 3gc3A1 VAL 167 HA 0.10 0.29 1.08 -0.75 4.13 4.84 3gc3A1 VAL 167 HB 0.14 -0.06 0.17 -0.04 2.12 2.34 3gc3A1 ILE 168 HG23 0.40 -0.02 -0.12 -0.04 0.93 1.14 3gc3A1 ILE 168 H 0.18 0.23 0.18 -0.55 8.25 8.29 3gc3A1 ILE 168 HA 0.31 0.22 0.85 -0.75 4.18 4.80 3gc3A1 ILE 168 HB 0.47 0.09 0.04 -0.04 1.89 2.45 3gc3A1 ILE 168 HG12 0.16 -0.04 -0.13 -0.04 1.49 1.43 3gc3A1 ILE 168 HG13 0.17 -0.02 -0.29 -0.04 1.21 1.02 3gc3A1 ILE 168 HD13 -0.03 -0.01 -0.20 -0.04 0.88 0.60 3gc3A1 ARG 169 H 0.15 0.67 0.44 -0.55 8.46 9.17 3gc3A1 ARG 169 HA 0.09 0.14 0.95 -0.75 4.34 4.77 3gc3A1 ARG 169 HB2 -0.00 -0.09 0.12 -0.04 1.90 1.88 3gc3A1 ARG 169 HB3 0.02 0.09 0.01 -0.04 1.80 1.89 3gc3A1 ARG 169 HG2 0.10 0.06 -0.02 -0.04 1.67 1.77 3gc3A1 ARG 169 HG3 0.06 -0.03 -0.25 -0.04 1.67 1.41 3gc3A1 ARG 169 HD2 0.06 0.31 0.13 -0.04 3.22 3.68 3gc3A1 ARG 169 HD3 0.07 -0.13 0.05 -0.04 3.22 3.17 3gc3A1 LYS 170 H -0.21 0.15 0.18 -0.55 8.42 7.98 3gc3A1 LYS 170 HA -0.09 0.33 0.92 -0.75 4.32 4.72 3gc3A1 LYS 170 HB2 -0.67 -0.02 0.05 -0.04 1.87 1.19 3gc3A1 LYS 170 HB3 -0.33 -0.01 0.15 -0.04 1.79 1.56 3gc3A1 LYS 170 HG2 -0.06 -0.03 -0.15 -0.04 1.46 1.17 3gc3A1 LYS 170 HG3 -0.09 0.08 0.03 -0.04 1.46 1.44 3gc3A1 LYS 170 HD2 -0.05 -0.05 -0.12 -0.04 1.69 1.44 3gc3A1 LYS 170 HD3 -0.20 -0.06 -0.12 -0.04 1.68 1.26 3gc3A1 LYS 170 HE2 0.08 0.03 -0.27 -0.04 2.99 2.79 3gc3A1 LYS 170 HE3 0.02 -0.14 -0.26 -0.04 2.99 2.58 3gc3A1 VAL 171 HG13 -0.15 0.01 -0.12 -0.04 0.97 0.67 3gc3A1 VAL 171 HG23 -0.56 0.01 -0.16 -0.04 0.95 0.20 3gc3A1 VAL 171 H -0.09 0.55 0.24 -0.55 8.24 8.39 3gc3A1 VAL 171 HA -0.00 0.20 0.96 -0.75 4.13 4.53 3gc3A1 VAL 171 HB -0.25 0.01 0.09 -0.04 2.12 1.93 3gc3A1 GLN 172 H 0.09 0.15 0.22 -0.55 8.47 8.39 3gc3A1 GLN 172 HA 0.04 0.16 0.95 -0.75 4.36 4.76 3gc3A1 GLN 172 HB2 0.06 -0.00 0.10 -0.04 2.15 2.27 3gc3A1 GLN 172 HB3 0.08 -0.04 0.22 -0.04 2.02 2.24 3gc3A1 GLN 172 HG2 0.04 -0.00 -0.02 -0.04 2.40 2.37 3gc3A1 GLN 172 HG3 0.04 0.08 -0.35 -0.04 2.39 2.11 3gc3A1 GLN 172 HE21 0.05 -0.27 -0.02 -0.04 6.97 6.70 3gc3A1 GLN 172 HE22 0.05 0.62 0.22 -0.04 7.69 8.54 3gc3A1 TYR 173 H 0.08 0.51 0.39 -0.55 8.29 8.72 3gc3A1 TYR 173 HA 0.10 0.30 0.98 -0.75 4.56 5.18 3gc3A1 TYR 173 HB2 -0.08 0.02 -0.08 -0.04 3.06 2.88 3gc3A1 TYR 173 HB3 -0.23 0.05 0.06 -0.04 2.98 2.81 3gc3A1 TYR 173 HD2 0.09 0.11 -0.07 -0.04 7.15 7.23 3gc3A1 TYR 173 HE2 -0.03 -0.05 -0.06 -0.04 6.85 6.67 3gc3A1 ALA 174 H -0.44 0.29 0.11 -0.55 8.40 7.82 3gc3A1 ALA 174 HA -0.35 0.10 0.27 -0.75 4.34 3.60 3gc3A1 ALA 174 HB3 -0.13 0.02 -0.02 -0.04 1.41 1.24 3gc3A1 PRO 175 HA -0.07 0.05 0.58 -0.51 4.44 4.49 3gc3A1 PRO 175 HB2 0.04 0.19 0.03 -0.04 2.28 2.50 3gc3A1 PRO 175 HB3 0.14 -0.03 0.09 -0.04 2.02 2.18 3gc3A1 PRO 175 HG2 -0.00 0.06 -0.00 -0.04 2.03 2.05 3gc3A1 PRO 175 HG3 0.06 0.01 0.04 -0.04 2.03 2.10 3gc3A1 PRO 175 HD2 -0.08 0.09 0.14 -0.04 3.68 3.79 3gc3A1 PRO 175 HD3 -0.01 0.10 0.08 -0.04 3.65 3.78 3gc3A1 GLU 176 H 0.08 0.05 0.15 -0.55 8.60 8.34 3gc3A1 GLU 176 HA -0.08 0.03 0.57 -0.75 4.29 4.06 3gc3A1 GLU 176 HB2 0.02 -0.03 0.07 -0.04 2.09 2.12 3gc3A1 GLU 176 HB3 -0.04 0.03 0.12 -0.04 1.99 2.06 3gc3A1 GLU 176 HG2 -0.05 0.12 0.11 -0.04 2.34 2.48 3gc3A1 GLU 176 HG3 0.19 -0.05 0.10 -0.04 2.34 2.54 3gc3A1 ARG 177 H -0.06 0.03 0.18 -0.55 8.46 8.05 3gc3A1 ARG 177 HA -0.02 0.14 0.57 -0.75 4.34 4.28 3gc3A1 ARG 177 HB2 -0.04 -0.06 0.08 -0.04 1.90 1.84 3gc3A1 ARG 177 HB3 -0.02 0.11 0.06 -0.04 1.80 1.91 3gc3A1 ARG 177 HG2 -0.03 0.03 -0.06 -0.04 1.67 1.57 3gc3A1 ARG 177 HG3 -0.05 -0.02 -0.05 -0.04 1.67 1.50 3gc3A1 ARG 177 HD2 -0.03 -0.07 -0.03 -0.04 3.22 3.05 3gc3A1 ARG 177 HD3 -0.02 0.03 -0.02 -0.04 3.22 3.17 3gc3A1 PRO 178 HA -0.01 0.03 0.61 -0.51 4.44 4.56 3gc3A1 PRO 178 HB2 -0.00 0.00 -0.02 -0.04 2.28 2.22 3gc3A1 PRO 178 HB3 0.00 -0.00 0.12 -0.04 2.02 2.10 3gc3A1 PRO 178 HG2 -0.00 0.02 0.05 -0.04 2.03 2.06 3gc3A1 PRO 178 HG3 0.00 0.02 0.07 -0.04 2.03 2.08 3gc3A1 PRO 178 HD2 -0.01 0.08 0.25 -0.04 3.68 3.95 3gc3A1 PRO 178 HD3 -0.00 0.19 0.19 -0.04 3.65 3.99 3gc3A1 GLY 179 H -0.01 0.06 0.16 -0.55 8.43 8.10 3gc3A1 GLY 179 HA2 -0.00 -0.06 0.25 -0.51 4.01 3.68 3gc3A1 GLY 179 HA3 -0.00 0.13 0.10 -0.51 4.01 3.73 3gc3A1 PRO 180 HA -0.00 -0.04 0.30 -0.51 4.44 4.20 3gc3A1 PRO 180 HB2 0.00 0.17 -0.01 -0.04 2.28 2.41 3gc3A1 PRO 180 HB3 0.00 -0.05 0.10 -0.04 2.02 2.03 3gc3A1 PRO 180 HG2 0.00 0.06 0.08 -0.04 2.03 2.13 3gc3A1 PRO 180 HG3 0.00 -0.02 0.08 -0.04 2.03 2.05 3gc3A1 PRO 180 HD2 -0.00 0.16 0.18 -0.04 3.68 3.98 3gc3A1 PRO 180 HD3 0.00 0.03 0.18 -0.04 3.65 3.82 3gc3A1 GLN 181 H -0.00 0.01 0.13 -0.55 8.47 8.06 3gc3A1 GLN 181 HA -0.01 0.10 0.50 -0.75 4.36 4.20 3gc3A1 GLN 181 HB2 -0.00 -0.14 0.10 -0.04 2.15 2.07 3gc3A1 GLN 181 HB3 0.01 0.16 0.10 -0.04 2.02 2.25 3gc3A1 GLN 181 HG2 -0.01 0.05 -0.33 -0.04 2.40 2.07 3gc3A1 GLN 181 HG3 -0.02 -0.18 -0.36 -0.04 2.39 1.79 3gc3A1 GLN 181 HE21 -0.02 -0.05 0.04 -0.04 6.97 6.90 3gc3A1 GLN 181 HE22 -0.01 -0.05 0.04 -0.04 7.69 7.63 3gc3A1 PRO 182 HA 0.03 0.09 0.61 -0.51 4.44 4.66 3gc3A1 PRO 182 HB2 0.06 -0.15 0.06 -0.04 2.28 2.21 3gc3A1 PRO 182 HB3 0.07 0.11 0.12 -0.04 2.02 2.27 3gc3A1 PRO 182 HG2 0.11 0.18 0.20 -0.04 2.03 2.48 3gc3A1 PRO 182 HG3 0.06 0.02 0.12 -0.04 2.03 2.18 3gc3A1 PRO 182 HD2 0.03 0.14 0.11 -0.04 3.68 3.92 3gc3A1 PRO 182 HD3 0.01 0.04 -0.10 -0.04 3.65 3.56 3gc3A1 THR 183 HG23 0.02 -0.02 -0.04 -0.04 1.22 1.13 3gc3A1 THR 183 H 0.02 0.24 0.26 -0.55 8.28 8.25 3gc3A1 THR 183 HA 0.01 0.28 1.06 -0.75 4.39 4.99 3gc3A1 THR 183 HB 0.01 0.06 -0.31 -0.04 4.32 4.04 3gc3A1 ALA 184 H 0.00 0.56 0.43 -0.55 8.40 8.84 3gc3A1 ALA 184 HA 0.01 0.14 1.00 -0.75 4.34 4.73 3gc3A1 ALA 184 HB3 0.01 -0.00 -0.02 -0.04 1.41 1.36 3gc3A1 GLU 185 H 0.01 0.25 0.30 -0.55 8.60 8.62 3gc3A1 GLU 185 HA -0.05 0.23 0.76 -0.75 4.29 4.48 3gc3A1 GLU 185 HB2 -0.07 0.07 0.18 -0.04 2.09 2.24 3gc3A1 GLU 185 HB3 0.02 -0.01 -0.05 -0.04 1.99 1.91 3gc3A1 GLU 185 HG2 0.07 -0.06 0.02 -0.04 2.34 2.34 3gc3A1 GLU 185 HG3 0.16 -0.01 -0.21 -0.04 2.34 2.24 3gc3A1 THR 186 HG23 -0.02 0.00 -0.16 -0.04 1.22 1.01 3gc3A1 THR 186 H -0.11 0.70 0.46 -0.55 8.28 8.78 3gc3A1 THR 186 HA 0.04 0.18 1.00 -0.75 4.39 4.85 3gc3A1 THR 186 HB -0.01 0.03 -0.14 -0.04 4.32 4.17 3gc3A1 THR 187 HG23 0.01 -0.01 -0.15 -0.04 1.22 1.02 3gc3A1 THR 187 H 0.03 0.29 0.23 -0.55 8.28 8.29 3gc3A1 THR 187 HA 0.10 0.28 0.99 -0.75 4.39 5.02 3gc3A1 THR 187 HB 0.03 -0.02 0.09 -0.04 4.32 4.39 3gc3A1 ARG 188 H -0.05 0.66 0.33 -0.55 8.46 8.84 3gc3A1 ARG 188 HA -0.17 0.18 0.99 -0.75 4.34 4.58 3gc3A1 ARG 188 HB2 -0.20 0.02 -0.02 -0.04 1.90 1.66 3gc3A1 ARG 188 HB3 -0.30 -0.02 0.12 -0.04 1.80 1.56 3gc3A1 ARG 188 HG2 -1.06 0.02 -0.15 -0.04 1.67 0.44 3gc3A1 ARG 188 HG3 -1.47 -0.08 -0.53 -0.04 1.67 -0.45 3gc3A1 ARG 188 HD2 -0.41 0.02 -0.11 -0.04 3.22 2.68 3gc3A1 ARG 188 HD3 -0.26 0.01 0.06 -0.04 3.22 2.99 3gc3A1 GLN 189 H -0.19 0.23 0.12 -0.55 8.47 8.09 3gc3A1 GLN 189 HA -0.14 0.23 0.74 -0.75 4.36 4.43 3gc3A1 GLN 189 HB2 -0.07 -0.06 0.08 -0.04 2.15 2.06 3gc3A1 GLN 189 HB3 -0.03 0.20 -0.06 -0.04 2.02 2.08 3gc3A1 GLN 189 HG2 -0.02 0.05 -0.55 -0.04 2.40 1.85 3gc3A1 GLN 189 HG3 -0.05 -0.10 -0.37 -0.04 2.39 1.82 3gc3A1 GLN 189 HE21 -0.02 -0.05 -0.03 -0.04 6.97 6.84 3gc3A1 GLN 189 HE22 -0.02 -0.04 -0.12 -0.04 7.69 7.46 3gc3A1 PHE 190 H 0.07 