============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 20 1.000 51.167 11.362 15.505 -99.200 -91.000 HIS 32 0.900 35.484 26.181 9.075 -99.200 -91.000 HIS 38 0.900 28.315 30.355 20.492 -99.200 -91.000 HIS 58 0.900 37.265 -2.539 17.750 -99.200 -91.000 TYR 66 0.840 30.642 5.236 11.561 -99.200 -91.000 TYR 88 0.840 32.009 9.026 22.952 -99.200 -91.000 PHE 89 1.000 40.529 8.113 20.175 -99.200 -91.000 TRP 98 1.040 39.887 -2.181 25.881 -99.200 -91.000 TRP6 98 1.020 38.705 -0.939 24.249 -99.200 -91.000 HIS 106 0.900 49.718 -2.653 21.658 -99.200 -91.000 PHE 111 1.000 46.322 -2.333 31.648 -99.200 -91.000 PHE 138 1.000 36.796 16.411 26.268 -99.200 -91.000 TYR 146 0.840 48.924 13.628 26.565 -99.200 -91.000 TRP 153 1.040 28.851 18.000 21.858 -99.200 -91.000 TRP6 153 1.020 28.573 15.783 22.632 -99.200 -91.000 HIS 166 0.900 35.004 13.598 35.561 -99.200 -91.000 PHE 179 1.000 28.290 18.947 32.278 -99.200 -91.000 HIS 201 0.900 34.161 25.717 38.563 -99.200 -91.000 PHE 203 1.000 40.099 23.155 36.932 -99.200 -91.000 TRP 209 1.040 54.940 23.318 28.680 -99.200 -91.000 TRP6 209 1.020 56.487 23.391 26.896 -99.200 -91.000 HIS 211 0.900 56.648 20.620 33.542 -99.200 -91.000 HIS 224 0.900 24.129 19.521 24.762 -99.200 -91.000 TYR 235 0.840 12.057 7.503 23.689 -99.200 -91.000 HIS 239 0.900 9.991 10.724 30.186 -99.200 -91.000 PHE 260 1.000 17.606 9.503 18.354 -99.200 -91.000 HIS 262 0.900 24.776 4.864 25.761 -99.200 -91.000 PHE 269 1.000 21.343 -4.312 17.395 -99.200 -91.000 HIS 298 0.900 31.940 0.076 13.985 -99.200 -91.000 TYR 310 0.840 36.749 -3.438 8.630 -99.200 -91.000 TRP 321 1.040 26.652 3.241 5.944 -99.200 -91.000 TRP6 321 1.020 27.457 5.130 7.136 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1gg1A1 ASP 7 HA -0.00 -0.08 0.13 -0.75 4.63 3.93 1gg1A1 LEU 8 H -0.00 0.17 0.09 -0.55 8.37 8.08 1gg1A1 LEU 8 HA -0.00 0.11 0.42 -0.75 4.35 4.13 1gg1A1 LEU 8 HB2 0.00 0.03 0.11 -0.04 1.64 1.73 1gg1A1 LEU 8 HB3 -0.00 -0.04 0.15 -0.04 1.64 1.71 1gg1A1 LEU 8 HG -0.00 0.03 -0.43 -0.04 1.64 1.20 1gg1A1 LEU 8 HD13 0.00 0.00 0.00 -0.04 0.93 0.89 1gg1A1 LEU 8 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.82 1gg1A1 ARG 9 H -0.00 0.06 -0.17 -0.55 8.46 7.79 1gg1A1 ARG 9 HA -0.00 0.26 0.84 -0.75 4.34 4.68 1gg1A1 ARG 9 HB2 -0.01 -0.02 0.03 -0.04 1.90 1.86 1gg1A1 ARG 9 HB3 -0.01 -0.01 0.16 -0.04 1.80 1.90 1gg1A1 ARG 9 HG2 -0.00 0.09 -0.12 -0.04 1.67 1.59 1gg1A1 ARG 9 HG3 -0.00 -0.06 -0.11 -0.04 1.67 1.46 1gg1A1 ARG 9 HD2 -0.00 -0.01 -0.01 -0.04 3.22 3.15 1gg1A1 ARG 9 HD3 -0.00 -0.00 0.01 -0.04 3.22 3.18 1gg1A1 ILE 10 H -0.00 0.38 -0.55 -0.55 8.25 7.53 1gg1A1 ILE 10 HA -0.01 0.08 0.79 -0.75 4.18 4.28 1gg1A1 ILE 10 HB -0.00 0.13 0.08 -0.04 1.89 2.05 1gg1A1 ILE 10 HG12 -0.01 -0.15 -0.17 -0.04 1.49 1.12 1gg1A1 ILE 10 HG13 -0.00 0.03 -0.04 -0.04 1.21 1.15 1gg1A1 ILE 10 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 1gg1A1 ILE 10 HD13 -0.01 0.04 -0.12 -0.04 0.88 0.74 1gg1A1 LYS 11 H -0.02 0.12 0.07 -0.55 8.42 8.04 1gg1A1 LYS 11 HA -0.00 0.16 0.52 -0.75 4.32 4.25 1gg1A1 LYS 11 HB2 -0.02 -0.05 0.12 -0.04 1.87 1.88 1gg1A1 LYS 11 HB3 -0.00 -0.00 0.01 -0.04 1.79 1.75 1gg1A1 LYS 11 HG2 -0.01 0.02 -0.10 -0.04 1.46 1.33 1gg1A1 LYS 11 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.41 1gg1A1 LYS 11 HD2 0.00 -0.02 0.00 -0.04 1.69 1.63 1gg1A1 LYS 11 HD3 0.00 0.04 -0.00 -0.04 1.68 1.68 1gg1A1 LYS 11 HE2 -0.00 0.03 -0.03 -0.04 2.99 2.95 1gg1A1 LYS 11 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.92 1gg1A1 GLU 12 H -0.02 0.15 0.07 -0.55 8.60 8.26 1gg1A1 GLU 12 HA -0.00 0.17 0.61 -0.75 4.29 4.32 1gg1A1 GLU 12 HB2 0.00 0.15 -0.18 -0.04 2.09 2.03 1gg1A1 GLU 12 HB3 -0.01 -0.07 -0.13 -0.04 1.99 1.74 1gg1A1 GLU 12 HG2 0.00 -0.06 -0.25 -0.04 2.34 1.99 1gg1A1 GLU 12 HG3 0.01 -0.06 -0.06 -0.04 2.34 2.18 1gg1A1 ILE 13 H 0.00 0.28 0.12 -0.55 8.25 8.11 1gg1A1 ILE 13 HA -0.00 0.13 0.85 -0.75 4.18 4.40 1gg1A1 ILE 13 HB 0.01 0.00 0.09 -0.04 1.89 1.94 1gg1A1 ILE 13 HG12 -0.00 -0.10 -0.57 -0.04 1.49 0.78 1gg1A1 ILE 13 HG13 0.00 0.03 -0.09 -0.04 1.21 1.10 1gg1A1 ILE 13 HG23 0.01 0.00 -0.11 -0.04 0.93 0.79 1gg1A1 ILE 13 HD13 -0.00 0.03 0.01 -0.04 0.88 0.87 1gg1A1 LYS 14 H 0.00 0.19 0.12 -0.55 8.42 8.18 1gg1A1 LYS 14 HA 0.01 0.19 0.96 -0.75 4.32 4.72 1gg1A1 LYS 14 HB2 0.01 -0.00 0.02 -0.04 1.87 1.85 1gg1A1 LYS 14 HB3 0.02 0.02 0.07 -0.04 1.79 1.86 1gg1A1 LYS 14 HG2 0.02 0.06 -0.11 -0.04 1.46 1.39 1gg1A1 LYS 14 HG3 0.01 -0.12 -0.39 -0.04 1.46 0.92 1gg1A1 LYS 14 HD2 0.03 0.01 -0.07 -0.04 1.69 1.62 1gg1A1 LYS 14 HD3 0.02 0.00 -0.04 -0.04 1.68 1.63 1gg1A1 LYS 14 HE2 0.03 -0.00 0.02 -0.04 2.99 2.99 1gg1A1 LYS 14 HE3 0.03 0.01 0.00 -0.04 2.99 2.99 1gg1A1 GLU 15 H 0.02 0.11 0.15 -0.55 8.60 8.33 1gg1A1 GLU 15 HA 0.03 0.09 0.45 -0.75 4.29 4.10 1gg1A1 LEU 16 H 0.04 0.24 0.18 -0.55 8.37 8.29 1gg1A1 LEU 16 HA 0.02 0.07 0.93 -0.75 4.35 4.62 1gg1A1 LEU 16 HB2 0.02 0.02 -0.08 -0.04 1.64 1.56 1gg1A1 LEU 16 HB3 0.05 0.02 0.07 -0.04 1.64 1.74 1gg1A1 LEU 16 HG 0.10 0.26 -0.30 -0.04 1.64 1.66 1gg1A1 LEU 16 HD13 -0.07 -0.04 -0.04 -0.04 0.93 0.74 1gg1A1 LEU 16 HD23 0.07 -0.02 -0.09 -0.04 0.89 0.81 1gg1A1 LEU 17 H 0.04 0.05 0.10 -0.55 8.37 8.01 1gg1A1 LEU 17 HA 0.06 0.11 0.42 -0.75 4.35 4.18 1gg1A1 LEU 17 HB2 0.09 -0.05 0.09 -0.04 1.64 1.73 1gg1A1 LEU 17 HB3 0.08 0.08 0.01 -0.04 1.64 1.77 1gg1A1 LEU 17 HG 0.03 -0.08 0.04 -0.04 1.64 1.59 1gg1A1 LEU 17 HD13 0.03 0.01 -0.02 -0.04 0.93 0.91 1gg1A1 LEU 17 HD23 0.03 0.02 -0.02 -0.04 0.89 0.87 1gg1A1 PRO 18 HA 0.01 0.15 0.42 -0.51 4.44 4.51 1gg1A1 PRO 18 HB2 -0.11 0.01 -0.03 -0.04 2.28 2.11 1gg1A1 PRO 18 HB3 0.01 0.21 -0.03 -0.04 2.02 2.17 1gg1A1 PRO 18 HG2 -0.02 -0.21 0.04 -0.04 2.03 1.80 1gg1A1 PRO 18 HG3 0.04 0.10 0.07 -0.04 2.03 2.20 1gg1A1 PRO 18 HD2 0.04 0.01 0.22 -0.04 3.68 3.92 1gg1A1 PRO 18 HD3 0.06 0.22 0.22 -0.04 3.65 4.10 1gg1A1 PRO 19 HA -0.77 0.02 0.38 -0.51 4.44 3.56 1gg1A1 PRO 19 HB2 -0.49 0.01 0.17 -0.04 2.28 1.93 1gg1A1 PRO 19 HB3 -0.69 0.13 -0.19 -0.04 2.02 1.23 1gg1A1 PRO 19 HG2 -0.47 0.08 -0.04 -0.04 2.03 1.56 1gg1A1 PRO 19 HG3 -1.57 0.01 -0.03 -0.04 2.03 0.40 1gg1A1 PRO 19 HD2 -0.31 0.15 -0.07 -0.04 3.68 3.41 1gg1A1 PRO 19 HD3 -0.23 0.10 0.12 -0.04 3.65 3.60 1gg1A1 VAL 20 H -0.41 0.59 -0.04 -0.55 8.24 7.83 1gg1A1 VAL 20 HA -0.33 0.05 0.30 -0.75 4.13 3.40 1gg1A1 VAL 20 HB -0.39 0.01 -0.02 -0.04 2.12 1.68 1gg1A1 VAL 20 HG13 -1.29 0.03 -0.09 -0.04 0.97 -0.41 1gg1A1 VAL 20 HG23 -0.24 0.03 -0.05 -0.04 0.95 0.65 1gg1A1 ALA 21 H -0.11 0.34 -0.50 -0.55 8.40 7.59 1gg1A1 ALA 21 HA -0.05 0.05 0.44 -0.75 4.34 4.03 1gg1A1 ALA 21 HB3 0.00 0.04 0.04 -0.04 1.41 1.45 1gg1A1 LEU 22 H 0.00 0.39 -0.11 -0.55 8.37 8.11 1gg1A1 LEU 22 HA 0.07 0.02 0.56 -0.75 4.35 4.25 1gg1A1 LEU 22 HB2 0.16 0.13 0.17 -0.04 1.64 2.06 1gg1A1 LEU 22 HB3 0.19 0.05 0.03 -0.04 1.64 1.87 1gg1A1 LEU 22 HG 0.30 -0.03 -0.05 -0.04 1.64 1.82 1gg1A1 LEU 22 HD13 0.17 0.01 -0.13 -0.04 0.93 0.94 1gg1A1 LEU 22 HD23 0.14 0.02 -0.16 -0.04 0.89 0.85 1gg1A1 LEU 23 H -0.07 0.47 -0.07 -0.55 8.37 8.16 1gg1A1 LEU 23 HA 0.01 0.17 0.29 -0.75 4.35 4.07 1gg1A1 LEU 23 HB2 -0.15 -0.02 0.02 -0.04 1.64 1.45 1gg1A1 LEU 23 HB3 -0.08 -0.03 -0.00 -0.04 1.64 1.49 1gg1A1 LEU 23 HG -0.12 0.09 -0.01 -0.04 1.64 1.57 1gg1A1 LEU 23 HD13 -0.20 -0.02 -0.08 -0.04 0.93 0.59 1gg1A1 LEU 23 HD23 -0.04 0.02 -0.04 -0.04 0.89 0.79 1gg1A1 GLU 24 H -0.08 0.29 -0.47 -0.55 8.60 7.80 1gg1A1 GLU 24 HA -0.06 0.06 0.51 -0.75 4.29 4.05 1gg1A1 GLU 24 HB2 -0.07 0.06 0.16 -0.04 2.09 2.20 1gg1A1 GLU 24 HB3 -0.06 -0.06 -0.06 -0.04 1.99 1.78 1gg1A1 GLU 24 HG2 -0.10 0.03 0.01 -0.04 2.34 2.24 1gg1A1 GLU 24 HG3 -0.05 -0.09 -0.02 -0.04 2.34 2.14 1gg1A1 LYS 25 H -0.13 0.34 -0.13 -0.55 8.42 7.95 1gg1A1 LYS 25 HA -0.24 0.00 0.47 -0.75 4.32 3.79 1gg1A1 LYS 25 HB2 -0.27 0.00 0.15 -0.04 1.87 1.71 1gg1A1 LYS 25 HB3 -0.51 0.02 0.18 -0.04 1.79 1.44 1gg1A1 LYS 25 HG2 -1.56 0.02 -0.16 -0.04 1.46 -0.27 1gg1A1 LYS 25 HG3 -0.46 -0.04 0.05 -0.04 1.46 0.98 1gg1A1 LYS 25 