============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 44.577 21.726 58.433 -99.200 -91.000 PHE 29 1.000 41.289 17.933 62.501 -99.200 -91.000 TYR 32 0.840 42.770 26.514 61.464 -99.200 -91.000 HIS 35 0.900 32.559 24.047 57.628 -99.200 -91.000 TRP 36 1.040 32.306 15.110 57.221 -99.200 -91.000 TRP6 36 1.020 33.648 13.853 55.713 -99.200 -91.000 TRP 47 1.040 27.106 22.650 56.318 -99.200 -91.000 TRP6 47 1.020 25.257 22.816 57.802 -99.200 -91.000 TRP 53 1.040 38.406 25.279 69.313 -99.200 -91.000 TRP6 53 1.020 39.576 24.309 71.137 -99.200 -91.000 TYR 60 0.840 24.561 16.716 62.958 -99.200 -91.000 PHE 68 1.000 24.079 11.443 56.451 -99.200 -91.000 TYR 80 0.840 37.194 9.787 62.747 -99.200 -91.000 TYR 94 0.840 28.377 12.405 51.172 -99.200 -91.000 TYR 95 0.840 34.553 18.019 47.261 -99.200 -91.000 TYR 102 0.840 42.909 31.172 65.953 -99.200 -91.000 TYR 105 0.840 31.271 36.685 65.483 -99.200 -91.000 TYR 106 0.840 37.564 38.480 58.941 -99.200 -91.000 TYR 107 0.840 31.457 32.450 60.351 -99.200 -91.000 TRP 112 1.040 36.929 23.410 49.784 -99.200 -91.000 TRP6 112 1.020 34.639 22.795 49.753 -99.200 -91.000 PHE 131 1.000 28.719 -3.456 22.514 -99.200 -91.000 TYR 148 0.840 29.639 2.783 32.841 -99.200 -91.000 PHE 149 1.000 24.279 1.638 39.722 -99.200 -91.000 TRP 157 1.040 41.166 6.346 23.230 -99.200 -91.000 TRP6 157 1.020 40.339 4.850 21.597 -99.200 -91.000 HIS 167 0.900 37.416 15.876 22.077 -99.200 -91.000 PHE 169 1.000 31.960 13.059 23.463 -99.200 -91.000 TYR 179 0.840 25.344 6.052 35.584 -99.200 -91.000 TYR 197 0.840 44.845 4.935 15.957 -99.200 -91.000 HIS 203 0.900 32.173 -0.493 36.410 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gizH1 GLU 1 HA 0.03 -0.08 0.20 -0.75 4.29 3.68 3gizH1 GLU 1 HB2 0.04 -0.03 -0.20 -0.04 2.09 1.86 3gizH1 GLU 1 HB3 0.03 0.03 -0.07 -0.04 1.99 1.94 3gizH1 GLU 1 HG2 0.02 -0.02 0.02 -0.04 2.34 2.32 3gizH1 GLU 1 HG3 0.02 -0.02 -0.01 -0.04 2.34 2.29 3gizH1 VAL 2 H 0.04 0.07 0.09 -0.55 8.24 7.89 3gizH1 VAL 2 HA 0.16 0.21 0.87 -0.75 4.13 4.62 3gizH1 VAL 2 HB 0.01 -0.04 0.15 -0.04 2.12 2.19 3gizH1 VAL 2 HG13 -0.04 -0.02 -0.17 -0.04 0.97 0.70 3gizH1 VAL 2 HG23 0.06 0.02 -0.05 -0.04 0.95 0.94 3gizH1 GLN 3 H 0.18 0.65 0.31 -0.55 8.47 9.07 3gizH1 GLN 3 HA 0.08 0.16 0.85 -0.75 4.36 4.70 3gizH1 GLN 3 HB2 0.06 -0.04 -0.09 -0.04 2.15 2.04 3gizH1 GLN 3 HB3 0.06 0.00 0.00 -0.04 2.02 2.05 3gizH1 GLN 3 HG2 0.05 0.01 -0.70 -0.04 2.40 1.73 3gizH1 GLN 3 HG3 0.05 0.08 -0.23 -0.04 2.39 2.25 3gizH1 GLN 3 HE21 0.03 -0.03 -0.06 -0.04 6.97 6.87 3gizH1 GLN 3 HE22 0.04 0.03 -0.06 -0.04 7.69 7.66 3gizH1 LEU 4 H 0.09 0.30 0.15 -0.55 8.37 8.36 3gizH1 LEU 4 HA 0.10 0.26 0.58 -0.75 4.35 4.53 3gizH1 LEU 4 HB2 0.08 0.03 -0.22 -0.04 1.64 1.49 3gizH1 LEU 4 HB3 0.04 -0.08 -0.16 -0.04 1.64 1.40 3gizH1 LEU 4 HG 0.09 -0.00 -0.39 -0.04 1.64 1.30 3gizH1 LEU 4 HD13 -0.07 -0.04 -0.42 -0.04 0.93 0.36 3gizH1 LEU 4 HD23 0.27 0.02 -0.08 -0.04 0.89 1.07 3gizH1 VAL 5 H 0.04 0.62 0.14 -0.55 8.24 8.48 3gizH1 VAL 5 HA 0.08 0.07 1.11 -0.75 4.13 4.63 3gizH1 VAL 5 HB 0.03 0.01 0.14 -0.04 2.12 2.26 3gizH1 VAL 5 HG13 0.05 0.01 -0.08 -0.04 0.97 0.91 3gizH1 VAL 5 HG23 0.05 0.00 -0.19 -0.04 0.95 0.77 3gizH1 GLU 6 H 0.11 0.02 0.20 -0.55 8.60 8.38 3gizH1 GLU 6 HA 0.16 0.39 1.25 -0.75 4.29 5.33 3gizH1 GLU 6 HB2 0.40 0.10 0.17 -0.04 2.09 2.72 3gizH1 GLU 6 HB3 0.22 -0.08 0.11 -0.04 1.99 2.21 3gizH1 GLU 6 HG2 0.17 0.04 -0.14 -0.04 2.34 2.37 3gizH1 GLU 6 HG3 0.35 0.24 0.14 -0.04 2.34 3.03 3gizH1 SER 7 H 0.18 0.60 0.46 -0.55 8.46 9.15 3gizH1 SER 7 HA 0.06 0.08 0.61 -0.75 4.49 4.49 3gizH1 SER 7 HB2 0.04 -0.02 0.16 -0.04 3.95 4.08 3gizH1 SER 7 HB3 0.05 0.13 -0.03 -0.04 3.93 4.04 3gizH1 GLY 8 H 0.01 0.21 0.22 -0.55 8.43 8.32 3gizH1 GLY 8 HA2 -0.02 0.03 0.40 -0.51 4.01 3.91 3gizH1 GLY 8 HA3 -0.03 0.27 0.88 -0.51 4.01 4.62 3gizH1 GLY 9 H -0.02 -0.09 -0.16 -0.55 8.43 7.61 3gizH1 GLY 9 HA2 -0.11 0.04 0.28 -0.51 4.01 3.70 3gizH1 GLY 9 HA3 -0.04 0.01 0.11 -0.51 4.01 3.58 3gizH1 GLY 10 H -0.06 0.25 0.37 -0.55 8.43 8.45 3gizH1 GLY 10 HA2 -0.04 0.03 0.39 -0.51 4.01 3.89 3gizH1 GLY 10 HA3 -0.04 0.11 0.42 -0.51 4.01 3.99 3gizH1 LEU 11 H -0.02 0.18 0.19 -0.55 8.37 8.17 3gizH1 LEU 11 HA 0.01 0.31 1.05 -0.75 4.35 4.96 3gizH1 LEU 11 HB2 -0.02 -0.03 0.08 -0.04 1.64 1.63 3gizH1 LEU 11 HB3 -0.00 -0.03 0.20 -0.04 1.64 1.77 3gizH1 LEU 11 HG 0.07 0.00 -0.24 -0.04 1.64 1.43 3gizH1 LEU 11 HD13 0.14 0.06 -0.06 -0.04 0.93 1.03 3gizH1 LEU 11 HD23 0.08 0.01 -0.05 -0.04 0.89 0.90 3gizH1 VAL 12 H 0.02 0.66 0.37 -0.55 8.24 8.74 3gizH1 VAL 12 HA 0.01 0.13 0.80 -0.75 4.13 4.32 3gizH1 VAL 12 HB -0.01 -0.03 -0.00 -0.04 2.12 2.04 3gizH1 VAL 12 HG13 -0.03 0.02 -0.23 -0.04 0.97 0.69 3gizH1 VAL 12 HG23 -0.02 -0.00 -0.27 -0.04 0.95 0.61 3gizH1 GLN 13 H 0.01 0.07 0.12 -0.55 8.47 8.14 3gizH1 GLN 13 HA 0.04 0.32 0.58 -0.75 4.36 4.55 3gizH1 GLN 13 HB2 0.01 -0.06 0.06 -0.04 2.15 2.12 3gizH1 GLN 13 HB3 0.02 0.03 0.08 -0.04 2.02 2.11 3gizH1 GLN 13 HG2 0.04 0.22 -0.01 -0.04 2.40 2.61 3gizH1 GLN 13 HG3 0.02 -0.07 0.04 -0.04 2.39 2.34 3gizH1 GLN 13 HE21 0.01 -0.03 0.03 -0.04 6.97 6.94 3gizH1 GLN 13 HE22 0.01 -0.03 0.02 -0.04 7.69 7.65 3gizH1 PRO 14 HA 0.03 0.23 0.41 -0.51 4.44 4.60 3gizH1 PRO 14 HB2 0.01 0.02 0.03 -0.04 2.28 2.30 3gizH1 PRO 14 HB3 0.02 0.01 0.10 -0.04 2.02 2.10 3gizH1 PRO 14 HG2 0.02 0.00 0.01 -0.04 2.03 2.02 3gizH1 PRO 14 HG3 0.03 0.00 -0.10 -0.04 2.03 1.92 3gizH1 PRO 14 HD2 0.02 0.11 0.03 -0.04 3.68 3.80 3gizH1 PRO 14 HD3 0.04 0.10 -0.30 -0.04 3.65 3.45 3gizH1 GLY 15 H 0.02 0.75 0.17 -0.55 8.43 8.83 3gizH1 GLY 15 HA2 0.01 -0.03 0.33 -0.51 4.01 3.81 3gizH1 GLY 15 HA3 0.01 0.11 0.58 -0.51 4.01 4.19 3gizH1 ARG 16 H 0.00 0.43 -0.43 -0.55 8.46 7.90 3gizH1 ARG 16 HA -0.01 0.12 0.71 -0.75 4.34 4.40 3gizH1 ARG 16 HB2 -0.00 0.21 0.07 -0.04 1.90 2.13 3gizH1 ARG 16 HB3 -0.02 0.03 0.13 -0.04 1.80 1.90 3gizH1 ARG 16 HG2 -0.01 -0.00 0.07 -0.04 1.67 1.68 3gizH1 ARG 16 HG3 -0.01 -0.01 0.06 -0.04 1.67 1.67 3gizH1 ARG 16 HD2 -0.00 0.01 -0.18 -0.04 3.22 3.00 3gizH1 ARG 16 HD3 0.00 0.02 -0.10 -0.04 3.22 3.11 3gizH1 SER 17 H -0.03 0.14 0.20 -0.55 8.46 8.22 3gizH1 SER 17 HA -0.07 0.32 0.95 -0.75 4.49 4.94 3gizH1 SER 17 HB2 -0.05 -0.06 0.10 -0.04 3.95 3.90 3gizH1 SER 17 HB3 -0.07 0.01 0.00 -0.04 3.93 3.83 3gizH1 LEU 18 H -0.17 0.61 0.33 -0.55 8.37 8.60 3gizH1 LEU 18 HA -0.11 0.10 0.51 -0.75 4.35 4.09 3gizH1 LEU 18 HB2 -0.23 -0.05 -0.04 -0.04 1.64 1.28 3gizH1 LEU 18 HB3 -0.21 0.05 -0.16 -0.04 1.64 1.28 3gizH1 LEU 18 HG -0.10 0.03 -0.25 -0.04 1.64 1.28 3gizH1 LEU 18 HD13 -0.14 -0.01 -0.13 -0.04 0.93 0.61 3gizH1 LEU 18 HD23 -0.08 0.08 0.01 -0.04 0.89 0.85 3gizH1 ARG 19 H -0.12 0.23 0.13 -0.55 8.46 8.16 3gizH1 ARG 19 HA -0.18 0.29 1.11 -0.75 4.34 4.80 3gizH1 ARG 19 HB2 -0.09 -0.04 -0.01 -0.04 1.90 1.72 3gizH1 ARG 19 HB3 -0.07 -0.00 0.10 -0.04 1.80 1.79 3gizH1 ARG 19 HG2 -0.01 0.04 -0.29 -0.04 1.67 1.37 3gizH1 ARG 19 HG3 -0.07 -0.01 -0.13 -0.04 1.67 1.42 3gizH1 ARG 19 HD2 -0.09 -0.01 -0.07 -0.04 3.22 3.01 3gizH1 ARG 19 HD3 -0.09 -0.00 -0.09 -0.04 3.22 3.00 3gizH1 LEU 20 H -0.26 0.61 0.28 -0.55 8.37 8.45 3gizH1 LEU 20 HA -0.07 0.30 1.04 -0.75 4.35 4.86 3gizH1 LEU 20 HB2 -0.82 -0.11 0.02 -0.04 1.64 0.69 3gizH1 LEU 20 HB3 -0.23 0.04 0.04 -0.04 1.64 1.45 3gizH1 LEU 20 HG -0.61 0.07 -0.09 -0.04 1.64 0.97 3gizH1 LEU 20 HD13 -0.86 -0.01 -0.12 -0.04 0.93 -0.11 3gizH1 LEU 20 HD23 -0.29 -0.01 -0.42 -0.04 0.89 0.14 3gizH1 SER 21 H 0.15 0.54 0.36 -0.55 8.46 8.96 3gizH1 SER 21 HA 0.34 0.24 1.00 -0.75 4.49 5.32 3gizH1 SER 21 HB2 0.15 -0.04 0.04 -0.04 3.95 4.06 3gizH1 SER 21 HB3 0.19 -0.00 0.03 -0.04 3.93 4.11 3gizH1 CYS 22 H 0.02 0.55 0.27 -0.55 8.50 8.79 3gizH1 CYS 22 HA 0.07 0.20 0.66 -0.75 4.58 4.76 3gizH1 CYS 22 HB2 -0.27 -0.02 -0.09 -0.04 2.97 2.55 3gizH1 CYS 22 HB3 -0.18 0.04 0.09 -0.04 2.97 2.87 3gizH1 ALA 23 H 0.01 0.73 0.24 -0.55 8.40 8.84 3gizH1 ALA 23 HA -0.16 0.17 0.78 -0.75 4.34 4.38 3gizH1 ALA 23 HB3 -0.03 0.01 0.10 -0.04 1.41 1.45 3gizH1 ALA 24 H -0.28 0.77 0.50 -0.55 8.40 8.84 3gizH1 ALA 24 HA 0.05 0.22 1.03 -0.75 4.34 4.89 3gizH1 ALA 24 HB3 -0.09 -0.03 0.11 -0.04 1.41 1.36 3gizH1 SER 25 H 0.07 0.56 0.37 -0.55 8.46 8.91 3gizH1 SER 25 HA -0.12 0.04 0.39 -0.75 4.49 4.04 3gizH1 SER 25 HB2 -0.02 -0.03 0.17 -0.04 3.95 4.02 3gizH1 SER 25 HB3 -0.05 0.14 0.14 -0.04 3.93 4.12 3gizH1 GLY 26 H -0.02 0.11 0.18 -0.55 8.43 8.16 3gizH1 GLY 26 HA2 0.04 -0.00 0.36 -0.51 4.01 3.90 3gizH1 GLY 26 HA3 0.10 0.55 0.64 -0.51 4.01 4.79 3gizH1 PHE 27 H -0.12 0.19 -0.19 -0.55 8.34 7.66 3gizH1 PHE 27 HA 0.03 0.14 0.49 -0.75 4.62 4.54 3gizH1 PHE 27 HB2 -0.00 -0.04 0.05 -0.04 3.15 3.12 3gizH1 PHE 27 HB3 -0.01 0.11 -0.14 -0.04 3.06 2.97 3gizH1 PHE 27 HD2 0.03 0.06 -0.28 -0.04 7.28 7.05 3gizH1 PHE 27 HE2 0.03 0.11 -0.11 -0.04 7.38 7.37 3gizH1 PHE 27 HZ 0.13 -0.00 -0.11 -0.04 7.32 7.30 3gizH1 THR 28 H 0.30 0.20 0.04 -0.55 8.28 8.27 3gizH1 THR 28 HA -0.00 0.10 0.53 -0.75 4.39 4.27 3gizH1 THR 28 HB 0.09 0.02 0.19 -0.04 4.32 4.59 3gizH1 THR 28 HG23 -0.04 -0.02 -0.03 -0.04 1.22 1.09 3gizH1 PHE 29 H -0.11 0.37 0.25 -0.55 8.34 8.29 3gizH1 PHE 29 HA -0.06 0.07 0.26 -0.75 4.62 4.13 3gizH1 PHE 29 HB2 -0.52 0.07 0.09 -0.04 3.15 2.76 3gizH1 PHE 29 HB3 -0.17 0.02 0.19 -0.04 3.06 3.05 3gizH1 PHE 29 HD2 -0.04 -0.01 -0.08 -0.04 7.28 7.11 3gizH1 PHE 29 HE2 -0.01 -0.05 -0.23 -0.04 7.38 7.04 3gizH1 PHE 29 HZ -0.05 -0.00 -0.38 -0.04 7.32 6.84 3gizH1 ASN 30 H 0.11 0.08 -0.14 -0.55 8.53 8.03 3gizH1 ASN 30 HA 0.09 0.15 0.37 -0.75 4.76 4.61 3gizH1 ASN 30 HB2 0.19 0.02 0.11 -0.04 2.88 3.16 3gizH1 ASN 30 HB3 0.17 -0.01 0.09 -0.04 2.79 3.00 3gizH1 ASN 30 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.96 3gizH1 ASN 30 HD22 0.07 -0.01 -0.02 -0.04 7.74 7.74 3gizH1 ASP 31 H -0.12 0.38 -0.46 -0.55 8.40 7.65 3gizH1 ASP 31 HA -0.51 0.06 0.61 -0.75 4.63 4.03 3gizH1 ASP 31 HB2 -0.73 0.19 0.09 -0.04 2.71 2.22 3gizH1 ASP 31 HB3 -0.79 -0.01 0.07 -0.04 2.70 1.92 3gizH1 TYR 32 H -0.02 0.45 -0.10 -0.55 8.29 8.06 3gizH1 TYR 32 HA 0.07 0.20 0.95 -0.75 4.56 5.02 3gizH1 TYR 32 HB2 0.02 -0.00 0.03 -0.04 3.06 3.06 3gizH1 TYR 32 HB3 -0.01 0.11 0.11 -0.04 2.98 3.16 3gizH1 TYR 32 HD2 0.14 0.12 -0.08 -0.04 7.15 7.30 3gizH1 TYR 32 HE2 0.06 -0.07 -0.05 -0.04 6.85 6.75 3gizH1 ALA 33 H 0.15 0.17 0.23 -0.55 8.40 8.40 3gizH1 ALA 33 HA -0.02 0.18 0.80 -0.75 4.34 4.55 3gizH1 ALA 33 HB3 -0.00 -0.03 0.10 -0.04 1.41 1.43 3gizH1 MET 34 H -0.17 0.62 0.37 -0.55 8.47 8.75 3gizH1 MET 34 HA -0.23 0.26 1.02 -0.75 4.52 4.82 3gizH1 MET 34 HB2 -0.11 0.00 0.06 -0.04 2.15 2.06 3gizH1 MET 34 HB3 -0.16 -0.03 0.01 -0.04 2.03 1.82 3gizH1 MET 34 HG2 -0.33 0.15 -0.31 -0.04 2.63 2.11 3gizH1 MET 34 HG3 -0.17 -0.03 -0.13 -0.04 2.56 2.19 3gizH1 MET 34 HE3 0.02 -0.02 -0.18 -0.04 2.10 1.88 3gizH1 HIS 35 H -0.18 0.39 0.35 -0.55 8.41 8.42 3gizH1 HIS 35 HA 0.12 0.25 1.09 -0.75 4.63 5.34 3gizH1 HIS 35 HB2 -0.17 -0.04 -0.01 -0.04 3.26 3.01 3gizH1 HIS 35 HB3 0.17 0.04 -0.06 -0.04 3.20 3.31 3gizH1 HIS 35 HD2 -0.18 0.12 -0.35 -0.04 6.97 6.52 3gizH1 HIS 35 HE1 -0.00 -0.03 -0.15 -0.04 7.75 7.52 3gizH1 TRP 36 H 0.34 0.44 0.29 -0.55 7.97 8.49 3gizH1 TRP 36 HA 0.14 0.38 0.88 -0.75 4.62 5.27 3gizH1 TRP 36 HB2 0.08 -0.11 0.15 -0.04 3.23 3.31 3gizH1 TRP 36 HB3 0.18 0.04 -0.03 -0.04 3.23 3.38 3gizH1 TRP 36 HD1 0.08 -0.05 -0.16 -0.04 7.22 7.04 3gizH1 TRP 36 HE1 0.07 0.17 -0.46 -0.04 10.20 9.93 3gizH1 TRP 36 HE3 0.23 0.11 -0.34 -0.04 7.59 7.55 3gizH1 TRP 36 HZ2 0.03 0.09 -0.54 -0.04 7.44 6.97 3gizH1 TRP 36 HZ3 0.13 0.02 -0.34 -0.04 7.13 6.90 3gizH1 TRP 36 HH2 0.05 0.10 -0.39 -0.04 7.19 6.91 3gizH1 VAL 37 H 0.41 0.79 0.25 -0.55 8.24 9.14 3gizH1 VAL 37 HA 0.26 0.04 0.96 -0.75 4.13 4.64 3gizH1 VAL 37 HB 0.41 -0.00 -0.04 -0.04 2.12 2.45 3gizH1 VAL 37 HG13 0.43 0.01 -0.27 -0.04 0.97 1.10 3gizH1 VAL 37 HG23 0.20 -0.03 -0.25 -0.04 0.95 0.83 3gizH1 ARG 38 H 0.12 0.75 0.35 -0.55 8.46 9.12 3gizH1 ARG 38 HA -0.06 0.31 1.17 -0.75 4.34 5.01 3gizH1 ARG 38 HB2 -0.86 0.05 -0.07 -0.04 1.90 0.98 3gizH1 ARG 38 HB3 -0.73 -0.09 -0.12 -0.04 1.80 0.82 3gizH1 ARG 38 HG2 -0.05 0.07 0.01 -0.04 1.67 1.65 3gizH1 ARG 38 HG3 -0.10 -0.01 -0.26 -0.04 1.67 1.25 3gizH1 ARG 38 HD2 -0.26 0.12 -0.18 -0.04 3.22 2.86 3gizH1 ARG 38 HD3 -0.07 -0.07 -0.12 -0.04 3.22 2.92 3gizH1 GLN 39 H -0.07 0.51 0.22 -0.55 8.47 8.59 3gizH1 GLN 39 HA 0.06 0.22 0.73 -0.75 4.36 4.61 3gizH1 GLN 39 HB2 0.21 -0.06 -0.26 -0.04 2.15 1.99 3gizH1 GLN 39 HB3 0.15 -0.06 0.04 -0.04 2.02 2.11 3gizH1 GLN 39 HG2 0.07 0.02 -0.27 -0.04 2.40 2.17 3gizH1 GLN 39 HG3 0.07 0.18 -0.34 -0.04 2.39 2.26 3gizH1 GLN 39 HE21 -0.00 -0.09 -0.04 -0.04 6.97 6.80 3gizH1 GLN 39 HE22 0.03 0.24 0.05 -0.04 7.69 7.97 3gizH1 ALA 40 H 0.03 0.17 0.08 -0.55 8.40 8.14 3gizH1 ALA 40 HA 0.04 0.12 0.70 -0.75 4.34 4.44 3gizH1 ALA 40 HB3 0.04 0.02 0.09 -0.04 1.41 1.53 3gizH1 PRO 41 HA 0.04 0.01 0.42 -0.51 4.44 4.40 3gizH1 PRO 41 HB2 0.05 0.04 -0.01 -0.04 2.28 2.32 3gizH1 PRO 41 HB3 0.02 0.01 0.09 -0.04 2.02 2.11 3gizH1 PRO 41 HG2 0.07 0.04 0.09 -0.04 2.03 2.18 3gizH1 PRO 41 HG3 0.06 0.03 0.04 -0.04 2.03 2.12 3gizH1 PRO 41 HD2 0.06 0.16 0.20 -0.04 3.68 4.06 3gizH1 PRO 41 HD3 0.04 0.11 0.15 -0.04 3.65 3.90 3gizH1 GLY 42 H 0.04 0.10 0.18 -0.55 8.43 8.21 3gizH1 GLY 42 HA2 0.03 -0.02 0.37 -0.51 4.01 3.88 3gizH1 GLY 42 HA3 0.04 0.06 0.54 -0.51 4.01 4.14 3gizH1 LYS 43 H 0.04 0.67 -0.25 -0.55 8.42 8.33 3gizH1 LYS 43 HA 0.03 0.17 0.92 -0.75 4.32 4.68 3gizH1 LYS 43 HB2 0.04 0.01 0.05 -0.04 1.87 1.92 3gizH1 LYS 43 HB3 0.04 -0.15 0.14 -0.04 1.79 1.78 3gizH1 LYS 43 HG2 0.04 0.14 -0.40 -0.04 1.46 1.20 3gizH1 LYS 43 HG3 0.04 -0.04 -0.09 -0.04 1.46 1.33 3gizH1 LYS 43 HD2 0.03 -0.06 -0.02 -0.04 1.69 1.60 3gizH1 LYS 43 HD3 0.03 0.07 -0.10 -0.04 1.68 1.64 3gizH1 LYS 43 HE2 0.04 -0.00 -0.05 -0.04 2.99 2.93 3gizH1 LYS 43 HE3 0.03 -0.05 -0.03 -0.04 2.99 2.90 3gizH1 GLY 44 H 0.03 0.06 0.12 -0.55 8.43 8.10 3gizH1 GLY 44 HA2 0.02 0.13 0.65 -0.51 4.01 4.30 3gizH1 GLY 44 HA3 0.03 0.00 0.36 -0.51 4.01 3.90 3gizH1 LEU 45 H 0.04 0.07 0.15 -0.55 8.37 8.09 3gizH1 LEU 45 HA 0.12 0.25 0.61 -0.75 4.35 4.57 3gizH1 LEU 45 HB2 0.09 -0.05 0.07 -0.04 1.64 1.71 3gizH1 LEU 45 HB3 0.19 -0.01 -0.05 -0.04 1.64 1.73 3gizH1 LEU 45 HG 0.00 -0.03 -0.01 -0.04 1.64 1.56 3gizH1 LEU 45 HD13 -0.10 -0.00 -0.02 -0.04 0.93 0.77 3gizH1 LEU 45 HD23 0.02 0.02 -0.14 -0.04 0.89 0.75 3gizH1 GLU 46 H 0.14 0.80 0.34 -0.55 8.60 9.33 3gizH1 GLU 46 HA 0.16 0.08 0.86 -0.75 4.29 4.63 3gizH1 GLU 46 HB2 0.08 0.04 -0.11 -0.04 2.09 2.06 3gizH1 GLU 46 HB3 0.06 0.01 0.07 -0.04 1.99 2.09 3gizH1 GLU 46 HG2 0.09 0.10 -0.25 -0.04 2.34 2.24 3gizH1 GLU 46 HG3 0.11 -0.04 0.04 -0.04 2.34 2.41 3gizH1 TRP 47 H 0.36 0.14 0.10 -0.55 7.97 8.02 3gizH1 TRP 47 HA 0.12 0.06 0.67 -0.75 4.62 4.71 3gizH1 TRP 47 HB2 0.04 0.01 0.05 -0.04 3.23 3.29 3gizH1 TRP 47 HB3 0.05 -0.01 0.10 -0.04 3.23 3.33 3gizH1 TRP 47 HD1 0.04 0.02 -0.04 -0.04 7.22 7.19 3gizH1 TRP 47 HE1 0.22 0.10 -0.43 -0.04 10.20 10.05 3gizH1 TRP 47 HE3 0.05 -0.03 -0.13 -0.04 7.59 7.45 3gizH1 TRP 47 HZ2 0.04 -0.04 -0.32 -0.04 7.44 7.07 3gizH1 TRP 47 HZ3 0.05 0.06 -0.28 -0.04 7.13 6.92 3gizH1 TRP 47 HH2 0.04 -0.04 -0.33 -0.04 7.19 6.82 3gizH1 VAL 48 H -0.22 0.61 0.44 -0.55 8.24 8.53 3gizH1 VAL 48 HA -0.29 0.11 0.86 -0.75 4.13 4.06 3gizH1 VAL 48 HB 0.16 0.02 0.05 -0.04 2.12 2.31 3gizH1 VAL 48 HG13 0.24 -0.01 -0.15 -0.04 0.97 1.01 3gizH1 VAL 48 HG23 0.12 0.00 -0.15 -0.04 0.95 0.88 3gizH1 SER 49 H -0.37 0.41 0.38 -0.55 8.46 8.34 3gizH1 SER 49 HA -0.54 0.21 0.77 -0.75 4.49 4.16 3gizH1 SER 49 HB2 0.09 0.01 -0.33 -0.04 3.95 3.68 3gizH1 SER 49 HB3 0.22 -0.07 -0.04 -0.04 3.93 3.99 3gizH1 THR 50 H 0.08 0.57 0.38 -0.55 8.28 8.76 3gizH1 THR 50 HA 0.19 0.30 0.97 -0.75 4.39 5.10 3gizH1 THR 50 HB 0.33 -0.10 -0.01 -0.04 4.32 4.50 3gizH1 THR 50 HG23 -0.07 0.02 -0.14 -0.04 1.22 0.99 3gizH1 ILE 51 H -0.04 0.67 0.33 -0.55 8.25 8.66 3gizH1 ILE 51 HA -0.01 0.23 0.93 -0.75 4.18 4.58 3gizH1 ILE 51 HB 0.04 -0.01 -0.15 -0.04 1.89 1.74 3gizH1 ILE 51 HG12 -0.01 0.16 -0.05 -0.04 1.49 1.55 3gizH1 ILE 51 HG13 -0.00 0.06 0.07 -0.04 1.21 1.30 3gizH1 ILE 51 HG23 0.03 0.00 -0.06 -0.04 0.93 0.86 3gizH1 ILE 51 HD13 0.07 0.01 -0.14 -0.04 0.88 0.78 3gizH1 SER 52 H -0.04 0.49 0.24 -0.55 8.46 8.60 3gizH1 SER 52 HA 0.01 0.09 0.61 -0.75 4.49 4.44 3gizH1 SER 52 HB2 -0.05 -0.01 0.14 -0.04 3.95 4.00 3gizH1 SER 52 HB3 -0.01 0.09 0.12 -0.04 3.93 4.08 3gizH1 TRP 53 H 0.22 0.12 0.02 -0.55 7.97 7.79 3gizH1 TRP 53 HA -0.11 0.25 0.21 -0.75 4.62 4.21 3gizH1 TRP 53 HB2 -0.09 0.42 -0.08 -0.04 3.23 3.44 3gizH1 TRP 53 HB3 -0.09 -0.04 -0.33 -0.04 3.23 2.74 3gizH1 TRP 53 HD1 -0.07 -0.04 0.02 -0.04 7.22 7.09 3gizH1 TRP 53 HE1 -0.08 -0.02 0.01 -0.04 10.20 10.07 3gizH1 TRP 53 HE3 -0.03 0.08 -0.16 -0.04 7.59 7.44 3gizH1 TRP 53 HZ2 -0.05 -0.01 -0.00 -0.04 7.44 7.34 3gizH1 TRP 53 HZ3 -0.01 -0.03 -0.03 -0.04 7.13 7.01 3gizH1 TRP 53 HH2 -0.02 -0.01 -0.01 -0.04 7.19 7.11 3gizH1 ASN 54 H -1.06 -0.04 -0.25 -0.55 8.53 6.63 3gizH1 ASN 54 HA -0.60 0.24 0.64 -0.75 4.76 4.29 3gizH1 ASN 54 HB2 -0.77 0.05 0.14 -0.04 2.88 2.26 3gizH1 ASN 54 HB3 -2.69 0.05 0.04 -0.04 2.79 0.15 3gizH1 ASN 54 HD21 -0.40 0.00 -0.02 -0.04 7.03 6.57 3gizH1 ASN 54 HD22 -0.75 0.07 0.00 -0.04 7.74 7.01 3gizH1 SER 55 H -0.21 0.49 -0.40 -0.55 8.46 7.80 3gizH1 SER 55 HA -0.06 0.06 0.26 -0.75 4.49 4.00 3gizH1 SER 55 HB2 -0.08 0.22 -0.17 -0.04 3.95 3.88 3gizH1 SER 55 HB3 -0.02 -0.01 0.20 -0.04 3.93 4.05 3gizH1 GLY 56 H -0.23 -0.10 -0.42 -0.55 8.43 7.14 3gizH1 GLY 56 HA2 -0.08 0.20 0.51 -0.51 4.01 4.13 3gizH1 GLY 56 HA3 -0.14 -0.00 0.19 -0.51 4.01 3.55 3gizH1 SER 57 H -0.09 -0.05 -0.04 -0.55 8.46 7.74 3gizH1 SER 57 HA -0.01 0.23 0.83 -0.75 4.49 4.79 3gizH1 SER 57 HB2 -0.03 0.03 -0.07 -0.04 3.95 3.84 3gizH1 SER 57 HB3 -0.02 -0.13 0.07 -0.04 3.93 3.80 3gizH1 ILE 58 H 0.01 0.29 0.15 -0.55 8.25 8.16 3gizH1 ILE 58 HA -0.03 0.24 0.94 -0.75 4.18 4.57 3gizH1 ILE 58 HB 0.02 -0.02 0.02 -0.04 1.89 1.87 3gizH1 ILE 58 HG12 -0.02 0.02 0.10 -0.04 1.49 1.54 3gizH1 ILE 58 HG13 -0.01 -0.09 -0.63 -0.04 1.21 0.44 3gizH1 ILE 58 HG23 -0.34 0.01 -0.06 -0.04 0.93 0.49 3gizH1 ILE 58 HD13 0.06 0.01 -0.03 -0.04 0.88 0.88 3gizH1 GLY 59 H -0.05 0.56 0.36 -0.55 8.43 8.75 3gizH1 GLY 59 HA2 0.13 0.16 0.82 -0.51 4.01 4.61 3gizH1 GLY 59 HA3 0.31 -0.01 0.31 -0.51 4.01 4.12 3gizH1 TYR 60 H 0.28 0.25 0.19 -0.55 8.29 8.46 3gizH1 TYR 60 HA -0.31 0.22 0.94 -0.75 4.56 4.65 3gizH1 TYR 60 HB2 0.01 -0.05 0.07 -0.04 3.06 3.05 3gizH1 TYR 60 HB3 -0.10 0.09 0.05 -0.04 2.98 2.98 3gizH1 TYR 60 HD2 0.01 0.01 -0.04 -0.04 7.15 7.09 3gizH1 TYR 60 HE2 0.07 -0.07 -0.10 -0.04 6.85 6.71 3gizH1 ALA 61 H -0.49 0.70 0.27 -0.55 8.40 8.32 3gizH1 ALA 61 HA 0.13 0.05 0.59 -0.75 4.34 4.37 3gizH1 ALA 61 HB3 -0.19 0.04 0.19 -0.04 1.41 1.41 3gizH1 ASP 62 H 0.08 0.16 0.20 -0.55 8.40 8.29 3gizH1 ASP 62 HA 0.03 0.14 0.38 -0.75 4.63 4.43 3gizH1 ASP 62 HB2 0.07 -0.01 0.19 -0.04 2.71 2.92 3gizH1 ASP 62 HB3 0.02 0.05 0.02 -0.04 2.70 2.75 3gizH1 SER 63 H -0.04 0.08 -0.08 -0.55 8.46 7.88 3gizH1 SER 63 HA -0.07 0.13 0.40 -0.75 4.49 4.20 3gizH1 SER 63 HB2 -0.08 0.06 0.07 -0.04 3.95 3.96 3gizH1 SER 63 HB3 -0.03 -0.01 0.07 -0.04 3.93 3.92 3gizH1 VAL 64 H -0.15 0.12 -0.76 -0.55 8.24 6.90 3gizH1 VAL 64 HA -0.68 0.19 0.51 -0.75 4.13 3.39 3gizH1 VAL 64 HB -0.22 -0.05 -0.03 -0.04 2.12 1.77 3gizH1 VAL 64 HG13 -0.12 0.00 -0.08 -0.04 0.97 0.73 3gizH1 VAL 64 HG23 -0.62 -0.00 -0.14 -0.04 0.95 0.14 3gizH1 LYS 65 H -0.14 0.11 -0.03 -0.55 8.42 7.80 3gizH1 LYS 65 HA -0.32 -0.01 0.37 -0.75 4.32 3.61 3gizH1 LYS 65 HB2 -0.08 -0.04 0.08 -0.04 1.87 1.79 3gizH1 LYS 65 HB3 -0.03 0.08 0.11 -0.04 1.79 1.91 3gizH1 LYS 65 HG2 -0.06 0.26 0.15 -0.04 1.46 1.77 3gizH1 LYS 65 HG3 -0.07 -0.01 -0.07 -0.04 1.46 1.27 3gizH1 LYS 65 HD2 0.00 -0.04 0.01 -0.04 1.69 1.62 3gizH1 LYS 65 HD3 0.01 -0.03 0.06 -0.04 1.68 1.68 3gizH1 LYS 65 HE2 -0.02 0.05 0.03 -0.04 2.99 3.01 3gizH1 LYS 65 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.89 3gizH1 GLY 66 H -0.28 0.14 0.19 -0.55 8.43 7.93 3gizH1 GLY 66 HA2 -0.11 -0.01 0.35 -0.51 4.01 3.73 3gizH1 GLY 66 HA3 -0.08 0.10 0.46 -0.51 4.01 3.97 3gizH1 ARG 67 H -0.15 0.27 -0.34 -0.55 8.46 7.69 3gizH1 ARG 67 HA 0.02 0.13 0.88 -0.75 4.34 4.61 3gizH1 ARG 67 HB2 -0.16 0.08 0.02 -0.04 1.90 1.80 3gizH1 ARG 67 HB3 0.15 0.19 0.02 -0.04 1.80 2.12 3gizH1 ARG 67 HG2 -0.01 -0.05 -0.13 -0.04 1.67 1.43 3gizH1 ARG 67 HG3 -0.08 0.04 -0.23 -0.04 1.67 1.37 3gizH1 ARG 67 HD2 0.01 0.27 0.05 -0.04 3.22 3.51 3gizH1 ARG 67 HD3 -0.04 -0.11 -0.02 -0.04 3.22 3.01 3gizH1 PHE 68 H -0.02 0.28 0.22 -0.55 8.34 8.27 3gizH1 PHE 68 HA -0.09 0.38 1.03 -0.75 4.62 5.19 3gizH1 PHE 68 HB2 -0.08 -0.02 0.07 -0.04 3.15 3.08 3gizH1 PHE 68 HB3 -0.02 -0.05 -0.09 -0.04 3.06 2.86 3gizH1 PHE 68 HD2 -0.05 -0.08 -0.44 -0.04 7.28 6.68 3gizH1 PHE 68 HE2 0.04 0.06 -0.13 -0.04 7.38 7.31 3gizH1 PHE 68 HZ 0.00 -0.01 -0.08 -0.04 7.32 7.19 3gizH1 THR 69 H 0.03 0.68 0.27 -0.55 8.28 8.71 3gizH1 THR 69 HA 0.21 0.11 0.85 -0.75 4.39 4.81 3gizH1 THR 69 HB 0.04 -0.08 0.10 -0.04 4.32 4.34 3gizH1 THR 69 HG23 0.11 0.01 -0.15 -0.04 1.22 1.15 3gizH1 ILE 70 H 0.43 0.14 0.10 -0.55 8.25 8.37 3gizH1 ILE 70 HA 0.24 0.29 0.87 -0.75 4.18 4.82 3gizH1 ILE 70 HB 0.23 -0.05 0.02 -0.04 1.89 2.04 3gizH1 ILE 70 HG12 0.23 -0.00 -0.11 -0.04 1.49 1.57 3gizH1 ILE 70 HG13 0.52 0.19 0.08 -0.04 1.21 1.95 3gizH1 ILE 70 HG23 0.00 0.01 -0.08 -0.04 0.93 0.82 3gizH1 ILE 70 HD13 0.23 -0.05 -0.34 -0.04 0.88 0.68 3gizH1 SER 71 H 0.29 0.51 0.30 -0.55 8.46 9.02 3gizH1 SER 71 HA 0.16 0.10 0.42 -0.75 4.49 4.41 3gizH1 SER 71 HB2 0.17 0.02 0.11 -0.04 3.95 4.20 3gizH1 SER 71 HB3 0.15 0.11 -0.16 -0.04 3.93 3.98 3gizH1 ARG 72 H 0.17 0.27 0.20 -0.55 8.46 8.56 3gizH1 ARG 72 HA 0.13 0.18 0.82 -0.75 4.34 4.72 3gizH1 ARG 72 HB2 0.36 0.08 0.06 -0.04 1.90 2.35 3gizH1 ARG 72 HB3 0.18 -0.01 -0.08 -0.04 1.80 1.85 3gizH1 ARG 72 HG2 0.11 -0.08 -0.01 -0.04 1.67 1.65 3gizH1 ARG 72 HG3 0.17 -0.07 -0.19 -0.04 1.67 1.54 3gizH1 ARG 72 HD2 0.04 -0.06 -0.13 -0.04 3.22 3.03 3gizH1 ARG 72 HD3 0.02 0.09 -0.10 -0.04 3.22 3.19 3gizH1 ASP 73 H 0.10 0.83 0.21 -0.55 8.40 8.98 3gizH1 ASP 73 HA 0.15 0.15 0.82 -0.75 4.63 4.99 3gizH1 ASP 73 HB2 0.33 0.08 -0.08 -0.04 2.71 3.00 3gizH1 ASP 73 HB3 0.13 -0.04 0.17 -0.04 2.70 2.92 3gizH1 ASN 74 H 0.17 0.27 0.07 -0.55 8.53 8.49 3gizH1 ASN 74 HA 0.38 0.10 0.39 -0.75 4.76 4.88 3gizH1 ASN 74 HB2 0.17 0.00 0.14 -0.04 2.88 3.16 3gizH1 ASN 74 HB3 0.21 0.00 0.02 -0.04 2.79 2.97 3gizH1 ASN 74 HD21 0.29 0.49 0.15 -0.04 7.03 7.92 3gizH1 ASN 74 HD22 0.29 -0.08 0.06 -0.04 7.74 7.96 3gizH1 ALA 75 H 0.08 0.08 -0.08 -0.55 8.40 7.93 3gizH1 ALA 75 HA 0.03 0.12 0.51 -0.75 4.34 4.25 3gizH1 ALA 75 HB3 0.04 0.01 0.06 -0.04 1.41 1.48 3gizH1 LYS 76 H 0.00 0.03 -0.25 -0.55 8.42 7.65 3gizH1 LYS 76 HA -0.04 0.19 0.75 -0.75 4.32 4.46 3gizH1 LYS 76 HB2 0.02 -0.03 0.05 -0.04 1.87 1.87 3gizH1 LYS 76 HB3 -0.02 0.03 0.08 -0.04 1.79 1.84 3gizH1 LYS 76 HG2 0.01 0.06 -0.00 -0.04 1.46 1.48 3gizH1 LYS 76 HG3 0.03 -0.09 -0.06 -0.04 1.46 1.30 3gizH1 LYS 76 HD2 0.11 -0.03 -0.03 -0.04 1.69 1.70 3gizH1 LYS 76 HD3 0.06 0.03 -0.02 -0.04 1.68 1.71 3gizH1 LYS 76 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 3gizH1 LYS 76 HE3 0.02 0.02 -0.03 -0.04 2.99 2.96 3gizH1 LYS 77 H -0.15 0.07 -0.55 -0.55 8.42 7.24 3gizH1 LYS 77 HA -0.92 -0.04 0.35 -0.75 4.32 2.95 3gizH1 LYS 77 HB2 -0.32 0.24 0.15 -0.04 1.87 1.90 3gizH1 LYS 77 HB3 -0.60 -0.12 0.26 -0.04 1.79 1.29 3gizH1 LYS 77 HG2 -0.09 -0.02 0.13 -0.04 1.46 1.44 3gizH1 LYS 77 HG3 -0.13 0.06 -0.11 -0.04 1.46 1.23 3gizH1 LYS 77 HD2 -0.17 0.10 0.05 -0.04 1.69 1.63 3gizH1 LYS 77 HD3 -0.25 -0.08 0.04 -0.04 1.68 1.35 3gizH1 LYS 77 HE2 -0.11 -0.01 0.08 -0.04 2.99 2.91 3gizH1 LYS 77 HE3 -0.06 -0.16 0.13 -0.04 2.99 2.86 3gizH1 SER 78 H -0.44 0.41 0.02 -0.55 8.46 7.91 3gizH1 SER 78 HA -0.47 0.37 1.12 -0.75 4.49 4.75 3gizH1 SER 78 HB2 -0.17 -0.12 -0.05 -0.04 3.95 3.57 3gizH1 SER 78 HB3 -0.53 -0.02 -0.09 -0.04 3.93 3.25 3gizH1 LEU 79 H -0.31 0.54 0.34 -0.55 8.37 8.40 3gizH1 LEU 79 HA -0.03 0.16 0.99 -0.75 4.35 4.72 3gizH1 LEU 79 HB2 0.18 0.00 -0.06 -0.04 1.64 1.72 3gizH1 LEU 79 HB3 -0.11 -0.01 0.11 -0.04 1.64 1.59 3gizH1 LEU 79 HG 0.24 0.08 -0.21 -0.04 1.64 1.71 3gizH1 LEU 79 HD13 0.10 0.03 -0.08 -0.04 0.93 0.94 3gizH1 LEU 79 HD23 -0.66 -0.04 -0.17 -0.04 0.89 -0.02 3gizH1 TYR 80 H 0.24 0.84 0.40 -0.55 8.29 9.22 3gizH1 TYR 80 HA 0.34 0.32 1.05 -0.75 4.56 5.51 3gizH1 TYR 80 HB2 0.11 -0.07 -0.06 -0.04 3.06 3.01 3gizH1 TYR 80 HB3 0.07 0.05 0.02 -0.04 2.98 3.07 3gizH1 TYR 80 HD2 0.09 0.04 -0.22 -0.04 7.15 7.02 3gizH1 TYR 80 HE2 0.04 -0.02 -0.20 -0.04 6.85 6.63 3gizH1 LEU 81 H 0.02 0.60 0.23 -0.55 8.37 8.67 3gizH1 LEU 81 HA -0.08 0.27 0.66 -0.75 4.35 4.44 3gizH1 LEU 81 HB2 -1.58 -0.01 -0.14 -0.04 1.64 -0.13 3gizH1 LEU 81 HB3 -1.02 -0.07 0.08 -0.04 1.64 0.59 3gizH1 LEU 81 HG -0.53 0.08 -0.36 -0.04 1.64 0.79 3gizH1 LEU 81 HD13 -0.05 0.00 -0.20 -0.04 0.93 0.64 3gizH1 LEU 81 HD23 -0.64 -0.01 -0.15 -0.04 0.89 0.05 3gizH1 GLN 82 H -0.05 0.58 0.20 -0.55 8.47 8.65 3gizH1 GLN 82 HA -0.17 0.12 0.91 -0.75 4.36 4.46 3gizH1 GLN 82 HB2 -0.05 -0.02 0.08 -0.04 2.15 2.11 3gizH1 GLN 82 HB3 -0.04 -0.04 0.18 -0.04 2.02 2.08 3gizH1 GLN 82 HG2 -0.05 -0.02 -0.07 -0.04 2.40 2.22 3gizH1 GLN 82 HG3 -0.08 0.05 -0.26 -0.04 2.39 2.06 3gizH1 GLN 82 HE21 -0.09 -0.06 -0.20 -0.04 6.97 6.58 3gizH1 GLN 82 HE22 -0.10 0.06 -0.23 -0.04 7.69 7.38 3gizH1 MET 83 H -0.31 0.75 0.34 -0.55 8.47 8.71 3gizH1 MET 83 HA -0.70 0.12 0.87 -0.75 4.52 4.06 3gizH1 MET 83 HB2 -0.48 -0.02 0.19 -0.04 2.15 1.79 3gizH1 MET 83 HB3 -0.86 0.02 -0.05 -0.04 2.03 1.09 3gizH1 MET 83 HG2 -1.57 -0.03 -0.24 -0.04 2.63 0.75 3gizH1 MET 83 HG3 -0.74 0.10 -0.20 -0.04 2.56 1.68 3gizH1 MET 83 HE3 -0.54 0.01 -0.16 -0.04 2.10 1.37 3gizH1 ASN 84 H 0.08 0.64 0.16 -0.55 8.53 8.86 3gizH1 ASN 84 HA -0.03 0.09 0.92 -0.75 4.76 4.98 3gizH1 ASN 84 HB2 0.02 0.20 0.11 -0.04 2.88 3.18 3gizH1 ASN 84 HB3 0.00 -0.06 0.04 -0.04 2.79 2.73 3gizH1 ASN 84 HD21 -0.03 -0.07 -0.11 -0.04 7.03 6.77 3gizH1 ASN 84 HD22 -0.01 0.07 -0.08 -0.04 7.74 7.68 3gizH1 SER 85 H 0.01 0.13 -0.01 -0.55 8.46 8.04 3gizH1 SER 85 HA 0.02 0.09 0.24 -0.75 4.49 4.08 3gizH1 SER 85 HB2 0.01 -0.04 0.13 -0.04 3.95 4.01 3gizH1 SER 85 HB3 0.01 -0.00 0.08 -0.04 3.93 3.98 3gizH1 LEU 86 H 0.03 0.51 -0.16 -0.55 8.37 8.20 3gizH1 LEU 86 HA 0.13 0.11 0.28 -0.75 4.35 4.11 3gizH1 LEU 86 HB2 0.01 0.08 -0.09 -0.04 1.64 1.61 3gizH1 LEU 86 HB3 0.05 -0.02 -0.20 -0.04 1.64 1.43 3gizH1 LEU 86 HG -0.01 0.05 -0.33 -0.04 1.64 1.31 3gizH1 LEU 86 HD13 -0.10 -0.01 -0.30 -0.04 0.93 0.48 3gizH1 LEU 86 HD23 0.06 -0.00 -0.16 -0.04 0.89 0.74 3gizH1 ARG 87 H 0.09 0.19 0.13 -0.55 8.46 8.32 3gizH1 ARG 87 HA 0.04 0.16 0.89 -0.75 4.34 4.67 3gizH1 ARG 87 HB2 0.03 0.09 0.05 -0.04 1.90 2.03 3gizH1 ARG 87 HB3 0.03 -0.17 0.00 -0.04 1.80 1.62 3gizH1 ARG 87 HG2 0.01 -0.03 0.02 -0.04 1.67 1.63 3gizH1 ARG 87 HG3 0.02 0.05 -0.01 -0.04 1.67 1.69 3gizH1 ARG 87 HD2 0.00 -0.00 -0.04 -0.04 3.22 3.14 3gizH1 ARG 87 HD3 0.01 0.21 -0.09 -0.04 3.22 3.32 3gizH1 ALA 88 H 0.04 0.17 0.14 -0.55 8.40 8.20 3gizH1 ALA 88 HA 0.07 0.34 0.52 -0.75 4.34 4.52 3gizH1 ALA 88 HB3 0.05 -0.00 0.17 -0.04 1.41 1.58 3gizH1 GLU 89 H 0.05 0.05 -0.22 -0.55 8.60 7.93 3gizH1 GLU 89 HA 0.06 0.17 0.46 -0.75 4.29 4.23 3gizH1 GLU 89 HB2 0.04 0.04 0.15 -0.04 2.09 2.27 3gizH1 GLU 89 HB3 0.03 -0.03 0.08 -0.04 1.99 2.03 3gizH1 GLU 89 HG2 0.03 0.05 -0.23 -0.04 2.34 2.15 3gizH1 GLU 89 HG3 0.02 0.01 -0.02 -0.04 2.34 2.31 3gizH1 ASP 90 H 0.10 0.52 -0.52 -0.55 8.40 7.95 3gizH1 ASP 90 HA 0.17 0.12 0.70 -0.75 4.63 4.86 3gizH1 ASP 90 HB2 0.16 0.13 0.01 -0.04 2.71 2.96 3gizH1 ASP 90 HB3 0.32 -0.03 0.01 -0.04 2.70 2.96 3gizH1 THR 91 H 0.12 0.39 -0.04 -0.55 8.28 8.20 3gizH1 THR 91 HA 0.15 0.14 0.55 -0.75 4.39 4.47 3gizH1 THR 91 HB 0.10 0.03 0.26 -0.04 4.32 4.67 3gizH1 THR 91 HG23 0.10 0.00 0.04 -0.04 1.22 1.32 3gizH1 ALA 92 H 0.22 0.46 0.43 -0.55 8.40 8.95 3gizH1 ALA 92 HA 0.05 0.04 0.37 -0.75 4.34 4.04 3gizH1 ALA 92 HB3 -0.15 0.00 -0.26 -0.04 1.41 0.96 3gizH1 LEU 93 H -0.00 0.67 0.25 -0.55 8.37 8.75 3gizH1 LEU 93 HA 0.04 0.10 0.75 -0.75 4.35 4.48 3gizH1 LEU 93 HB2 -0.03 0.08 0.17 -0.04 1.64 1.82 3gizH1 LEU 93 HB3 -0.17 -0.05 0.03 -0.04 1.64 1.41 3gizH1 LEU 93 HG -0.05 -0.02 -0.05 -0.04 1.64 1.48 3gizH1 LEU 93 HD13 -0.32 0.02 -0.07 -0.04 0.93 0.52 3gizH1 LEU 93 HD23 -0.12 0.01 -0.29 -0.04 0.89 0.45 3gizH1 TYR 94 H 0.23 0.74 0.27 -0.55 8.29 8.98 3gizH1 TYR 94 HA 0.18 0.17 0.95 -0.75 4.56 5.11 3gizH1 TYR 94 HB2 0.05 0.05 0.14 -0.04 3.06 3.26 3gizH1 TYR 94 HB3 0.21 -0.03 -0.10 -0.04 2.98 3.01 3gizH1 TYR 94 HD2 0.00 0.03 -0.17 -0.04 7.15 6.97 3gizH1 TYR 94 HE2 0.09 0.06 -0.06 -0.04 6.85 6.89 3gizH1 TYR 95 H 0.45 0.97 0.38 -0.55 8.29 9.54 3gizH1 TYR 95 HA 0.30 0.01 0.87 -0.75 4.56 4.99 3gizH1 TYR 95 HB2 0.44 0.04 0.07 -0.04 3.06 3.57 3gizH1 TYR 95 HB3 0.41 0.04 -0.12 -0.04 2.98 3.27 3gizH1 TYR 95 HD2 0.31 -0.02 -0.25 -0.04 7.15 7.15 3gizH1 TYR 95 HE2 0.08 0.07 -0.19 -0.04 6.85 6.77 3gizH1 CYS 96 H 0.04 0.05 0.16 -0.55 8.50 8.21 3gizH1 CYS 96 HA -0.51 0.41 1.00 -0.75 4.58 4.72 3gizH1 CYS 96 HB2 -0.68 0.06 0.08 -0.04 2.97 2.39 3gizH1 CYS 96 HB3 -1.72 0.01 0.03 -0.04 2.97 1.25 3gizH1 ALA 97 H -0.32 0.50 0.26 -0.55 8.40 8.30 3gizH1 ALA 97 HA -0.44 0.28 0.90 -0.75 4.34 4.32 3gizH1 ALA 97 HB3 -1.33 -0.01 -0.15 -0.04 1.41 -0.12 3gizH1 LYS 98 H -0.33 0.58 0.26 -0.55 8.42 8.38 3gizH1 LYS 98 HA -0.13 0.21 0.82 -0.75 4.32 4.47 3gizH1 LYS 98 HB2 -0.23 0.00 0.01 -0.04 1.87 1.60 3gizH1 LYS 98 HB3 -0.40 -0.09 0.14 -0.04 1.79 1.40 3gizH1 LYS 98 HG2 -0.38 0.27 -0.24 -0.04 1.46 1.06 3gizH1 LYS 98 HG3 -0.32 0.01 -0.04 -0.04 1.46 1.08 3gizH1 LYS 98 HD2 -1.62 -0.02 -0.12 -0.04 1.69 -0.11 3gizH1 LYS 98 HD3 -0.67 -0.12 -0.12 -0.04 1.68 0.73 3gizH1 LYS 98 HE2 -1.96 0.09 -0.08 -0.04 2.99 0.99 3gizH1 LYS 98 HE3 -1.00 -0.05 -0.10 -0.04 2.99 1.79 3gizH1 ASP 99 H -0.03 0.60 0.29 -0.55 8.40 8.71 3gizH1 ASP 99 HA 0.04 0.28 1.04 -0.75 4.63 5.25 3gizH1 ASP 99 HB2 0.21 0.05 0.05 -0.04 2.71 2.98 3gizH1 ASP 99 HB3 0.16 -0.02 0.10 -0.04 2.70 2.90 3gizH1 ILE 100 H 0.04 0.49 0.31 -0.55 8.25 8.54 3gizH1 ILE 100 HA -0.02 0.14 0.62 -0.75 4.18 4.17 3gizH1 ILE 100 HB 0.04 0.00 0.00 -0.04 1.89 1.89 3gizH1 ILE 100 HG12 0.06 -0.02 -0.06 -0.04 1.49 1.43 3gizH1 ILE 100 HG13 0.08 0.15 -0.48 -0.04 1.21 0.92 3gizH1 ILE 100 HG23 -0.04 0.02 -0.06 -0.04 0.93 0.81 3gizH1 ILE 100 HD13 0.02 -0.02 -0.31 -0.04 0.88 0.53 3gizH1 GLN 101 H 0.13 -0.08 -0.06 -0.55 8.47 7.92 3gizH1 GLN 101 HA 0.02 0.05 0.43 -0.75 4.36 4.11 3gizH1 GLN 101 HB2 0.03 0.03 0.17 -0.04 2.15 2.34 3gizH1 GLN 101 HB3 0.13 -0.10 0.12 -0.04 2.02 2.12 3gizH1 GLN 101 HG2 -0.07 -0.15 -0.08 -0.04 2.40 2.06 3gizH1 GLN 101 HG3 -0.39 0.07 -0.06 -0.04 2.39 1.97 3gizH1 GLN 101 HE21 0.23 -0.06 -0.02 -0.04 6.97 7.08 3gizH1 GLN 101 HE22 0.02 0.26 0.06 -0.04 7.69 7.99 3gizH1 TYR 102 H 0.04 0.07 0.10 -0.55 8.29 7.96 3gizH1 TYR 102 HA -0.09 0.12 0.69 -0.75 4.56 4.54 3gizH1 TYR 102 HB2 -0.00 0.16 -0.13 -0.04 3.06 3.05 3gizH1 TYR 102 HB3 -0.02 -0.02 0.14 -0.04 2.98 3.04 3gizH1 TYR 102 HD2 -0.26 0.10 0.08 -0.04 7.15 7.03 3gizH1 TYR 102 HE2 -0.27 -0.02 0.02 -0.04 6.85 6.54 3gizH1 GLY 103 H -0.26 0.17 0.10 -0.55 8.43 7.89 3gizH1 GLY 103 HA2 -0.26 0.01 0.34 -0.51 4.01 3.59 3gizH1 GLY 103 HA3 -0.40 0.09 0.46 -0.51 4.01 3.65 3gizH1 ASN 104 H -0.24 0.03 -0.25 -0.55 8.53 7.52 3gizH1 ASN 104 HA -0.54 0.21 0.66 -0.75 4.76 4.34 3gizH1 ASN 104 HB2 -0.52 -0.15 0.15 -0.04 2.88 2.32 3gizH1 ASN 104 HB3 -0.33 0.18 -0.08 -0.04 2.79 2.53 3gizH1 ASN 104 HD21 0.05 0.06 0.01 -0.04 7.03 7.11 3gizH1 ASN 104 HD22 -0.22 0.05 -0.02 -0.04 7.74 7.51 3gizH1 TYR 105 H -0.39 0.19 0.07 -0.55 8.29 7.60 3gizH1 TYR 105 HA -0.50 0.24 0.85 -0.75 4.56 4.39 3gizH1 TYR 105 HB2 -0.06 0.02 0.09 -0.04 3.06 3.07 3gizH1 TYR 105 HB3 0.10 0.02 0.16 -0.04 2.98 3.22 3gizH1 TYR 105 HD2 0.03 0.03 -0.04 -0.04 7.15 7.13 3gizH1 TYR 105 HE2 0.01 0.01 -0.06 -0.04 6.85 6.77 3gizH1 TYR 106 H -0.23 0.04 -0.23 -0.55 8.29 7.31 3gizH1 TYR 106 HA -0.07 0.14 0.70 -0.75 4.56 4.57 3gizH1 TYR 106 HB2 -0.09 -0.04 0.04 -0.04 3.06 2.93 3gizH1 TYR 106 HB3 -0.04 0.05 -0.12 -0.04 2.98 2.83 3gizH1 TYR 106 HD2 -0.01 0.06 -0.06 -0.04 7.15 7.09 3gizH1 TYR 106 HE2 0.00 0.03 -0.03 -0.04 6.85 6.81 3gizH1 TYR 107 H 0.18 0.27 0.13 -0.55 8.29 8.32 3gizH1 TYR 107 HA 0.10 0.09 0.95 -0.75 4.56 4.94 3gizH1 TYR 107 HB2 0.04 0.04 0.04 -0.04 3.06 3.14 3gizH1 TYR 107 HB3 0.02 -0.02 -0.07 -0.04 2.98 2.88 3gizH1 TYR 107 HD2 0.09 0.01 -0.06 -0.04 7.15 7.14 3gizH1 TYR 107 HE2 0.10 -0.00 -0.04 -0.04 6.85 6.86 3gizH1 GLY 108 H 0.16 0.16 0.12 -0.55 8.43 8.32 3gizH1 GLY 108 HA2 0.07 0.09 0.49 -0.51 4.01 4.14 3gizH1 GLY 108 HA3 0.05 0.11 0.17 -0.51 4.01 3.83 3gizH1 MET 109 H 0.08 0.23 0.03 -0.55 8.47 8.26 3gizH1 MET 109 HA -0.10 0.35 0.84 -0.75 4.52 4.85 3gizH1 MET 109 HB2 0.13 0.01 0.09 -0.04 2.15 2.34 3gizH1 MET 109 HB3 -0.69 0.05 -0.10 -0.04 2.03 1.25 3gizH1 MET 109 HG2 -0.36 0.04 -0.27 -0.04 2.63 2.00 3gizH1 MET 109 HG3 -0.15 -0.13 -0.18 -0.04 2.56 2.06 3gizH1 MET 109 HE3 -0.61 -0.01 -0.14 -0.04 2.10 1.30 3gizH1 ASP 110 H -0.09 0.33 0.10 -0.55 8.40 8.20 3gizH1 ASP 110 HA 0.10 0.14 0.57 -0.75 4.63 4.70 3gizH1 ASP 110 HB2 -0.04 0.02 0.01 -0.04 2.71 2.65 3gizH1 ASP 110 HB3 -0.03 -0.06 -0.10 -0.04 2.70 2.47 3gizH1 VAL 111 H -0.19 0.21 0.07 -0.55 8.24 7.78 3gizH1 VAL 111 HA 0.04 0.23 0.92 -0.75 4.13 4.57 3gizH1 VAL 111 HB -0.37 -0.10 0.04 -0.04 2.12 1.64 3gizH1 VAL 111 HG13 -0.11 0.02 -0.20 -0.04 0.97 0.65 3gizH1 VAL 111 HG23 -0.29 0.01 -0.19 -0.04 0.95 0.44 3gizH1 TRP 112 H 0.25 0.29 0.16 -0.55 7.97 8.13 3gizH1 TRP 112 HA -0.03 0.20 0.97 -0.75 4.62 5.01 3gizH1 TRP 112 HB2 -0.09 0.02 0.03 -0.04 3.23 3.15 3gizH1 TRP 112 HB3 -0.14 0.08 0.05 -0.04 3.23 3.18 3gizH1 TRP 112 HD1 -0.10 -0.02 -0.54 -0.04 7.22 6.52 3gizH1 TRP 112 HE1 -0.09 0.44 -0.07 -0.04 10.20 10.44 3gizH1 TRP 112 HE3 -0.57 0.03 -0.12 -0.04 7.59 6.89 3gizH1 TRP 112 HZ2 -0.09 -0.04 -0.07 -0.04 7.44 7.20 3gizH1 TRP 112 HZ3 -0.13 -0.01 -0.16 -0.04 7.13 6.79 3gizH1 TRP 112 HH2 -0.05 -0.05 -0.13 -0.04 7.19 6.92 3gizH1 GLY 113 H 0.28 0.31 0.23 -0.55 8.43 8.71 3gizH1 GLY 113 HA2 0.16 0.31 0.85 -0.51 4.01 4.82 3gizH1 GLY 113 HA3 0.20 -0.17 0.41 -0.51 4.01 3.93 3gizH1 GLN 114 H 0.16 0.07 0.28 -0.55 8.47 8.43 3gizH1 GLN 114 HA 0.23 0.17 0.69 -0.75 4.36 4.70 3gizH1 GLN 114 HB2 0.10 -0.01 0.16 -0.04 2.15 2.36 3gizH1 GLN 114 HB3 0.08 0.09 0.10 -0.04 2.02 2.25 3gizH1 GLN 114 HG2 0.07 0.01 0.06 -0.04 2.40 2.50 3gizH1 GLN 114 HG3 0.10 0.01 0.11 -0.04 2.39 2.57 3gizH1 GLN 114 HE21 0.04 -0.01 0.02 -0.04 6.97 6.98 3gizH1 GLN 114 HE22 0.06 0.01 0.03 -0.04 7.69 7.74 3gizH1 GLY 115 H 0.14 -0.18 0.08 -0.55 8.43 7.93 3gizH1 GLY 115 HA2 -0.02 0.17 0.34 -0.51 4.01 3.99 3gizH1 GLY 115 HA3 -0.32 0.17 0.52 -0.51 4.01 3.88 3gizH1 THR 116 H 0.12 0.55 0.29 -0.55 8.28 8.69 3gizH1 THR 116 HA 0.04 0.20 0.80 -0.75 4.39 4.67 3gizH1 THR 116 HB 0.10 0.03 -0.27 -0.04 4.32 4.14 3gizH1 THR 116 HG23 0.09 0.05 -0.09 -0.04 1.22 1.23 3gizH1 THR 117 H 0.01 0.18 0.10 -0.55 8.28 8.03 3gizH1 THR 117 HA 0.09 0.24 1.16 -0.75 4.39 5.11 3gizH1 THR 117 HB 0.02 0.03 -0.05 -0.04 4.32 4.29 3gizH1 THR 117 HG23 -0.01 -0.00 -0.06 -0.04 1.22 1.11 3gizH1 VAL 118 H 0.15 0.82 0.42 -0.55 8.24 9.09 3gizH1 VAL 118 HA -0.03 0.07 0.96 -0.75 4.13 4.38 3gizH1 VAL 118 HB 0.15 0.07 0.21 -0.04 2.12 2.50 3gizH1 VAL 118 HG13 -0.09 -0.01 -0.22 -0.04 0.97 0.61 3gizH1 VAL 118 HG23 -0.38 -0.01 -0.14 -0.04 0.95 0.38 3gizH1 THR 119 H 0.00 0.70 0.26 -0.55 8.28 8.69 3gizH1 THR 119 HA 0.07 0.12 1.02 -0.75 4.39 4.84 3gizH1 THR 119 HB 0.00 -0.04 0.12 -0.04 4.32 4.37 3gizH1 THR 119 HG23 0.03 -0.00 -0.08 -0.04 1.22 1.12 3gizH1 VAL 120 H 0.10 0.19 0.08 -0.55 8.24 8.06 3gizH1 VAL 120 HA 0.06 0.43 0.96 -0.75 4.13 4.83 3gizH1 VAL 120 HB 0.08 0.00 -0.10 -0.04 2.12 2.05 3gizH1 VAL 120 HG13 0.05 -0.02 -0.69 -0.04 0.97 0.26 3gizH1 VAL 120 HG23 0.05 -0.01 -0.35 -0.04 0.95 0.61 3gizH1 SER 121 H 0.10 0.73 0.22 -0.55 8.46 8.96 3gizH1 SER 121 HA 0.08 0.02 0.78 -0.75 4.49 4.61 3gizH1 SER 121 HB2 0.31 0.05 -0.23 -0.04 3.95 4.04 3gizH1 SER 121 HB3 0.36 0.11 -0.13 -0.04 3.93 4.23 3gizH1 SER 122 H 0.01 0.11 0.17 -0.55 8.46 8.20 3gizH1 SER 122 HA 0.02 0.14 0.74 -0.75 4.49 4.63 3gizH1 SER 122 HB2 -0.03 -0.03 0.14 -0.04 3.95 3.99 3gizH1 SER 122 HB3 -0.02 0.03 0.05 -0.04 3.93 3.95 3gizH1 ALA 123 H -0.09 -0.04 -0.08 -0.55 8.40 7.64 3gizH1 ALA 123 HA -0.10 0.00 0.36 -0.75 4.34 3.85 3gizH1 ALA 123 HB3 -0.59 0.02 0.01 -0.04 1.41 0.81 3gizH1 SER 124 H -0.00 0.04 0.13 -0.55 8.46 8.08 3gizH1 SER 124 HA 0.11 0.07 0.39 -0.75 4.49 4.31 3gizH1 SER 124 HB2 0.07 0.12 0.02 -0.04 3.95 4.11 3gizH1 SER 124 HB3 0.04 -0.01 0.09 -0.04 3.93 4.02 3gizH1 THR 125 H 0.13 0.06 0.12 -0.55 8.28 8.04 3gizH1 THR 125 HA 0.31 0.18 0.37 -0.75 4.39 4.50 3gizH1 THR 125 HB 0.12 0.07 0.08 -0.04 4.32 4.54 3gizH1 THR 125 HG23 0.07 -0.01 0.07 -0.04 1.22 1.32 3gizH1 LYS 126 H 0.30 0.76 0.35 -0.55 8.42 9.27 3gizH1 LYS 126 HA 0.13 0.06 0.85 -0.75 4.32 4.61 3gizH1 LYS 126 HB2 0.12 0.04 -0.25 -0.04 1.87 1.75 3gizH1 LYS 126 HB3 0.17 -0.13 0.04 -0.04 1.79 1.82 3gizH1 LYS 126 HG2 0.08 0.34 -0.08 -0.04 1.46 1.76 3gizH1 LYS 126 HG3 0.07 -0.08 0.03 -0.04 1.46 1.45 3gizH1 LYS 126 HD2 0.05 -0.07 -0.11 -0.04 1.69 1.53 3gizH1 LYS 126 HD3 0.07 0.08 -0.14 -0.04 1.68 1.64 3gizH1 LYS 126 HE2 0.04 -0.05 -0.02 -0.04 2.99 2.92 3gizH1 LYS 126 HE3 0.03 -0.10 -0.04 -0.04 2.99 2.83 3gizH1 GLY 127 H 0.11 0.11 0.13 -0.55 8.43 8.22 3gizH1 GLY 127 HA2 0.11 0.02 0.50 -0.51 4.01 4.12 3gizH1 GLY 127 HA3 0.07 0.02 0.30 -0.51 4.01 3.90 3gizH1 PRO 128 HA 0.04 0.35 0.33 -0.51 4.44 4.66 3gizH1 PRO 128 HB2 -0.11 0.01 -0.26 -0.04 2.28 1.88 3gizH1 PRO 128 HB3 -0.13 -0.02 -0.21 -0.04 2.02 1.62 3gizH1 PRO 128 HG2 -0.13 -0.01 -0.15 -0.04 2.03 1.71 3gizH1 PRO 128 HG3 -0.28 -0.01 -0.15 -0.04 2.03 1.55 3gizH1 PRO 128 HD2 -0.05 0.03 0.14 -0.04 3.68 3.76 3gizH1 PRO 128 HD3 -0.48 0.13 0.09 -0.04 3.65 3.35 3gizH1 SER 129 H -0.05 0.71 0.30 -0.55 8.46 8.86 3gizH1 SER 129 HA -0.22 0.14 0.78 -0.75 4.49 4.44 3gizH1 SER 129 HB2 -0.24 -0.05 0.10 -0.04 3.95 3.72 3gizH1 SER 129 HB3 -0.69 -0.01 -0.02 -0.04 3.93 3.17 3gizH1 VAL 130 H -0.36 0.21 0.06 -0.55 8.24 7.59 3gizH1 VAL 130 HA -0.27 0.35 1.05 -0.75 4.13 4.51 3gizH1 VAL 130 HB -0.16 -0.01 0.03 -0.04 2.12 1.94 3gizH1 VAL 130 HG13 -0.10 -0.01 -0.20 -0.04 0.97 0.62 3gizH1 VAL 130 HG23 -0.15 0.00 -0.27 -0.04 0.95 0.50 3gizH1 PHE 131 H -0.08 0.61 0.31 -0.55 8.34 8.62 3gizH1 PHE 131 HA 0.03 0.22 0.93 -0.75 4.62 5.04 3gizH1 PHE 131 HB2 0.04 -0.08 0.06 -0.04 3.15 3.13 3gizH1 PHE 131 HB3 0.03 0.08 0.08 -0.04 3.06 3.21 3gizH1 PHE 131 HD2 0.03 0.02 -0.04 -0.04 7.28 7.25 3gizH1 PHE 131 HE2 0.02 -0.01 -0.07 -0.04 7.38 7.28 3gizH1 PHE 131 HZ 0.02 0.01 -0.07 -0.04 7.32 7.24 3gizH1 PRO 132 HA 0.14 0.17 0.76 -0.51 4.44 5.00 3gizH1 PRO 132 HB2 0.11 -0.00 -0.01 -0.04 2.28 2.33 3gizH1 PRO 132 HB3 0.11 0.08 0.11 -0.04 2.02 2.28 3gizH1 PRO 132 HG2 0.10 -0.00 0.14 -0.04 2.03 2.23 3gizH1 PRO 132 HG3 0.09 0.08 0.13 -0.04 2.03 2.30 3gizH1 PRO 132 HD2 0.21 0.07 0.27 -0.04 3.68 4.19 3gizH1 PRO 132 HD3 0.14 0.17 0.20 -0.04 3.65 4.12 3gizH1 LEU 133 H 0.16 0.76 0.12 -0.55 8.37 8.86 3gizH1 LEU 133 HA 0.08 0.13 0.66 -0.75 4.35 4.47 3gizH1 LEU 133 HB2 0.13 -0.13 0.01 -0.04 