0.16 0.05 -0.55 8.34 8.06 3gc3A1 PHE 190 HA 0.01 0.10 0.59 -0.75 4.62 4.57 3gc3A1 PHE 190 HB2 0.01 0.01 0.05 -0.04 3.15 3.18 3gc3A1 PHE 190 HB3 0.00 -0.01 0.13 -0.04 3.06 3.15 3gc3A1 PHE 190 HD2 0.01 -0.03 0.01 -0.04 7.28 7.22 3gc3A1 PHE 190 HE2 0.01 0.06 -0.06 -0.04 7.38 7.34 3gc3A1 PHE 190 HZ 0.00 0.05 -0.12 -0.04 7.32 7.21 3gc3A1 LEU 191 H 0.19 0.09 0.17 -0.55 8.37 8.27 3gc3A1 LEU 191 HA 0.06 0.03 0.42 -0.75 4.35 4.10 3gc3A1 LEU 191 HB2 0.08 -0.01 0.20 -0.04 1.64 1.87 3gc3A1 LEU 191 HB3 0.06 0.03 0.05 -0.04 1.64 1.74 3gc3A1 LEU 191 HG 0.03 0.01 0.01 -0.04 1.64 1.65 3gc3A1 LEU 191 HD13 0.03 -0.00 0.10 -0.04 0.93 1.01 3gc3A1 LEU 191 HD23 0.03 0.00 0.03 -0.04 0.89 0.91 3gc3A1 MET 192 H 0.03 0.11 0.19 -0.55 8.47 8.26 3gc3A1 MET 192 HA 0.03 -0.02 0.40 -0.75 4.52 4.17 3gc3A1 MET 192 HB2 0.04 0.33 -0.05 -0.04 2.15 2.43 3gc3A1 MET 192 HB3 0.02 -0.05 0.14 -0.04 2.03 2.11 3gc3A1 MET 192 HG2 0.03 -0.11 -0.31 -0.04 2.63 2.20 3gc3A1 MET 192 HG3 0.02 0.01 -0.09 -0.04 2.56 2.46 3gc3A1 MET 192 HE3 0.02 -0.02 0.05 -0.04 2.10 2.11 3gc3A1 SER 193 H 0.06 0.52 -0.55 -0.55 8.46 7.95 3gc3A1 SER 193 HA 0.04 0.21 1.10 -0.75 4.49 5.08 3gc3A1 SER 193 HB2 0.07 0.06 -0.08 -0.04 3.95 3.97 3gc3A1 SER 193 HB3 0.11 -0.02 0.01 -0.04 3.93 4.00 3gc3A1 ASP 194 H 0.03 0.07 0.17 -0.55 8.40 8.12 3gc3A1 ASP 194 HA 0.01 0.24 0.74 -0.75 4.63 4.86 3gc3A1 ASP 194 HB2 0.01 -0.02 0.03 -0.04 2.71 2.69 3gc3A1 ASP 194 HB3 0.00 0.00 0.13 -0.04 2.70 2.79 3gc3A1 LYS 195 H 0.04 -0.07 0.12 -0.55 8.42 7.96 3gc3A1 LYS 195 HA 0.02 0.16 0.71 -0.75 4.32 4.47 3gc3A1 LYS 195 HB2 0.07 -0.17 0.11 -0.04 1.87 1.83 3gc3A1 LYS 195 HB3 0.05 0.29 -0.06 -0.04 1.79 2.03 3gc3A1 LYS 195 HG2 0.03 0.05 0.08 -0.04 1.46 1.58 3gc3A1 LYS 195 HG3 0.03 -0.21 0.13 -0.04 1.46 1.36 3gc3A1 LYS 195 HD2 0.04 -0.16 0.10 -0.04 1.69 1.63 3gc3A1 LYS 195 HD3 0.03 0.37 0.16 -0.04 1.68 2.20 3gc3A1 LYS 195 HE2 0.02 0.01 0.04 -0.04 2.99 3.02 3gc3A1 LYS 195 HE3 0.02 -0.06 0.05 -0.04 2.99 2.96 3gc3A1 PRO 196 HA -0.00 0.29 0.58 -0.51 4.44 4.80 3gc3A1 PRO 196 HB2 0.03 -0.00 -0.07 -0.04 2.28 2.19 3gc3A1 PRO 196 HB3 -0.01 0.05 -0.01 -0.04 2.02 2.01 3gc3A1 PRO 196 HG2 0.02 -0.03 0.10 -0.04 2.03 2.08 3gc3A1 PRO 196 HG3 -0.01 0.05 0.07 -0.04 2.03 2.10 3gc3A1 PRO 196 HD2 0.03 0.07 0.22 -0.04 3.68 3.96 3gc3A1 PRO 196 HD3 0.01 0.26 0.29 -0.04 3.65 4.18 3gc3A1 LEU 197 H 0.00 0.72 0.34 -0.55 8.37 8.89 3gc3A1 LEU 197 HA 0.11 0.14 0.79 -0.75 4.35 4.64 3gc3A1 LEU 197 HB2 0.24 -0.05 0.14 -0.04 1.64 1.92 3gc3A1 LEU 197 HB3 0.11 -0.01 0.20 -0.04 1.64 1.90 3gc3A1 LEU 197 HG 0.09 0.00 -0.28 -0.04 1.64 1.41 3gc3A1 LEU 197 HD13 0.09 0.03 -0.08 -0.04 0.93 0.93 3gc3A1 LEU 197 HD23 0.23 -0.01 -0.11 -0.04 0.89 0.96 3gc3A1 HIS 198 H 0.15 0.70 0.26 -0.55 8.41 8.98 3gc3A1 HIS 198 HA 0.02 0.29 1.08 -0.75 4.63 5.26 3gc3A1 HIS 198 HB2 0.02 -0.04 0.01 -0.04 3.26 3.21 3gc3A1 HIS 198 HB3 0.04 -0.06 0.18 -0.04 3.20 3.32 3gc3A1 HIS 198 HD2 0.05 -0.05 -0.12 -0.04 6.97 6.81 3gc3A1 HIS 198 HE1 0.02 -0.03 -0.13 -0.04 7.75 7.56 3gc3A1 LEU 199 H -0.21 0.69 0.38 -0.55 8.37 8.67 3gc3A1 LEU 199 HA -0.09 0.26 1.04 -0.75 4.35 4.80 3gc3A1 LEU 199 HB2 -0.02 -0.02 -0.11 -0.04 1.64 1.45 3gc3A1 LEU 199 HB3 -0.06 -0.04 0.02 -0.04 1.64 1.52 3gc3A1 LEU 199 HG -0.04 -0.02 -0.34 -0.04 1.64 1.21 3gc3A1 LEU 199 HD13 0.02 0.03 -0.14 -0.04 0.93 0.80 3gc3A1 LEU 199 HD23 -0.01 0.00 -0.27 -0.04 0.89 0.57 3gc3A1 GLU 200 H -0.07 0.85 0.39 -0.55 8.60 9.22 3gc3A1 GLU 200 HA -0.09 0.28 1.01 -0.75 4.29 4.74 3gc3A1 GLU 200 HB2 0.02 -0.06 0.04 -0.04 2.09 2.05 3gc3A1 GLU 200 HB3 -0.01 0.05 0.11 -0.04 1.99 2.10 3gc3A1 GLU 200 HG2 -0.19 0.04 -0.08 -0.04 2.34 2.07 3gc3A1 GLU 200 HG3 -0.22 -0.04 -0.18 -0.04 2.34 1.85 3gc3A1 ALA 201 H -0.03 0.56 0.41 -0.55 8.40 8.79 3gc3A1 ALA 201 HA -0.07 0.49 1.04 -0.75 4.34 5.04 3gc3A1 ALA 201 HB3 -0.01 -0.03 -0.05 -0.04 1.41 1.28 3gc3A1 SER 202 H -0.06 0.41 0.38 -0.55 8.46 8.64 3gc3A1 SER 202 HA -0.00 0.14 0.35 -0.75 4.49 4.23 3gc3A1 SER 202 HB2 -0.01 0.24 0.22 -0.04 3.95 4.36 3gc3A1 SER 202 HB3 -0.02 -0.07 0.19 -0.04 3.93 3.99 3gc3A1 LEU 203 H 0.02 0.45 0.28 -0.55 8.37 8.57 3gc3A1 LEU 203 HA 0.02 0.29 1.10 -0.75 4.35 5.00 3gc3A1 LEU 203 HB2 0.10 0.13 0.18 -0.04 1.64 2.01 3gc3A1 LEU 203 HB3 0.12 -0.08 0.18 -0.04 1.64 1.83 3gc3A1 LEU 203 HG 0.05 -0.06 -0.11 -0.04 1.64 1.48 3gc3A1 LEU 203 HD13 0.08 0.03 -0.05 -0.04 0.93 0.95 3gc3A1 LEU 203 HD23 -0.06 -0.01 -0.16 -0.04 0.89 0.62 3gc3A1 ASP 204 H 0.09 0.34 0.35 -0.55 8.40 8.63 3gc3A1 ASP 204 HA 0.01 0.07 0.55 -0.75 4.63 4.52 3gc3A1 ASP 204 HB2 0.01 -0.00 0.16 -0.04 2.71 2.83 3gc3A1 ASP 204 HB3 0.03 -0.04 0.14 -0.04 2.70 2.79 3gc3A1 LYS 205 H 0.11 0.12 -0.16 -0.55 8.42 7.93 3gc3A1 LYS 205 HA -0.14 0.22 0.87 -0.75 4.32 4.53 3gc3A1 LYS 205 HB2 -1.36 -0.00 -0.17 -0.04 1.87 0.30 3gc3A1 LYS 205 HB3 -0.46 -0.08 0.14 -0.04 1.79 1.35 3gc3A1 LYS 205 HG2 -0.18 0.08 -0.04 -0.04 1.46 1.28 3gc3A1 LYS 205 HG3 -0.17 -0.17 -0.44 -0.04 1.46 0.64 3gc3A1 LYS 205 HD2 -0.13 -0.04 0.00 -0.04 1.69 1.48 3gc3A1 LYS 205 HD3 -0.73 0.01 -0.01 -0.04 1.68 0.91 3gc3A1 LYS 205 HE2 -0.31 -0.00 0.15 -0.04 2.99 2.79 3gc3A1 LYS 205 HE3 -0.11 -0.07 0.06 -0.04 2.99 2.83 3gc3A1 GLU 206 H -0.15 0.14 0.19 -0.55 8.60 8.24 3gc3A1 GLU 206 HA 0.04 0.23 1.04 -0.75 4.29 4.85 3gc3A1 GLU 206 HB2 -0.06 -0.03 0.08 -0.04 2.09 2.04 3gc3A1 GLU 206 HB3 -0.00 0.00 0.09 -0.04 1.99 2.04 3gc3A1 GLU 206 HG2 0.00 0.02 -0.03 -0.04 2.34 2.28 3gc3A1 GLU 206 HG3 -0.05 -0.08 0.01 -0.04 2.34 2.18 3gc3A1 ILE 207 HG23 -0.43 0.04 -0.27 -0.04 0.93 0.24 3gc3A1 ILE 207 H -0.29 0.06 0.13 -0.55 8.25 7.59 3gc3A1 ILE 207 HA -0.15 0.28 0.98 -0.75 4.18 4.53 3gc3A1 ILE 207 HB -0.24 -0.13 0.08 -0.04 1.89 1.56 3gc3A1 ILE 207 HG12 -0.11 -0.22 -0.09 -0.04 1.49 1.04 3gc3A1 ILE 207 HG13 -0.11 0.30 -0.03 -0.04 1.21 1.33 3gc3A1 ILE 207 HD13 -0.07 0.03 -0.17 -0.04 0.88 0.63 3gc3A1 TYR 208 H -0.06 0.75 0.32 -0.55 8.29 8.75 3gc3A1 TYR 208 HA -0.29 0.11 0.85 -0.75 4.56 4.47 3gc3A1 TYR 208 HB2 -0.09 -0.00 -0.02 -0.04 3.06 2.91 3gc3A1 TYR 208 HB3 -0.17 0.11 -0.03 -0.04 2.98 2.85 3gc3A1 TYR 208 HD2 -0.10 0.06 -0.19 -0.04 7.15 6.88 3gc3A1 TYR 208 HE2 -0.15 0.10 -0.03 -0.04 6.85 6.73 3gc3A1 TYR 209 H 0.02 0.14 0.15 -0.55 8.29 8.05 3gc3A1 TYR 209 HA -0.13 0.38 0.88 -0.75 4.56 4.94 3gc3A1 TYR 209 HB2 -0.00 -0.02 0.05 -0.04 3.06 3.05 3gc3A1 TYR 209 HB3 -0.04 0.03 0.08 -0.04 2.98 3.00 3gc3A1 TYR 209 HD2 -0.01 0.04 -0.27 -0.04 7.15 6.87 3gc3A1 TYR 209 HE2 -0.08 0.01 -0.04 -0.04 6.85 6.69 3gc3A1 HIS 210 H -0.16 0.29 0.26 -0.55 8.41 8.25 3gc3A1 HIS 210 HA 0.01 0.03 0.41 -0.75 4.63 4.33 3gc3A1 HIS 210 HB2 -0.02 -0.01 0.15 -0.04 3.26 3.34 3gc3A1 HIS 210 HB3 0.04 -0.01 0.04 -0.04 3.20 3.23 3gc3A1 HIS 210 HD2 0.02 -0.04 -0.07 -0.04 6.97 6.83 3gc3A1 HIS 210 HE1 0.19 -0.08 -0.08 -0.04 7.75 7.74 3gc3A1 GLY 211 H 0.06 0.21 0.20 -0.55 8.43 8.35 3gc3A1 GLY 211 HA2 0.15 -0.01 0.35 -0.51 4.01 3.99 3gc3A1 GLY 211 HA3 0.15 0.08 0.48 -0.51 4.01 4.22 3gc3A1 GLU 212 H 0.04 0.53 -0.43 -0.55 8.60 8.20 3gc3A1 GLU 212 HA 0.03 0.09 0.57 -0.75 4.29 4.23 3gc3A1 GLU 212 HB2 0.14 -0.02 0.06 -0.04 2.09 2.23 3gc3A1 GLU 212 HB3 0.14 -0.07 0.13 -0.04 1.99 2.14 3gc3A1 GLU 212 HG2 0.13 0.17 -0.01 -0.04 2.34 2.59 3gc3A1 GLU 212 HG3 0.11 -0.03 0.06 -0.04 2.34 2.43 3gc3A1 PRO 213 HA -0.18 