HD2 -0.26 -0.02 0.01 -0.04 1.69 1.37 1gg1A1 LYS 25 HD3 -0.59 -0.02 -0.00 -0.04 1.68 1.03 1gg1A1 LYS 25 HE2 -0.08 -0.06 -0.01 -0.04 2.99 2.79 1gg1A1 LYS 25 HE3 -0.34 0.00 -0.02 -0.04 2.99 2.59 1gg1A1 PHE 26 H -0.03 0.60 -0.16 -0.55 8.34 8.20 1gg1A1 PHE 26 HA -0.01 0.19 0.94 -0.75 4.62 4.99 1gg1A1 PHE 26 HB2 -0.01 0.06 0.15 -0.04 3.15 3.31 1gg1A1 PHE 26 HB3 -0.00 -0.03 0.03 -0.04 3.06 3.01 1gg1A1 PHE 26 HD2 -0.01 0.06 0.01 -0.04 7.28 7.31 1gg1A1 PHE 26 HE2 -0.01 -0.08 0.02 -0.04 7.38 7.27 1gg1A1 PHE 26 HZ -0.01 -0.08 -0.03 -0.04 7.32 7.16 1gg1A1 PRO 27 HA 0.03 0.08 0.56 -0.51 4.44 4.60 1gg1A1 PRO 27 HB2 0.01 -0.02 -0.01 -0.04 2.28 2.22 1gg1A1 PRO 27 HB3 -0.00 0.11 0.11 -0.04 2.02 2.20 1gg1A1 PRO 27 HG2 0.03 -0.09 -0.05 -0.04 2.03 1.87 1gg1A1 PRO 27 HG3 0.00 -0.00 0.01 -0.04 2.03 2.00 1gg1A1 PRO 27 HD2 0.04 0.11 0.03 -0.04 3.68 3.82 1gg1A1 PRO 27 HD3 -0.02 0.38 -0.47 -0.04 3.65 3.50 1gg1A1 ALA 28 H 0.02 0.10 0.14 -0.55 8.40 8.12 1gg1A1 ALA 28 HA 0.03 0.04 0.54 -0.75 4.34 4.20 1gg1A1 ALA 28 HB3 0.02 -0.00 0.05 -0.04 1.41 1.43 1gg1A1 THR 29 H 0.03 0.10 0.20 -0.55 8.28 8.06 1gg1A1 THR 29 HA 0.02 0.17 0.43 -0.75 4.39 4.25 1gg1A1 THR 29 HB 0.02 -0.06 0.20 -0.04 4.32 4.44 1gg1A1 THR 29 HG23 0.03 0.06 0.08 -0.04 1.22 1.35 1gg1A1 GLU 30 H 0.02 0.17 0.18 -0.55 8.60 8.42 1gg1A1 GLU 30 HA 0.01 0.14 0.43 -0.75 4.29 4.12 1gg1A1 ASN 31 H 0.02 0.04 -0.12 -0.55 8.53 7.93 1gg1A1 ASN 31 HA 0.04 0.13 0.46 -0.75 4.76 4.64 1gg1A1 ASN 31 HB2 0.03 -0.06 0.16 -0.04 2.88 2.96 1gg1A1 ASN 31 HB3 0.04 0.20 0.04 -0.04 2.79 3.03 1gg1A1 ASN 31 HD21 0.02 -0.03 0.04 -0.04 7.03 7.02 1gg1A1 ASN 31 HD22 0.02 0.09 0.08 -0.04 7.74 7.88 1gg1A1 ALA 32 H 0.03 -0.04 -0.20 -0.55 8.40 7.64 1gg1A1 ALA 32 HA 0.03 0.18 0.04 -0.75 4.34 3.84 1gg1A1 ALA 32 HB3 0.03 0.03 0.08 -0.04 1.41 1.50 1gg1A1 ALA 33 H 0.01 0.48 -0.34 -0.55 8.40 8.01 1gg1A1 ALA 33 HA -0.00 0.07 0.33 -0.75 4.34 3.98 1gg1A1 ALA 33 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 1gg1A1 ASN 34 H 0.00 0.30 -0.37 -0.55 8.53 7.92 1gg1A1 ASN 34 HA -0.23 0.01 0.53 -0.75 4.76 4.32 1gg1A1 ASN 34 HB2 0.06 0.09 0.23 -0.04 2.88 3.22 1gg1A1 ASN 34 HB3 0.20 -0.03 0.01 -0.04 2.79 2.92 1gg1A1 ASN 34 HD21 0.02 -0.14 -0.01 -0.04 7.03 6.86 1gg1A1 ASN 34 HD22 0.03 0.21 -0.06 -0.04 7.74 7.88 1gg1A1 THR 35 H 0.05 0.68 -0.06 -0.55 8.28 8.40 1gg1A1 THR 35 HA 0.17 0.02 0.38 -0.75 4.39 4.20 1gg1A1 THR 35 HB 0.05 0.10 0.16 -0.04 4.32 4.60 1gg1A1 THR 35 HG23 0.07 0.02 -0.38 -0.04 1.22 0.88 1gg1A1 VAL 36 H 0.03 0.52 -0.13 -0.55 8.24 8.10 1gg1A1 VAL 36 HA 0.06 -0.06 0.32 -0.75 4.13 3.70 1gg1A1 VAL 36 HB 0.01 0.05 0.11 -0.04 2.12 2.25 1gg1A1 VAL 36 HG13 0.04 0.04 -0.22 -0.04 0.97 0.79 1gg1A1 VAL 36 HG23 0.04 0.04 -0.04 -0.04 0.95 0.95 1gg1A1 ALA 37 H -0.07 0.57 -0.10 -0.55 8.40 8.26 1gg1A1 ALA 37 HA -0.03 0.03 0.41 -0.75 4.34 3.99 1gg1A1 ALA 37 HB3 -0.17 -0.00 0.14 -0.04 1.41 1.33 1gg1A1 HIS 38 H -0.18 0.61 -0.14 -0.55 8.41 8.16 1gg1A1 HIS 38 HA 0.03 -0.01 0.41 -0.75 4.63 4.30 1gg1A1 HIS 38 HB2 0.03 0.12 0.14 -0.04 3.26 3.52 1gg1A1 HIS 38 HB3 0.03 -0.06 0.01 -0.04 3.20 3.13 1gg1A1 HIS 38 HD2 0.02 -0.04 0.01 -0.04 6.97 6.92 1gg1A1 HIS 38 HE1 0.02 -0.09 -0.03 -0.04 7.75 7.60 1gg1A1 ALA 39 H 0.12 0.63 -0.02 -0.55 8.40 8.59 1gg1A1 ALA 39 HA 0.09 0.00 0.45 -0.75 4.34 4.12 1gg1A1 ALA 39 HB3 0.09 0.01 0.12 -0.04 1.41 1.59 1gg1A1 ARG 40 H 0.08 0.65 -0.01 -0.55 8.46 8.63 1gg1A1 ARG 40 HA 0.13 0.08 0.48 -0.75 4.34 4.27 1gg1A1 ARG 40 HB2 0.04 0.08 0.20 -0.04 1.90 2.18 1gg1A1 ARG 40 HB3 0.06 -0.03 0.11 -0.04 1.80 1.90 1gg1A1 ARG 40 HG2 0.09 0.04 0.22 -0.04 1.67 1.98 1gg1A1 ARG 40 HG3 0.07 0.06 0.21 -0.04 1.67 1.97 1gg1A1 ARG 40 HD2 0.02 -0.08 -0.05 -0.04 3.22 3.07 1gg1A1 ARG 40 HD3 0.02 0.20 0.09 -0.04 3.22 3.50 1gg1A1 LYS 41 H 0.07 0.55 -0.16 -0.55 8.42 8.33 1gg1A1 LYS 41 HA 0.10 -0.02 0.42 -0.75 4.32 4.06 1gg1A1 ALA 42 H 0.10 0.62 -0.19 -0.55 8.40 8.39 1gg1A1 ALA 42 HA 0.07 -0.02 0.42 -0.75 4.34 4.05 1gg1A1 ALA 42 HB3 0.06 0.02 0.10 -0.04 1.41 1.55 1gg1A1 ILE 43 H 0.10 0.76 0.03 -0.55 8.25 8.59 1gg1A1 ILE 43 HA 0.05 -0.01 0.45 -0.75 4.18 3.92 1gg1A1 ILE 43 HB 0.17 0.15 0.18 -0.04 1.89 2.36 1gg1A1 ILE 43 HG12 0.02 -0.08 -0.02 -0.04 1.49 1.37 1gg1A1 ILE 43 HG13 0.07 0.06 0.03 -0.04 1.21 1.33 1gg1A1 ILE 43 HG23 0.24 -0.02 -0.11 -0.04 0.93 0.99 1gg1A1 ILE 43 HD13 0.14 -0.01 -0.16 -0.04 0.88 0.82 1gg1A1 HIS 44 H 0.20 0.72 -0.13 -0.55 8.41 8.66 1gg1A1 HIS 44 HA 0.07 -0.02 0.37 -0.75 4.63 4.30 1gg1A1 HIS 44 HB2 0.06 0.01 0.10 -0.04 3.26 3.39 1gg1A1 HIS 44 HB3 0.05 0.16 0.19 -0.04 3.20 3.56 1gg1A1 HIS 44 HD2 0.03 0.01 -0.09 -0.04 6.97 6.88 1gg1A1 HIS 44 HE1 0.03 -0.01 -0.05 -0.04 7.75 7.68 1gg1A1 LYS 45 H 0.10 0.56 -0.23 -0.55 8.42 8.30 1gg1A1 LYS 45 HA -0.10 -0.03 0.36 -0.75 4.32 3.79 1gg1A1 ILE 46 H 0.01 0.55 -0.16 -0.55 8.25 8.09 1gg1A1 ILE 46 HA -0.02 0.05 0.50 -0.75 4.18 3.97 1gg1A1 ILE 46 HB -0.00 0.05 0.18 -0.04 1.89 2.07 1gg1A1 ILE 46 HG12 -0.01 0.00 -0.07 -0.04 1.49 1.37 1gg1A1 ILE 46 HG13 0.00 0.19 0.02 -0.04 1.21 1.38 1gg1A1 ILE 46 HG23 -0.03 0.02 -0.02 -0.04 0.93 0.86 1gg1A1 ILE 46 HD13 -0.02 -0.04 -0.24 -0.04 0.88 0.54 1gg1A1 LEU 47 H -0.01 0.61 -0.06 -0.55 8.37 8.36 1gg1A1 LEU 47 HA -0.00 0.03 0.45 -0.75 4.35 4.07 1gg1A1 LEU 47 HB2 0.02 0.08 0.09 -0.04 1.64 1.79 1gg1A1 LEU 47 HB3 0.06 -0.02 -0.00 -0.04 1.64 1.63 1gg1A1 LEU 47 HG 0.08 0.17 -0.02 -0.04 1.64 1.83 1gg1A1 LEU 47 HD13 0.24 -0.03 -0.18 -0.04 0.93 0.91 1gg1A1 LEU 47 HD23 0.02 -0.02 -0.13 -0.04 0.89 0.72 1gg1A1 LYS 48 H -0.15 0.52 -0.25 -0.55 8.42 7.98 1gg1A1 LYS 48 HA -0.07 0.05 0.54 -0.75 4.32 4.09 1gg1A1 GLY 49 H -0.04 0.34 -0.75 -0.55 8.43 7.44 1gg1A1 GLY 49 HA2 -0.02 0.14 0.29 -0.51 4.01 3.91 1gg1A1 GLY 49 HA3 -0.01 -0.00 0.39 -0.51 4.01 3.87 1gg1A1 ASN 50 H -0.04 0.62 -0.03 -0.55 8.53 8.53 1gg1A1 ASN 50 HA -0.01 0.17 0.90 -0.75 4.76 5.07 1gg1A1 ASN 50 HB2 -0.02 0.04 0.03 -0.04 2.88 2.89 1gg1A1 ASN 50 HB3 -0.00 -0.09 0.15 -0.04 2.79 2.81 1gg1A1 ASN 50 HD21 -0.01 -0.02 -0.04 -0.04 7.03 6.92 1gg1A1 ASN 50 HD22 -0.00 -0.06 -0.02 -0.04 7.74 7.61 1gg1A1 ASP 51 H -0.01 0.32 -0.18 -0.55 8.40 7.97 1gg1A1 ASP 51 HA -0.00 0.06 0.62 -0.75 4.63 4.56 1gg1A1 ASP 51 HB2 0.00 0.04 -0.29 -0.04 2.71 2.42 1gg1A1 ASP 51 HB3 -0.01 0.03 -0.11 -0.04 2.70 2.57 1gg1A1 ASP 52 H -0.00 0.12 0.05 -0.55 8.40 8.02 1gg1A1 ASP 52 HA -0.01 0.20 0.54 -0.75 4.63 4.61 1gg1A1 ASP 52 HB2 -0.00 0.06 0.12 -0.04 2.71 2.84 1gg1A1 ASP 52 HB3 -0.00 -0.03 0.05 -0.04 2.70 2.67 1gg1A1 ARG 53 H -0.01 -0.09 -0.50 -0.55 8.46 7.30 1gg1A1 ARG 53 HA -0.01 0.17 0.41 -0.75 4.34 4.15 1gg1A1 ARG 53 HB2 -0.01 -0.05 -0.21 -0.04 1.90 1.59 1gg1A1 ARG 53 HB3 -0.02 -0.07 -0.38 -0.04 1.80 1.30 1gg1A1 ARG 53 HG2 -0.01 0.07 -0.34 -0.04 1.67 1.35 1gg1A1 ARG 53 HG3 -0.01 -0.10 -0.14 -0.04 1.67 1.38 1gg1A1 ARG 53 HD2 -0.01 -0.03 -0.58 -0.04 3.22 2.57 1gg1A1 ARG 53 HD3 -0.01 0.06 -0.21 -0.04 3.22 3.01 1gg1A1 LEU 54 H -0.03 0.42 0.17 -0.55 8.37 8.39 1gg1A1 LEU 54 HA -0.04 0.33 0.84 -0.75 4.35 4.73 1gg1A1 LEU 54 HB2 -0.02 0.10 -0.02 -0.04 1.64 1.66 1gg1A1 LEU 54 HB3 -0.04 -0.08 0.11 -0.04 1.64 1.59 1gg1A1 LEU 54 HG -0.07 0.05 -0.34 -0.04 1.64 1.23 1gg1A1 LEU 54 HD13 -0.02 0.01 -0.29 -0.04 0.93 0.59 1gg1A1 LEU 54 HD23 -0.02 -0.05 -0.15 -0.04 0.89 0.63 1gg1A1 LEU 55 H -0.09 0.61 0.30 -0.55 8.37 8.64 1gg1A1 LEU 55 HA -0.10 0.15 0.62 -0.75 4.35 4.27 1gg1A1 LEU 55 HB2 -0.11 0.05 0.09 -0.04 1.64 1.62 1gg1A1 LEU 55 HB3 -0.17 0.09 0.21 -0.04 1.64 1.73 1gg1A1 LEU 55 HG -0.38 -0.14 -0.39 -0.04 1.64 0.69 1gg1A1 LEU 55 HD13 -0.22 0.03 -0.08 -0.04 0.93 0.62 1gg1A1 LEU 55 HD23 -0.50 -0.01 -0.14 -0.04 0.89 0.19 1gg1A1 VAL 56 H -0.14 0.71 0.27 -0.55 8.24 8.54 1gg1A1 VAL 56 HA -0.21 0.15 1.03 -0.75 4.13 4.35 1gg1A1 VAL 56 HB -0.10 -0.06 0.06 -0.04 2.12 1.98 1gg1A1 VAL 56 HG13 -0.16 -0.04 -0.28 -0.04 0.97 0.45 1gg1A1 VAL 56 HG23 -0.10 0.06 -0.28 -0.04 0.95 0.58 1gg1A1 VAL 57 H -0.31 0.65 0.20 -0.55 8.24 8.23 1gg1A1 VAL 57 HA -0.19 0.30 0.75 -0.75 4.13 4.24 1gg1A1 VAL 57 HB -0.42 -0.03 0.15 -0.04 2.12 1.79 1gg1A1 VAL 57 HG13 -0.07 -0.03 -0.29 -0.04 0.97 0.55 1gg1A1 VAL 57 HG23 -1.09 0.01 -0.21 -0.04 0.95 -0.37 1gg1A1 ILE 58 H -0.06 0.69 0.32 -0.55 8.25 8.65 1gg1A1 ILE 58 HA -0.09 0.28 1.12 -0.75 4.18 4.73 1gg1A1 ILE 58 HB -0.11 -0.03 -0.31 -0.04 1.89 1.40 1gg1A1 ILE 58 HG12 0.10 -0.01 -0.23 -0.04 1.49 1.31 1gg1A1 ILE 58 HG13 -0.04 0.00 -0.03 -0.04 1.21 1.10 1gg1A1 ILE 58 HG23 0.00 0.05 -0.10 -0.04 0.93 0.84 1gg1A1 ILE 58 HD13 -0.08 -0.01 -0.16 -0.04 0.88 0.59 1gg1A1 GLY 59 H -0.08 0.45 0.42 -0.55 8.43 8.68 1gg1A1 GLY 59 HA2 -0.30 0.03 0.35 -0.51 4.01 3.58 1gg1A1 GLY 59 HA3 -0.24 0.13 0.75 -0.51 4.01 4.14 1gg1A1 PRO 60 HA -0.19 0.06 0.42 -0.51 4.44 4.22 1gg1A1 PRO 60 HB2 -0.23 -0.02 -0.18 -0.04 2.28 1.80 1gg1A1 PRO 60 HB3 -0.17 -0.08 0.07 -0.04 2.02 1.81 1gg1A1 PRO 60 HG2 -0.78 -0.05 0.05 -0.04 2.03 1.22 1gg1A1 PRO 60 HG3 -1.27 0.04 0.16 -0.04 2.03 0.91 1gg1A1 PRO 60 HD2 -0.46 0.28 0.21 -0.04 3.68 3.67 1gg1A1 PRO 60 HD3 -1.14 0.10 0.28 -0.04 3.65 2.85 1gg1A1 CYS 61 H -0.06 0.11 0.12 -0.55 8.50 8.12 1gg1A1 CYS 61 HA -0.16 0.11 0.44 -0.75 4.58 4.21 1gg1A1 CYS 61 HB2 -0.05 0.09 0.09 -0.04 2.97 3.06 1gg1A1 CYS 61 HB3 0.00 -0.07 0.16 -0.04 2.97 3.02 1gg1A1 SER 62 H 0.01 0.09 -0.11 -0.55 8.46 7.91 1gg1A1 SER 62 HA 0.05 0.21 0.53 -0.75 4.49 4.53 1gg1A1 SER 62 HB2 0.26 0.07 -0.12 -0.04 3.95 4.12 1gg1A1 SER 62 HB3 0.16 0.10 -0.30 -0.04 3.93 3.84 1gg1A1 ILE 63 H 0.00 0.61 0.16 -0.55 8.25 8.47 1gg1A1 ILE 63 HA 0.03 0.02 0.57 -0.75 4.18 4.05 1gg1A1 ILE 63 HB -0.11 0.05 0.01 -0.04 1.89 1.80 1gg1A1 ILE 63 HG12 -0.24 0.08 -0.07 -0.04 1.49 1.22 1gg1A1 ILE 63 HG13 -0.15 0.01 -0.01 -0.04 1.21 1.02 1gg1A1 ILE 63 HG23 0.11 -0.01 -0.22 -0.04 0.93 0.78 1gg1A1 ILE 63 HD13 -0.29 0.05 -0.09 -0.04 0.88 0.50 1gg1A1 HIS 64 H 0.10 0.03 0.17 -0.55 8.41 8.17 1gg1A1 HIS 64 HA 0.28 0.20 0.73 -0.75 4.63 5.08 1gg1A1 HIS 64 HB2 -0.15 0.06 0.10 -0.04 3.26 3.23 1gg1A1 HIS 64 HB3 0.10 -0.02 -0.28 -0.04 3.20 2.95 1gg1A1 HIS 64 HD2 -0.15 0.05 -0.04 -0.04 6.97 6.78 1gg1A1 HIS 64 HE1 -0.10 0.04 -0.11 -0.04 7.75 7.54 1gg1A1 ASP 65 H -0.12 0.02 0.02 -0.55 8.40 7.77 1gg1A1 ASP 65 HA -0.09 0.27 0.66 -0.75 4.63 4.71 1gg1A1 ASP 65 HB2 -0.42 0.26 -0.02 -0.04 2.71 2.49 1gg1A1 ASP 65 HB3 -0.52 -0.09 0.06 -0.04 2.70 2.11 1gg1A1 PRO 66 HA 0.03 0.09 0.37 -0.51 4.44 4.41 1gg1A1 PRO 66 HB2 0.02 0.05 0.02 -0.04 2.28 2.33 1gg1A1 PRO 66 HB3 0.02 0.12 0.06 -0.04 2.02 2.19 1gg1A1 PRO 66 HG2 0.03 0.11 0.03 -0.04 2.03 2.16 1gg1A1 PRO 66 HG3 0.05 0.06 -0.01 -0.04 2.03 2.09 1gg1A1 PRO 66 HD2 0.01 0.13 0.16 -0.04 3.68 3.95 1gg1A1 PRO 66 HD3 0.03 0.20 0.04 -0.04 3.65 3.87 1gg1A1 VAL 67 H 0.02 0.11 -0.26 -0.55 8.24 7.56 1gg1A1 VAL 67 HA 0.06 0.16 0.40 -0.75 4.13 3.99 1gg1A1 VAL 67 HB 0.17 -0.12 0.11 -0.04 2.12 2.24 1gg1A1 VAL 67 HG13 0.13 0.03 -0.08 -0.04 0.97 1.01 1gg1A1 VAL 67 HG23 0.04 0.03 0.04 -0.04 0.95 1.02 1gg1A1 ALA 68 H 0.01 0.10 -0.01 -0.55 8.40 7.96 1gg1A1 ALA 68 HA 0.01 0.09 0.49 -0.75 4.34 4.18 1gg1A1 ALA 68 HB3 -0.43 0.01 0.16 -0.04 1.41 1.10 1gg1A1 ALA 69 H -0.03 0.41 -0.25 -0.55 8.40 7.99 1gg1A1 ALA 69 HA -0.04 0.01 0.42 -0.75 4.34 3.97 1gg1A1 ALA 69 HB3 -0.03 0.01 0.03 -0.04 1.41 1.38 1gg1A1 LYS 70 H 0.02 0.47 -0.18 -0.55 8.42 8.18 1gg1A1 LYS 70 HA 0.02 0.10 0.54 -0.75 4.32 4.23 1gg1A1 LYS 70 HB2 0.03 0.09 0.20 -0.04 1.87 2.15 1gg1A1 LYS 70 HB3 0.01 -0.01 0.03 -0.04 1.79 1.78 1gg1A1 LYS 70 HG2 0.01 -0.00 0.05 -0.04 1.46 1.48 1gg1A1 LYS 70 HG3 0.02 0.07 0.11 -0.04 1.46 1.62 1gg1A1 LYS 70 HD2 0.02 -0.07 -0.13 -0.04 1.69 1.48 1gg1A1 LYS 70 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.64 1gg1A1 LYS 70 HE2 0.01 -0.05 -0.04 -0.04 2.99 2.87 1gg1A1 LYS 70 HE3 0.01 -0.03 -0.05 -0.04 2.99 2.88 1gg1A1 GLU 71 H 0.04 0.32 -0.15 -0.55 8.60 8.26 1gg1A1 GLU 71 HA -0.04 0.11 0.52 -0.75 4.29 4.12 1gg1A1 GLU 71 HB2 0.06 0.03 0.13 -0.04 2.09 2.27 1gg1A1 GLU 71 HB3 0.05 0.03 0.23 -0.04 1.99 2.27 1gg1A1 GLU 71 HG2 -0.17 -0.03 -0.23 -0.04 2.34 1.87 1gg1A1 GLU 71 HG3 -0.09 0.02 0.03 -0.04 2.34 2.25 1gg1A1 TYR 72 H 0.07 0.62 0.10 -0.55 8.29 8.52 1gg1A1 TYR 72 HA -0.26 -0.03 0.33 -0.75 4.56 3.85 1gg1A1 TYR 72 HB2 -0.11 -0.05 0.15 -0.04 3.06 3.00 1gg1A1 TYR 72 HB3 -0.11 0.13 0.13 -0.04 2.98 3.10 1gg1A1 TYR 72 HD2 0.01 -0.03 -0.23 -0.04 7.15 6.86 1gg1A1 TYR 72 HE2 0.15 0.05 -0.31 -0.04 6.85 6.70 1gg1A1 ALA 73 H 0.08 0.40 -0.55 -0.55 8.40 7.79 1gg1A1 ALA 73 HA 0.10 -0.00 0.33 -0.75 4.34 4.02 1gg1A1 ALA 73 HB3 0.04 0.05 0.11 -0.04 1.41 1.58 1gg1A1 THR 74 H -0.07 0.41 -0.20 -0.55 8.28 7.87 1gg1A1 THR 74 HA -0.05 0.07 0.51 -0.75 4.39 4.18 1gg1A1 THR 74 HB -0.11 -0.01 0.21 -0.04 4.32 4.37 1gg1A1 THR 74 HG23 -0.06 -0.02 -0.03 -0.04 1.22 1.07 1gg1A1 ARG 75 H -0.33 0.60 -0.00 -0.55 8.46 8.17 1gg1A1 ARG 75 HA -0.28 0.02 0.40 -0.75 4.34 3.73 1gg1A1 ARG 75 HB2 -1.47 0.10 0.09 -0.04 1.90 0.57 1gg1A1 ARG 75 HB3 -1.68 -0.06 0.01 -0.04 1.80 0.03 1gg1A1 ARG 75 HG2 -0.53 -0.01 0.00 -0.04 1.67 1.09 1gg1A1 ARG 75 HG3 -0.58 0.10 -0.11 -0.04 1.67 1.05 1gg1A1 ARG 75 HD2 -1.65 -0.03 -0.02 -0.04 3.22 1.48 1gg1A1 ARG 75 HD3 -1.52 -0.01 -0.01 -0.04 3.22 1.64 1gg1A1 LEU 76 H -0.23 0.60 -0.14 -0.55 8.37 8.05 1gg1A1 LEU 76 HA 0.33 -0.02 0.41 -0.75 4.35 4.31 1gg1A1 LEU 76 HB2 -0.01 0.17 0.08 -0.04 1.64 1.84 1gg1A1 LEU 76 HB3 0.08 0.09 -0.11 -0.04 1.64 1.67 1gg1A1 LEU 76 HG 0.19 -0.08 -0.09 -0.04 1.64 1.62 1gg1A1 LEU 76 HD13 0.28 0.02 -0.11 -0.04 0.93 1.07 1gg1A1 LEU 76 HD23 0.09 -0.01 -0.07 -0.04 0.89 0.86 1gg1A1 LEU 77 H -0.01 0.49 -0.25 -0.55 8.37 8.06 1gg1A1 LEU 77 HA 0.03 0.04 0.35 -0.75 4.35 4.01 1gg1A1 LEU 77 HB2 0.01 0.11 0.14 -0.04 1.64 1.86 1gg1A1 LEU 77 HB3 -0.01 0.10 0.16 -0.04 1.64 1.85 1gg1A1 LEU 77 HG 0.01 -0.06 -0.15 -0.04 1.64 1.39 1gg1A1 LEU 77 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.81 1gg1A1 LEU 77 HD23 0.01 0.00 -0.01 -0.04 0.89 0.85 1gg1A1 ALA 78 H 0.01 0.34 -0.38 -0.55 8.40 7.83 1gg1A1 ALA 78 HA 0.02 0.05 0.39 -0.75 4.34 4.04 1gg1A1 ALA 78 HB3 0.03 0.03 0.10 -0.04 1.41 1.53 1gg1A1 LEU 79 H 0.10 0.31 -0.12 -0.55 8.37 8.12 1gg1A1 LEU 79 HA 0.04 -0.01 0.44 -0.75 4.35 4.07 1gg1A1 LEU 79 HB2 0.08 0.14 0.10 -0.04 1.64 1.92 1gg1A1 LEU 79 HB3 0.01 -0.05 0.00 -0.04 1.64 1.57 1gg1A1 LEU 79 HG 0.25 0.14 0.10 -0.04 1.64 2.09 1gg1A1 LEU 79 HD13 0.02 -0.03 -0.06 -0.04 0.93 0.82 1gg1A1 LEU 79 HD23 0.05 -0.02 -0.01 -0.04 0.89 0.88 1gg1A1 ARG 80 H 0.04 0.67 -0.10 -0.55 8.46 8.52 1gg1A1 ARG 80 HA 0.01 -0.04 0.34 -0.75 4.34 3.90 1gg1A1 ARG 80 HB2 0.03 -0.06 0.04 -0.04 1.90 1.87 1gg1A1 ARG 80 HB3 0.02 0.09 0.15 -0.04 1.80 2.03 1gg1A1 ARG 80 HG2 0.01 0.03 -0.23 -0.04 1.67 1.43 1gg1A1 ARG 80 HG3 0.01 -0.10 0.07 -0.04 1.67 1.61 1gg1A1 ARG 80 HD2 0.03 0.16 0.13 -0.04 3.22 3.49 1gg1A1 ARG 80 HD3 0.03 -0.06 0.03 -0.04 3.22 3.18 1gg1A1 GLU 81 H 0.02 0.55 -0.20 -0.55 8.60 8.42 1gg1A1 GLU 81 HA 0.00 0.06 0.46 -0.75 4.29 4.06 1gg1A1 GLU 81 HB2 0.01 0.14 0.20 -0.04 2.09 2.40 1gg1A1 GLU 81 HB3 0.01 -0.07 0.00 -0.04 1.99 1.89 1gg1A1 GLU 81 HG2 0.01 0.05 0.04 -0.04 2.34 2.40 1gg1A1 GLU 81 HG3 0.00 -0.06 0.03 -0.04 2.34 2.27 1gg1A1 GLU 82 H 0.01 0.35 -0.20 -0.55 8.60 8.22 1gg1A1 GLU 82 HA 0.00 0.04 0.52 -0.75 4.29 4.10 1gg1A1 GLU 82 HB2 0.02 0.00 0.11 -0.04 2.09 2.17 1gg1A1 GLU 82 HB3 0.01 -0.01 0.26 -0.04 1.99 2.22 1gg1A1 GLU 82 HG2 0.00 0.02 -0.29 -0.04 2.34 2.03 1gg1A1 GLU 82 HG3 0.01 -0.03 -0.00 -0.04 2.34 2.27 1gg1A1 LEU 83 H 0.00 0.86 0.11 -0.55 8.37 8.80 1gg1A1 LEU 83 HA -0.01 0.08 0.63 -0.75 4.35 4.30 1gg1A1 LEU 83 HB2 -0.01 0.08 0.05 -0.04 1.64 1.71 1gg1A1 LEU 83 HB3 -0.02 -0.07 0.15 -0.04 1.64 1.66 1gg1A1 LEU 83 HG -0.01 0.02 0.05 -0.04 1.64 1.66 1gg1A1 LEU 83 HD13 -0.03 0.01 -0.15 -0.04 0.93 0.71 1gg1A1 LEU 83 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.75 1gg1A1 LYS 84 H -0.00 0.24 -0.82 -0.55 8.42 7.29 1gg1A1 LYS 84 HA -0.01 0.23 0.40 -0.75 4.32 4.19 1gg1A1 ASP 85 H -0.01 0.09 -0.39 -0.55 8.40 7.55 1gg1A1 ASP 85 HA -0.01 0.21 0.78 -0.75 4.63 4.86 1gg1A1 ASP 85 HB2 -0.01 -0.02 0.04 -0.04 