1.64 1.61 3gizH1 LEU 133 HB3 0.08 0.05 -0.07 -0.04 1.64 1.65 3gizH1 LEU 133 HG 0.14 -0.03 -0.42 -0.04 1.64 1.29 3gizH1 LEU 133 HD13 0.14 -0.02 -0.26 -0.04 0.93 0.76 3gizH1 LEU 133 HD23 0.08 0.02 -0.10 -0.04 0.89 0.85 3gizH1 ALA 134 H 0.06 0.16 -0.11 -0.55 8.40 7.97 3gizH1 ALA 134 HA 0.07 0.07 0.37 -0.75 4.34 4.09 3gizH1 ALA 134 HB3 0.05 0.01 0.09 -0.04 1.41 1.52 3gizH1 PRO 135 HA -0.01 0.26 0.63 -0.51 4.44 4.81 3gizH1 PRO 135 HB2 -0.00 -0.05 -0.05 -0.04 2.28 2.14 3gizH1 PRO 135 HB3 -0.04 0.03 -0.01 -0.04 2.02 1.96 3gizH1 PRO 135 HG2 0.03 -0.03 -0.04 -0.04 2.03 1.96 3gizH1 PRO 135 HG3 0.02 0.09 -0.04 -0.04 2.03 2.05 3gizH1 PRO 135 HD2 0.05 0.13 -0.16 -0.04 3.68 3.66 3gizH1 PRO 135 HD3 0.02 0.13 0.07 -0.04 3.65 3.83 3gizH1 GLY 136 H -0.00 0.11 0.16 -0.55 8.43 8.15 3gizH1 GLY 136 HA2 0.01 0.13 0.25 -0.51 4.01 3.89 3gizH1 GLY 136 HA3 0.00 0.02 0.23 -0.51 4.01 3.75 3gizH1 GLY 143 HA2 -0.00 0.01 0.20 -0.51 4.01 3.71 3gizH1 GLY 143 HA3 -0.00 0.00 0.21 -0.51 4.01 3.71 3gizH1 THR 144 H -0.01 0.18 0.16 -0.55 8.28 8.06 3gizH1 THR 144 HA -0.02 0.14 1.25 -0.75 4.39 5.01 3gizH1 THR 144 HB -0.02 0.01 -0.10 -0.04 4.32 4.17 3gizH1 THR 144 HG23 -0.01 -0.01 -0.02 -0.04 1.22 1.13 3gizH1 ALA 145 H -0.04 0.98 0.39 -0.55 8.40 9.18 3gizH1 ALA 145 HA -0.03 0.12 0.93 -0.75 4.34 4.61 3gizH1 ALA 145 HB3 -0.05 -0.00 0.02 -0.04 1.41 1.34 3gizH1 ALA 146 H -0.05 0.16 0.25 -0.55 8.40 8.21 3gizH1 ALA 146 HA -0.12 0.26 0.99 -0.75 4.34 4.71 3gizH1 ALA 146 HB3 -0.03 0.00 0.00 -0.04 1.41 1.35 3gizH1 LEU 147 H -0.18 0.60 0.35 -0.55 8.37 8.59 3gizH1 LEU 147 HA -0.02 0.26 0.56 -0.75 4.35 4.40 3gizH1 LEU 147 HB2 -0.02 0.05 0.14 -0.04 1.64 1.77 3gizH1 LEU 147 HB3 -0.11 -0.02 -0.12 -0.04 1.64 1.35 3gizH1 LEU 147 HG -0.47 0.07 -0.05 -0.04 1.64 1.15 3gizH1 LEU 147 HD13 -0.31 -0.01 -0.21 -0.04 0.93 0.37 3gizH1 LEU 147 HD23 -0.66 -0.00 -0.17 -0.04 0.89 0.02 3gizH1 GLY 148 H 0.14 0.60 0.34 -0.55 8.43 8.97 3gizH1 GLY 148 HA2 0.40 0.06 0.50 -0.51 4.01 4.46 3gizH1 GLY 148 HA3 0.23 0.07 0.53 -0.51 4.01 4.32 3gizH1 CYS 149 H 0.40 0.65 0.37 -0.55 8.50 9.38 3gizH1 CYS 149 HA 0.16 0.25 0.83 -0.75 4.58 5.06 3gizH1 CYS 149 HB2 -0.02 -0.05 0.07 -0.04 2.97 2.92 3gizH1 CYS 149 HB3 -0.02 0.04 -0.08 -0.04 2.97 2.86 3gizH1 LEU 150 H 0.15 0.70 0.23 -0.55 8.37 8.91 3gizH1 LEU 150 HA 0.14 0.12 0.96 -0.75 4.35 4.83 3gizH1 LEU 150 HB2 0.16 -0.01 0.00 -0.04 1.64 1.75 3gizH1 LEU 150 HB3 0.28 -0.01 0.13 -0.04 1.64 2.00 3gizH1 LEU 150 HG 0.24 -0.00 -0.28 -0.04 1.64 1.56 3gizH1 LEU 150 HD13 0.11 0.02 -0.14 -0.04 0.93 0.88 3gizH1 LEU 150 HD23 0.18 -0.00 -0.08 -0.04 0.89 0.95 3gizH1 VAL 151 H 0.12 0.91 0.33 -0.55 8.24 9.05 3gizH1 VAL 151 HA -0.03 0.23 0.85 -0.75 4.13 4.42 3gizH1 VAL 151 HB 0.08 -0.05 0.13 -0.04 2.12 2.24 3gizH1 VAL 151 HG13 -0.17 -0.00 -0.19 -0.04 0.97 0.56 3gizH1 VAL 151 HG23 -0.03 0.00 -0.24 -0.04 0.95 0.64 3gizH1 LYS 152 H -0.00 0.82 0.31 -0.55 8.42 9.00 3gizH1 LYS 152 HA 0.16 0.08 0.82 -0.75 4.32 4.63 3gizH1 LYS 152 HB2 0.26 0.01 -0.09 -0.04 1.87 2.01 3gizH1 LYS 152 HB3 0.23 0.01 -0.01 -0.04 1.79 1.97 3gizH1 LYS 152 HG2 0.11 -0.01 0.02 -0.04 1.46 1.54 3gizH1 LYS 152 HG3 0.15 -0.03 -0.09 -0.04 1.46 1.44 3gizH1 LYS 152 HD2 0.24 0.00 -0.07 -0.04 1.69 1.82 3gizH1 LYS 152 HD3 0.21 0.02 -0.08 -0.04 1.68 1.80 3gizH1 LYS 152 HE2 0.07 -0.02 -0.06 -0.04 2.99 2.94 3gizH1 LYS 152 HE3 0.05 0.00 -0.05 -0.04 2.99 2.95 3gizH1 ASP 153 H 0.06 0.35 0.29 -0.55 8.40 8.55 3gizH1 ASP 153 HA -0.00 -0.03 0.31 -0.75 4.63 4.15 3gizH1 ASP 153 HB2 0.08 0.12 -0.24 -0.04 2.71 2.62 3gizH1 ASP 153 HB3 0.05 0.03 0.08 -0.04 2.70 2.82 3gizH1 TYR 154 H -0.19 0.28 0.14 -0.55 8.29 7.98 3gizH1 TYR 154 HA -0.01 0.40 0.67 -0.75 4.56 4.86 3gizH1 TYR 154 HB2 -0.62 0.14 -0.02 -0.04 3.06 2.51 3gizH1 TYR 154 HB3 -0.22 -0.04 -0.35 -0.04 2.98 2.31 3gizH1 TYR 154 HD2 -0.10 0.13 -0.46 -0.04 7.15 6.69 3gizH1 TYR 154 HE2 -0.02 -0.03 -0.22 -0.04 6.85 6.53 3gizH1 PHE 155 H 0.28 0.65 0.29 -0.55 8.34 9.01 3gizH1 PHE 155 HA 0.26 -0.05 0.46 -0.75 4.62 4.54 3gizH1 PHE 155 HB2 0.04 0.03 -0.08 -0.04 3.15 3.10 3gizH1 PHE 155 HB3 0.09 0.11 0.00 -0.04 3.06 3.21 3gizH1 PHE 155 HD2 0.11 0.07 -0.20 -0.04 7.28 7.22 3gizH1 PHE 155 HE2 0.12 0.05 -0.08 -0.04 7.38 7.43 3gizH1 PHE 155 HZ 0.08 -0.06 -0.08 -0.04 7.32 7.22 3gizH1 PRO 156 HA -0.75 0.05 0.30 -0.51 4.44 3.53 3gizH1 PRO 156 HB2 -0.40 0.07 0.10 -0.04 2.28 2.01 3gizH1 PRO 156 HB3 -1.39 0.01 0.05 -0.04 2.02 0.65 3gizH1 PRO 156 HG2 -0.18 0.16 -0.05 -0.04 2.03 1.91 3gizH1 PRO 156 HG3 -0.26 0.00 0.00 -0.04 2.03 1.74 3gizH1 PRO 156 HD2 -0.05 0.04 0.23 -0.04 3.68 3.87 3gizH1 PRO 156 HD3 -0.07 0.10 0.08 -0.04 3.65 3.72 3gizH1 GLU 157 H -0.31 0.07 0.05 -0.55 8.60 7.86 3gizH1 GLU 157 HA 0.10 0.05 0.57 -0.75 4.29 4.26 3gizH1 GLU 157 HB2 -0.26 0.01 0.05 -0.04 2.09 1.84 3gizH1 GLU 157 HB3 -0.14 0.01 0.05 -0.04 1.99 1.87 3gizH1 GLU 157 HG2 -0.49 0.00 -0.04 -0.04 2.34 1.77 3gizH1 GLU 157 HG3 -1.57 0.00 -0.02 -0.04 2.34 0.72 3gizH1 PRO 158 HA 0.03 -0.04 0.38 -0.51 4.44 4.31 3gizH1 PRO 158 HB2 -0.01 0.14 -0.08 -0.04 2.28 2.28 3gizH1 PRO 158 HB3 -0.02 0.00 0.04 -0.04 2.02 2.00 3gizH1 PRO 158 HG2 -0.03 0.00 -0.05 -0.04 2.03 1.91 3gizH1 PRO 158 HG3 -0.03 0.03 -0.01 -0.04 2.03 1.99 3gizH1 PRO 158 HD2 -0.06 0.02 0.20 -0.04 3.68 3.80 3gizH1 PRO 158 HD3 -0.05 0.15 0.35 -0.04 3.65 4.06 3gizH1 VAL 159 H -0.02 0.15 0.16 -0.55 8.24 7.99 3gizH1 VAL 159 HA -0.08 0.29 0.80 -0.75 4.13 4.39 3gizH1 VAL 159 HB -0.60 -0.08 0.03 -0.04 2.12 1.42 3gizH1 VAL 159 HG13 -0.21 -0.00 -0.24 -0.04 0.97 0.48 3gizH1 VAL 159 HG23 -0.75 0.03 -0.11 -0.04 0.95 0.08 3gizH1 THR 160 H -0.07 0.55 0.29 -0.55 8.28 8.50 3gizH1 THR 160 HA -0.03 0.19 0.89 -0.75 4.39 4.68 3gizH1 THR 160 HB -0.03 0.03 0.04 -0.04 4.32 4.32 3gizH1 THR 160 HG23 -0.03 0.01 -0.10 -0.04 1.22 1.06 3gizH1 VAL 161 H -0.03 0.23 0.14 -0.55 8.24 8.03 3gizH1 VAL 161 HA -0.14 0.36 1.04 -0.75 4.13 4.63 3gizH1 VAL 161 HB -0.01 -0.02 0.01 -0.04 2.12 2.06 3gizH1 VAL 161 HG13 -0.33 -0.01 -0.17 -0.04 0.97 0.42 3gizH1 VAL 161 HG23 -0.06 0.00 -0.28 -0.04 0.95 0.57 3gizH1 SER 162 H -0.19 0.54 0.29 -0.55 8.46 8.55 3gizH1 SER 162 HA 0.03 0.24 0.70 -0.75 4.49 4.71 3gizH1 SER 162 HB2 0.03 0.02 0.12 -0.04 3.95 4.07 3gizH1 SER 162 HB3 -0.02 0.06 -0.06 -0.04 3.93 3.86 3gizH1 TRP 163 H 0.23 0.35 0.19 -0.55 7.97 8.19 3gizH1 TRP 163 HA 0.03 0.30 1.17 -0.75 4.62 5.37 3gizH1 TRP 163 HB2 0.02 0.20 0.07 -0.04 3.23 3.48 3gizH1 TRP 163 HB3 0.07 -0.00 -0.05 -0.04 3.23 3.21 3gizH1 TRP 163 HD1 -0.01 0.03 -0.25 -0.04 7.22 6.94 3gizH1 TRP 163 HE1 0.01 -0.03 -0.34 -0.04 10.20 9.80 3gizH1 TRP 163 HE3 0.12 -0.05 -0.28 -0.04 7.59 7.34 3gizH1 TRP 163 HZ2 0.03 0.18 -0.16 -0.04 7.44 7.45 3gizH1 TRP 163 HZ3 0.09 0.02 -0.34 -0.04 7.13 6.85 3gizH1 TRP 163 HH2 0.03 0.01 -0.34 -0.04 7.19 6.85 3gizH1 ASN 164 H 0.19 0.75 0.32 -0.55 8.53 9.25 3gizH1 ASN 164 HA 0.08 0.06 0.35 -0.75 4.76 4.50 3gizH1 ASN 164 HB2 0.14 -0.01 -0.04 -0.04 2.88 2.93 3gizH1 ASN 164 HB3 0.06 0.05 0.20 -0.04 2.79 3.05 3gizH1 ASN 164 HD21 -0.10 0.29 0.13 -0.04 7.03 7.31 3gizH1 ASN 164 HD22 0.04 -0.04 -0.03 -0.04 7.74 7.67 3gizH1 SER 165 H 0.01 0.13 -0.24 -0.55 8.46 7.81 3gizH1 SER 165 HA -0.01 0.03 0.17 -0.75 4.49 3.93 3gizH1 SER 165 HB2 0.01 0.11 -0.19 -0.04 3.95 3.84 3gizH1 SER 165 HB3 -0.00 0.04 0.16 -0.04 3.93 4.09 3gizH1 GLY 166 H 0.06 0.21 -0.57 -0.55 8.43 7.58 3gizH1 GLY 166 HA2 0.05 -0.02 0.27 -0.51 4.01 3.80 3gizH1 GLY 166 HA3 0.03 0.16 0.60 -0.51 4.01 4.28 3gizH1 ALA 167 H 0.05 0.50 -0.19 -0.55 8.40 8.22 3gizH1 ALA 167 HA 0.03 0.09 0.56 -0.75 4.34 4.27 3gizH1 ALA 167 HB3 0.03 0.00 0.11 -0.04 1.41 1.51 3gizH1 LEU 168 H 0.12 0.38 -0.12 -0.55 8.37 8.20 3gizH1 LEU 168 HA 0.06 0.11 0.93 -0.75 4.35 4.69 3gizH1 LEU 168 HB2 0.14 0.02 -0.10 -0.04 1.64 1.66 3gizH1 LEU 168 HB3 0.25 -0.09 -0.07 -0.04 1.64 1.69 3gizH1 LEU 168 HG -0.04 0.01 -0.27 -0.04 