0.11 0.50 -0.51 4.44 4.36 3gc3A1 PRO 213 HB2 -0.04 -0.02 -0.18 -0.04 2.28 1.99 3gc3A1 PRO 213 HB3 -0.06 -0.00 -0.05 -0.04 2.02 1.87 3gc3A1 PRO 213 HG2 0.01 -0.02 0.04 -0.04 2.03 2.03 3gc3A1 PRO 213 HG3 0.01 0.02 0.04 -0.04 2.03 2.05 3gc3A1 PRO 213 HD2 0.04 0.04 0.22 -0.04 3.68 3.94 3gc3A1 PRO 213 HD3 0.01 0.25 0.25 -0.04 3.65 4.12 3gc3A1 ILE 214 HG23 -0.59 -0.02 -0.16 -0.04 0.93 0.11 3gc3A1 ILE 214 H -0.25 0.91 0.40 -0.55 8.25 8.76 3gc3A1 ILE 214 HA -0.34 0.10 0.88 -0.75 4.18 4.07 3gc3A1 ILE 214 HB -0.45 0.01 0.18 -0.04 1.89 1.59 3gc3A1 ILE 214 HG12 -2.29 -0.00 -0.13 -0.04 1.49 -0.97 3gc3A1 ILE 214 HG13 -0.73 0.13 -0.10 -0.04 1.21 0.47 3gc3A1 ILE 214 HD13 -1.06 -0.02 -0.10 -0.04 0.88 -0.34 3gc3A1 SER 215 H 0.02 0.12 0.20 -0.55 8.46 8.26 3gc3A1 SER 215 HA -0.02 0.28 1.07 -0.75 4.49 5.07 3gc3A1 SER 215 HB2 0.02 -0.06 0.15 -0.04 3.95 4.03 3gc3A1 SER 215 HB3 0.00 0.00 -0.02 -0.04 3.93 3.88 3gc3A1 VAL 216 HG13 0.02 0.01 -0.20 -0.04 0.97 0.76 3gc3A1 VAL 216 HG23 -0.05 0.02 -0.20 -0.04 0.95 0.68 3gc3A1 VAL 216 H 0.03 0.86 0.36 -0.55 8.24 8.95 3gc3A1 VAL 216 HA -0.00 0.32 1.08 -0.75 4.13 4.78 3gc3A1 VAL 216 HB 0.10 -0.11 0.14 -0.04 2.12 2.21 3gc3A1 ASN 217 H -0.02 0.63 0.26 -0.55 8.53 8.85 3gc3A1 ASN 217 HA -0.02 0.10 0.83 -0.75 4.76 4.92 3gc3A1 ASN 217 HB2 -0.05 -0.00 -0.00 -0.04 2.88 2.78 3gc3A1 ASN 217 HB3 -0.14 -0.03 0.11 -0.04 2.79 2.68 3gc3A1 ASN 217 HD21 0.09 -0.02 -0.11 -0.04 7.03 6.95 3gc3A1 ASN 217 HD22 -0.08 0.02 -0.09 -0.04 7.74 7.54 3gc3A1 VAL 218 HG13 0.23 -0.02 -0.19 -0.04 0.97 0.96 3gc3A1 VAL 218 HG23 0.16 0.00 -0.24 -0.04 0.95 0.83 3gc3A1 VAL 218 H 0.06 0.66 0.36 -0.55 8.24 8.78 3gc3A1 VAL 218 HA 0.03 0.25 1.04 -0.75 4.13 4.70 3gc3A1 VAL 218 HB 0.43 0.05 0.12 -0.04 2.12 2.67 3gc3A1 HIS 219 H 0.09 0.81 0.33 -0.55 8.41 9.09 3gc3A1 HIS 219 HA 0.09 0.32 1.00 -0.75 4.63 5.28 3gc3A1 HIS 219 HB2 0.03 -0.01 0.12 -0.04 3.26 3.36 3gc3A1 HIS 219 HB3 0.05 -0.02 0.01 -0.04 3.20 3.19 3gc3A1 HIS 219 HD2 0.03 -0.01 -0.10 -0.04 6.97 6.84 3gc3A1 HIS 219 HE1 -0.03 -0.04 -0.12 -0.04 7.75 7.52 3gc3A1 VAL 220 HG13 0.06 -0.00 -0.18 -0.04 0.97 0.81 3gc3A1 VAL 220 HG23 0.13 0.00 -0.17 -0.04 0.95 0.87 3gc3A1 VAL 220 H 0.27 0.61 0.32 -0.55 8.24 8.90 3gc3A1 VAL 220 HA 0.09 0.35 1.07 -0.75 4.13 4.88 3gc3A1 VAL 220 HB 0.18 -0.06 0.08 -0.04 2.12 2.28 3gc3A1 THR 221 HG23 0.06 -0.00 -0.08 -0.04 1.22 1.16 3gc3A1 THR 221 H 0.12 0.58 0.25 -0.55 8.28 8.68 3gc3A1 THR 221 HA 0.09 0.19 0.85 -0.75 4.39 4.77 3gc3A1 THR 221 HB 0.16 -0.07 0.21 -0.04 4.32 4.59 3gc3A1 ASN 222 H 0.08 0.74 0.16 -0.55 8.53 8.96 3gc3A1 ASN 222 HA 0.09 0.08 1.14 -0.75 4.76 5.32 3gc3A1 ASN 222 HB2 0.06 -0.05 -0.02 -0.04 2.88 2.83 3gc3A1 ASN 222 HB3 0.05 0.19 0.19 -0.04 2.79 3.18 3gc3A1 ASN 222 HD21 0.02 0.58 -0.08 -0.04 7.03 7.51 3gc3A1 ASN 222 HD22 0.02 0.14 -0.32 -0.04 7.74 7.54 3gc3A1 ASN 223 H 0.07 0.58 0.21 -0.55 8.53 8.84 3gc3A1 ASN 223 HA 0.04 0.13 0.94 -0.75 4.76 5.12 3gc3A1 ASN 223 HB2 0.05 0.19 0.14 -0.04 2.88 3.21 3gc3A1 ASN 223 HB3 0.03 -0.06 0.23 -0.04 2.79 2.96 3gc3A1 ASN 223 HD21 0.03 -0.03 -0.03 -0.04 7.03 6.96 3gc3A1 ASN 223 HD22 0.03 0.04 0.04 -0.04 7.74 7.81 3gc3A1 THR 224 HG23 0.23 0.06 -0.32 -0.04 1.22 1.15 3gc3A1 THR 224 H 0.08 0.01 -0.29 -0.55 8.28 7.53 3gc3A1 THR 224 HA 0.07 0.14 0.69 -0.75 4.39 4.54 3gc3A1 THR 224 HB 0.15 -0.06 0.12 -0.04 4.32 4.50 3gc3A1 ASN 225 H 0.03 0.13 0.09 -0.55 8.53 8.23 3gc3A1 ASN 225 HA 0.01 0.28 1.01 -0.75 4.76 5.30 3gc3A1 ASN 225 HB2 -0.01 0.01 0.20 -0.04 2.88 3.04 3gc3A1 ASN 225 HB3 0.01 0.02 0.07 -0.04 2.79 2.84 3gc3A1 ASN 225 HD21 0.01 0.03 -0.00 -0.04 7.03 7.03 3gc3A1 ASN 225 HD22 0.01 0.01 0.02 -0.04 7.74 7.74 3gc3A1 LYS 226 H -0.02 -0.04 -0.16 -0.55 8.42 7.65 3gc3A1 LYS 226 HA -0.09 0.19 0.81 -0.75 4.32 4.48 3gc3A1 LYS 226 HB2 -0.21 -0.08 -0.07 -0.04 1.87 1.47 3gc3A1 LYS 226 HB3 -0.23 0.14 -0.02 -0.04 1.79 1.64 3gc3A1 LYS 226 HG2 -0.19 0.09 -0.11 -0.04 1.46 1.21 3gc3A1 LYS 226 HG3 -0.23 -0.17 -0.09 -0.04 1.46 0.93 3gc3A1 LYS 226 HD2 -1.38 -0.08 -0.11 -0.04 1.69 0.08 3gc3A1 LYS 226 HD3 -0.46 0.23 -0.28 -0.04 1.68 1.13 3gc3A1 LYS 226 HE2 -0.23 -0.08 -0.04 -0.04 2.99 2.60 3gc3A1 LYS 226 HE3 -0.55 -0.13 0.03 -0.04 2.99 2.30 3gc3A1 THR 227 HG23 -0.03 0.03 -0.27 -0.04 1.22 0.91 3gc3A1 THR 227 H -0.07 0.18 0.11 -0.55 8.28 7.95 3gc3A1 THR 227 HA -0.03 0.35 0.86 -0.75 4.39 4.81 3gc3A1 THR 227 HB -0.04 -0.09 0.04 -0.04 4.32 4.19 3gc3A1 VAL 228 HG13 -0.10 0.01 -0.13 -0.04 0.97 0.71 3gc3A1 VAL 228 HG23 -0.01 0.02 -0.08 -0.04 0.95 0.84 3gc3A1 VAL 228 H -0.03 0.52 0.13 -0.55 8.24 8.30 3gc3A1 VAL 228 HA -0.05 0.07 0.75 -0.75 4.13 4.15 3gc3A1 VAL 228 HB -0.09 -0.16 0.19 -0.04 2.12 2.01 3gc3A1 LYS 229 H -0.05 0.58 0.35 -0.55 8.42 8.75 3gc3A1 LYS 229 HA -0.04 0.04 0.51 -0.75 4.32 4.08 3gc3A1 LYS 229 HB2 -0.03 -0.03 -0.01 -0.04 1.87 1.77 3gc3A1 LYS 229 HB3 -0.03 -0.05 0.02 -0.04 1.79 1.68 3gc3A1 LYS 229 HG2 -0.04 0.13 -0.29 -0.04 1.46 1.22 3gc3A1 LYS 229 HG3 -0.03 -0.03 -0.10 -0.04 1.46 1.26 3gc3A1 LYS 229 HD2 -0.02 -0.01 -0.11 -0.04 1.69 1.50 3gc3A1 LYS 229 HD3 -0.03 -0.05 -0.10 -0.04 1.68 1.47 3gc3A1 LYS 229 HE2 -0.03 0.16 -0.44 -0.04 2.99 2.64 3gc3A1 LYS 229 HE3 -0.02 -0.06 -0.20 -0.04 2.99 2.67 3gc3A1 LYS 230 H -0.05 0.27 0.24 -0.55 8.42 8.33 3gc3A1 LYS 230 HA -0.06 0.28 0.58 -0.75 4.32 4.36 3gc3A1 LYS 230 HB2 -0.04 0.04 0.10 -0.04 1.87 1.94 3gc3A1 LYS 230 HB3 -0.03 0.04 0.08 -0.04 1.79 1.84 3gc3A1 LYS 230 HG2 -0.03 -0.09 -0.26 -0.04 1.46 1.04 3gc3A1 LYS 230 HG3 -0.03 -0.06 -0.16 -0.04 1.46 1.17 3gc3A1 LYS 230 HD2 -0.02 0.02 -0.16 -0.04 1.69 1.49 3gc3A1 LYS 230 HD3 -0.02 -0.00 -0.14 -0.04 1.68 1.48 3gc3A1 LYS 230 HE2 -0.02 -0.04 -0.12 -0.04 2.99 2.77 3gc3A1 LYS 230 HE3 -0.02 0.00 -0.13 -0.04 2.99 2.80 3gc3A1 ILE 231 HG23 -0.19 0.01 -0.17 -0.04 0.93 0.54 3gc3A1 ILE 231 H -0.06 0.61 0.42 -0.55 8.25 8.66 3gc3A1 ILE 231 HA -0.10 0.29 1.04 -0.75 4.18 4.66 3gc3A1 ILE 231 HB -0.14 -0.08 0.08 -0.04 1.89 1.71 3gc3A1 ILE 231 HG12 -0.14 0.06 -0.22 -0.04 1.49 1.15 3gc3A1 ILE 231 HG13 -0.18 0.13 -0.32 -0.04 1.21 0.81 3gc3A1 ILE 231 HD13 -0.29 -0.01 -0.21 -0.04 0.88 0.33 3gc3A1 LYS 232 H -0.10 0.63 0.35 -0.55 8.42 8.75 3gc3A1 LYS 232 HA -0.10 0.28 1.08 -0.75 4.32 4.83 3gc3A1 LYS 232 HB2 -0.04 -0.04 0.11 -0.04 1.87 1.85 3gc3A1 LYS 232 HB3 -0.04 0.04 0.01 -0.04 1.79 1.76 3gc3A1 LYS 232 HG2 -0.05 0.05 -0.15 -0.04 1.46 1.27 3gc3A1 LYS 232 HG3 -0.05 -0.07 -0.33 -0.04 1.46 0.98 3gc3A1 LYS 232 HD2 -0.02 -0.01 -0.12 -0.04 1.69 1.49 3gc3A1 LYS 232 HD3 -0.02 -0.02 -0.11 -0.04 1.68 1.48 3gc3A1 LYS 232 HE2 -0.02 0.04 -0.09 -0.04 2.99 2.87 3gc3A1 LYS 232 HE3 -0.02 0.00 -0.10 -0.04 2.99 2.83 3gc3A1 ILE 233 HG23 -0.06 0.01 -0.13 -0.04 0.93 0.71 3gc3A1 ILE 233 H -0.11 0.80 0.41 -0.55 8.25 8.80 3gc3A1 ILE 233 HA -0.07 0.36 1.07 -0.75 4.18 4.79 3gc3A1 ILE 233 HB -0.12 -0.07 0.09 -0.04 1.89 1.74 3gc3A1 ILE 233 HG12 -0.21 0.07 -0.24 -0.04 1.49 1.07 3gc3A1 ILE 233 HG13 -0.42 -0.03 -0.28 -0.04 1.21 0.44 3gc3A1 ILE 233 HD13 -0.27 -0.01 -0.13 -0.04 0.88 0.44 3gc3A1 SER 234 H -0.01 0.54 0.32 -0.55 8.46 8.77 3gc3A1 SER 234 HA -0.01 0.22 0.84 -0.75 4.49 4.79 3gc3A1 SER 234 HB2 0.01 0.10 0.16 -0.04 3.95 4.18 3gc3A1 SER 234 HB3 -0.00 -0.04 0.00 -0.04 3.93 3.85 3gc3A1 VAL 235 HG13 0.37 0.02 -0.16 -0.04 0.97 1.16 3gc3A1 