2.71 2.69 1gg1A1 ASP 85 HB3 -0.01 0.01 0.05 -0.04 2.70 2.72 1gg1A1 GLU 86 H -0.01 0.33 -0.01 -0.55 8.60 8.36 1gg1A1 GLU 86 HA -0.01 0.22 0.86 -0.75 4.29 4.61 1gg1A1 GLU 86 HB2 -0.01 -0.05 0.09 -0.04 2.09 2.08 1gg1A1 GLU 86 HB3 -0.01 0.00 0.12 -0.04 1.99 2.06 1gg1A1 GLU 86 HG2 -0.01 0.12 -0.01 -0.04 2.34 2.40 1gg1A1 GLU 86 HG3 -0.01 0.10 -0.15 -0.04 2.34 2.24 1gg1A1 LEU 87 H -0.02 0.43 0.14 -0.55 8.37 8.38 1gg1A1 LEU 87 HA -0.03 0.21 0.98 -0.75 4.35 4.75 1gg1A1 LEU 87 HB2 -0.03 -0.01 -0.06 -0.04 1.64 1.50 1gg1A1 LEU 87 HB3 -0.04 -0.03 -0.11 -0.04 1.64 1.42 1gg1A1 LEU 87 HG -0.02 -0.07 -0.24 -0.04 1.64 1.26 1gg1A1 LEU 87 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.80 1gg1A1 LEU 87 HD23 -0.03 0.08 -0.24 -0.04 0.89 0.66 1gg1A1 GLU 88 H -0.05 0.69 0.04 -0.55 8.60 8.74 1gg1A1 GLU 88 HA -0.01 0.18 0.73 -0.75 4.29 4.43 1gg1A1 GLU 88 HB2 -0.02 0.06 -0.16 -0.04 2.09 1.93 1gg1A1 GLU 88 HB3 -0.04 -0.06 0.01 -0.04 1.99 1.86 1gg1A1 GLU 88 HG2 0.00 -0.00 -0.12 -0.04 2.34 2.18 1gg1A1 GLU 88 HG3 -0.01 -0.06 -0.21 -0.04 2.34 2.01 1gg1A1 ILE 89 H -0.02 0.26 -0.06 -0.55 8.25 7.88 1gg1A1 ILE 89 HA -0.06 0.13 0.77 -0.75 4.18 4.27 1gg1A1 ILE 89 HB 0.00 0.00 0.07 -0.04 1.89 1.93 1gg1A1 ILE 89 HG12 -0.05 -0.01 -0.10 -0.04 1.49 1.29 1gg1A1 ILE 89 HG13 -0.03 0.01 -0.25 -0.04 1.21 0.90 1gg1A1 ILE 89 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.68 1gg1A1 ILE 89 HD13 -0.02 -0.01 -0.23 -0.04 0.88 0.59 1gg1A1 VAL 90 H -0.06 0.68 0.33 -0.55 8.24 8.64 1gg1A1 VAL 90 HA 0.02 0.20 0.74 -0.75 4.13 4.34 1gg1A1 VAL 90 HB -0.11 -0.07 -0.13 -0.04 2.12 1.77 1gg1A1 VAL 90 HG13 0.08 -0.02 -0.54 -0.04 0.97 0.46 1gg1A1 VAL 90 HG23 -0.01 0.03 -0.35 -0.04 0.95 0.58 1gg1A1 MET 91 H 0.05 0.68 0.16 -0.55 8.47 8.82 1gg1A1 MET 91 HA 0.06 0.28 0.80 -0.75 4.52 4.91 1gg1A1 MET 91 HB2 0.10 0.01 0.05 -0.04 2.15 2.26 1gg1A1 MET 91 HB3 0.05 0.05 0.10 -0.04 2.03 2.19 1gg1A1 MET 91 HG2 -0.02 0.06 -0.34 -0.04 2.63 2.29 1gg1A1 MET 91 HG3 0.16 -0.00 0.07 -0.04 2.56 2.75 1gg1A1 MET 91 HE3 -0.09 -0.02 0.02 -0.04 2.10 1.97 1gg1A1 ARG 92 H -0.02 0.55 -0.00 -0.55 8.46 8.44 1gg1A1 ARG 92 HA 0.18 0.06 0.40 -0.75 4.34 4.23 1gg1A1 ARG 92 HB2 -0.16 -0.13 -0.20 -0.04 1.90 1.36 1gg1A1 ARG 92 HB3 -0.25 0.04 -0.20 -0.04 1.80 1.34 1gg1A1 ARG 92 HG2 0.04 -0.03 -0.27 -0.04 1.67 1.37 1gg1A1 ARG 92 HG3 -0.07 -0.02 -0.52 -0.04 1.67 1.03 1gg1A1 ARG 92 HD2 -0.15 -0.07 -0.22 -0.04 3.22 2.74 1gg1A1 ARG 92 HD3 -0.18 0.12 -0.08 -0.04 3.22 3.04 1gg1A1 VAL 93 H 0.12 0.87 0.25 -0.55 8.24 8.93 1gg1A1 VAL 93 HA -0.21 0.05 0.74 -0.75 4.13 3.96 1gg1A1 VAL 93 HB -0.12 0.05 0.16 -0.04 2.12 2.17 1gg1A1 VAL 93 HG13 -0.42 -0.03 -0.07 -0.04 0.97 0.41 1gg1A1 VAL 93 HG23 -0.02 0.07 -0.22 -0.04 0.95 0.73 1gg1A1 TYR 94 H 0.03 0.21 -0.19 -0.55 8.29 7.79 1gg1A1 TYR 94 HA -0.23 0.06 0.83 -0.75 4.56 4.46 1gg1A1 TYR 94 HB2 -0.10 0.09 0.05 -0.04 3.06 3.06 1gg1A1 TYR 94 HB3 -0.08 0.02 0.02 -0.04 2.98 2.90 1gg1A1 TYR 94 HD2 -0.05 -0.01 -0.13 -0.04 7.15 6.91 1gg1A1 TYR 94 HE2 0.08 0.02 -0.25 -0.04 6.85 6.66 1gg1A1 PHE 95 H -0.09 0.22 0.26 -0.55 8.34 8.17 1gg1A1 PHE 95 HA -0.03 0.14 0.92 -0.75 4.62 4.89 1gg1A1 PHE 95 HB2 -0.13 0.07 0.06 -0.04 3.15 3.11 1gg1A1 PHE 95 HB3 -0.10 -0.17 0.10 -0.04 3.06 2.86 1gg1A1 PHE 95 HD2 -0.06 -0.02 -0.03 -0.04 7.28 7.13 1gg1A1 PHE 95 HE2 -0.03 0.03 -0.11 -0.04 7.38 7.23 1gg1A1 PHE 95 HZ -0.04 0.07 -0.05 -0.04 7.32 7.26 1gg1A1 GLU 96 H -0.04 0.14 0.12 -0.55 8.60 8.27 1gg1A1 GLU 96 HA -0.14 0.31 1.12 -0.75 4.29 4.83 1gg1A1 GLU 96 HB2 -0.07 0.01 -0.04 -0.04 2.09 1.95 1gg1A1 GLU 96 HB3 -0.09 0.01 0.09 -0.04 1.99 1.96 1gg1A1 GLU 96 HG2 -0.05 -0.14 -0.09 -0.04 2.34 2.01 1gg1A1 GLU 96 HG3 -0.13 0.24 0.20 -0.04 2.34 2.60 1gg1A1 LYS 97 H -0.18 0.88 0.17 -0.55 8.42 8.74 1gg1A1 LYS 97 HA 0.01 0.21 0.95 -0.75 4.32 4.73 1gg1A1 LYS 97 HB2 -0.12 -0.00 -0.14 -0.04 1.87 1.56 1gg1A1 LYS 97 HB3 0.03 0.07 -0.17 -0.04 1.79 1.68 1gg1A1 LYS 97 HG2 -0.00 -0.07 -0.60 -0.04 1.46 0.75 1gg1A1 LYS 97 HG3 0.00 -0.08 -0.29 -0.04 1.46 1.05 1gg1A1 LYS 97 HD2 0.12 -0.03 -0.27 -0.04 1.69 1.47 1gg1A1 LYS 97 HD3 0.11 -0.04 -0.14 -0.04 1.68 1.57 1gg1A1 LYS 97 HE2 0.10 0.03 0.02 -0.04 2.99 3.10 1gg1A1 LYS 97 HE3 0.17 0.05 -0.05 -0.04 2.99 3.11 1gg1A1 PRO 98 HA -0.02 0.08 0.53 -0.51 4.44 4.51 1gg1A1 PRO 98 HB2 -0.02 0.08 -0.06 -0.04 2.28 2.23 1gg1A1 PRO 98 HB3 -0.03 0.01 0.00 -0.04 2.02 1.96 1gg1A1 PRO 98 HG2 0.00 0.02 0.07 -0.04 2.03 2.09 1gg1A1 PRO 98 HG3 -0.02 -0.06 0.02 -0.04 2.03 1.93 1gg1A1 PRO 98 HD2 0.04 0.09 0.20 -0.04 3.68 3.97 1gg1A1 PRO 98 HD3 -0.00 0.15 0.06 -0.04 3.65 3.82 1gg1A1 ARG 99 H 0.00 0.17 0.07 -0.55 8.46 8.15 1gg1A1 ARG 99 HA 0.03 0.17 0.79 -0.75 4.34 4.58 1gg1A1 ARG 99 HB2 0.02 0.09 -0.24 -0.04 1.90 1.74 1gg1A1 ARG 99 HB3 0.04 -0.09 -0.31 -0.04 1.80 1.40 1gg1A1 ARG 99 HG2 0.02 0.10 -0.42 -0.04 1.67 1.34 1gg1A1 ARG 99 HG3 0.07 -0.09 -0.57 -0.04 1.67 1.04 1gg1A1 ARG 99 HD2 0.06 -0.09 -0.10 -0.04 3.22 3.06 1gg1A1 ARG 99 HD3 0.05 0.10 -0.59 -0.04 3.22 2.74 1gg1A1 THR 100 H 0.03 0.14 0.05 -0.55 8.28 7.95 1gg1A1 THR 100 HA 0.02 0.08 0.38 -0.75 4.39 4.11 1gg1A1 THR 100 HB 0.03 -0.03 0.06 -0.04 4.32 4.34 1gg1A1 THR 100 HG23 0.02 0.01 -0.05 -0.04 1.22 1.16 1gg1A1 THR 101 H 0.03 0.01 -0.34 -0.55 8.28 7.43 1gg1A1 THR 101 HA 0.02 0.20 0.61 -0.75 4.39 4.46 1gg1A1 THR 101 HB 0.02 0.02 0.07 -0.04 4.32 4.39 1gg1A1 THR 101 HG23 0.02 0.03 -0.05 -0.04 1.22 1.17 1gg1A1 VAL 102 H 0.04 0.16 0.14 -0.55 8.24 8.02 1gg1A1 VAL 102 HA 0.04 0.26 0.87 -0.75 4.13 4.55 1gg1A1 GLY 103 H 0.09 0.23 0.16 -0.55 8.43 8.37 1gg1A1 GLY 103 HA2 0.12 0.03 0.29 -0.51 4.01 3.94 1gg1A1 GLY 103 HA3 0.11 0.19 0.78 -0.51 4.01 4.58 1gg1A1 TRP 104 H 0.31 0.15 0.12 -0.55 7.97 8.00 1gg1A1 TRP 104 HA 0.05 0.00 0.47 -0.75 4.62 4.38 1gg1A1 TRP 104 HB2 0.00 0.05 0.14 -0.04 3.23 3.38 1gg1A1 TRP 104 HB3 0.01 0.04 0.13 -0.04 3.23 3.37 1gg1A1 TRP 104 HD1 -0.03 -0.05 0.04 -0.04 7.22 7.14 1gg1A1 TRP 104 HE1 -0.01 0.40 0.06 -0.04 10.20 10.60 1gg1A1 TRP 104 HE3 0.01 0.04 -0.15 -0.04 7.59 7.45 1gg1A1 TRP 104 HZ2 0.06 0.09 -0.32 -0.04 7.44 7.24 1gg1A1 TRP 104 HZ3 0.02 -0.02 -0.21 -0.04 7.13 6.87 1gg1A1 TRP 104 HH2 0.11 0.19 -0.12 -0.04 7.19 7.33 1gg1A1 LYS 105 H -0.28 0.11 0.20 -0.55 8.42 7.89 1gg1A1 LYS 105 HA -0.20 0.37 0.66 -0.75 4.32 4.40 1gg1A1 LYS 105 HB2 -0.17 -0.07 0.09 -0.04 1.87 1.68 1gg1A1 LYS 105 HB3 -0.16 -0.06 0.17 -0.04 1.79 1.71 1gg1A1 LYS 105 HG2 -0.05 0.07 0.02 -0.04 1.46 1.46 1gg1A1 LYS 105 HG3 -0.01 0.11 0.05 -0.04 1.46 1.57 1gg1A1 LYS 105 HD2 -0.02 -0.03 0.03 -0.04 1.69 1.63 1gg1A1 LYS 105 HD3 -0.05 -0.04 0.02 -0.04 1.68 1.58 1gg1A1 LYS 105 HE2 -0.01 0.03 0.03 -0.04 2.99 2.99 1gg1A1 LYS 105 HE3 0.02 0.02 0.04 -0.04 2.99 3.02 1gg1A1 GLY 106 H -2.38 0.05 -0.25 -0.55 8.43 5.30 1gg1A1 GLY 106 HA2 -1.96 0.08 0.16 -0.51 4.01 1.78 1gg1A1 GLY 106 HA3 -0.63 0.34 0.91 -0.51 4.01 4.12 1gg1A1 LEU 107 H -0.06 0.27 0.18 -0.55 8.37 8.22 1gg1A1 LEU 107 HA 0.36 0.07 0.25 -0.75 4.35 4.27 1gg1A1 LEU 107 HB2 0.40 0.25 0.16 -0.04 1.64 2.42 1gg1A1 LEU 107 HB3 0.34 -0.02 0.14 -0.04 1.64 2.05 1gg1A1 LEU 107 HG 0.17 -0.03 0.03 -0.04 1.64 1.77 1gg1A1 LEU 107 HD13 0.26 -0.02 -0.22 -0.04 0.93 0.91 1gg1A1 LEU 107 HD23 -0.09 -0.02 -0.23 -0.04 0.89 0.51 1gg1A1 ILE 108 H -0.07 0.31 -0.07 -0.55 8.25 7.87 1gg1A1 ILE 108 HA -0.14 0.05 0.37 -0.75 4.18 3.69 1gg1A1 ILE 108 HB -0.12 -0.01 0.00 -0.04 1.89 1.72 1gg1A1 ILE 108 HG12 -0.34 0.11 -0.17 -0.04 1.49 1.05 1gg1A1 ILE 108 HG13 -0.18 -0.06 -0.00 -0.04 1.21 0.93 1gg1A1 ILE 108 HG23 -0.18 0.00 -0.19 -0.04 0.93 0.52 1gg1A1 ILE 108 HD13 -0.22 0.01 -0.09 -0.04 0.88 0.54 1gg1A1 ASN 109 H -0.16 0.13 -0.31 -0.55 8.53 7.65 1gg1A1 ASN 109 HA -0.02 0.09 0.33 -0.75 4.76 4.40 1gg1A1 ASN 109 HB2 -0.12 0.01 -0.02 -0.04 2.88 2.72 1gg1A1 ASN 109 HB3 -0.17 -0.03 -0.10 -0.04 2.79 2.45 1gg1A1 ASN 109 HD21 -0.04 0.04 0.03 -0.04 7.03 7.02 1gg1A1 ASN 109 HD22 -0.04 -0.02 0.00 -0.04 7.74 7.65 1gg1A1 ASP 110 H -0.06 0.44 -0.44 -0.55 8.40 7.80 1gg1A1 ASP 110 HA -0.04 -0.05 