1.64 1.30 3gizH1 LEU 168 HD13 0.01 -0.02 0.02 -0.04 0.93 0.90 3gizH1 LEU 168 HD23 0.12 -0.01 -0.13 -0.04 0.89 0.83 3gizH1 THR 169 H 0.01 -0.04 0.16 -0.55 8.28 7.86 3gizH1 THR 169 HA 0.03 0.18 0.87 -0.75 4.39 4.72 3gizH1 THR 169 HB 0.00 -0.01 0.03 -0.04 4.32 4.31 3gizH1 THR 169 HG23 0.04 0.02 -0.22 -0.04 1.22 1.02 3gizH1 SER 170 H -0.02 -0.03 0.20 -0.55 8.46 8.06 3gizH1 SER 170 HA -0.07 0.08 0.55 -0.75 4.49 4.30 3gizH1 SER 170 HB2 -0.03 0.01 0.17 -0.04 3.95 4.06 3gizH1 SER 170 HB3 -0.04 0.03 0.14 -0.04 3.93 4.02 3gizH1 GLY 171 H -0.13 0.14 0.20 -0.55 8.43 8.09 3gizH1 GLY 171 HA2 -0.17 -0.01 0.36 -0.51 4.01 3.69 3gizH1 GLY 171 HA3 -0.15 0.16 0.55 -0.51 4.01 4.06 3gizH1 VAL 172 H -0.22 0.28 -0.51 -0.55 8.24 7.24 3gizH1 VAL 172 HA -0.31 0.24 0.76 -0.75 4.13 4.07 3gizH1 VAL 172 HB -0.09 0.09 0.09 -0.04 2.12 2.17 3gizH1 VAL 172 HG13 0.11 -0.03 -0.17 -0.04 0.97 0.84 3gizH1 VAL 172 HG23 -0.17 0.00 -0.27 -0.04 0.95 0.47 3gizH1 HIS 173 H -0.12 0.78 0.28 -0.55 8.41 8.80 3gizH1 HIS 173 HA -0.20 0.13 0.64 -0.75 4.63 4.43 3gizH1 HIS 173 HB2 -0.24 -0.07 0.14 -0.04 3.26 3.05 3gizH1 HIS 173 HB3 -0.77 -0.00 -0.01 -0.04 3.20 2.38 3gizH1 HIS 173 HD2 -0.05 -0.02 -0.13 -0.04 6.97 6.73 3gizH1 HIS 173 HE1 -0.06 -0.04 -0.04 -0.04 7.75 7.57 3gizH1 THR 174 H -0.06 0.23 0.04 -0.55 8.28 7.93 3gizH1 THR 174 HA 0.10 0.12 1.08 -0.75 4.39 4.93 3gizH1 THR 174 HB 0.03 0.00 0.18 -0.04 4.32 4.49 3gizH1 THR 174 HG23 0.08 0.00 -0.08 -0.04 1.22 1.18 3gizH1 PHE 175 H 0.27 0.58 0.31 -0.55 8.34 8.95 3gizH1 PHE 175 HA 0.07 0.07 0.36 -0.75 4.62 4.37 3gizH1 PHE 175 HB2 0.08 -0.05 0.20 -0.04 3.15 3.34 3gizH1 PHE 175 HB3 0.06 0.10 0.07 -0.04 3.06 3.25 3gizH1 PHE 175 HD2 0.06 0.09 0.01 -0.04 7.28 7.40 3gizH1 PHE 175 HE2 0.02 -0.02 -0.04 -0.04 7.38 7.29 3gizH1 PHE 175 HZ -0.05 -0.02 -0.05 -0.04 7.32 7.16 3gizH1 PRO 176 HA 0.10 -0.01 0.57 -0.51 4.44 4.59 3gizH1 PRO 176 HB2 0.10 0.12 0.03 -0.04 2.28 2.49 3gizH1 PRO 176 HB3 0.08 -0.01 0.16 -0.04 2.02 2.21 3gizH1 PRO 176 HG2 0.16 0.02 0.11 -0.04 2.03 2.27 3gizH1 PRO 176 HG3 0.11 0.03 0.11 -0.04 2.03 2.23 3gizH1 PRO 176 HD2 0.33 0.03 0.24 -0.04 3.68 4.25 3gizH1 PRO 176 HD3 0.10 0.16 0.20 -0.04 3.65 4.07 3gizH1 ALA 177 H 0.10 0.02 0.19 -0.55 8.40 8.16 3gizH1 ALA 177 HA 0.17 0.22 0.55 -0.75 4.34 4.52 3gizH1 ALA 177 HB3 0.12 -0.03 0.03 -0.04 1.41 1.49 3gizH1 VAL 178 H 0.15 0.54 0.40 -0.55 8.24 8.78 3gizH1 VAL 178 HA 0.12 0.16 0.87 -0.75 4.13 4.52 3gizH1 VAL 178 HB 0.06 -0.02 0.12 -0.04 2.12 2.23 3gizH1 VAL 178 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.78 3gizH1 VAL 178 HG23 0.06 0.03 -0.09 -0.04 0.95 0.90 3gizH1 LEU 179 H 0.08 0.19 0.07 -0.55 8.37 8.16 3gizH1 LEU 179 HA -0.34 0.13 0.72 -0.75 4.35 4.10 3gizH1 LEU 179 HB2 -0.05 -0.01 -0.01 -0.04 1.64 1.53 3gizH1 LEU 179 HB3 -0.02 -0.02 0.13 -0.04 1.64 1.69 3gizH1 LEU 179 HG -0.16 0.08 -0.27 -0.04 1.64 1.26 3gizH1 LEU 179 HD13 -0.61 -0.00 -0.23 -0.04 0.93 0.06 3gizH1 LEU 179 HD23 -0.03 -0.01 -0.04 -0.04 0.89 0.76 3gizH1 GLN 180 H -0.17 0.61 0.26 -0.55 8.47 8.62 3gizH1 GLN 180 HA -0.05 0.09 0.52 -0.75 4.36 4.16 3gizH1 GLN 180 HB2 -0.09 0.04 0.14 -0.04 2.15 2.20 3gizH1 GLN 180 HB3 -0.05 -0.10 0.11 -0.04 2.02 1.95 3gizH1 GLN 180 HG2 -0.02 -0.02 -0.01 -0.04 2.40 2.31 3gizH1 GLN 180 HG3 -0.04 0.10 0.01 -0.04 2.39 2.42 3gizH1 GLN 180 HE21 -0.00 -0.07 -0.11 -0.04 6.97 6.75 3gizH1 GLN 180 HE22 -0.07 0.25 -0.38 -0.04 7.69 7.45 3gizH1 SER 181 H -0.04 0.17 0.16 -0.55 8.46 8.19 3gizH1 SER 181 HA -0.05 0.12 0.36 -0.75 4.49 4.17 3gizH1 SER 181 HB2 -0.03 0.04 0.13 -0.04 3.95 4.04 3gizH1 SER 181 HB3 -0.03 0.00 0.15 -0.04 3.93 4.02 3gizH1 SER 182 H -0.07 -0.02 -0.57 -0.55 8.46 7.26 3gizH1 SER 182 HA -0.06 0.15 0.48 -0.75 4.49 4.30 3gizH1 SER 182 HB2 -0.05 0.07 0.07 -0.04 3.95 3.99 3gizH1 SER 182 HB3 -0.04 -0.01 0.03 -0.04 3.93 3.86 3gizH1 GLY 183 H -0.13 0.53 -0.35 -0.55 8.43 7.94 3gizH1 GLY 183 HA2 -0.19 0.02 0.25 -0.51 4.01 3.57 3gizH1 GLY 183 HA3 -0.20 0.10 0.62 -0.51 4.01 4.01 3gizH1 LEU 184 H -0.15 -0.06 -0.31 -0.55 8.37 7.30 3gizH1 LEU 184 HA -0.10 0.29 0.84 -0.75 4.35 4.63 3gizH1 LEU 184 HB2 -0.07 -0.12 -0.04 -0.04 1.64 1.38 3gizH1 LEU 184 HB3 -0.04 0.00 -0.08 -0.04 1.64 1.48 3gizH1 LEU 184 HG -0.08 0.00 -0.36 -0.04 1.64 1.16 3gizH1 LEU 184 HD13 -0.01 0.01 -0.11 -0.04 0.93 0.78 3gizH1 LEU 184 HD23 0.00 0.04 -0.31 -0.04 0.89 0.59 3gizH1 TYR 185 H -0.18 0.77 0.31 -0.55 8.29 8.64 3gizH1 TYR 185 HA -0.16 0.27 0.93 -0.75 4.56 4.84 3gizH1 TYR 185 HB2 -1.31 0.08 -0.00 -0.04 3.06 1.79 3gizH1 TYR 185 HB3 -0.47 -0.05 -0.01 -0.04 2.98 2.41 3gizH1 TYR 185 HD2 -0.06 0.09 -0.22 -0.04 7.15 6.92 3gizH1 TYR 185 HE2 0.09 -0.00 -0.07 -0.04 6.85 6.82 3gizH1 SER 186 H 0.07 0.41 0.37 -0.55 8.46 8.77 3gizH1 SER 186 HA 0.17 0.31 0.88 -0.75 4.49 5.09 3gizH1 SER 186 HB2 0.03 -0.05 -0.13 -0.04 3.95 3.77 3gizH1 SER 186 HB3 0.06 -0.02 0.08 -0.04 3.93 4.01 3gizH1 LEU 187 H 0.26 0.64 0.33 -0.55 8.37 9.06 3gizH1 LEU 187 HA 0.16 0.14 0.39 -0.75 4.35 4.29 3gizH1 LEU 187 HB2 0.21 0.19 0.07 -0.04 1.64 2.06 3gizH1 LEU 187 HB3 0.20 -0.02 -0.00 -0.04 1.64 1.78 3gizH1 LEU 187 HG 0.23 -0.07 -0.05 -0.04 1.64 1.71 3gizH1 LEU 187 HD13 0.10 -0.02 -0.30 -0.04 0.93 0.66 3gizH1 LEU 187 HD23 0.13 0.03 -0.06 -0.04 0.89 0.96 3gizH1 SER 188 H 0.20 0.20 0.16 -0.55 8.46 8.47 3gizH1 SER 188 HA 0.18 0.26 1.04 -0.75 4.49 5.21 3gizH1 SER 188 HB2 0.13 -0.03 0.07 -0.04 3.95 4.08 3gizH1 SER 188 HB3 0.20 0.05 -0.03 -0.04 3.93 4.12 3gizH1 SER 189 H 0.25 0.68 0.34 -0.55 8.46 9.17 3gizH1 SER 189 HA 0.29 0.23 1.00 -0.75 4.49 5.25 3gizH1 SER 189 HB2 0.18 -0.01 0.00 -0.04 3.95 4.08 3gizH1 SER 189 HB3 0.30 -0.06 0.10 -0.04 3.93 4.23 3gizH1 VAL 190 H 0.21 0.76 0.31 -0.55 8.24 8.98 3gizH1 VAL 190 HA 0.09 0.24 1.18 -0.75 4.13 4.89 3gizH1 VAL 190 HB 0.05 0.08 0.11 -0.04 2.12 2.33 3gizH1 VAL 190 HG13 0.24 -0.03 -0.23 -0.04 0.97 0.91 3gizH1 VAL 190 HG23 0.26 0.02 -0.05 -0.04 0.95 1.14 3gizH1 VAL 191 H -0.33 0.63 0.30 -0.55 8.24 8.29 3gizH1 VAL 191 HA -0.31 0.35 0.43 -0.75 4.13 3.85 3gizH1 VAL 191 HB -0.90 -0.01 -0.19 -0.04 2.12 0.98 3gizH1 VAL 191 HG13 -1.12 -0.03 -0.19 -0.04 0.97 -0.40 3gizH1 VAL 191 HG23 -0.35 0.01 -0.27 -0.04 0.95 0.31 3gizH1 THR 192 H -0.16 0.32 0.17 -0.55 8.28 8.06 3gizH1 THR 192 HA -0.14 0.21 1.14 -0.75 4.39 4.84 3gizH1 THR 192 HB -0.05 0.03 0.02 -0.04 4.32 4.28 3gizH1 THR 192 HG23 -0.01 -0.02 -0.02 -0.04 1.22 1.13 3gizH1 VAL 193 H -0.13 0.79 0.29 -0.55 8.24 8.64 3gizH1 VAL 193 HA -0.09 0.19 0.83 -0.75 4.13 4.31 3gizH1 VAL 193 HB -0.04 0.04 -0.02 -0.04 2.12 2.06 3gizH1 VAL 193 HG13 -0.52 0.01 -0.40 -0.04 0.97 0.02 3gizH1 VAL 193 HG23 -0.22 -0.00 -0.29 -0.04 0.95 0.40 3gizH1 PRO 194 HA -0.01 0.31 0.84 -0.51 4.44 5.07 3gizH1 PRO 194 HB2 0.01 -0.11 0.05 -0.04 2.28 2.19 3gizH1 PRO 194 HB3 0.00 0.10 0.16 -0.04 2.02 2.24 3gizH1 PRO 194 HG2 0.04 -0.02 0.11 -0.04 2.03 2.12 3gizH1 PRO 194 HG3 0.01 0.08 0.09 -0.04 2.03 2.17 3gizH1 PRO 194 HD2 0.00 0.13 0.23 -0.04 3.68 4.00 3gizH1 PRO 194 HD3 -0.01 0.16 0.12 -0.04 3.65 3.87 3gizH1 SER 195 H -0.01 0.74 0.25 -0.55 8.46 8.90 3gizH1 SER 195 HA -0.00 0.04 0.28 -0.75 4.49 4.05 3gizH1 SER 195 HB2 0.00 0.08 -0.03 -0.04 3.95 3.95 3gizH1 SER 195 HB3 0.00 -0.01 -0.60 -0.04 3.93 3.28 3gizH1 SER 196 H 0.01 0.19 -0.18 -0.55 8.46 7.93 3gizH1 SER 196 HA 0.02 0.07 0.30 -0.75 4.49 4.12 3gizH1 SER 196 HB2 0.01 0.02 0.05 -0.04 3.95 3.98 3gizH1 SER 196 HB3 0.01 0.05 0.09 -0.04 3.93 4.03 3gizH1 SER 197 H 0.04 0.38 -0.58 -0.55 8.46 7.75 3gizH1 SER 197 HA 0.04 0.11 0.51 -0.75 4.49 4.40 3gizH1 SER 197 HB2 0.12 0.15 -0.02 -0.04 3.95 4.16 3gizH1 SER 197 HB3 0.07 -0.04 0.08 -0.04 3.93 4.00 3gizH1 LEU 198 H 0.06 0.54 -0.28 -0.55 8.37 8.15 3gizH1 LEU 198 HA 0.17 0.10 0.28 -0.75 4.35 4.16 3gizH1 LEU 198 HB2 0.04 0.10 0.09 -0.04 1.64 1.83 3gizH1 LEU 198 HB3 0.06 -0.00 0.02 -0.04 1.64 1.68 3gizH1 LEU 198 HG 