VAL 235 HG23 -0.07 0.00 -0.16 -0.04 0.95 0.68 3gc3A1 VAL 235 H 0.03 0.59 0.32 -0.55 8.24 8.62 3gc3A1 VAL 235 HA 0.16 0.29 0.87 -0.75 4.13 4.69 3gc3A1 VAL 235 HB 0.06 -0.10 0.03 -0.04 2.12 2.07 3gc3A1 ARG 236 H 0.18 0.71 0.27 -0.55 8.46 9.07 3gc3A1 ARG 236 HA -0.02 0.17 1.03 -0.75 4.34 4.76 3gc3A1 ARG 236 HB2 0.05 -0.03 0.01 -0.04 1.90 1.89 3gc3A1 ARG 236 HB3 -0.31 0.05 -0.06 -0.04 1.80 1.44 3gc3A1 ARG 236 HG2 -0.05 0.02 -0.14 -0.04 1.67 1.46 3gc3A1 ARG 236 HG3 0.02 -0.10 -0.45 -0.04 1.67 1.11 3gc3A1 ARG 236 HD2 0.08 -0.01 -0.16 -0.04 3.22 3.08 3gc3A1 ARG 236 HD3 0.02 0.02 -0.12 -0.04 3.22 3.10 3gc3A1 GLN 237 H -0.12 0.67 0.31 -0.55 8.47 8.79 3gc3A1 GLN 237 HA -0.46 0.26 1.08 -0.75 4.36 4.49 3gc3A1 GLN 237 HB2 -0.12 -0.04 0.09 -0.04 2.15 2.04 3gc3A1 GLN 237 HB3 -0.16 0.02 0.11 -0.04 2.02 1.95 3gc3A1 GLN 237 HG2 -0.35 0.08 -0.13 -0.04 2.40 1.96 3gc3A1 GLN 237 HG3 -1.03 0.03 0.04 -0.04 2.39 1.39 3gc3A1 GLN 237 HE21 0.07 0.39 0.19 -0.04 6.97 7.58 3gc3A1 GLN 237 HE22 0.16 0.03 0.02 -0.04 7.69 7.86 3gc3A1 TYR 238 H -0.14 0.71 0.35 -0.55 8.29 8.67 3gc3A1 TYR 238 HA -0.05 0.32 1.01 -0.75 4.56 5.09 3gc3A1 TYR 238 HB2 -0.10 -0.08 0.03 -0.04 3.06 2.87 3gc3A1 TYR 238 HB3 -0.05 0.01 0.00 -0.04 2.98 2.90 3gc3A1 TYR 238 HD2 -0.08 0.05 -0.20 -0.04 7.15 6.89 3gc3A1 TYR 238 HE2 -0.02 -0.02 -0.15 -0.04 6.85 6.61 3gc3A1 ALA 239 H 0.09 0.63 0.27 -0.55 8.40 8.85 3gc3A1 ALA 239 HA 0.04 0.36 1.07 -0.75 4.34 5.06 3gc3A1 ALA 239 HB3 0.06 -0.01 -0.03 -0.04 1.41 1.39 3gc3A1 ASP 240 H 0.07 0.62 0.30 -0.55 8.40 8.84 3gc3A1 ASP 240 HA 0.08 0.24 1.25 -0.75 4.63 5.44 3gc3A1 ASP 240 HB2 0.03 -0.09 0.18 -0.04 2.71 2.79 3gc3A1 ASP 240 HB3 0.02 0.07 -0.08 -0.04 2.70 2.67 3gc3A1 ILE 241 HG23 0.34 -0.02 -0.07 -0.04 0.93 1.14 3gc3A1 ILE 241 H 0.11 0.65 0.34 -0.55 8.25 8.80 3gc3A1 ILE 241 HA 0.17 0.16 0.84 -0.75 4.18 4.59 3gc3A1 ILE 241 HB 0.15 -0.01 0.19 -0.04 1.89 2.18 3gc3A1 ILE 241 HG12 0.37 -0.02 -0.01 -0.04 1.49 1.78 3gc3A1 ILE 241 HG13 0.39 0.03 -0.04 -0.04 1.21 1.55 3gc3A1 ILE 241 HD13 0.26 -0.04 -0.27 -0.04 0.88 0.79 3gc3A1 CYS 242 H -0.01 0.82 0.32 -0.55 8.50 9.09 3gc3A1 CYS 242 HA -0.04 0.15 0.75 -0.75 4.58 4.69 3gc3A1 CYS 242 HB2 -0.09 -0.06 -0.07 -0.04 2.97 2.71 3gc3A1 CYS 242 HB3 -0.06 0.01 0.16 -0.04 2.97 3.04 3gc3A1 LEU 243 H -0.15 0.20 0.04 -0.55 8.37 7.91 3gc3A1 LEU 243 HA -0.17 0.15 0.88 -0.75 4.35 4.46 3gc3A1 LEU 243 HB2 -0.87 -0.00 0.03 -0.04 1.64 0.75 3gc3A1 LEU 243 HB3 -0.26 -0.00 -0.08 -0.04 1.64 1.26 3gc3A1 LEU 243 HG -0.32 0.09 -0.11 -0.04 1.64 1.26 3gc3A1 LEU 243 HD13 -0.47 -0.01 -0.05 -0.04 0.93 0.35 3gc3A1 LEU 243 HD23 -0.05 -0.01 -0.01 -0.04 0.89 0.79 3gc3A1 PHE 244 H -0.22 0.17 0.01 -0.55 8.34 7.76 3gc3A1 PHE 244 HA -0.55 0.02 0.33 -0.75 4.62 3.67 3gc3A1 PHE 244 HB2 -1.80 -0.04 -0.24 -0.04 3.15 1.04 3gc3A1 PHE 244 HB3 -0.58 0.13 -0.25 -0.04 3.06 2.31 3gc3A1 PHE 244 HD2 -0.93 -0.01 -0.06 -0.04 7.28 6.23 3gc3A1 PHE 244 HE2 -0.07 -0.01 -0.07 -0.04 7.38 7.18 3gc3A1 PHE 244 HZ 0.01 0.01 -0.06 -0.04 7.32 7.24 3gc3A1 ASN 245 H -0.27 0.65 0.35 -0.55 8.53 8.72 3gc3A1 ASN 245 HA -0.42 0.12 0.84 -0.75 4.76 4.54 3gc3A1 ASN 245 HB2 -0.89 -0.02 -0.12 -0.04 2.88 1.81 3gc3A1 ASN 245 HB3 -0.58 0.01 0.13 -0.04 2.79 2.30 3gc3A1 ASN 245 HD21 0.04 -0.02 -0.02 -0.04 7.03 6.99 3gc3A1 ASN 245 HD22 0.15 -0.01 -0.01 -0.04 7.74 7.84 3gc3A1 THR 246 HG23 -0.09 -0.04 -0.22 -0.04 1.22 0.82 3gc3A1 THR 246 H -0.16 0.06 -0.16 -0.55 8.28 7.46 3gc3A1 THR 246 HA -0.03 0.20 0.14 -0.75 4.39 3.96 3gc3A1 THR 246 HB -0.05 0.09 0.09 -0.04 4.32 4.40 3gc3A1 ALA 247 H -0.01 0.48 0.37 -0.55 8.40 8.69 3gc3A1 ALA 247 HA -0.12 0.04 0.65 -0.75 4.34 4.15 3gc3A1 ALA 247 HB3 -0.16 0.04 -0.08 -0.04 1.41 1.17 3gc3A1 GLN 248 H -0.23 0.22 0.17 -0.55 8.47 8.09 3gc3A1 GLN 248 HA -0.03 0.24 1.06 -0.75 4.36 4.88 3gc3A1 GLN 248 HB2 -0.06 -0.03 0.13 -0.04 2.15 2.14 3gc3A1 GLN 248 HB3 0.01 0.04 -0.00 -0.04 2.02 2.03 3gc3A1 GLN 248 HG2 -0.02 -0.00 -0.06 -0.04 2.40 2.28 3gc3A1 GLN 248 HG3 -0.02 0.09 -0.13 -0.04 2.39 2.28 3gc3A1 GLN 248 HE21 -0.06 0.02 -0.04 -0.04 6.97 6.85 3gc3A1 GLN 248 HE22 -0.05 0.02 -0.00 -0.04 7.69 7.61 3gc3A1 TYR 249 H 0.15 0.71 0.35 -0.55 8.29 8.96 3gc3A1 TYR 249 HA -0.01 0.12 1.04 -0.75 4.56 4.95 3gc3A1 TYR 249 HB2 -0.01 0.00 0.18 -0.04 3.06 3.19 3gc3A1 TYR 249 HB3 -0.03 0.14 0.13 -0.04 2.98 3.18 3gc3A1 TYR 249 HD2 0.01 0.06 -0.00 -0.04 7.15 7.19 3gc3A1 TYR 249 HE2 0.04 -0.00 -0.07 -0.04 6.85 6.78 3gc3A1 LYS 250 H 0.04 0.17 0.24 -0.55 8.42 8.32 3gc3A1 LYS 250 HA -0.27 0.38 0.79 -0.75 4.32 4.48 3gc3A1 LYS 250 HB2 -0.10 -0.03 -0.01 -0.04 1.87 1.69 3gc3A1 LYS 250 HB3 -0.41 -0.02 0.10 -0.04 1.79 1.42 3gc3A1 LYS 250 HG2 0.07 -0.00 -0.06 -0.04 1.46 1.42 3gc3A1 LYS 250 HG3 0.03 -0.05 -0.45 -0.04 1.46 0.95 3gc3A1 LYS 250 HD2 0.00 -0.00 -0.02 -0.04 1.69 1.63 3gc3A1 LYS 250 HD3 0.06 -0.02 -0.06 -0.04 1.68 1.62 3gc3A1 LYS 250 HE2 0.02 0.06 -0.10 -0.04 2.99 2.93 3gc3A1 LYS 250 HE3 0.03 -0.03 -0.05 -0.04 2.99 2.91 3gc3A1 CYS 251 H -0.25 0.26 0.15 -0.55 8.50 8.11 3gc3A1 CYS 251 HA -0.05 0.07 0.64 -0.75 4.58 4.49 3gc3A1 CYS 251 HB2 -0.03 0.21 -0.29 -0.04 2.97 2.82 3gc3A1 CYS 251 HB3 -0.07 -0.08 -0.17 -0.04 2.97 2.61 3gc3A1 PRO 252 HA -0.01 0.16 0.87 -0.51 4.44 4.96 3gc3A1 PRO 252 HB2 0.01 0.02 0.01 -0.04 2.28 2.27 3gc3A1 PRO 252 HB3 0.00 0.02 0.10 -0.04 2.02 2.10 3gc3A1 PRO 252 HG2 -0.01 0.03 0.07 -0.04 2.03 2.09 3gc3A1 PRO 252 HG3 -0.02 -0.00 0.05 -0.04 2.03 2.02 3gc3A1 PRO 252 HD2 -0.01 0.16 0.23 -0.04 3.68 4.01 3gc3A1 PRO 252 HD3 -0.04 0.11 0.18 -0.04 3.65 3.87 3gc3A1 VAL 253 HG13 0.11 0.03 -0.15 -0.04 0.97 0.92 3gc3A1 VAL 253 HG23 0.20 -0.01 -0.16 -0.04 0.95 0.94 3gc3A1 VAL 253 H 0.06 0.63 0.39 -0.55 8.24 8.77 3gc3A1 VAL 253 HA 0.06 0.24 0.85 -0.75 4.13 4.53 3gc3A1 VAL 253 HB 0.11 -0.08 0.14 -0.04 2.12 2.25 3gc3A1 ALA 254 H 0.04 0.29 0.26 -0.55 8.40 8.45 3gc3A1 ALA 254 HA 0.03 0.11 0.22 -0.75 4.34 3.95 3gc3A1 ALA 254 HB3 -0.02 0.04 -0.04 -0.04 1.41 1.35 3gc3A1 MET 255 H 0.01 0.34 0.11 -0.55 8.47 8.38 3gc3A1 MET 255 HA -0.01 0.24 0.92 -0.75 4.52 4.91 3gc3A1 MET 255 HB2 0.00 0.03 -0.11 -0.04 2.15 2.03 3gc3A1 MET 255 HB3 0.01 -0.01 0.04 -0.04 2.03 2.03 3gc3A1 MET 255 HG2 -0.00 -0.02 -0.07 -0.04 2.63 2.50 3gc3A1 MET 255 HG3 -0.01 -0.04 -0.21 -0.04 2.56 2.26 3gc3A1 MET 255 HE3 -0.01 -0.01 -0.09 -0.04 2.10 1.95 3gc3A1 GLU 256 H -0.03 0.81 0.36 -0.55 8.60 9.19 3gc3A1 GLU 256 HA -0.00 0.15 0.70 -0.75 4.29 4.38 3gc3A1 GLU 256 HB2 -0.04 -0.05 0.09 -0.04 2.09 2.05 3gc3A1 GLU 256 HB3 0.01 0.03 0.07 -0.04 1.99 2.06 3gc3A1 GLU 256 HG2 -0.01 -0.11 -0.29 -0.04 2.34 1.89 3gc3A1 GLU 256 HG3 0.02 0.08 0.01 -0.04 2.34 2.40 3gc3A1 GLU 257 H -0.01 0.21 0.16 -0.55 8.60 8.41 3gc3A1 GLU 257 HA -0.07 0.34 0.93 -0.75 4.29 4.73 3gc3A1 GLU 257 HB2 -0.03 0.02 -0.05 -0.04 2.09 2.00 3gc3A1 GLU 257 HB3 -0.03 -0.02 0.08 -0.04 1.99 1.98 3gc3A1 GLU 257 HG2 -0.01 -0.04 0.03 -0.04 2.34 2.28 3gc3A1 GLU 257 HG3 -0.00 -0.01 -0.05 -0.04 2.34 2.23 3gc3A1 ALA 258 H -0.06 0.86 0.38 -0.55 8.40 9.04 3gc3A1 ALA 258 HA 0.05 0.20 1.03 -0.75 4.34 4.87 3gc3A1 ALA 258 HB3 0.18 0.01 -0.01 -0.04 1.41 1.55 3gc3A1 ASP 259 H 0.04 0.19 0.06 -0.55 8.40 8.15 3gc3A1 ASP 259 HA -0.00 0.20 0.89 -0.75 4.63 4.96 3gc3A1 ASP 259 HB2 0.02 -0.03 0.23 -0.04 2.71 2.89 3gc3A1 ASP 259 HB3 0.01 