0.47 -0.75 4.63 4.26 1gg1A1 ASP 110 HB2 -0.09 0.17 -0.19 -0.04 2.71 2.56 1gg1A1 ASP 110 HB3 0.19 0.05 0.09 -0.04 2.70 2.99 1gg1A1 PRO 111 HA 0.20 0.05 0.52 -0.51 4.44 4.70 1gg1A1 PRO 111 HB2 -0.07 0.02 -0.04 -0.04 2.28 2.14 1gg1A1 PRO 111 HB3 -0.04 0.13 0.14 -0.04 2.02 2.21 1gg1A1 PRO 111 HG2 -0.63 -0.16 0.06 -0.04 2.03 1.26 1gg1A1 PRO 111 HG3 -0.24 0.09 0.03 -0.04 2.03 1.88 1gg1A1 PRO 111 HD2 -0.11 -0.11 -0.18 -0.04 3.68 3.24 1gg1A1 PRO 111 HD3 -0.07 0.42 -0.09 -0.04 3.65 3.86 1gg1A1 HIS 112 H -0.19 0.02 -0.23 -0.55 8.41 7.47 1gg1A1 HIS 112 HA 0.02 0.21 0.49 -0.75 4.63 4.59 1gg1A1 HIS 112 HB2 -0.01 -0.16 -0.01 -0.04 3.26 3.05 1gg1A1 HIS 112 HB3 -0.01 0.11 0.12 -0.04 3.20 3.38 1gg1A1 HIS 112 HD2 0.02 0.08 -0.18 -0.04 6.97 6.85 1gg1A1 HIS 112 HE1 0.01 0.03 0.01 -0.04 7.75 7.76 1gg1A1 MET 113 H 0.20 0.45 -0.74 -0.55 8.47 7.83 1gg1A1 MET 113 HA 0.10 -0.01 0.30 -0.75 4.52 4.17 1gg1A1 MET 113 HB2 -0.13 0.12 -0.17 -0.04 2.15 1.93 1gg1A1 MET 113 HB3 -0.42 -0.05 0.19 -0.04 2.03 1.72 1gg1A1 MET 113 HG2 -0.78 -0.09 0.03 -0.04 2.63 1.75 1gg1A1 MET 113 HG3 0.03 0.21 -0.05 -0.04 2.56 2.71 1gg1A1 MET 113 HE3 0.07 0.01 0.06 -0.04 2.10 2.20 1gg1A1 ASP 114 H 0.00 -0.17 -0.62 -0.55 8.40 7.07 1gg1A1 ASP 114 HA -0.04 0.27 0.87 -0.75 4.63 4.97 1gg1A1 ASP 114 HB2 -0.02 0.02 0.15 -0.04 2.71 2.82 1gg1A1 ASP 114 HB3 -0.01 0.16 -0.04 -0.04 2.70 2.77 1gg1A1 ASN 115 H -0.15 0.06 -0.12 -0.55 8.53 7.78 1gg1A1 ASN 115 HA -0.98 -0.05 0.32 -0.75 4.76 3.29 1gg1A1 ASN 115 HB2 -0.06 0.15 -0.33 -0.04 2.88 2.59 1gg1A1 ASN 115 HB3 -0.04 0.06 0.24 -0.04 2.79 3.00 1gg1A1 ASN 115 HD21 0.16 -0.03 -0.04 -0.04 7.03 7.08 1gg1A1 ASN 115 HD22 0.13 0.06 -0.01 -0.04 7.74 7.87 1gg1A1 SER 116 H -0.30 -0.14 -0.16 -0.55 8.46 7.31 1gg1A1 SER 116 HA 0.01 0.30 0.75 -0.75 4.49 4.80 1gg1A1 SER 116 HB2 0.07 0.06 0.07 -0.04 3.95 4.10 1gg1A1 SER 116 HB3 0.02 0.15 -0.10 -0.04 3.93 3.96 1gg1A1 PHE 117 H -0.69 -0.13 0.01 -0.55 8.34 6.98 1gg1A1 PHE 117 HA -0.01 0.21 0.50 -0.75 4.62 4.57 1gg1A1 PHE 117 HB2 0.00 0.08 -0.01 -0.04 3.15 3.18 1gg1A1 PHE 117 HB3 -0.02 0.05 0.23 -0.04 3.06 3.28 1gg1A1 PHE 117 HD2 0.00 0.13 -0.17 -0.04 7.28 7.20 1gg1A1 PHE 117 HE2 0.03 0.05 -0.03 -0.04 7.38 7.39 1gg1A1 PHE 117 HZ 0.04 0.02 -0.01 -0.04 7.32 7.34 1gg1A1 GLN 118 H -0.07 -0.07 -0.27 -0.55 8.47 7.52 1gg1A1 GLN 118 HA 0.02 0.18 0.61 -0.75 4.36 4.42 1gg1A1 GLN 118 HB2 -0.31 -0.09 0.16 -0.04 2.15 1.87 1gg1A1 GLN 118 HB3 -0.03 -0.05 0.16 -0.04 2.02 2.06 1gg1A1 GLN 118 HG2 0.06 -0.03 -0.14 -0.04 2.40 2.26 1gg1A1 GLN 118 HG3 0.21 0.01 0.01 -0.04 2.39 2.58 1gg1A1 GLN 118 HE21 0.07 -0.01 0.01 -0.04 6.97 7.00 1gg1A1 GLN 118 HE22 0.08 0.26 0.01 -0.04 7.69 8.00 1gg1A1 ILE 119 H 0.03 0.71 0.08 -0.55 8.25 8.51 1gg1A1 ILE 119 HA -0.06 0.38 0.40 -0.75 4.18 4.15 1gg1A1 ILE 119 HB -0.02 0.01 0.12 -0.04 1.89 1.96 1gg1A1 ILE 119 HG12 0.01 0.00 0.07 -0.04 1.49 1.52 1gg1A1 ILE 119 HG13 0.07 0.24 0.09 -0.04 1.21 1.57 1gg1A1 ILE 119 HG23 -0.11 -0.01 -0.13 -0.04 0.93 0.64 1gg1A1 ILE 119 HD13 -0.02 -0.02 0.04 -0.04 0.88 0.84 1gg1A1 ASN 120 H -0.02 0.16 -0.08 -0.55 8.53 8.04 1gg1A1 ASN 120 HA -0.06 0.09 0.45 -0.75 4.76 4.49 1gg1A1 ASN 120 HB2 0.00 -0.01 0.09 -0.04 2.88 2.92 1gg1A1 ASN 120 HB3 0.00 0.05 0.03 -0.04 2.79 2.84 1gg1A1 ASN 120 HD21 0.01 0.48 0.19 -0.04 7.03 7.67 1gg1A1 ASN 120 HD22 0.01 -0.06 0.09 -0.04 7.74 7.74 1gg1A1 ASP 121 H -0.03 0.12 -0.27 -0.55 8.40 7.68 1gg1A1 ASP 121 HA 0.01 0.08 0.47 -0.75 4.63 4.43 1gg1A1 ASP 121 HB2 -0.10 0.16 0.17 -0.04 2.71 2.89 1gg1A1 ASP 121 HB3 -0.02 -0.02 0.00 -0.04 2.70 2.63 1gg1A1 GLY 122 H -0.10 0.51 -0.02 -0.55 8.43 8.28 1gg1A1 GLY 122 HA2 -0.10 -0.03 0.37 -0.51 4.01 3.74 1gg1A1 GLY 122 HA3 -0.12 0.24 0.44 -0.51 4.01 4.06 1gg1A1 LEU 123 H -0.14 0.58 -0.22 -0.55 8.37 8.04 1gg1A1 LEU 123 HA -0.25 -0.03 0.44 -0.75 4.35 3.75 1gg1A1 LEU 123 HB2 -0.15 0.15 0.14 -0.04 1.64 1.75 1gg1A1 LEU 123 HB3 -0.18 0.01 -0.02 -0.04 1.64 1.40 1gg1A1 LEU 123 HG -0.29 0.09 0.02 -0.04 1.64 1.43 1gg1A1 LEU 123 HD13 -0.67 -0.02 -0.06 -0.04 0.93 0.15 1gg1A1 LEU 123 HD23 -0.47 -0.03 -0.03 -0.04 0.89 0.32 1gg1A1 ARG 124 H -0.03 0.37 -0.16 -0.55 8.46 8.08 1gg1A1 ARG 124 HA 0.19 0.08 0.47 -0.75 4.34 4.32 1gg1A1 ARG 124 HB2 0.06 0.05 0.21 -0.04 1.90 2.19 1gg1A1 ARG 124 HB3 0.22 -0.02 -0.01 -0.04 1.80 1.96 1gg1A1 ARG 124 HG2 0.19 0.01 0.03 -0.04 1.67 1.85 1gg1A1 ARG 124 HG3 0.09 0.06 0.08 -0.04 1.67 1.85 1gg1A1 ARG 124 HD2 0.04 -0.06 -0.03 -0.04 3.22 3.14 1gg1A1 ARG 124 HD3 0.08 -0.02 0.00 -0.04 3.22 3.25 1gg1A1 ILE 125 H -0.07 0.70 -0.03 -0.55 8.25 8.30 1gg1A1 ILE 125 HA -0.10 0.03 0.42 -0.75 4.18 3.77 1gg1A1 ILE 125 HB -0.09 0.08 0.11 -0.04 1.89 1.95 1gg1A1 ILE 125 HG12 0.01 -0.04 0.01 -0.04 1.49 1.43 1gg1A1 ILE 125 HG13 -0.00 0.14 0.08 -0.04 1.21 1.38 1gg1A1 ILE 125 HG23 -0.01 -0.03 -0.17 -0.04 0.93 0.69 1gg1A1 ILE 125 HD13 0.03 -0.03 -0.10 -0.04 0.88 0.74 1gg1A1 ALA 126 H -0.29 0.69 -0.13 -0.55 8.40 8.12 1gg1A1 ALA 126 HA -0.62 -0.05 0.35 -0.75 4.34 3.26 1gg1A1 ALA 126 HB3 -1.09 -0.01 0.04 -0.04 1.41 0.31 1gg1A1 ARG 127 H -0.26 0.60 -0.12 -0.55 8.46 8.13 1gg1A1 ARG 127 HA -0.13 0.03 0.40 -0.75 4.34 3.89 1gg1A1 ARG 127 HB2 -0.05 0.02 0.12 -0.04 1.90 1.95 1gg1A1 ARG 127 HB3 -0.15 0.04 0.09 -0.04 1.80 1.74 1gg1A1 ARG 127 HG2 -0.05 -0.06 -0.02 -0.04 1.67 1.51 1gg1A1 ARG 127 HG3 -0.00 -0.01 0.10 -0.04 1.67 1.72 1gg1A1 ARG 127 HD2 0.10 0.04 -0.02 -0.04 3.22 3.30 1gg1A1 ARG 127 HD3 0.24 -0.01 -0.04 -0.04 3.22 3.37 1gg1A1 LYS 128 H -0.48 0.48 -0.25 -0.55 8.42 7.60 1gg1A1 LYS 128 HA -0.64 0.08 0.43 -0.75 4.32 3.44 1gg1A1 LYS 128 HB2 -1.17 0.09 0.13 -0.04 1.87 0.88 1gg1A1 LYS 128 HB3 -0.34 0.03 0.18 -0.04 1.79 1.62 1gg1A1 LYS 128 HG2 -0.14 -0.06 -0.19 -0.04 1.46 1.03 1gg1A1 LYS 128 HG3 -0.24 0.01 0.04 -0.04 1.46 1.23 1gg1A1 LYS 128 HD2 0.06 0.03 -0.02 -0.04 1.69 1.72 1gg1A1 LYS 128 HD3 -0.06 -0.04 -0.03 -0.04 1.68 1.51 1gg1A1 LYS 128 HE2 0.06 0.03 -0.02 -0.04 2.99 3.03 1gg1A1 LYS 128 HE3 0.07 -0.02 -0.02 -0.04 2.99 2.98 1gg1A1 LEU 129 H -0.15 0.63 -0.05 -0.55 8.37 8.26 1gg1A1 LEU 129 HA -0.02 -0.00 0.46 -0.75 4.35 4.04 1gg1A1 LEU 129 HB2 0.02 -0.04 0.11 -0.04 1.64 1.69 1gg1A1 LEU 129 HB3 0.12 0.14 0.12 -0.04 1.64 1.97 1gg1A1 LEU 129 HG 0.11 0.06 -0.24 -0.04 1.64 1.53 1gg1A1 LEU 129 HD13 0.03 -0.03 0.04 -0.04 0.93 0.93 1gg1A1 LEU 129 HD23 0.17 -0.04 -0.09 -0.04 0.89 0.89 1gg1A1 LEU 130 H -0.00 0.48 -0.27 -0.55 8.37 8.03 1gg1A1 LEU 130 HA 0.09 0.00 0.47 -0.75 4.35 4.16 1gg1A1 LEU 130 HB2 0.22 0.03 0.09 -0.04 1.64 1.94 1gg1A1 LEU 130 HB3 0.03 0.10 0.11 -0.04 1.64 1.84 1gg1A1 LEU 130 HG 0.07 0.07 -0.05 -0.04 1.64 1.68 1gg1A1 LEU 130 HD13 0.12 -0.02 -0.01 -0.04 0.93 0.98 1gg1A1 LEU 130 HD23 0.11 -0.01 -0.12 -0.04 0.89 0.83 1gg1A1 LEU 131 H -0.06 0.59 -0.15 -0.55 8.37 8.21 1gg1A1 LEU 131 HA 0.01 0.02 0.50 -0.75 4.35 4.12 1gg1A1 LEU 131 HB2 -0.03 0.12 0.11 -0.04 1.64 1.80 1gg1A1 LEU 131 HB3 -0.08 0.07 0.21 -0.04 1.64 1.81 1gg1A1 LEU 131 HG 0.02 -0.09 -0.16 -0.04 1.64 1.37 1gg1A1 LEU 131 HD13 0.03 -0.06 0.08 -0.04 0.93 0.94 1gg1A1 LEU 131 HD23 0.09 0.03 -0.07 -0.04 0.89 0.91 1gg1A1 ASP 132 H -0.03 0.55 -0.13 -0.55 8.40 8.25 1gg1A1 ASP 132 HA 0.01 -0.01 0.38 -0.75 4.63 4.26 1gg1A1 ASP 132 HB2 -0.00 0.07 0.22 -0.04 2.71 2.96 1gg1A1 ASP 132 HB3 0.01 -0.05 0.02 -0.04 2.70 2.63 1gg1A1 ILE 133 H 0.02 0.53 -0.06 -0.55 8.25 8.19 1gg1A1 ILE 133 HA 0.03 -0.04 0.36 -0.75 4.18 3.78 1gg1A1 ILE 133 HB 0.04 0.07 0.15 -0.04 1.89 2.11 1gg1A1 ILE 133 HG12 0.03 -0.07 0.05 -0.04 1.49 1.46 1gg1A1 ILE 133 HG13 0.03 0.18 0.15 -0.04 1.21 1.53 1gg1A1 ILE 133 HG23 0.04 0.04 -0.10 -0.04 0.93 0.87 1gg1A1 ILE 133 HD13 0.03 -0.05 -0.08 -0.04 0.88 0.74 1gg1A1 ASN 134 H 0.03 0.47 -0.21 -0.55 8.53 8.28 1gg1A1 ASN 134 HA 0.04 0.24 0.41 -0.75 4.76 4.70 1gg1A1 ASN 134 HB2 0.03 0.13 0.25 -0.04 2.88 3.25 1gg1A1 ASN 134 HB3 0.04 -0.12 0.06 -0.04 2.79 2.72 1gg1A1 ASN 134 HD21 0.06 0.18 0.18 -0.04 7.03 7.40 1gg1A1 ASN 134 HD22 0.05 0.37 0.18 -0.04 7.74 8.29 1gg1A1 ASP 135 H 