0.03 0.03 0.01 -0.04 1.64 1.68 3gizH1 LEU 198 HD13 0.01 -0.02 -0.04 -0.04 0.93 0.83 3gizH1 LEU 198 HD23 0.03 -0.00 -0.07 -0.04 0.89 0.81 3gizH1 GLY 199 H 0.04 0.16 -0.26 -0.55 8.43 7.82 3gizH1 GLY 199 HA2 0.03 0.13 0.55 -0.51 4.01 4.21 3gizH1 GLY 199 HA3 0.02 -0.01 0.26 -0.51 4.01 3.77 3gizH1 THR 200 H 0.03 0.24 -0.38 -0.55 8.28 7.62 3gizH1 THR 200 HA -0.00 0.15 0.66 -0.75 4.39 4.44 3gizH1 THR 200 HB 0.01 -0.02 0.04 -0.04 4.32 4.32 3gizH1 THR 200 HG23 -0.01 -0.01 -0.13 -0.04 1.22 1.03 3gizH1 GLN 201 H 0.00 0.53 0.14 -0.55 8.47 8.60 3gizH1 GLN 201 HA -0.14 0.09 0.81 -0.75 4.36 4.37 3gizH1 GLN 201 HB2 -0.07 0.07 0.02 -0.04 2.15 2.14 3gizH1 GLN 201 HB3 -0.52 0.01 -0.09 -0.04 2.02 1.39 3gizH1 GLN 201 HG2 -0.02 -0.06 -0.06 -0.04 2.40 2.22 3gizH1 GLN 201 HG3 0.00 -0.05 -0.02 -0.04 2.39 2.28 3gizH1 GLN 201 HE21 -0.07 -0.01 0.01 -0.04 6.97 6.85 3gizH1 GLN 201 HE22 -0.16 0.02 -0.01 -0.04 7.69 7.50 3gizH1 THR 202 H -0.21 0.13 0.15 -0.55 8.28 7.80 3gizH1 THR 202 HA -0.08 0.18 0.72 -0.75 4.39 4.46 3gizH1 THR 202 HB -0.09 -0.03 0.10 -0.04 4.32 4.27 3gizH1 THR 202 HG23 0.00 -0.02 -0.21 -0.04 1.22 0.94 3gizH1 TYR 203 H 0.13 0.31 0.15 -0.55 8.29 8.32 3gizH1 TYR 203 HA 0.19 0.10 0.89 -0.75 4.56 4.98 3gizH1 TYR 203 HB2 0.15 0.15 0.15 -0.04 3.06 3.48 3gizH1 TYR 203 HB3 0.27 -0.04 -0.06 -0.04 2.98 3.12 3gizH1 TYR 203 HD2 0.03 0.04 -0.08 -0.04 7.15 7.10 3gizH1 TYR 203 HE2 -0.03 0.01 -0.17 -0.04 6.85 6.62 3gizH1 ILE 204 H 0.31 0.15 0.12 -0.55 8.25 8.28 3gizH1 ILE 204 HA 0.10 0.39 0.94 -0.75 4.18 4.85 3gizH1 ILE 204 HB 0.04 -0.13 0.04 -0.04 1.89 1.80 3gizH1 ILE 204 HG12 0.04 0.03 -0.18 -0.04 1.49 1.34 3gizH1 ILE 204 HG13 0.07 -0.08 -0.55 -0.04 1.21 0.60 3gizH1 ILE 204 HG23 -0.05 0.00 -0.36 -0.04 0.93 0.48 3gizH1 ILE 204 HD13 0.01 0.01 -0.13 -0.04 0.88 0.74 3gizH1 CYS 205 H -0.28 0.58 0.22 -0.55 8.50 8.48 3gizH1 CYS 205 HA -1.16 0.22 1.03 -0.75 4.58 3.92 3gizH1 CYS 205 HB2 -1.08 0.03 -0.02 -0.04 2.97 1.86 3gizH1 CYS 205 HB3 -2.03 0.00 -0.02 -0.04 2.97 0.88 3gizH1 ASN 206 H -0.42 0.79 0.29 -0.55 8.53 8.65 3gizH1 ASN 206 HA -0.17 0.27 1.01 -0.75 4.76 5.12 3gizH1 ASN 206 HB2 -0.12 -0.08 0.12 -0.04 2.88 2.76 3gizH1 ASN 206 HB3 -0.10 0.07 -0.01 -0.04 2.79 2.72 3gizH1 ASN 206 HD21 -0.05 -0.08 -0.16 -0.04 7.03 6.71 3gizH1 ASN 206 HD22 -0.08 0.11 -0.16 -0.04 7.74 7.58 3gizH1 VAL 207 H -0.16 0.76 0.27 -0.55 8.24 8.56 3gizH1 VAL 207 HA -0.15 0.24 0.93 -0.75 4.13 4.39 3gizH1 VAL 207 HB -0.14 -0.03 0.06 -0.04 2.12 1.97 3gizH1 VAL 207 HG13 -0.16 -0.00 -0.20 -0.04 0.97 0.57 3gizH1 VAL 207 HG23 -0.19 -0.00 -0.18 -0.04 0.95 0.54 3gizH1 ASN 208 H -0.10 0.63 0.34 -0.55 8.53 8.85 3gizH1 ASN 208 HA -0.05 0.35 0.91 -0.75 4.76 5.21 3gizH1 ASN 208 HB2 -0.06 -0.00 -0.13 -0.04 2.88 2.64 3gizH1 ASN 208 HB3 -0.06 -0.06 0.09 -0.04 2.79 2.72 3gizH1 ASN 208 HD21 -0.04 -0.00 -0.10 -0.04 7.03 6.85 3gizH1 ASN 208 HD22 -0.04 -0.02 -0.08 -0.04 7.74 7.56 3gizH1 HIS 209 H 0.01 0.87 0.19 -0.55 8.41 8.94 3gizH1 HIS 209 HA -0.13 0.23 0.93 -0.75 4.63 4.91 3gizH1 HIS 209 HB2 -0.19 0.00 -0.02 -0.04 3.26 3.01 3gizH1 HIS 209 HB3 -0.08 -0.08 0.19 -0.04 3.20 3.20 3gizH1 HIS 209 HD2 -0.17 0.19 0.03 -0.04 6.97 6.97 3gizH1 HIS 209 HE1 0.10 0.20 -0.31 -0.04 7.75 7.68 3gizH1 LYS 210 H -0.14 0.24 0.01 -0.55 8.42 7.98 3gizH1 LYS 210 HA -0.10 0.02 0.39 -0.75 4.32 3.87 3gizH1 LYS 210 HB2 -0.12 0.08 0.12 -0.04 1.87 1.91 3gizH1 LYS 210 HB3 -0.09 0.02 0.02 -0.04 1.79 1.69 3gizH1 LYS 210 HG2 -0.06 -0.01 -0.02 -0.04 1.46 1.32 3gizH1 LYS 210 HG3 -0.07 -0.01 -0.03 -0.04 1.46 1.31 3gizH1 LYS 210 HD2 -0.05 0.02 -0.01 -0.04 1.69 1.61 3gizH1 LYS 210 HD3 -0.05 0.01 -0.01 -0.04 1.68 1.59 3gizH1 LYS 210 HE2 -0.03 0.00 -0.03 -0.04 2.99 2.90 3gizH1 LYS 210 HE3 -0.04 -0.01 -0.04 -0.04 2.99 2.86 3gizH1 PRO 211 HA -0.14 0.05 0.24 -0.51 4.44 4.08 3gizH1 PRO 211 HB2 -0.35 0.09 -0.06 -0.04 2.28 1.92 3gizH1 PRO 211 HB3 -0.14 0.00 0.08 -0.04 2.02 1.92 3gizH1 PRO 211 HG2 -0.25 0.20 -0.17 -0.04 2.03 1.76 3gizH1 PRO 211 HG3 -0.18 -0.01 -0.00 -0.04 2.03 1.80 3gizH1 PRO 211 HD2 -1.11 0.11 -0.14 -0.04 3.68 2.49 3gizH1 PRO 211 HD3 -0.28 0.03 0.11 -0.04 3.65 3.47 3gizH1 SER 212 H -0.30 0.18 -0.52 -0.55 8.46 7.27 3gizH1 SER 212 HA 0.01 0.21 0.84 -0.75 4.49 4.79 3gizH1 SER 212 HB2 0.11 -0.02 0.04 -0.04 3.95 4.04 3gizH1 SER 212 HB3 0.20 0.01 -0.27 -0.04 3.93 3.83 3gizH1 ASN 213 H -0.08 0.57 -0.04 -0.55 8.53 8.43 3gizH1 ASN 213 HA -0.04 -0.01 0.31 -0.75 4.76 4.27 3gizH1 ASN 213 HB2 -0.02 -0.00 -0.13 -0.04 2.88 2.69 3gizH1 ASN 213 HB3 -0.01 0.09 0.27 -0.04 2.79 3.09 3gizH1 ASN 213 HD21 -0.01 -0.05 0.03 -0.04 7.03 6.96 3gizH1 ASN 213 HD22 -0.01 0.01 0.05 -0.04 7.74 7.75 3gizH1 THR 214 H 0.00 0.51 -0.01 -0.55 8.28 8.23 3gizH1 THR 214 HA -0.00 0.19 0.74 -0.75 4.39 4.57 3gizH1 THR 214 HB 0.07 -0.11 0.10 -0.04 4.32 4.34 3gizH1 THR 214 HG23 -0.02 0.02 -0.16 -0.04 1.22 1.02 3gizH1 LYS 215 H -0.02 0.29 0.17 -0.55 8.42 8.31 3gizH1 LYS 215 HA -0.05 0.33 0.88 -0.75 4.32 4.73 3gizH1 LYS 215 HB2 -0.03 -0.03 0.06 -0.04 1.87 1.82 3gizH1 LYS 215 HB3 -0.04 0.02 0.05 -0.04 1.79 1.77 3gizH1 LYS 215 HG2 -0.03 -0.02 -0.08 -0.04 1.46 1.28 3gizH1 LYS 215 HG3 -0.03 -0.03 -0.45 -0.04 1.46 0.90 3gizH1 LYS 215 HD2 -0.02 0.00 0.04 -0.04 1.69 1.67 3gizH1 LYS 215 HD3 -0.02 -0.03 -0.04 -0.04 1.68 1.55 3gizH1 LYS 215 HE2 -0.02 0.26 -0.18 -0.04 2.99 3.01 3gizH1 LYS 215 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3gizH1 VAL 216 H -0.08 0.67 0.22 -0.55 8.24 8.50 3gizH1 VAL 216 HA -0.06 0.17 0.88 -0.75 4.13 4.37 3gizH1 VAL 216 HB -0.10 -0.07 -0.01 -0.04 2.12 1.90 3gizH1 VAL 216 HG13 -0.08 -0.00 -0.13 -0.04 0.97 0.71 3gizH1 VAL 216 HG23 -0.07 0.02 -0.23 -0.04 0.95 0.63 3gizH1 ASP 217 H -0.06 0.23 0.12 -0.55 8.40 8.15 3gizH1 ASP 217 HA -0.11 0.37 1.04 -0.75 4.63 5.18 3gizH1 ASP 217 HB2 -0.04 -0.00 0.13 -0.04 2.71 2.76 3gizH1 ASP 217 HB3 -0.05 -0.02 -0.05 -0.04 2.70 2.54 3gizH1 LYS 218 H -0.12 0.58 0.19 -0.55 8.42 8.50 3gizH1 LYS 218 HA -0.02 0.17 0.97 -0.75 4.32 4.69 3gizH1 LYS 218 HB2 -0.07 0.00 -0.13 -0.04 1.87 1.64 3gizH1 LYS 218 HB3 -0.08 -0.08 0.05 -0.04 1.79 1.64 3gizH1 LYS 218 HG2 0.02 -0.05 -0.26 -0.04 1.46 1.13 3gizH1 LYS 218 HG3 0.04 0.10 -0.30 -0.04 1.46 1.26 3gizH1 LYS 218 HD2 0.04 0.00 0.04 -0.04 1.69 1.73 3gizH1 LYS 218 HD3 0.01 -0.02 0.12 -0.04 1.68 1.76 3gizH1 LYS 218 HE2 -0.03 -0.05 -0.03 -0.04 2.99 2.84 3gizH1 LYS 218 HE3 -0.04 0.19 -0.03 -0.04 2.99 3.07 3gizH1 LYS 219 H 0.02 0.18 0.11 -0.55 8.42 8.17 3gizH1 LYS 219 HA 0.09 0.17 0.88 -0.75 4.32 4.71 3gizH1 LYS 219 HB2 0.04 -0.04 0.07 -0.04 1.87 1.89 3gizH1 LYS 219 HB3 0.05 -0.00 0.11 -0.04 1.79 1.90 3gizH1 LYS 219 HG2 0.08 0.05 -0.20 -0.04 1.46 1.35 3gizH1 LYS 219 HG3 0.08 -0.01 -0.04 -0.04 1.46 1.45 3gizH1 LYS 219 HD2 0.04 -0.00 -0.04 -0.04 1.69 1.64 3gizH1 LYS 219 HD3 0.04 0.03 -0.06 -0.04 1.68 1.64 3gizH1 LYS 219 HE2 0.02 0.01 -0.05 -0.04 2.99 2.93 3gizH1 LYS 219 HE3 0.02 -0.04 -0.09 -0.04 2.99 2.85 3gizH1 VAL 220 H 0.21 0.75 0.35 -0.55 8.24 9.01 3gizH1 VAL 220 HA 0.13 0.12 0.93 -0.75 4.13 4.55 3gizH1 VAL 220 HB 0.33 -0.04 0.10 -0.04 2.12 2.46 3gizH1 VAL 220 HG13 0.15 -0.03 -0.11 -0.04 0.97 0.94 3gizH1 VAL 220 HG23 0.26 0.03 -0.15 -0.04 0.95 1.04 3gizH1 GLU 221 H 0.09 0.21 0.20 -0.55 8.60 8.55 3gizH1 GLU 221 HA 0.11 0.23 0.93 -0.75 4.29 4.80 3gizH1 GLU 221 HB2 0.06 -0.02 0.01 -0.04 2.09 2.11 3gizH1 GLU 221 HB3 0.06 0.09 -0.00 -0.04 1.99 2.10 3gizH1 GLU 221 HG2 0.08 0.09 -0.11 -0.04 2.34 2.36 3gizH1 GLU 221 HG3 0.08 -0.12 -0.48 -0.04 2.34 1.78 3gizH1 PRO 222 HA 0.04 0.23 0.32 -0.51 4.44 4.52 3gizH1 PRO 222 HB2 0.04 -0.01 0.03 -0.04 2.28 2.30 3gizH1 PRO 222 HB3 0.03 0.05 0.06 -0.04 2.02 2.11 3gizH1 PRO 222 HG2 0.05 0.06 0.02 -0.04 2.03 2.12 3gizH1 PRO 222 HG3 0.04 0.01 0.04 -0.04 2.03 2.08 3gizH1 PRO 222 HD2 0.07 0.11 0.22 -0.04 3.68 4.04 3gizH1 PRO 222 HD3 0.08 0.16 0.16 -0.04 3.65 4.01