0.06 0.18 -0.04 2.70 2.91 3gc3A1 ASP 260 H 0.00 0.36 -0.38 -0.55 8.40 7.84 3gc3A1 ASP 260 HA 0.06 0.15 0.87 -0.75 4.63 4.96 3gc3A1 ASP 260 HB2 -0.00 -0.04 -0.04 -0.04 2.71 2.59 3gc3A1 ASP 260 HB3 0.00 0.07 -0.11 -0.04 2.70 2.61 3gc3A1 THR 261 HG23 -0.02 0.03 -0.13 -0.04 1.22 1.06 3gc3A1 THR 261 H -0.02 0.14 0.08 -0.55 8.28 7.93 3gc3A1 THR 261 HA -0.11 0.31 0.53 -0.75 4.39 4.37 3gc3A1 THR 261 HB -0.03 0.07 -0.01 -0.04 4.32 4.30 3gc3A1 VAL 262 HG13 0.07 0.04 -0.22 -0.04 0.97 0.82 3gc3A1 VAL 262 HG23 -0.33 0.01 -0.27 -0.04 0.95 0.32 3gc3A1 VAL 262 H -0.09 0.43 0.14 -0.55 8.24 8.17 3gc3A1 VAL 262 HA -0.00 0.15 0.72 -0.75 4.13 4.24 3gc3A1 VAL 262 HB -0.05 -0.12 0.09 -0.04 2.12 2.00 3gc3A1 ALA 263 H 0.03 0.12 -0.04 -0.55 8.40 7.96 3gc3A1 ALA 263 HA 0.00 0.04 0.47 -0.75 4.34 4.10 3gc3A1 ALA 263 HB3 0.02 0.01 0.01 -0.04 1.41 1.41 3gc3A1 PRO 264 HA 0.02 0.08 0.49 -0.51 4.44 4.52 3gc3A1 PRO 264 HB2 0.01 -0.05 0.00 -0.04 2.28 2.20 3gc3A1 PRO 264 HB3 0.01 0.16 0.18 -0.04 2.02 2.34 3gc3A1 PRO 264 HG2 -0.00 -0.02 -0.05 -0.04 2.03 1.91 3gc3A1 PRO 264 HG3 -0.01 0.02 -0.47 -0.04 2.03 1.54 3gc3A1 PRO 264 HD2 0.00 0.02 0.11 -0.04 3.68 3.76 3gc3A1 PRO 264 HD3 -0.01 0.07 -0.07 -0.04 3.65 3.60 3gc3A1 SER 265 H 0.03 0.21 0.26 -0.55 8.46 8.42 3gc3A1 SER 265 HA 0.03 0.01 0.46 -0.75 4.49 4.23 3gc3A1 SER 265 HB2 0.02 0.09 -0.01 -0.04 3.95 4.02 3gc3A1 SER 265 HB3 0.02 -0.08 0.18 -0.04 3.93 4.01 3gc3A1 SER 266 H 0.05 0.35 0.11 -0.55 8.46 8.42 3gc3A1 SER 266 HA 0.04 0.05 0.66 -0.75 4.49 4.49 3gc3A1 SER 266 HB2 0.05 -0.05 0.14 -0.04 3.95 4.05 3gc3A1 SER 266 HB3 0.04 0.14 -0.34 -0.04 3.93 3.72 3gc3A1 THR 267 HG23 0.04 -0.02 -0.05 -0.04 1.22 1.14 3gc3A1 THR 267 H 0.06 0.16 0.22 -0.55 8.28 8.16 3gc3A1 THR 267 HA 0.10 0.32 1.12 -0.75 4.39 5.18 3gc3A1 THR 267 HB 0.04 0.04 0.13 -0.04 4.32 4.49 3gc3A1 PHE 268 H 0.18 0.54 0.31 -0.55 8.34 8.83 3gc3A1 PHE 268 HA 0.02 0.09 0.70 -0.75 4.62 4.67 3gc3A1 PHE 268 HB2 0.04 0.11 -0.17 -0.04 3.15 3.09 3gc3A1 PHE 268 HB3 0.05 -0.08 0.00 -0.04 3.06 3.00 3gc3A1 PHE 268 HD2 0.07 -0.01 -0.13 -0.04 7.28 7.16 3gc3A1 PHE 268 HE2 0.15 -0.02 -0.14 -0.04 7.38 7.33 3gc3A1 PHE 268 HZ 0.13 -0.03 -0.15 -0.04 7.32 7.23 3gc3A1 CYS 269 H -0.37 0.25 0.18 -0.55 8.50 8.01 3gc3A1 CYS 269 HA 0.06 0.43 0.85 -0.75 4.58 5.17 3gc3A1 CYS 269 HB2 -0.19 -0.04 0.10 -0.04 2.97 2.80 3gc3A1 CYS 269 HB3 -0.04 0.01 0.02 -0.04 2.97 2.91 3gc3A1 LYS 270 H -0.02 0.67 0.27 -0.55 8.42 8.78 3gc3A1 LYS 270 HA -0.26 0.05 0.59 -0.75 4.32 3.94 3gc3A1 LYS 270 HB2 -0.71 0.05 -0.20 -0.04 1.87 0.97 3gc3A1 LYS 270 HB3 -0.22 -0.03 -0.09 -0.04 1.79 1.41 3gc3A1 LYS 270 HG2 -0.87 0.09 -0.27 -0.04 1.46 0.37 3gc3A1 LYS 270 HG3 -0.35 -0.03 0.11 -0.04 1.46 1.15 3gc3A1 LYS 270 HD2 -0.15 -0.00 -0.02 -0.04 1.69 1.47 3gc3A1 LYS 270 HD3 -0.16 -0.05 -0.11 -0.04 1.68 1.32 3gc3A1 LYS 270 HE2 -0.44 0.07 -0.03 -0.04 2.99 2.55 3gc3A1 LYS 270 HE3 -0.16 -0.00 0.01 -0.04 2.99 2.80 3gc3A1 VAL 271 HG13 -0.01 0.00 -0.22 -0.04 0.97 0.70 3gc3A1 VAL 271 HG23 -0.03 -0.01 -0.06 -0.04 0.95 0.81 3gc3A1 VAL 271 H -0.18 0.14 0.15 -0.55 8.24 7.80 3gc3A1 VAL 271 HA -0.03 0.32 1.00 -0.75 4.13 4.67 3gc3A1 VAL 271 HB -0.07 -0.03 0.08 -0.04 2.12 2.06 3gc3A1 TYR 272 H 0.17 0.69 0.33 -0.55 8.29 8.94 3gc3A1 TYR 272 HA 0.01 0.17 0.92 -0.75 4.56 4.91 3gc3A1 TYR 272 HB2 0.00 -0.00 0.02 -0.04 3.06 3.03 3gc3A1 TYR 272 HB3 0.01 0.02 -0.01 -0.04 2.98 2.95 3gc3A1 TYR 272 HD2 0.05 0.07 -0.08 -0.04 7.15 7.14 3gc3A1 TYR 272 HE2 0.18 -0.02 -0.12 -0.04 6.85 6.85 3gc3A1 THR 273 HG23 -0.03 0.01 -0.24 -0.04 1.22 0.92 3gc3A1 THR 273 H 0.10 0.20 0.14 -0.55 8.28 8.18 3gc3A1 THR 273 HA -0.01 0.37 1.10 -0.75 4.39 5.11 3gc3A1 THR 273 HB 0.01 -0.03 0.07 -0.04 4.32 4.33 3gc3A1 LEU 274 H -0.09 0.71 0.31 -0.55 8.37 8.75 3gc3A1 LEU 274 HA -0.05 0.13 0.78 -0.75 4.35 4.46 3gc3A1 LEU 274 HB2 -0.12 0.02 -0.10 -0.04 1.64 1.39 3gc3A1 LEU 274 HB3 -0.10 0.00 -0.22 -0.04 1.64 1.28 3gc3A1 LEU 274 HG -0.04 -0.03 -0.31 -0.04 1.64 1.23 3gc3A1 LEU 274 HD13 -0.04 0.00 -0.39 -0.04 0.93 0.46 3gc3A1 LEU 274 HD23 -0.01 0.05 -0.03 -0.04 0.89 0.86 3gc3A1 THR 275 HG23 -0.74 0.12 -0.40 -0.04 1.22 0.15 3gc3A1 THR 275 H -0.13 0.19 0.08 -0.55 8.28 7.88 3gc3A1 THR 275 HA -0.31 0.27 0.82 -0.75 4.39 4.42 3gc3A1 THR 275 HB -0.61 -0.05 0.02 -0.04 4.32 3.64 3gc3A1 PRO 276 HA -0.06 0.25 0.48 -0.51 4.44 4.61 3gc3A1 PRO 276 HB2 -0.05 -0.00 -0.05 -0.04 2.28 2.14 3gc3A1 PRO 276 HB3 0.02 -0.01 -0.05 -0.04 2.02 1.94 3gc3A1 PRO 276 HG2 -0.15 0.05 -0.03 -0.04 2.03 1.87 3gc3A1 PRO 276 HG3 -0.13 -0.01 -0.06 -0.04 2.03 1.80 3gc3A1 PRO 276 HD2 -0.30 0.21 0.12 -0.04 3.68 3.67 3gc3A1 PRO 276 HD3 -0.32 0.13 0.07 -0.04 3.65 3.49 3gc3A1 PHE 277 H 0.11 0.56 0.32 -0.55 8.34 8.78 3gc3A1 PHE 277 HA 0.02 0.09 0.94 -0.75 4.62 4.91 3gc3A1 PHE 277 HB2 0.01 0.08 0.05 -0.04 3.15 3.25 3gc3A1 PHE 277 HB3 0.01 -0.11 -0.09 -0.04 3.06 2.83 3gc3A1 PHE 277 HD2 0.01 -0.04 0.06 -0.04 7.28 7.27 3gc3A1 PHE 277 HE2 0.01 -0.03 0.01 -0.04 7.38 7.33 3gc3A1 PHE 277 HZ 0.01 0.03 -0.00 -0.04 7.32 7.31 3gc3A1 LEU 278 H 0.20 0.12 0.14 -0.55 8.37 8.28 3gc3A1 LEU 278 HA 0.08 0.17 0.71 -0.75 4.35 4.55 3gc3A1 LEU 278 HB2 0.05 -0.14 0.04 -0.04 1.64 1.55 3gc3A1 LEU 278 HB3 0.04 0.02 0.14 -0.04 1.64 1.80 3gc3A1 LEU 278 HG 0.01 0.04 -0.18 -0.04 1.64 1.47 3gc3A1 LEU 278 HD13 0.02 0.00 -0.02 -0.04 0.93 0.90 3gc3A1 LEU 278 HD23 0.01 0.04 -0.28 -0.04 0.89 0.61 3gc3A1 ALA 279 H -0.02 0.04 -0.06 -0.55 8.40 7.82 3gc3A1 ALA 279 HA -0.03 0.06 -0.09 -0.75 4.34 3.53 3gc3A1 ALA 279 HB3 -0.11 0.00 0.06 -0.04 1.41 1.31 3gc3A1 LYS 284 HA -0.01 -0.08 0.27 -0.75 4.32 3.74 3gc3A1 ARG 285 H -0.02 0.09 0.14 -0.55 8.46 8.11 3gc3A1 ARG 285 HA -0.06 0.01 0.66 -0.75 4.34 4.19 3gc3A1 GLY 286 H -0.19 -0.06 0.19 -0.55 8.43 7.82 3gc3A1 GLY 286 HA2 -0.72 0.06 0.27 -0.51 4.01 3.11 3gc3A1 GLY 286 HA3 -0.24 0.12 0.29 -0.51 4.01 3.66 3gc3A1 LEU 287 H -0.11 0.05 -0.27 -0.55 8.37 7.49 3gc3A1 LEU 287 HA -0.07 0.16 0.71 -0.75 4.35 4.40 3gc3A1 LEU 287 HB2 -0.03 0.07 -0.20 -0.04 1.64 1.44 3gc3A1 LEU 287 HB3 -0.04 0.03 0.03 -0.04 1.64 1.62 3gc3A1 LEU 287 HG 0.02 0.04 -0.20 -0.04 1.64 1.45 3gc3A1 LEU 287 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.84 3gc3A1 LEU 287 HD23 0.02 0.00 -0.02 -0.04 0.89 0.85 3gc3A1 ALA 288 H -0.03 0.15 0.10 -0.55 8.40 8.07 3gc3A1 ALA 288 HA -0.01 0.21 0.84 -0.75 4.34 4.63 3gc3A1 ALA 288 HB3 0.02 0.00 0.02 -0.04 1.41 1.41 3gc3A1 LEU 289 H 0.03 0.64 0.45 -0.55 8.37 8.95 3gc3A1 LEU 289 HA 0.06 0.09 0.88 -0.75 4.35 4.62 3gc3A1 LEU 289 HB2 0.02 0.06 0.09 -0.04 1.64 1.76 3gc3A1 LEU 289 HB3 0.02 0.02 0.01 -0.04 1.64 1.65 3gc3A1 LEU 289 HG -0.00 0.09 -0.17 -0.04 1.64 1.51 3gc3A1 LEU 289 HD13 -0.01 -0.01 -0.13 -0.04 0.93 0.74 3gc3A1 LEU 289 HD23 0.03 0.03 -0.24 -0.04 0.89 0.67 3gc3A1 ASP 290 H 0.05 0.55 0.07 -0.55 8.40 8.53 3gc3A1 ASP 290 HA 0.09 0.29 0.90 -0.75 4.63 5.16 3gc3A1 ASP 290 HB2 0.10 0.04 0.24 -0.04 2.71 3.05 3gc3A1 ASP 290 HB3 0.14 -0.05 0.07 -0.04 2.70 2.82 3gc3A1 GLY 291 H 0.05 0.36 -0.29 -0.55 8.43 8.01 3gc3A1 GLY 291 HA2 0.09 0.09 0.51 -0.51 4.01 4.20 3gc3A1 GLY 291 HA3 0.08 0.03 -0.23 -0.51 4.01 3.38 3gc3A1 LYS 292 H 0.14 0.14 0.05 -0.55 8.42 8.20 3gc3A1 LYS 292 HA -0.05 0.15 0.63 -0.75 4.32 4.30 3gc3A1 LYS 292 HB2 -0.54 -0.03 -0.00 -0.04 1.87 1.25 3gc3A1 LYS 