0.03 0.70 -0.09 -0.55 8.40 8.49 1gg1A1 ASP 135 HA 0.03 -0.19 0.31 -0.75 4.63 4.03 1gg1A1 ASP 135 HB2 0.02 0.00 0.17 -0.04 2.71 2.86 1gg1A1 ASP 135 HB3 0.02 0.17 0.16 -0.04 2.70 3.01 1gg1A1 SER 136 H 0.02 0.45 -0.34 -0.55 8.46 8.05 1gg1A1 SER 136 HA 0.02 0.01 0.51 -0.75 4.49 4.28 1gg1A1 SER 136 HB2 0.01 -0.08 0.11 -0.04 3.95 3.95 1gg1A1 SER 136 HB3 0.02 -0.00 0.09 -0.04 3.93 3.99 1gg1A1 GLY 137 H 0.04 0.51 -0.32 -0.55 8.43 8.11 1gg1A1 GLY 137 HA2 0.05 -0.00 0.26 -0.51 4.01 3.81 1gg1A1 GLY 137 HA3 0.03 0.13 0.80 -0.51 4.01 4.47 1gg1A1 LEU 138 H 0.04 0.25 -0.02 -0.55 8.37 8.10 1gg1A1 LEU 138 HA 0.04 0.19 0.76 -0.75 4.35 4.59 1gg1A1 LEU 138 HB2 0.03 -0.02 0.01 -0.04 1.64 1.62 1gg1A1 LEU 138 HB3 0.04 0.03 0.11 -0.04 1.64 1.78 1gg1A1 LEU 138 HG 0.05 0.09 -0.19 -0.04 1.64 1.55 1gg1A1 LEU 138 HD13 0.05 0.00 -0.04 -0.04 0.93 0.90 1gg1A1 LEU 138 HD23 0.06 0.00 0.04 -0.04 0.89 0.95 1gg1A1 PRO 139 HA 0.07 0.08 0.44 -0.51 4.44 4.51 1gg1A1 PRO 139 HB2 0.06 -0.06 -0.01 -0.04 2.28 2.23 1gg1A1 PRO 139 HB3 0.08 0.02 0.06 -0.04 2.02 2.13 1gg1A1 PRO 139 HG2 0.05 0.06 0.06 -0.04 2.03 2.16 1gg1A1 PRO 139 HG3 0.07 0.09 0.02 -0.04 2.03 2.17 1gg1A1 PRO 139 HD2 0.04 0.19 0.32 -0.04 3.68 4.18 1gg1A1 PRO 139 HD3 0.04 0.36 0.39 -0.04 3.65 4.40 1gg1A1 ALA 140 H 0.09 0.17 0.22 -0.55 8.40 8.33 1gg1A1 ALA 140 HA 0.07 0.27 1.08 -0.75 4.34 5.01 1gg1A1 ALA 140 HB3 0.05 0.05 0.06 -0.04 1.41 1.53 1gg1A1 ALA 141 H 0.11 0.53 0.35 -0.55 8.40 8.85 1gg1A1 ALA 141 HA 0.30 0.39 0.96 -0.75 4.34 5.23 1gg1A1 ALA 141 HB3 0.44 -0.02 -0.25 -0.04 1.41 1.54 1gg1A1 GLY 142 H 0.04 0.49 0.30 -0.55 8.43 8.71 1gg1A1 GLY 142 HA2 -0.88 0.02 0.49 -0.51 4.01 3.13 1gg1A1 GLY 142 HA3 -0.43 0.09 0.26 -0.51 4.01 3.43 1gg1A1 GLU 143 H -1.13 0.08 0.17 -0.55 8.60 7.18 1gg1A1 GLU 143 HA -0.28 0.21 0.93 -0.75 4.29 4.40 1gg1A1 GLU 143 HB2 -0.19 -0.02 0.04 -0.04 2.09 1.87 1gg1A1 GLU 143 HB3 -0.23 0.03 0.17 -0.04 1.99 1.92 1gg1A1 GLU 143 HG2 -0.08 0.02 -0.45 -0.04 2.34 1.80 1gg1A1 GLU 143 HG3 -0.08 0.12 -0.18 -0.04 2.34 2.16 1gg1A1 PHE 144 H 0.12 0.60 0.24 -0.55 8.34 8.75 1gg1A1 PHE 144 HA -0.10 0.01 0.73 -0.75 4.62 4.52 1gg1A1 PHE 144 HB2 -0.15 0.08 0.14 -0.04 3.15 3.18 1gg1A1 PHE 144 HB3 -0.09 0.04 -0.02 -0.04 3.06 2.95 1gg1A1 PHE 144 HD2 -0.18 -0.01 -0.02 -0.04 7.28 7.03 1gg1A1 PHE 144 HE2 -0.13 -0.00 -0.08 -0.04 7.38 7.13 1gg1A1 PHE 144 HZ -0.07 0.07 -0.13 -0.04 7.32 7.15 1gg1A1 LEU 145 H -0.03 0.08 0.07 -0.55 8.37 7.95 1gg1A1 LEU 145 HA 0.13 0.19 0.81 -0.75 4.35 4.73 1gg1A1 LEU 145 HB2 -0.02 0.01 -0.12 -0.04 1.64 1.46 1gg1A1 LEU 145 HB3 -0.02 -0.08 0.04 -0.04 1.64 1.53 1gg1A1 LEU 145 HG 0.03 -0.00 -0.31 -0.04 1.64 1.32 1gg1A1 LEU 145 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.85 1gg1A1 LEU 145 HD23 -0.03 -0.00 -0.22 -0.04 0.89 0.60 1gg1A1 ASP 146 H 0.01 -0.02 0.11 -0.55 8.40 7.96 1gg1A1 ASP 146 HA 0.02 0.15 0.57 -0.75 4.63 4.62 1gg1A1 ASP 146 HB2 -0.02 0.06 0.09 -0.04 2.71 2.79 1gg1A1 ASP 146 HB3 -0.01 -0.05 0.10 -0.04 2.70 2.70 1gg1A1 MET 147 H -0.01 0.14 0.16 -0.55 8.47 8.21 1gg1A1 MET 147 HA -0.03 0.24 0.55 -0.75 4.52 4.52 1gg1A1 MET 147 HB2 -0.01 -0.05 0.05 -0.04 2.15 2.10 1gg1A1 MET 147 HB3 -0.01 0.07 0.08 -0.04 2.03 2.13 1gg1A1 MET 147 HG2 -0.12 -0.05 0.01 -0.04 2.63 2.43 1gg1A1 MET 147 HG3 -0.10 0.01 0.00 -0.04 2.56 2.44 1gg1A1 MET 147 HE3 -0.13 0.02 0.04 -0.04 2.10 1.99 1gg1A1 ILE 148 H 0.02 -0.09 -0.10 -0.55 8.25 7.54 1gg1A1 ILE 148 HA 0.08 0.30 0.93 -0.75 4.18 4.74 1gg1A1 ILE 148 HB 0.04 -0.06 0.04 -0.04 1.89 1.87 1gg1A1 ILE 148 HG12 0.06 0.07 -0.10 -0.04 1.49 1.47 1gg1A1 ILE 148 HG13 0.03 -0.13 -0.23 -0.04 1.21 0.84 1gg1A1 ILE 148 HG23 0.15 0.02 -0.11 -0.04 0.93 0.96 1gg1A1 ILE 148 HD13 0.03 0.02 -0.05 -0.04 0.88 0.84 1gg1A1 THR 149 H 0.03 -0.05 -0.10 -0.55 8.28 7.61 1gg1A1 THR 149 HA 0.09 0.11 0.36 -0.75 4.39 4.20 1gg1A1 THR 149 HB -0.07 0.02 -0.03 -0.04 4.32 4.19 1gg1A1 THR 149 HG23 -0.11 -0.02 -0.01 -0.04 1.22 1.04 1gg1A1 PRO 150 HA 0.13 -0.03 0.33 -0.51 4.44 4.36 1gg1A1 PRO 150 HB2 0.12 0.11 -0.09 -0.04 2.28 2.38 1gg1A1 PRO 150 HB3 0.30 0.07 -0.02 -0.04 2.02 2.32 1gg1A1 PRO 150 HG2 0.15 0.16 -0.07 -0.04 2.03 2.23 1gg1A1 PRO 150 HG3 0.34 -0.03 -0.03 -0.04 2.03 2.27 1gg1A1 PRO 150 HD2 0.09 0.13 -0.80 -0.04 3.68 3.06 1gg1A1 PRO 150 HD3 0.07 -0.02 -0.15 -0.04 3.65 3.51 1gg1A1 GLN 151 H 0.08 0.29 -0.38 -0.55 8.47 7.92 1gg1A1 GLN 151 HA -0.04 0.06 0.36 -0.75 4.36 3.98 1gg1A1 GLN 151 HB2 -0.16 0.12 0.03 -0.04 2.15 2.10 1gg1A1 GLN 151 HB3 -0.32 -0.08 -0.05 -0.04 2.02 1.54 1gg1A1 GLN 151 HG2 -0.02 -0.00 0.01 -0.04 2.40 2.35 1gg1A1 GLN 151 HG3 -0.09 0.17 -0.11 -0.04 2.39 2.32 1gg1A1 GLN 151 HE21 -0.06 -0.01 0.01 -0.04 6.97 6.87 1gg1A1 GLN 151 HE22 -0.03 0.13 0.00 -0.04 7.69 7.74 1gg1A1 TYR 152 H 0.32 0.49 -0.26 -0.55 8.29 8.29 1gg1A1 TYR 152 HA -0.05 0.15 0.69 -0.75 4.56 4.59 1gg1A1 TYR 152 HB2 -0.06 0.02 0.03 -0.04 3.06 3.02 1gg1A1 TYR 152 HB3 -0.05 -0.01 0.06 -0.04 2.98 2.94 1gg1A1 TYR 152 HD2 -0.04 0.07 0.04 -0.04 7.15 7.18 1gg1A1 TYR 152 HE2 -0.03 0.12 -0.24 -0.04 6.85 6.66 1gg1A1 LEU 153 H 0.09 0.22 -0.11 -0.55 8.37 8.03 1gg1A1 LEU 153 HA 0.04 0.26 0.92 -0.75 4.35 4.81 1gg1A1 LEU 153 HB2 -0.01 -0.02 -0.09 -0.04 1.64 1.47 1gg1A1 LEU 153 HB3 0.02 0.02 -0.10 -0.04 1.64 1.54 1gg1A1 LEU 153 HG -0.07 0.07 -0.22 -0.04 1.64 1.38 1gg1A1 LEU 153 HD13 -0.02 -0.05 -0.36 -0.04 0.93 0.46 1gg1A1 LEU 153 HD23 -0.08 -0.02 -0.14 -0.04 0.89 0.61 1gg1A1 ALA 154 H 0.09 0.73 0.20 -0.55 8.40 8.87 1gg1A1 ALA 154 HA 0.18 -0.00 0.27 -0.75 4.34 4.04 1gg1A1 ALA 154 HB3 0.14 -0.01 0.03 -0.04 1.41 1.52 1gg1A1 ASP 155 H 0.03 0.10 -0.39 -0.55 8.40 7.60 1gg1A1 ASP 155 HA 0.02 0.10 0.37 -0.75 4.63 4.37 1gg1A1 ASP 155 HB2 0.00 0.01 0.05 -0.04 2.71 2.74 1gg1A1 ASP 155 HB3 -0.01 -0.03 0.03 -0.04 2.70 2.66 1gg1A1 LEU 156 H 0.05 0.61 -0.38 -0.55 8.37 8.10 1gg1A1 LEU 156 HA 0.04 0.16 0.77 -0.75 4.35 4.57 1gg1A1 LEU 156 HB2 0.05 0.04 0.00 -0.04 1.64 1.68 1gg1A1 LEU 156 HB3 0.04 -0.01 0.08 -0.04 1.64 1.71 1gg1A1 LEU 156 HG 0.03 -0.05 -0.19 -0.04 1.64 1.39 1gg1A1 LEU 156 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.77 1gg1A1 LEU 156 HD23 0.03 0.02 -0.10 -0.04 0.89 0.80 1gg1A1 MET 157 H 0.08 0.55 -0.23 -0.55 8.47 8.33 1gg1A1 MET 157 HA 0.10 0.11 0.89 -0.75 4.52 4.86 1gg1A1 MET 157 HB2 0.21 0.09 0.04 -0.04 2.15 2.45 1gg1A1 MET 157 HB3 0.18 0.00 -0.09 -0.04 2.03 2.09 1gg1A1 MET 157 HG2 0.05 0.09 -0.39 -0.04 2.63 2.34 1gg1A1 MET 157 HG3 -0.06 -0.12 -0.23 -0.04 2.56 2.11 1gg1A1 MET 157 HE3 -0.01 -0.04 -0.17 -0.04 2.10 1.84 1gg1A1 SER 158 H 0.15 0.53 0.33 -0.55 8.46 8.92 1gg1A1 SER 158 HA 0.12 0.22 0.83 -0.75 4.49 4.90 1gg1A1 SER 158 HB2 0.15 0.02 0.08 -0.04 3.95 4.15 1gg1A1 SER 158 HB3 0.14 -0.02 0.00 -0.04 3.93 4.01 1gg1A1 TRP 159 H 0.29 0.23 0.20 -0.55 7.97 8.14 1gg1A1 TRP 159 HA 0.06 0.33 0.58 -0.75 4.62 4.84 1gg1A1 TRP 159 HB2 0.07 0.13 -0.30 -0.04 3.23 3.10 1gg1A1 TRP 159 HB3 0.07 -0.13 -0.15 -0.04 3.23 2.98 1gg1A1 TRP 159 HD1 0.12 0.09 -0.13 -0.04 7.22 7.25 1gg1A1 TRP 159 HE1 0.57 0.03 -0.30 -0.04 10.20 10.46 1gg1A1 TRP 159 HE3 0.08 -0.13 -0.41 -0.04 7.59 7.09 1gg1A1 TRP 159 HZ2 0.17 -0.02 -0.20 -0.04 7.44 7.34 1gg1A1 TRP 159 HZ3 0.16 -0.12 -0.33 -0.04 7.13 6.80 1gg1A1 TRP 159 HH2 0.09 -0.10 -0.25 -0.04 7.19 6.89 1gg1A1 GLY 160 H -0.93 0.66 0.25 -0.55 8.43 7.86 1gg1A1 GLY 160 HA2 -0.14 0.11 1.06 -0.51 4.01 4.53 1gg1A1 GLY 160 HA3 -0.01 0.02 0.30 -0.51 4.01 3.81 1gg1A1 ALA 161 H -0.28 0.54 0.38 -0.55 8.40 8.49 1gg1A1 ALA 161 HA -0.64 0.36 1.10 -0.75 4.34 4.41 1gg1A1 ALA 161 HB3 0.03 -0.03 -0.14 -0.04 1.41 1.22 1gg1A1 ILE 162 H -0.33 0.71 0.32 -0.55 8.25 8.40 1gg1A1 ILE 162 HA -0.12 0.16 0.88 -0.75 4.18 4.35 1gg1A1 ILE 162 HB -0.27 -0.05 0.18 -0.04 1.89 1.72 1gg1A1 ILE 162 HG12 -0.80 0.03 -0.19 -0.04 1.49 0.49 1gg1A1 ILE 162 HG13 -0.60 0.08 -0.11 -0.04 1.21 0.53 1gg1A1 ILE 162 HG23 0.06 0.02 -0.24 -0.04 0.93 0.72 1gg1A1 ILE 162 HD13 -0.11 0.01 -0.02 -0.04 0.88 0.71 1gg1A1 GLY 163 H -0.08 0.18 -0.00 -0.55 8.43 7.98 1gg1A1 