292 HB3 -0.19 -0.02 0.04 -0.04 1.79 1.58 3gc3A1 LYS 292 HG2 0.13 0.01 0.01 -0.04 1.46 1.57 3gc3A1 LYS 292 HG3 -0.02 0.04 -0.03 -0.04 1.46 1.41 3gc3A1 LYS 292 HD2 -0.03 0.02 -0.07 -0.04 1.69 1.58 3gc3A1 LYS 292 HD3 0.01 -0.02 -0.28 -0.04 1.68 1.35 3gc3A1 LYS 292 HE2 0.07 0.01 -0.12 -0.04 2.99 2.92 3gc3A1 LYS 292 HE3 0.05 0.00 -0.08 -0.04 2.99 2.92 3gc3A1 LEU 293 H -0.08 0.17 0.11 -0.55 8.37 8.02 3gc3A1 LEU 293 HA -0.04 0.14 0.11 -0.75 4.35 3.81 3gc3A1 LEU 293 HB2 -0.04 0.03 0.08 -0.04 1.64 1.66 3gc3A1 LEU 293 HB3 -0.06 -0.05 0.05 -0.04 1.64 1.53 3gc3A1 LEU 293 HG -0.04 -0.01 -0.14 -0.04 1.64 1.42 3gc3A1 LEU 293 HD13 -0.02 0.02 -0.02 -0.04 0.93 0.87 3gc3A1 LEU 293 HD23 -0.03 0.01 -0.04 -0.04 0.89 0.78 3gc3A1 LYS 294 H -0.19 -0.06 -0.43 -0.55 8.42 7.19 3gc3A1 LYS 294 HA -0.08 0.14 0.41 -0.75 4.32 4.03 3gc3A1 LYS 294 HB2 -0.10 0.02 0.07 -0.04 1.87 1.82 3gc3A1 LYS 294 HB3 -0.13 -0.03 0.01 -0.04 1.79 1.60 3gc3A1 LYS 294 HG2 -0.68 -0.08 -0.20 -0.04 1.46 0.46 3gc3A1 LYS 294 HG3 -0.40 0.03 -0.28 -0.04 1.46 0.77 3gc3A1 LYS 294 HD2 -0.20 0.01 -0.07 -0.04 1.69 1.39 3gc3A1 LYS 294 HD3 -0.10 0.02 -0.05 -0.04 1.68 1.51 3gc3A1 LYS 294 HE2 -0.11 0.02 -0.03 -0.04 2.99 2.83 3gc3A1 LYS 294 HE3 -0.17 -0.11 -0.04 -0.04 2.99 2.64 3gc3A1 HIS 295 H -0.13 0.51 -0.37 -0.55 8.41 7.88 3gc3A1 HIS 295 HA -0.01 0.20 0.94 -0.75 4.63 5.00 3gc3A1 HIS 295 HB2 -0.01 0.03 -0.03 -0.04 3.26 3.21 3gc3A1 HIS 295 HB3 -0.02 -0.09 -0.01 -0.04 3.20 3.03 3gc3A1 HIS 295 HD2 -0.01 0.10 -0.11 -0.04 6.97 6.92 3gc3A1 HIS 295 HE1 0.02 0.01 -0.03 -0.04 7.75 7.70 3gc3A1 GLU 296 H 0.08 0.16 0.15 -0.55 8.60 8.44 3gc3A1 GLU 296 HA 0.02 0.13 0.19 -0.75 4.29 3.87 3gc3A1 GLU 296 HB2 0.01 -0.03 0.11 -0.04 2.09 2.14 3gc3A1 GLU 296 HB3 0.01 0.02 0.01 -0.04 1.99 1.99 3gc3A1 GLU 296 HG2 0.01 0.01 0.03 -0.04 2.34 2.35 3gc3A1 GLU 296 HG3 0.02 0.02 0.04 -0.04 2.34 2.38 3gc3A1 ASP 297 H 0.03 0.00 -0.25 -0.55 8.40 7.63 3gc3A1 ASP 297 HA 0.01 0.18 0.42 -0.75 4.63 4.49 3gc3A1 ASP 297 HB2 -0.00 0.02 0.10 -0.04 2.71 2.78 3gc3A1 ASP 297 HB3 -0.03 -0.02 0.01 -0.04 2.70 2.62 3gc3A1 THR 298 HG23 0.02 -0.04 -0.40 -0.04 1.22 0.75 3gc3A1 THR 298 H 0.05 0.36 -0.53 -0.55 8.28 7.61 3gc3A1 THR 298 HA 0.03 0.03 0.50 -0.75 4.39 4.20 3gc3A1 THR 298 HB 0.03 0.22 -0.07 -0.04 4.32 4.46 3gc3A1 ASN 299 H -0.02 0.10 0.14 -0.55 8.53 8.21 3gc3A1 ASN 299 HA -0.10 0.08 0.73 -0.75 4.76 4.72 3gc3A1 ASN 299 HB2 -0.29 -0.02 0.05 -0.04 2.88 2.57 3gc3A1 ASN 299 HB3 -0.95 0.11 0.07 -0.04 2.79 1.99 3gc3A1 ASN 299 HD21 -0.02 -0.01 -0.10 -0.04 7.03 6.85 3gc3A1 ASN 299 HD22 -0.00 0.01 -0.07 -0.04 7.74 7.63 3gc3A1 LEU 300 H -0.03 0.05 0.08 -0.55 8.37 7.93 3gc3A1 LEU 300 HA 0.09 0.14 0.74 -0.75 4.35 4.57 3gc3A1 LEU 300 HB2 0.16 -0.02 -0.09 -0.04 1.64 1.65 3gc3A1 LEU 300 HB3 0.28 0.11 0.01 -0.04 1.64 2.00 3gc3A1 LEU 300 HG 0.09 -0.15 -0.04 -0.04 1.64 1.50 3gc3A1 LEU 300 HD13 0.13 0.00 -0.23 -0.04 0.93 0.79 3gc3A1 LEU 300 HD23 0.12 0.04 -0.07 -0.04 0.89 0.94 3gc3A1 ALA 301 H 0.17 0.53 0.10 -0.55 8.40 8.66 3gc3A1 ALA 301 HA 0.18 0.01 0.24 -0.75 4.34 4.01 3gc3A1 ALA 301 HB3 0.13 0.01 -0.23 -0.04 1.41 1.27 3gc3A1 SER 302 H 0.23 0.07 0.12 -0.55 8.46 8.33 3gc3A1 SER 302 HA 0.19 0.14 0.53 -0.75 4.49 4.60 3gc3A1 SER 302 HB2 0.10 0.16 0.30 -0.04 3.95 4.46 3gc3A1 SER 302 HB3 0.21 -0.09 0.14 -0.04 3.93 4.14 3gc3A1 SER 303 H 0.14 0.42 0.28 -0.55 8.46 8.76 3gc3A1 SER 303 HA 0.15 0.10 0.49 -0.75 4.49 4.46 3gc3A1 SER 303 HB2 0.04 -0.00 0.08 -0.04 3.95 4.03 3gc3A1 SER 303 HB3 0.05 0.10 0.02 -0.04 3.93 4.06 3gc3A1 THR 304 HG23 0.04 0.00 -0.13 -0.04 1.22 1.09 3gc3A1 THR 304 H 0.05 0.64 0.37 -0.55 8.28 8.79 3gc3A1 THR 304 HA 0.06 0.07 0.49 -0.75 4.39 4.25 3gc3A1 THR 304 HB 0.03 -0.02 0.23 -0.04 4.32 4.52 3gc3A1 LEU 305 H 0.04 0.17 0.17 -0.55 8.37 8.21 3gc3A1 LEU 305 HA 0.02 0.08 0.70 -0.75 4.35 4.39 3gc3A1 LEU 305 HB2 0.03 -0.01 0.10 -0.04 1.64 1.72 3gc3A1 LEU 305 HB3 0.01 -0.02 -0.02 -0.04 1.64 1.57 3gc3A1 LEU 305 HG 0.03 0.05 0.04 -0.04 1.64 1.71 3gc3A1 LEU 305 HD13 0.01 0.01 -0.03 -0.04 0.93 0.88 3gc3A1 LEU 305 HD23 -0.00 -0.00 -0.12 -0.04 0.89 0.72 3gc3A1 LEU 306 H 0.01 0.19 0.05 -0.55 8.37 8.07 3gc3A1 LEU 306 HA 0.02 0.24 1.11 -0.75 4.35 4.97 3gc3A1 LEU 306 HB2 0.00 -0.03 0.11 -0.04 1.64 1.69 3gc3A1 LEU 306 HB3 0.01 0.06 -0.02 -0.04 1.64 1.65 3gc3A1 LEU 306 HG 0.01 0.04 -0.19 -0.04 1.64 1.46 3gc3A1 LEU 306 HD13 -0.00 -0.02 -0.03 -0.04 0.93 0.84 3gc3A1 LEU 306 HD23 0.01 0.01 -0.11 -0.04 0.89 0.77 3gc3A1 ARG 307 H 0.02 0.20 -0.03 -0.55 8.46 8.09 3gc3A1 ARG 307 HA 0.01 0.04 0.46 -0.75 4.34 4.10 3gc3A1 ARG 307 HB2 0.02 -0.05 -0.09 -0.04 1.90 1.73 3gc3A1 ARG 307 HB3 0.02 0.02 0.01 -0.04 1.80 1.81 3gc3A1 ARG 307 HG2 0.02 0.02 -0.01 -0.04 1.67 1.66 3gc3A1 ARG 307 HG3 0.02 0.06 0.03 -0.04 1.67 1.74 3gc3A1 ARG 307 HD2 0.03 0.04 -0.03 -0.04 3.22 3.21 3gc3A1 ARG 307 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.16 3gc3A1 GLU 308 H 0.01 0.08 0.09 -0.55 8.60 8.24 3gc3A1 GLU 308 HA 0.00 0.10 0.47 -0.75 4.29 4.11 3gc3A1 GLU 308 HB2 0.01 -0.01 0.09 -0.04 2.09 2.14 3gc3A1 GLU 308 HB3 0.00 -0.01 0.02 -0.04 1.99 1.96 3gc3A1 GLU 308 HG2 0.00 0.06 0.02 -0.04 2.34 2.38 3gc3A1 GLU 308 HG3 0.01 -0.02 0.08 -0.04 2.34 2.37 3gc3A1 GLY 309 H 0.00 0.08 0.12 -0.55 8.43 8.08 3gc3A1 GLY 309 HA2 0.00 0.02 0.27 -0.51 4.01 3.79 3gc3A1 GLY 309 HA3 0.00 -0.01 0.48 -0.51 4.01 3.97 3gc3A1 ALA 310 H 0.01 0.28 -0.24 -0.55 8.40 7.90 3gc3A1 ALA 310 HA 0.01 0.17 0.83 -0.75 4.34 4.60 3gc3A1 ALA 310 HB3 0.01 0.00 -0.07 -0.04 1.41 1.31 3gc3A1 ASN 311 H 0.01 0.17 0.06 -0.55 8.53 8.22 3gc3A1 ASN 311 HA 0.00 0.07 0.53 -0.75 4.76 4.60 3gc3A1 ASN 311 HB2 0.01 0.09 0.14 -0.04 2.88 3.07 3gc3A1 ASN 311 HB3 0.01 -0.01 0.20 -0.04 2.79 2.94 3gc3A1 ASN 311 HD21 0.00 0.03 -0.01 -0.04 7.03 7.01 3gc3A1 ASN 311 HD22 0.01 0.05 0.02 -0.04 7.74 7.78 3gc3A1 ARG 312 H -0.01 0.26 0.16 -0.55 8.46 8.32 3gc3A1 ARG 312 HA -0.00 0.12 0.42 -0.75 4.34 4.12 3gc3A1 ARG 312 HB2 -0.00 0.09 0.03 -0.04 1.90 1.97 3gc3A1 ARG 312 HB3 -0.01 -0.01 0.14 -0.04 1.80 1.88 3gc3A1 ARG 312 HG2 -0.01 -0.01 0.11 -0.04 1.67 1.72 3gc3A1 ARG 312 HG3 -0.01 0.00 0.02 -0.04 1.67 1.64 3gc3A1 ARG 312 HD2 -0.01 0.03 -0.00 -0.04 3.22 3.20 3gc3A1 ARG 312 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.16 3gc3A1 GLU 313 H -0.02 0.11 -0.60 -0.55 8.60 7.54 3gc3A1 GLU 313 HA -0.06 0.25 0.63 -0.75 4.29 4.35 3gc3A1 GLU 313 HB2 -0.02 -0.08 -0.05 -0.04 2.09 1.89 3gc3A1 GLU 313 HB3 -0.05 0.04 -0.03 -0.04 1.99 1.91 3gc3A1 GLU 313 HG2 -0.05 0.18 0.05 -0.04 2.34 2.48 3gc3A1 GLU 313 HG3 -0.03 -0.00 -0.39 -0.04 2.34 1.88 3gc3A1 ILE 314 HG23 0.01 -0.01 0.02 -0.04 0.93 0.91 3gc3A1 ILE 314 H -0.01 0.11 -0.01 -0.55 8.25 7.79 3gc3A1 ILE 314 HA -0.03 0.13 0.52 -0.75 4.18 4.05 3gc3A1 ILE 314 HB 0.02 0.08 0.19 -0.04 1.89 2.13 3gc3A1 ILE 314 HG12 0.01 0.03 0.10 -0.04 1.49 1.59 3gc3A1 ILE 314 HG13 0.02 0.11 -0.06 -0.04 1.21 1.25 3gc3A1 ILE 314 HD13 0.02 -0.01 0.05 -0.04 0.88 0.90 3gc3A1 LEU 315 H -0.02 -0.12 -0.58 -0.55 8.37 7.11 3gc3A1 LEU 315 HA 0.04 0.26 0.85 -0.75 4.35 4.74 3gc3A1 LEU 315 HB2 0.01 -0.09 -0.19 -0.04 1.64 1.32 3gc3A1 LEU 315 HB3 0.04 0.08 -0.05 -0.04 1.64 1.67 3gc3A1 LEU 315 HG 0.02 0.02 -0.08 -0.04 1.64 1.56 3gc3A1 LEU 315 HD13 0.02 -0.04 -0.12 -0.04 0.93 0.74 3gc3A1 LEU 315 HD23 0.04 0.03 -0.03 -0.04 0.89 0.89 3gc3A1 GLY 316 H -0.10 0.19 -0.37 -0.55 8.43 7.61 3gc3A1 GLY 316 HA2 -0.48 -0.01 0.27 -0.51 4.01 3.28 3gc3A1 GLY 316 HA3 -0.13 0.11 0.17 -0.51 4.01 3.65 3gc3A1 ILE 317 HG23 0.11 -0.01 -0.29 -0.04 0.93 0.69 3gc3A1 ILE 317 H 0.12 0.64 0.14 -0.55 8.25 8.60 3gc3A1 ILE 317 HA 0.11 0.34 0.91 -0.75 4.18 4.79 3gc3A1 ILE 317 HB 0.15 0.03 0.03 -0.04 1.89 2.06 3gc3A1 ILE 317 HG12 0.28 0.03 -0.15 -0.04 1.49 1.61 3gc3A1 ILE 317 HG13 0.43 -0.12 -0.45 -0.04 1.21 1.03 3gc3A1 ILE 317 HD13 0.16 -0.01 -0.26 -0.04 0.88 0.74 3gc3A1 ILE 318 HG23 0.01 0.01 -0.10 -0.04 0.93 0.81 3gc3A1 ILE 318 H 0.06 0.56 0.19 -0.55 8.25 8.50 3gc3A1 ILE 318 HA 0.04 0.16 0.88 -0.75 4.18 4.51 3gc3A1 ILE 318 HB 0.02 -0.08 0.12 -0.04 1.89 1.91 3gc3A1 ILE 318 HG12 0.02 0.03 -0.15 -0.04 1.49 1.34 3gc3A1 ILE 318 HG13 0.01 -0.00 -0.07 -0.04 1.21 1.10 3gc3A1 ILE 318 HD13 0.02 0.01 -0.37 -0.04 0.88 0.50 3gc3A1 VAL 319 HG13 -0.14 -0.01 -0.16 -0.04 0.97 0.62 3gc3A1 VAL 319 HG23 0.05 -0.02 -0.18 -0.04 0.95 0.76 3gc3A1 VAL 319 H 0.04 0.19 0.23 -0.55 8.24 8.15 3gc3A1 VAL 319 HA -0.02 0.34 1.18 -0.75 4.13 4.87 3gc3A1 VAL 319 HB 0.06 0.15 0.11 -0.04 2.12 2.40 3gc3A1 SER 320 H -0.13 0.63 0.44 -0.55 8.46 8.85 3gc3A1 SER 320 HA -0.02 0.09 0.57 -0.75 4.49 4.37 3gc3A1 SER 320 HB2 -0.05 -0.00 0.21 -0.04 3.95 4.07 3gc3A1 SER 320 HB3 -0.03 0.07 -0.08 -0.04 3.93 3.85 3gc3A1 TYR 321 H -0.08 0.33 0.33 -0.55 8.29 8.32 3gc3A1 TYR 321 HA -0.03 0.31 1.17 -0.75 4.56 5.26 3gc3A1 TYR 321 HB2 -1.03 0.05 0.01 -0.04 3.06 2.04 3gc3A1 TYR 321 HB3 -0.83 -0.00 -0.06 -0.04 2.98 2.05 3gc3A1 TYR 321 HD2 -0.07 -0.06 -0.18 -0.04 7.15 6.80 3gc3A1 TYR 321 HE2 0.04 0.06 -0.21 -0.04 6.85 6.70 3gc3A1 LYS 322 H 0.21 0.60 0.35 -0.55 8.42 9.04 3gc3A1 LYS 322 HA 0.16 0.18 0.76 -0.75 4.32 4.67 3gc3A1 LYS 322 HB2 0.24 -0.06 -0.12 -0.04 1.87 1.89 3gc3A1 LYS 322 HB3 0.12 -0.01 -0.14 -0.04 1.79 1.73 3gc3A1 LYS 322 HG2 -0.01 0.13 -0.14 -0.04 1.46 1.40 3gc3A1 LYS 322 HG3 0.08 -0.05 -0.40 -0.04 1.46 1.06 3gc3A1 LYS 322 HD2 -0.17 -0.02 -0.16 -0.04 1.69 1.30 3gc3A1 LYS 322 HD3 -0.02 -0.02 -0.17 -0.04 1.68 1.43 3gc3A1 LYS 322 HE2 -0.11 0.02 -0.07 -0.04 2.99 2.80 3gc3A1 LYS 322 HE3 -0.33 -0.00 -0.13 -0.04 2.99 2.49 3gc3A1 VAL 323 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.71 3gc3A1 VAL 323 HG23 -0.11 -0.00 -0.08 -0.04 0.95 0.72 3gc3A1 VAL 323 H 0.29 0.66 0.24 -0.55 8.24 8.88 3gc3A1 VAL 323 HA 0.14 0.29 1.03 -0.75 4.13 4.83 3gc3A1 VAL 323 HB 0.08 0.02 0.13 -0.04 2.12 2.31 3gc3A1 LYS 324 H 0.05 0.62 0.26 -0.55 8.42 8.81 3gc3A1 LYS 324 HA 0.04 0.28 1.11 -0.75 4.32 5.00 3gc3A1 LYS 324 HB2 0.07 -0.01 -0.09 -0.04 1.87 1.80 3gc3A1 LYS 324 HB3 0.04 -0.08 0.06 -0.04 1.79 1.76 3gc3A1 LYS 324 HG2 0.01 -0.03 -0.36 -0.04 1.46 1.03 3gc3A1 LYS 324 HG3 0.03 0.12 -0.06 -0.04 1.46 1.50 3gc3A1 LYS 324 HD2 0.05 -0.00 -0.13 -0.04 1.69 1.57 3gc3A1 LYS 324 HD3 0.02 -0.03 -0.15 -0.04 1.68 1.48 3gc3A1 LYS 324 HE2 0.01 -0.02 -0.19 -0.04 2.99 2.76 3gc3A1 LYS 324 HE3 0.03 0.01 -0.17 -0.04 2.99 2.82 3gc3A1 VAL 325 HG13 -0.03 -0.01 -0.20 -0.04 0.97 0.70 3gc3A1 VAL 325 HG23 -0.01 0.00 -0.21 -0.04 0.95 0.69 3gc3A1 VAL 325 H 0.01 0.62 0.25 -0.55 8.24 8.56 3gc3A1 VAL 325 HA -0.04 0.27 1.12 -0.75 4.13 4.72 3gc3A1 VAL 325 HB -0.01 -0.07 0.06 -0.04 2.12 2.07 3gc3A1 LYS 326 H -0.05 0.83 0.35 -0.55 8.42 8.99 3gc3A1 LYS 326 HA -0.01 0.26 1.22 -0.75 4.32 5.04 3gc3A1 LYS 326 HB2 -0.01 -0.02 -0.22 -0.04 1.87 1.58 3gc3A1 LYS 326 HB3 -0.03 -0.05 0.04 -0.04 1.79 1.71 3gc3A1 LYS 326 HG2 -0.01 0.10 -0.35 -0.04 1.46 1.16 3gc3A1 LYS 326 HG3 0.00 -0.02 -0.20 -0.04 1.46 1.20 3gc3A1 LYS 326 HD2 -0.01 -0.02 -0.15 -0.04 1.69 1.47 3gc3A1 LYS 326 HD3 -0.00 -0.03 -0.20 -0.04 1.68 1.40 3gc3A1 LYS 326 HE2 0.01 -0.03 -0.12 -0.04 2.99 2.81 3gc3A1 LYS 326 HE3 0.01 0.02 -0.15 -0.04 2.99 2.82 3gc3A1 LEU 327 H -0.00 0.92 0.38 -0.55 8.37 9.12 3gc3A1 LEU 327 HA -0.04 0.18 0.91 -0.75 4.35 4.64 3gc3A1 LEU 327 HB2 0.03 -0.10 0.18 -0.04 1.64 1.70 3gc3A1 LEU 327 HB3 -0.01 -0.01 -0.03 -0.04 1.64 1.55 3gc3A1 LEU 327 HG 0.00 0.08 -0.05 -0.04 1.64 1.63 3gc3A1 LEU 327 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.78 3gc3A1 LEU 327 HD23 -0.03 0.00 -0.19 -0.04 0.89 0.63 3gc3A1 VAL 328 HG13 -0.02 -0.00 -0.18 -0.04 0.97 0.73 3gc3A1 VAL 328 HG23 -0.02 0.02 -0.13 -0.04 0.95 0.77 3gc3A1 VAL 328 H -0.04 0.74 0.29 -0.55 8.24 8.68 3gc3A1 VAL 328 HA -0.01 0.09 0.85 -0.75 4.13 4.30 3gc3A1 VAL 328 HB -0.03 -0.07 0.16 -0.04 2.12 2.14 3gc3A1 VAL 329 HG13 -0.30 -0.01 -0.32 -0.04 0.97 0.29 3gc3A1 VAL 329 HG23 0.11 0.01 -0.15 -0.04 0.95 0.87 3gc3A1 VAL 329 H -0.00 0.21 0.08 -0.55 8.24 7.98 3gc3A1 VAL 329 HA -0.05 0.07 0.61 -0.75 4.13 4.01 3gc3A1 VAL 329 HB -0.02 0.18 -0.31 -0.04 2.12 1.93 3gc3A1 SER 330 H -0.07 0.61 0.32 -0.55 8.46 8.78 3gc3A1 SER 330 HA -0.05 0.04 0.74 -0.75 4.49 4.46 3gc3A1 SER 330 HB2 -0.05 0.02 0.14 -0.04 3.95 4.02 3gc3A1 SER 330 HB3 -0.07 -0.07 0.21 -0.04 3.93 3.96 3gc3A1 ARG 331 H -0.06 0.13 0.17 -0.55 8.46 8.15 3gc3A1 ARG 331 HA -0.06 -0.01 0.33 -0.75 4.34 3.86 3gc3A1 ARG 331 HB2 -0.10 0.20 0.16 -0.04 1.90 2.12 3gc3A1 ARG 331 HB3 -0.07 -0.03 0.22 -0.04 1.80 1.88 3gc3A1 ARG 331 HG2 -0.04 -0.00 0.03 -0.04 1.67 1.61 3gc3A1 ARG 331 HG3 -0.05 -0.09 -0.28 -0.04 1.67 1.20 3gc3A1 ARG 331 HD2 -0.05 0.04 -0.05 -0.04 3.22 3.12 3gc3A1 ARG 331 HD3 -0.04 -0.00 0.01 -0.04 3.22 3.15 3gc3A1 GLY 332 H -0.10 0.42 -0.32 -0.55 8.43 7.88 3gc3A1 GLY 332 HA2 -0.10 0.02 0.39 -0.51 4.01 3.80 3gc3A1 GLY 332 HA3 -0.44 0.05 0.20 -0.51 4.01 3.31 3gc3A1 GLY 333 H 0.20 0.07 0.10 -0.55 8.43 8.25 3gc3A1 GLY 333 HA2 0.06 0.04 0.48 -0.51 4.01 4.08 3gc3A1 GLY 333 HA3 0.13 0.05 0.34 -0.51 4.01 4.02 3gc3A1 ASP 334 H 0.05 0.05 0.19 -0.55 8.40 8.14 3gc3A1 ASP 334 HA 0.07 0.11 0.74 -0.75 4.63 4.80 3gc3A1 ASP 334 HB2 0.03 -0.04 0.06 -0.04 2.71 2.71 3gc3A1 ASP 334 HB3 0.02 0.12 0.07 -0.04 2.70 2.87 3gc3A1 VAL 335 HG13 0.00 0.01 -0.20 -0.04 0.97 0.74 3gc3A1 VAL 335 HG23 0.10 0.03 -0.18 -0.04 0.95 0.86 3gc3A1 VAL 335 H 0.05 0.43 0.30 -0.55 8.24 8.47 3gc3A1 VAL 335 HA 0.02 0.14 0.81 -0.75 4.13 4.35 3gc3A1 VAL 335 HB 0.06 -0.05 0.09 -0.04 2.12 2.17 3gc3A1 ALA 336 H 0.01 0.26 0.16 -0.55 8.40 8.28 3gc3A1 ALA 336 HA -0.00 0.33 0.99 -0.75 4.34 4.90 3gc3A1 ALA 336 HB3 0.01 -0.01 -0.09 -0.04 1.41 1.27 3gc3A1 VAL 337 HG13 -0.02 0.02 -0.26 -0.04 0.97 0.67 3gc3A1 VAL 337 HG23 -0.01 0.00 -0.19 -0.04 0.95 0.72 3gc3A1 VAL 337 H -0.00 0.44 0.30 -0.55 8.24 8.43 3gc3A1 VAL 337 HA 0.00 0.14 0.43 -0.75 4.13 3.94 3gc3A1 VAL 337 HB 0.00 0.04 -0.00 -0.04 2.12 2.12 3gc3A1 GLU 338 H 0.01 0.26 0.16 -0.55 8.60 8.48 3gc3A1 GLU 338 HA 0.05 0.37 0.99 -0.75 4.29 4.94 3gc3A1 GLU 338 HB2 0.01 -0.03 0.02 -0.04 2.09 2.05 3gc3A1 GLU 338 HB3 0.04 0.02 -0.09 -0.04 1.99 1.92 3gc3A1 GLU 338 HG2 0.06 0.05 -0.08 -0.04 2.34 2.33 3gc3A1 GLU 338 HG3 0.03 -0.09 -0.44 -0.04 2.34 1.79 3gc3A1 LEU 339 H 0.09 0.57 0.19 -0.55 8.37 8.67 3gc3A1 LEU 339 HA 0.05 0.20 0.88 -0.75 4.35 4.73 3gc3A1 LEU 339 HB2 0.07 -0.06 0.05 -0.04 1.64 1.66 3gc3A1 LEU 339 HB3 0.08 0.09 -0.05 -0.04 1.64 1.71 3gc3A1 LEU 339 HG 0.03 -0.01 -0.55 -0.04 1.64 1.07 3gc3A1 LEU 339 HD13 0.02 -0.02 -0.31 -0.04 0.93 0.58 3gc3A1 LEU 339 HD23 0.03 0.04 -0.29 -0.04 0.89 0.62 3gc3A1 PRO 340 HA 0.05 0.14 0.70 -0.51 4.44 4.82 3gc3A1 PRO 340 HB2 0.01 0.06 0.09 -0.04 2.28 2.40 3gc3A1 PRO 340 HB3 -0.02 -0.01 0.14 -0.04 2.02 2.10 3gc3A1 PRO 340 HG2 0.04 0.04 0.13 -0.04 2.03 2.19 3gc3A1 PRO 340 HG3 0.01 0.02 0.10 -0.04 2.03 2.12 3gc3A1 PRO 340 HD2 0.04 0.09 0.28 -0.04 3.68 4.05 3gc3A1 PRO 340 HD3 0.02 0.14 0.06 -0.04 3.65 3.83 3gc3A1 PHE 341 H -0.12 0.52 0.36 -0.55 8.34 8.55 3gc3A1 PHE 341 HA 0.06 0.15 0.30 -0.75 4.62 4.37 3gc3A1 PHE 341 HB2 0.21 0.05 0.10 -0.04 3.15 3.48 3gc3A1 PHE 341 HB3 0.11 0.07 -0.05 -0.04 3.06 3.15 3gc3A1 PHE 341 HD2 0.08 0.07 -0.32 -0.04 7.28 7.07 3gc3A1 PHE 341 HE2 -0.12 0.00 -0.36 -0.04 7.38 6.87 3gc3A1 PHE 341 HZ -0.14 -0.02 -0.18 -0.04 7.32 6.94 3gc3A1 THR 342 HG23 -0.03 -0.00 -0.16 -0.04 1.22 0.99 3gc3A1 THR 342 H 0.24 0.67 0.31 -0.55 8.28 8.95 3gc3A1 THR 342 HA -0.04 0.11 1.07 -0.75 4.39 4.78 3gc3A1 THR 342 HB -0.01 0.02 0.17 -0.04 4.32 4.45 3gc3A1 LEU 343 H -0.02 0.12 0.18 -0.55 8.37 8.09 3gc3A1 LEU 343 HA -0.04 0.34 0.96 -0.75 4.35 4.85 3gc3A1 LEU 343 HB2 -0.31 -0.03 -0.12 -0.04 1.64 1.14 3gc3A1 LEU 343 HB3 -0.36 -0.03 0.09 -0.04 1.64 1.30 3gc3A1 LEU 343 HG -0.23 0.06 -0.34 -0.04 1.64 1.09 3gc3A1 LEU 343 HD13 -0.05 0.00 -0.31 -0.04 0.93 0.54 3gc3A1 LEU 343 HD23 -0.28 0.04 -0.19 -0.04 0.89 0.42 3gc3A1 MET 344 H -0.22 0.71 0.41 -0.55 8.47 8.82 3gc3A1 MET 344 HA -0.02 0.13 0.89 -0.75 4.52 4.76 3gc3A1 MET 344 HB2 -0.24 0.02 -0.04 -0.04 2.15 1.85 3gc3A1 MET 344 HB3 0.09 0.07 0.06 -0.04 2.03 2.21 3gc3A1 MET 344 HG2 -0.12 -0.10 -0.45 -0.04 2.63 1.92 3gc3A1 MET 344 HG3 -0.17 0.03 -0.16 -0.04 2.56 2.22 3gc3A1 MET 344 HE3 0.02 -0.01 -0.06 -0.04 2.10 2.00 3gc3A1 HIS 345 H 0.16 0.52 0.35 -0.55 8.41 8.90 3gc3A1 HIS 345 HA 0.02 0.03 0.86 -0.75 4.63 4.79 3gc3A1 HIS 345 HB2 0.17 -0.11 0.14 -0.04 3.26 3.42 3gc3A1 HIS 345 HB3 0.11 -0.01 -0.24 -0.04 3.20 3.02 3gc3A1 HIS 345 HD2 0.22 -0.01 0.03 -0.04 6.97 7.17 3gc3A1 HIS 345 HE1 0.02 -0.05 -0.08 -0.04 7.75 7.59 3gc3A1 PRO 346 HA -0.10 0.04 0.44 -0.51 4.44 4.31 3gc3A1 PRO 346 HB2 -0.12 0.15 -0.02 -0.04 2.28 2.24 3gc3A1 PRO 346 HB3 -0.14 -0.01 0.10 -0.04 2.02 1.94 3gc3A1 PRO 346 HG2 -0.27 0.02 -0.01 -0.04 2.03 1.73 3gc3A1 PRO 346 HG3 -0.14 0.06 0.06 -0.04 2.03 1.97 3gc3A1 PRO 346 HD2 -1.02 0.06 0.24 -0.04 3.68 2.92 3gc3A1 PRO 346 HD3 -0.11 0.04 0.29 -0.04 3.65 3.84 3gc3A1 LYS 347 H -0.17 0.05 0.12 -0.55 8.42 7.87 3gc3A1 LYS 347 HA -0.27 0.09 0.50 -0.75 4.32 3.89 3gc3A1 LYS 347 HB2 -0.47 0.01 0.09 -0.04 1.87 1.46 3gc3A1 LYS 347 HB3 -1.14 -0.05 0.09 -0.04 1.79 0.65 3gc3A1 LYS 347 HG2 -0.20 -0.10 0.01 -0.04 1.46 1.13 3gc3A1 LYS 347 HG3 -0.16 0.28 -0.30 -0.04 1.46 1.24 3gc3A1 LYS 347 HD2 -0.16 0.02 -0.01 -0.04 1.69 1.50 3gc3A1 LYS 347 HD3 -0.20 -0.05 -0.00 -0.04 1.68 1.39 3gc3A1 LYS 347 HE2 -0.07 -0.05 -0.01 -0.04 2.99 2.82 3gc3A1 LYS 347 HE3 -0.08 0.07 -0.03 -0.04 2.99 2.91 3gc3A1 PRO 348 HA -0.01 0.01 0.41 -0.51 4.44 4.35 3gc3A1 PRO 348 HB2 -0.02 0.02 0.02 -0.04 2.28 2.27 3gc3A1 PRO 348 HB3 -0.01 0.01 0.10 -0.04 2.02 2.07 3gc3A1 PRO 348 HG2 0.05 0.01 0.10 -0.04 2.03 2.15 3gc3A1 PRO 348 HG3 -0.01 0.04 0.10 -0.04 2.03 2.12 3gc3A1 PRO 348 HD2 -0.03 0.08 0.18 -0.04 3.68 3.86 3gc3A1 PRO 348 HD3 -0.10 0.15 0.20 -0.04 3.65 3.87 3gc3A1 LYS 349 H -0.02 0.09 0.08 -0.55 8.42 8.02 3gc3A1 LYS 349 HA -0.04 0.22 0.64 -0.75 4.32 4.39 3gc3A1 THR 367 HG23 -0.00 -0.00 0.06 -0.04 1.22 1.23 3gc3A1 THR 367 H -0.00 0.07 0.11 -0.55 8.28 7.91 3gc3A1 THR 367 HA -0.00 0.19 0.48 -0.75 4.39 4.30 3gc3A1 THR 367 HB -0.00 -0.04 -0.01 -0.04 4.32 4.22 3gc3A1 ASN 368 H -0.00 0.03 -0.28 -0.55 8.53 7.73 3gc3A1 ASN 368 HA -0.00 -0.05 0.21 -0.75 4.76 4.16 3gc3A1 ASN 368 HB2 -0.01 0.03 0.09 -0.04 2.88 2.96 3gc3A1 ASN 368 HB3 -0.01 0.16 0.10 -0.04 2.79 3.00 3gc3A1 ASN 368 HD21 -0.01 -0.01 0.04 -0.04 7.03 7.01 3gc3A1 ASN 368 HD22 -0.01 0.03 0.07 -0.04 7.74 7.79 3gc3A1 LEU 369 H -0.00 0.06 0.20 -0.55 8.37 8.08 3gc3A1 LEU 369 HA -0.00 0.17 0.58 -0.75 4.35 4.34 3gc3A1 LEU 369 HB2 -0.00 -0.05 0.09 -0.04 1.64 1.63 3gc3A1 LEU 369 HB3 -0.00 0.00 0.14 -0.04 1.64 1.74 3gc3A1 LEU 369 HG -0.00 -0.01 0.11 -0.04 1.64 1.69 3gc3A1 LEU 369 HD13 -0.00 -0.01 0.04 -0.04 0.93 0.91 3gc3A1 LEU 369 HD23 -0.00 0.02 0.00 -0.04 0.89 0.87 3gc3A1 ILE 370 HG23 -0.01 -0.03 -0.16 -0.04 0.93 0.69 3gc3A1 ILE 370 H -0.01 0.05 -0.15 -0.55 8.25 7.59 3gc3A1 ILE 370 HA -0.01 0.23 0.77 -0.75 4.18 4.42 3gc3A1 ILE 370 HB -0.01 0.01 -0.10 -0.04 1.89 1.75 3gc3A1 ILE 370 HG12 -0.01 0.03 -0.10 -0.04 1.49 1.38 3gc3A1 ILE 370 HG13 -0.01 0.04 0.11 -0.04 1.21 1.32 3gc3A1 ILE 370 HD13 -0.01 0.00 -0.04 -0.04 0.88 0.79 3gc3A1 GLU 371 H -0.01 0.23 0.07 -0.55 8.60 8.34 3gc3A1 GLU 371 HA -0.01 0.10 0.86 -0.75 4.29 4.49 3gc3A1 GLU 371 HB2 -0.01 0.05 -0.09 -0.04 2.09 2.01 3gc3A1 GLU 371 HB3 -0.01 0.03 -0.15 -0.04 1.99 1.82 3gc3A1 GLU 371 HG2 -0.01 -0.05 -0.50 -0.04 2.34 1.74 3gc3A1 GLU 371 HG3 -0.01 0.01 -0.04 -0.04 2.34 2.25 3gc3A1 LEU 372 H -0.01 0.04 0.04 -0.55 8.37 7.89 3gc3A1 LEU 372 HA -0.01 0.27 0.76 -0.75 4.35 4.61 3gc3A1 LEU 372 HB2 -0.01 -0.06 0.05 -0.04 1.64 1.58 3gc3A1 LEU 372 HB3 -0.01 0.05 -0.05 -0.04 1.64 1.60 3gc3A1 LEU 372 HG -0.01 -0.06 -0.27 -0.04 1.64 1.26 3gc3A1 LEU 372 HD13 -0.01 0.00 -0.07 -0.04 0.93 0.82 3gc3A1 LEU 372 HD23 -0.01 0.05 -0.19 -0.04 0.89 0.69 3gc3A1 ASP 373 H -0.01 0.01 0.02 -0.55 8.40 7.88 3gc3A1 ILE 378 HG23 -0.08 -0.02 0.06 -0.04 0.93 0.86 3gc3A1 ILE 378 HA -0.18 0.19 0.28 -0.75 4.18 3.71 3gc3A1 ILE 378 HB -0.14 -0.08 0.03 -0.04 1.89 1.66 3gc3A1 ILE 378 HG12 -0.34 -0.03 -0.06 -0.04 1.49 1.02 3gc3A1 ILE 378 HG13 -0.46 0.14 -0.30 -0.04 1.21 0.55 3gc3A1 ILE 378 HD13 -0.20 -0.02 -0.13 -0.04 0.88 0.49 3gc3A1 VAL 379 HG13 0.01 -0.00 -0.06 -0.04 0.97 0.87 3gc3A1 VAL 379 HG23 -0.04 -0.00 -0.12 -0.04 0.95 0.74 3gc3A1 VAL 379 H -0.19 0.38 -0.07 -0.55 8.24 7.81 3gc3A1 VAL 379 HA -0.11 0.13 0.85 -0.75 4.13 4.25 3gc3A1 VAL 379 HB -0.09 0.01 -0.09 -0.04 2.12 1.91 3gc3A1 PHE 380 H 0.15 0.12 0.18 -0.55 8.34 8.24 3gc3A1 PHE 380 HA -0.03 0.30 0.89 -0.75 4.62 5.04 3gc3A1 PHE 380 HB2 0.04 -0.06 0.08 -0.04 3.15 3.18 3gc3A1 PHE 380 HB3 0.08 -0.01 -0.05 -0.04 3.06 3.05 3gc3A1 PHE 380 HD2 0.13 -0.01 -0.06 -0.04 7.28 7.30 3gc3A1 PHE 380 HE2 -0.00 0.00 -0.09 -0.04 7.38 7.24 3gc3A1 PHE 380 HZ -0.11 0.07 -0.09 -0.04 7.32 7.15 3gc3A1 GLU 381 H 0.15 0.57 0.39 -0.55 8.60 9.16 3gc3A1 GLU 381 HA 0.11 0.11 0.87 -0.75 4.29 4.63 3gc3A1 GLU 381 HB2 -0.07 0.02 -0.25 -0.04 2.09 1.75 3gc3A1 GLU 381 HB3 -0.09 -0.01 -0.12 -0.04 1.99 1.74 3gc3A1 GLU 381 HG2 0.25 0.20 -0.01 -0.04 2.34 2.73 3gc3A1 GLU 381 HG3 0.10 -0.05 0.08 -0.04 2.34 2.43 3gc3A1 ASP 382 H 0.14 0.13 0.16 -0.55 8.40 8.28 3gc3A1 ASP 382 HA 0.19 0.23 0.96 -0.75 4.63 5.25 3gc3A1 ASP 382 HB2 0.11 -0.00 0.08 -0.04 2.71 2.86 3gc3A1 ASP 382 HB3 0.12 -0.08 0.04 -0.04 2.70 2.75 3gc3A1 PHE 383 H 0.34 0.48 0.25 -0.55 8.34 8.85 3gc3A1 PHE 383 HA -0.01 0.06 0.40 -0.75 4.62 4.32 3gc3A1 PHE 383 HB2 0.08 0.13 -0.03 -0.04 3.15 3.29 3gc3A1 PHE 383 HB3 0.02 -0.06 0.05 -0.04 3.06 3.04 3gc3A1 PHE 383 HD2 0.06 -0.02 -0.19 -0.04 7.28 7.09 3gc3A1 PHE 383 HE2 0.05 0.13 -0.07 -0.04 7.38 7.46 3gc3A1 PHE 383 HZ 0.06 0.05 -0.16 -0.04 7.32 7.22 3gc3A1 ALA 384 H 0.18 0.09 -0.12 -0.55 8.40 8.00 3gc3A1 ALA 384 HA 0.05 0.03 0.18 -0.75 4.34 3.85 3gc3A1 ALA 384 HB3 0.05 0.02 -0.05 -0.04 1.41 1.39