GLY 163 HA2 -0.02 0.08 0.35 -0.51 4.01 3.91 1gg1A1 GLY 163 HA3 -0.05 0.02 0.28 -0.51 4.01 3.75 1gg1A1 ALA 164 H -0.03 0.17 0.13 -0.55 8.40 8.12 1gg1A1 ALA 164 HA 0.01 0.28 0.20 -0.75 4.34 4.07 1gg1A1 ALA 164 HB3 -0.01 -0.02 0.01 -0.04 1.41 1.35 1gg1A1 ARG 165 H -0.04 0.03 -0.46 -0.55 8.46 7.44 1gg1A1 ARG 165 HA -0.03 0.10 0.56 -0.75 4.34 4.22 1gg1A1 ARG 165 HB2 -0.05 -0.01 -0.08 -0.04 1.90 1.72 1gg1A1 ARG 165 HB3 -0.04 0.07 0.05 -0.04 1.80 1.85 1gg1A1 ARG 165 HG2 -0.01 0.02 -0.04 -0.04 1.67 1.60 1gg1A1 ARG 165 HG3 -0.02 -0.12 -0.08 -0.04 1.67 1.40 1gg1A1 ARG 165 HD2 -0.02 -0.02 -0.17 -0.04 3.22 2.98 1gg1A1 ARG 165 HD3 -0.01 0.12 -0.13 -0.04 3.22 3.16 1gg1A1 THR 166 H -0.09 0.50 -0.32 -0.55 8.28 7.83 1gg1A1 THR 166 HA -0.14 0.17 0.86 -0.75 4.39 4.52 1gg1A1 THR 166 HB -0.91 0.03 0.12 -0.04 4.32 3.52 1gg1A1 THR 166 HG23 -0.41 0.00 -0.12 -0.04 1.22 0.66 1gg1A1 THR 167 H -0.01 0.24 -0.12 -0.55 8.28 7.83 1gg1A1 THR 167 HA 0.21 0.11 0.35 -0.75 4.39 4.30 1gg1A1 THR 167 HB 0.04 -0.07 -0.04 -0.04 4.32 4.20 1gg1A1 THR 167 HG23 0.01 0.02 -0.30 -0.04 1.22 0.92 1gg1A1 GLU 168 H -0.01 0.03 -0.36 -0.55 8.60 7.71 1gg1A1 GLU 168 HA -0.05 0.24 0.48 -0.75 4.29 4.21 1gg1A1 GLU 168 HB2 -0.02 -0.08 0.00 -0.04 2.09 1.95 1gg1A1 GLU 168 HB3 -0.02 0.00 -0.07 -0.04 1.99 1.86 1gg1A1 GLU 168 HG2 -0.02 0.02 0.06 -0.04 2.34 2.36 1gg1A1 GLU 168 HG3 -0.03 0.02 0.04 -0.04 2.34 2.33 1gg1A1 SER 169 H -0.00 0.23 -0.55 -0.55 8.46 7.59 1gg1A1 SER 169 HA 0.01 0.05 0.48 -0.75 4.49 4.27 1gg1A1 SER 169 HB2 0.03 0.04 0.09 -0.04 3.95 4.07 1gg1A1 SER 169 HB3 0.07 0.24 0.18 -0.04 3.93 4.38 1gg1A1 GLN 170 H -0.01 0.17 0.22 -0.55 8.47 8.30 1gg1A1 GLN 170 HA -0.07 0.18 0.39 -0.75 4.36 4.11 1gg1A1 GLN 170 HB2 -0.03 0.08 0.14 -0.04 2.15 2.30 1gg1A1 GLN 170 HB3 -0.04 -0.06 0.12 -0.04 2.02 2.01 1gg1A1 GLN 170 HG2 -0.08 -0.02 -0.14 -0.04 2.40 2.12 1gg1A1 GLN 170 HG3 -0.07 0.06 0.05 -0.04 2.39 2.39 1gg1A1 GLN 170 HE21 0.02 0.02 0.01 -0.04 6.97 6.97 1gg1A1 GLN 170 HE22 -0.01 -0.04 -0.02 -0.04 7.69 7.58 1gg1A1 VAL 171 H -0.03 0.06 -0.13 -0.55 8.24 7.59 1gg1A1 VAL 171 HA -0.25 0.12 0.40 -0.75 4.13 3.65 1gg1A1 VAL 171 HB -0.14 0.05 0.08 -0.04 2.12 2.07 1gg1A1 VAL 171 HG13 -0.00 -0.01 0.05 -0.04 0.97 0.96 1gg1A1 VAL 171 HG23 -0.31 0.00 -0.18 -0.04 0.95 0.42 1gg1A1 HIS 172 H 0.08 0.17 -0.37 -0.55 8.41 7.74 1gg1A1 HIS 172 HA -0.10 0.10 0.62 -0.75 4.63 4.49 1gg1A1 HIS 172 HB2 -0.01 0.23 0.10 -0.04 3.26 3.55 1gg1A1 HIS 172 HB3 -0.01 0.01 -0.00 -0.04 3.20 3.15 1gg1A1 HIS 172 HD2 -0.03 0.19 0.06 -0.04 6.97 7.15 1gg1A1 HIS 172 HE1 -0.02 -0.06 -0.01 -0.04 7.75 7.62 1gg1A1 ARG 173 H -0.04 0.30 -0.19 -0.55 8.46 7.98 1gg1A1 ARG 173 HA 0.13 0.08 0.44 -0.75 4.34 4.24 1gg1A1 ARG 173 HB2 -0.14 0.01 0.07 -0.04 1.90 1.79 1gg1A1 ARG 173 HB3 -0.13 0.04 -0.11 -0.04 1.80 1.56 1gg1A1 ARG 173 HG2 -0.23 -0.00 0.02 -0.04 1.67 1.42 1gg1A1 ARG 173 HG3 -0.00 0.07 -0.08 -0.04 1.67 1.61 1gg1A1 ARG 173 HD2 -0.07 -0.11 -0.36 -0.04 3.22 2.64 1gg1A1 ARG 173 HD3 -0.10 -0.01 -0.10 -0.04 3.22 2.96 1gg1A1 GLU 174 H -0.37 0.38 -0.22 -0.55 8.60 7.85 1gg1A1 GLU 174 HA -0.73 0.13 0.33 -0.75 4.29 3.26 1gg1A1 GLU 174 HB2 -0.91 0.03 0.05 -0.04 2.09 1.22 1gg1A1 GLU 174 HB3 -2.13 -0.03 -0.15 -0.04 1.99 -0.36 1gg1A1 GLU 174 HG2 -0.48 0.01 -0.05 -0.04 2.34 1.78 1gg1A1 GLU 174 HG3 -0.44 0.23 0.04 -0.04 2.34 2.12 1gg1A1 LEU 175 H -0.40 0.32 -0.27 -0.55 8.37 7.48 1gg1A1 LEU 175 HA -0.09 0.01 0.28 -0.75 4.35 3.80 1gg1A1 LEU 175 HB2 -0.22 0.01 0.08 -0.04 1.64 1.47 1gg1A1 LEU 175 HB3 -0.20 0.12 0.09 -0.04 1.64 1.61 1gg1A1 LEU 175 HG -0.22 0.02 -0.33 -0.04 1.64 1.07 1gg1A1 LEU 175 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.81 1gg1A1 LEU 175 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.68 1gg1A1 ALA 176 H -0.14 0.45 -0.31 -0.55 8.40 7.85 1gg1A1 ALA 176 HA -0.27 -0.05 0.29 -0.75 4.34 3.56 1gg1A1 ALA 176 HB3 -0.08 0.03 0.03 -0.04 1.41 1.36 1gg1A1 SER 177 H -0.07 0.33 -0.43 -0.55 8.46 7.74 1gg1A1 SER 177 HA 0.05 0.16 0.45 -0.75 4.49 4.39 1gg1A1 SER 177 HB2 0.22 0.20 0.16 -0.04 3.95 4.49 1gg1A1 SER 177 HB3 0.01 0.08 0.19 -0.04 3.93 4.17 1gg1A1 GLY 178 H 0.00 0.42 -0.62 -0.55 8.43 7.68 1gg1A1 GLY 178 HA2 0.03 0.11 0.90 -0.51 4.01 4.54 1gg1A1 GLY 178 HA3 0.07 -0.10 0.23 -0.51 4.01 3.70 1gg1A1 LEU 179 H -0.11 0.41 -0.09 -0.55 8.37 8.03 1gg1A1 LEU 179 HA -0.12 -0.03 0.57 -0.75 4.35 4.02 1gg1A1 LEU 179 HB2 -0.29 0.21 0.07 -0.04 1.64 1.60 1gg1A1 LEU 179 HB3 -0.33 -0.14 -0.02 -0.04 1.64 1.11 1gg1A1 LEU 179 HG -0.32 0.28 -0.15 -0.04 1.64 1.40 1gg1A1 LEU 179 HD13 -1.16 -0.03 -0.14 -0.04 0.93 -0.44 1gg1A1 LEU 179 HD23 -0.29 -0.03 -0.09 -0.04 0.89 0.44 1gg1A1 SER 180 H -0.06 0.05 0.09 -0.55 8.46 8.00 1gg1A1 SER 180 HA -0.03 0.16 0.47 -0.75 4.49 4.34 1gg1A1 SER 180 HB2 -0.01 0.00 0.01 -0.04 3.95 3.91 1gg1A1 SER 180 HB3 -0.01 0.01 0.11 -0.04 3.93 4.00 1gg1A1 CYS 181 H -0.09 -0.03 -0.45 -0.55 8.50 7.39 1gg1A1 CYS 181 HA 0.02 0.24 0.87 -0.75 4.58 4.96 1gg1A1 CYS 181 HB2 0.08 0.16 -0.45 -0.04 2.97 2.71 1gg1A1 CYS 181 HB3 0.05 0.12 -0.24 -0.04 2.97 2.86 1gg1A1 PRO 182 HA 0.03 0.15 0.50 -0.51 4.44 4.61 1gg1A1 PRO 182 HB2 0.41 -0.12 0.03 -0.04 2.28 2.57 1gg1A1 PRO 182 HB3 0.25 0.12 0.09 -0.04 2.02 2.43 1gg1A1 PRO 182 HG2 0.22 0.00 0.11 -0.04 2.03 2.32 1gg1A1 PRO 182 HG3 0.15 0.03 0.06 -0.04 2.03 2.24 1gg1A1 PRO 182 HD2 0.19 0.45 0.34 -0.04 3.68 4.61 1gg1A1 PRO 182 HD3 0.09 0.11 0.26 -0.04 3.65 4.07 1gg1A1 VAL 183 H -0.10 0.64 0.31 -0.55 8.24 8.55 1gg1A1 VAL 183 HA -0.81 0.15 1.08 -0.75 4.13 3.80 1gg1A1 VAL 183 HB -0.35 0.03 -0.03 -0.04 2.12 1.73 1gg1A1 VAL 183 HG13 -0.90 -0.05 -0.34 -0.04 0.97 -0.36 1gg1A1 VAL 183 HG23 -0.46 0.02 -0.24 -0.04 0.95 0.23 1gg1A1 GLY 184 H -1.02 0.69 0.37 -0.55 8.43 7.92 1gg1A1 GLY 184 HA2 -0.73 0.35 1.00 -0.51 4.01 4.12 1gg1A1 GLY 184 HA3 -0.16 -0.07 0.23 -0.51 4.01 3.50 1gg1A1 PHE 185 H 0.00 0.76 0.30 -0.55 8.34 8.85 1gg1A1 PHE 185 HA -0.09 0.09 1.01 -0.75 4.62 4.88 1gg1A1 PHE 185 HB2 -0.06 0.05 0.09 -0.04 3.15 3.18 1gg1A1 PHE 185 HB3 -0.04 -0.01 -0.04 -0.04 3.06 2.92 1gg1A1 PHE 185 HD2 -0.08 -0.02 -0.09 -0.04 7.28 7.05 1gg1A1 PHE 185 HE2 -0.08 0.04 -0.16 -0.04 7.38 7.14 1gg1A1 PHE 185 HZ -0.10 0.04 -0.07 -0.04 7.32 7.15 1gg1A1 LYS 186 H 0.07 0.46 0.16 -0.55 8.42 8.55 1gg1A1 LYS 186 HA 0.10 0.18 0.69 -0.75 4.32 4.54 1gg1A1 LYS 186 HB2 0.03 -0.09 -0.01 -0.04 1.87 1.76 1gg1A1 LYS 186 HB3 0.04 0.04 0.07 -0.04 1.79 1.90 1gg1A1 LYS 186 HG2 0.11 0.02 -0.12 -0.04 1.46 1.42 1gg1A1 LYS 186 HG3 0.05 0.13 -0.06 -0.04 1.46 1.53 1gg1A1 LYS 186 HD2 -0.01 -0.15 -0.03 -0.04 1.69 1.45 1gg1A1 LYS 186 HD3 -0.02 0.02 -0.02 -0.04 1.68 1.62 1gg1A1 LYS 186 HE2 0.11 0.03 -0.16 -0.04 2.99 2.92 1gg1A1 LYS 186 HE3 0.14 0.03 -0.16 -0.04 2.99 2.96 1gg1A1 ASN 187 H 0.07 0.25 0.32 -0.55 8.53 8.63 1gg1A1 ASN 187 HA 0.04 0.04 0.55 -0.75 4.76 4.63 1gg1A1 ASN 187 HB2 0.04 0.13 -0.18 -0.04 2.88 2.84 1gg1A1 ASN 187 HB3 0.06 0.00 0.12 -0.04 2.79 2.93 1gg1A1 ASN 187 HD21 0.04 0.40 -0.12 -0.04 7.03 7.30 1gg1A1 ASN 187 HD22 0.03 0.24 -0.54 -0.04 7.74 7.43 1gg1A1 GLY 188 H 0.02 0.45 0.22 -0.55 8.43 8.57 1gg1A1 GLY 188 HA2 0.01 0.25 0.45 -0.51 4.01 4.21 1gg1A1 GLY 188 HA3 0.01 -0.10 0.39 -0.51 4.01 3.80 1gg1A1 THR 189 H 0.00 0.21 0.13 -0.55 8.28 8.08 1gg1A1 THR 189 HA 0.01 0.18 0.39 -0.75 4.39 4.21 1gg1A1 THR 189 HB 0.01 0.05 0.03 -0.04 4.32 4.37 1gg1A1 THR 189 HG23 -0.00 0.01 -0.07 -0.04 1.22 1.11 1gg1A1 ASP 190 H 0.01 0.01 -0.25 -0.55 8.40 7.62 1gg1A1 ASP 190 HA 0.01 0.18 0.52 -0.75 4.63 4.59 1gg1A1 ASP 190 HB2 0.01 0.06 0.12 -0.04 2.71 2.86 1gg1A1 ASP 190 HB3 0.01 0.04 0.06 -0.04 2.70 2.77 1gg1A1 GLY 191 H 0.02 0.50 -0.56 -0.55 8.43 7.84 1gg1A1 GLY 191 HA2 0.02 0.22 0.02 -0.51 4.01 3.77 1gg1A1 GLY 191 HA3 0.02 0.09 0.69 -0.51 4.01 4.30 1gg1A1 THR 192 H 0.02 -0.04 -0.17 -0.55 8.28 7.54 1gg1A1 THR 192 HA 0.02 0.10 0.35 -0.75 4.39 4.10 1gg1A1 THR 192 HB 0.01 -0.08 0.14 -0.04 4.32 4.35 1gg1A1 THR 192 HG23 0.00 -0.03 -0.10 -0.04 1.22 1.05 1gg1A1 ILE 193 H 0.02 0.18 0.25 -0.55 8.25 8.16 1gg1A1 ILE 193 HA 0.03 0.14 0.66 -0.75 4.18 4.25 1gg1A1 ILE 193 HB 0.03 -0.01 0.14 -0.04 1.89 2.00 1gg1A1 ILE 193 HG12 0.04 0.03 0.15 -0.04 1.49 1.67 1gg1A1 ILE 193 HG13 0.05 0.05 0.04 -0.04 1.21 1.31 1gg1A1 ILE 193 HG23 0.04 0.02 -0.07 -0.04 0.93 0.88 1gg1A1 ILE 193 HD13 0.06 -0.00 -0.03 -0.04 0.88 0.86 1gg1A1 LYS 194 H 0.01 0.10 0.08 -0.55 8.42 8.05 1gg1A1 LYS 194 HA -0.01 0.14 0.35 -0.75 4.32 4.05 1gg1A1 LYS 194 HB2 -0.00 0.05 0.12 -0.04 1.87 2.00 1gg1A1 LYS 194 HB3 -0.01 -0.05 0.06 -0.04 1.79 1.75 1gg1A1 LYS 194 HG2 -0.02 0.00 -0.20 -0.04 1.46 1.21 1gg1A1 LYS 194 HG3 -0.01 0.06 0.05 -0.04 1.46 1.52 1gg1A1 LYS 194 HD2 -0.01 0.03 0.00 -0.04 1.69 1.68 1gg1A1 LYS 194 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 1gg1A1 LYS 194 HE2 -0.01 0.06 -0.02 -0.04 2.99 2.98 1gg1A1 LYS 194 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 1gg1A1 VAL 195 H -0.01 0.03 -0.41 -0.55 8.24 7.30 1gg1A1 VAL 195 HA -0.05 0.13 0.33 -0.75 4.13 3.79 1gg1A1 VAL 195 HB -0.03 0.05 -0.10 -0.04 2.12 1.99 1gg1A1 VAL 195 HG13 -0.02 -0.01 -0.02 -0.04 0.97 0.89 1gg1A1 VAL 195 HG23 -0.00 0.02 -0.06 -0.04 0.95 0.87 1gg1A1 ALA 196 H -0.02 0.23 -0.25 -0.55 8.40 7.82 1gg1A1 ALA 196 HA -0.11 0.12 0.41 -0.75 4.34 4.00 1gg1A1 ALA 196 HB3 0.04 0.05 -0.07 -0.04 1.41 1.39 1gg1A1 ILE 197 H -0.03 0.28 -0.12 -0.55 8.25 7.84 1gg1A1 ILE 197 HA -0.03 0.11 0.44 -0.75 4.18 3.95 1gg1A1 ILE 197 HB -0.02 -0.05 0.10 -0.04 1.89 1.88 1gg1A1 ILE 197 HG12 0.02 0.08 -0.05 -0.04 1.49 1.50 1gg1A1 ILE 197 HG13 0.01 -0.02 -0.07 -0.04 1.21 1.10 1gg1A1 ILE 197 HG23 -0.01 0.04 -0.13 -0.04 0.93 0.79 1gg1A1 ILE 197 HD13 0.02 0.01 -0.21 -0.04 0.88 0.66 1gg1A1 ASP 198 H -0.07 0.64 -0.05 -0.55 8.40 8.38 1gg1A1 ASP 198 HA -0.06 0.06 0.38 -0.75 4.63 4.26 1gg1A1 ASP 198 HB2 -0.08 0.05 0.09 -0.04 2.71 2.73 1gg1A1 ASP 198 HB3 -0.07 -0.02 -0.01 -0.04 2.70 2.56 1gg1A1 ALA 199 H -0.24 0.28 -0.49 -0.55 8.40 7.40 1gg1A1 ALA 199 HA -0.34 -0.00 0.38 -0.75 4.34 3.62 1gg1A1 ALA 199 HB3 -1.00 0.05 0.09 -0.04 1.41 0.51 1gg1A1 ILE 200 H -0.30 0.44 -0.21 -0.55 8.25 7.63 1gg1A1 ILE 200 HA -0.09 0.02 0.34 -0.75 4.18 3.69 1gg1A1 ILE 200 HB -0.05 0.10 0.13 -0.04 1.89 2.04 1gg1A1 ILE 200 HG12 0.15 -0.03 -0.26 -0.04 1.49 1.30 1gg1A1 ILE 200 HG13 -0.08 0.04 -0.04 -0.04 1.21 1.09 1gg1A1 ILE 200 HG23 0.05 0.02 -0.16 -0.04 0.93 0.80 1gg1A1 ILE 200 HD13 0.08 -0.03 -0.14 -0.04 0.88 0.75 1gg1A1 ASN 201 H -0.08 0.39 -0.17 -0.55 8.53 8.12 1gg1A1 ASN 201 HA -0.00 0.09 0.41 -0.75 4.76 4.50 1gg1A1 ASN 201 HB2 -0.04 0.03 0.15 -0.04 2.88 2.97 1gg1A1 ASN 201 HB3 -0.02 -0.06 -0.01 -0.04 2.79 2.66 1gg1A1 ASN 201 HD21 -0.01 0.22 0.05 -0.04 7.03 7.24 1gg1A1 ASN 201 HD22 -0.02 -0.14 -0.02 -0.04 7.74 7.52 1gg1A1 ALA 202 H -0.09 0.44 -0.23 -0.55 8.40 7.97 1gg1A1 ALA 202 HA 0.06 0.01 0.40 -0.75 4.34 4.06 1gg1A1 ALA 202 HB3 -0.04 -0.03 0.05 -0.04 1.41 1.36 1gg1A1 ALA 203 H -0.06 0.70 -0.07 -0.55 8.40 8.43 1gg1A1 ALA 203 HA 0.06 0.09 0.46 -0.75 4.34 4.19 1gg1A1 ALA 203 HB3 0.17 -0.03 0.03 -0.04 1.41 1.54 1gg1A1 GLY 204 H 0.05 0.28 -0.53 -0.55 8.43 7.69 1gg1A1 GLY 204 HA2 0.06 0.04 0.31 -0.51 4.01 3.91 1gg1A1 GLY 204 HA3 0.05 0.03 0.25 -0.51 4.01 3.82 1gg1A1 ALA 205 H 0.09 0.28 -0.40 -0.55 8.40 7.83 1gg1A1 ALA 205 HA 0.00 0.15 0.77 -0.75 4.34 4.51 1gg1A1 ALA 205 HB3 -0.07 -0.01 0.08 -0.04 1.41 1.37 1gg1A1 PRO 206 HA 0.05 0.08 0.15 -0.51 4.44 4.21 1gg1A1 PRO 206 HB2 -0.04 -0.13 -0.01 -0.04 2.28 2.05 1gg1A1 PRO 206 HB3 -0.00 0.15 0.15 -0.04 2.02 2.28 1gg1A1 PRO 206 HG2 -0.02 -0.09 0.09 -0.04 2.03 1.97 1gg1A1 PRO 206 HG3 -0.00 0.27 0.10 -0.04 2.03 2.36 1gg1A1 PRO 206 HD2 -0.07 -0.02 0.20 -0.04 3.68 3.75 1gg1A1 PRO 206 HD3 -0.03 0.14 0.25 -0.04 3.65 3.97 1gg1A1 HIS 207 H 0.17 0.19 0.19 -0.55 8.41 8.41 1gg1A1 HIS 207 HA 0.09 0.16 0.82 -0.75 4.63 4.95 1gg1A1 HIS 207 HB2 0.28 0.01 -0.04 -0.04 3.26 3.47 1gg1A1 HIS 207 HB3 0.34 -0.08 -0.08 -0.04 3.20 3.34 1gg1A1 HIS 207 HD2 0.04 0.28 -0.18 -0.04 6.97 7.07 1gg1A1 HIS 207 HE1 -0.01 -0.12 -0.06 -0.04 7.75 7.51 1gg1A1 CYS 208 H 0.23 0.26 0.17 -0.55 8.50 8.62 1gg1A1 CYS 208 HA -0.05 0.39 1.06 -0.75 4.58 5.23 1gg1A1 CYS 208 HB2 0.02 0.02 -0.03 -0.04 2.97 2.94 1gg1A1 CYS 208 HB3 0.05 -0.05 0.12 -0.04 2.97 3.06 1gg1A1 PHE 209 H -0.40 0.62 0.32 -0.55 8.34 8.34 1gg1A1 PHE 209 HA 0.02 0.05 0.52 -0.75 4.62 4.45 1gg1A1 PHE 209 HB2 -0.00 -0.07 0.13 -0.04 3.15 3.17 1gg1A1 PHE 209 HB3 0.02 0.14 -0.10 -0.04 3.06 3.08 1gg1A1 PHE 209 HD2 0.02 0.10 -0.43 -0.04 7.28 6.93 1gg1A1 PHE 209 HE2 -0.01 0.03 -0.24 -0.04 7.38 7.12 1gg1A1 PHE 209 HZ -0.04 0.08 -0.30 -0.04 7.32 7.02 1gg1A1 LEU 210 H 0.20 0.10 0.18 -0.55 8.37 8.30 1gg1A1 LEU 210 HA 0.00 0.30 0.84 -0.75 4.35 4.74 1gg1A1 LEU 210 HB2 0.08 -0.04 0.09 -0.04 1.64 1.72 1gg1A1 LEU 210 HB3 0.04 0.01 0.08 -0.04 1.64 1.74 1gg1A1 LEU 210 HG 0.06 -0.04 0.06 -0.04 1.64 1.68 1gg1A1 LEU 210 HD13 0.03 -0.00 -0.02 -0.04 0.93 0.90 1gg1A1 LEU 210 HD23 0.01 0.00 -0.15 -0.04 0.89 0.71 1gg1A1 SER 211 H 0.01 0.58 0.42 -0.55 8.46 8.92 1gg1A1 SER 211 HA 0.10 0.07 0.56 -0.75 4.49 4.46 1gg1A1 SER 211 HB2 0.18 0.10 -0.33 -0.04 3.95 3.86 1gg1A1 SER 211 HB3 -0.03 -0.00 -0.18 -0.04 3.93 3.68 1gg1A1 VAL 212 H 0.05 0.23 0.13 -0.55 8.24 8.10 1gg1A1 VAL 212 HA 0.05 0.24 0.91 -0.75 4.13 4.58 1gg1A1 VAL 212 HB 0.04 0.00 0.09 -0.04 2.12 2.21 1gg1A1 VAL 212 HG13 0.04 0.06 -0.27 -0.04 0.97 0.75 1gg1A1 VAL 212 HG23 0.05 -0.02 -0.19 -0.04 0.95 0.75 1gg1A1 THR 213 H 0.06 0.68 0.26 -0.55 8.28 8.73 1gg1A1 THR 213 HA -0.01 0.23 0.58 -0.75 4.39 4.44 1gg1A1 THR 213 HB 0.13 -0.06 0.18 -0.04 4.32 4.54 1gg1A1 THR 213 HG23 0.09 0.08 -0.05 -0.04 1.22 1.29 1gg1A1 LYS 214 H -0.14 0.24 0.18 -0.55 8.42 8.14 1gg1A1 LYS 214 HA -0.36 0.12 0.40 -0.75 4.32 3.73 1gg1A1 TRP 215 H -0.08 0.02 -0.46 -0.55 7.97 6.91 1gg1A1 TRP 215 HA -0.22 0.12 0.67 -0.75 4.62 4.44 1gg1A1 TRP 215 HB2 -0.67 -0.03 -0.02 -0.04 3.23 2.48 1gg1A1 TRP 215 HB3 -0.52 0.06 0.11 -0.04 3.23 2.84 1gg1A1 TRP 215 HD1 -0.10 -0.03 0.01 -0.04 7.22 7.05 1gg1A1 TRP 215 HE1 -0.05 0.05 -0.01 -0.04 10.20 10.15 1gg1A1 TRP 215 HE3 -0.09 0.00 0.01 -0.04 7.59 7.47 1gg1A1 TRP 215 HZ2 -0.03 0.04 -0.02 -0.04 7.44 7.38 1gg1A1 TRP 215 HZ3 -0.03 0.02 -0.03 -0.04 7.13 7.05 1gg1A1 TRP 215 HH2 -0.03 0.03 -0.03 -0.04 7.19 7.13 1gg1A1 GLY 216 H -0.11 0.67 -0.28 -0.55 8.43 8.16 1gg1A1 GLY 216 HA2 -0.00 0.06 0.26 -0.51 4.01 3.82 1gg1A1 GLY 216 HA3 0.01 0.11 0.56 -0.51 4.01 4.18 1gg1A1 HIS 217 H 0.02 -0.02 -0.09 -0.55 8.41 7.78 1gg1A1 HIS 217 HA 0.05 0.18 0.81 -0.75 4.63 4.92 1gg1A1 HIS 217 HB2 0.08 -0.06 -0.04 -0.04 3.26 3.20 1gg1A1 HIS 217 HB3 0.03 0.09 0.05 -0.04 3.20 3.33 1gg1A1 HIS 217 HD2 0.07 0.11 -0.37 -0.04 6.97 6.74 1gg1A1 HIS 217 HE1 -0.08 -0.00 -0.02 -0.04 7.75 7.60 1gg1A1 SER 218 H 0.10 0.12 0.17 -0.55 8.46 8.30 1gg1A1 SER 218 HA 0.06 0.21 0.66 -0.75 4.49 4.67 1gg1A1 SER 218 HB2 0.04 0.03 0.06 -0.04 3.95 4.03 1gg1A1 SER 218 HB3 0.05 -0.02 0.04 -0.04 3.93 3.96 1gg1A1 ALA 219 H 0.03 0.57 0.44 -0.55 8.40 8.90 1gg1A1 ALA 219 HA 0.01 0.06 0.55 -0.75 4.34 4.21 1gg1A1 ALA 219 HB3 0.03 0.03 -0.09 -0.04 1.41 1.33 1gg1A1 ILE 220 H -0.02 0.15 0.16 -0.55 8.25 8.00 1gg1A1 ILE 220 HA -0.06 0.14 0.71 -0.75 4.18 4.22 1gg1A1 ILE 220 HB -0.03 -0.01 0.11 -0.04 1.89 1.91 1gg1A1 ILE 220 HG12 -0.01 0.02 -0.07 -0.04 1.49 1.39 1gg1A1 ILE 220 HG13 -0.01 -0.10 -0.10 -0.04 1.21 0.96 1gg1A1 ILE 220 HG23 -0.05 0.01 -0.16 -0.04 0.93 0.69 1gg1A1 ILE 220 HD13 -0.01 0.01 -0.02 -0.04 0.88 0.81 1gg1A1 VAL 221 H -0.26 0.63 0.33 -0.55 8.24 8.40 1gg1A1 VAL 221 HA -0.15 0.13 0.88 -0.75 4.13 4.24 1gg1A1 VAL 221 HB -0.57 0.07 -0.04 -0.04 2.12 1.54 1gg1A1 VAL 221 HG13 -0.33 0.01 -0.30 -0.04 0.97 0.30 1gg1A1 VAL 221 HG23 -0.12 -0.02 -0.27 -0.04 0.95 0.50 1gg1A1 ASN 222 H -0.12 0.23 0.17 -0.55 8.53 8.27 1gg1A1 ASN 222 HA -0.09 0.31 1.14 -0.75 4.76 5.36 1gg1A1 ASN 222 HB2 -0.05 -0.06 0.11 -0.04 2.88 2.85 1gg1A1 ASN 222 HB3 -0.03 0.11 -0.01 -0.04 2.79 2.83 1gg1A1 ASN 222 HD21 -0.02 -0.07 -0.06 -0.04 7.03 6.84 1gg1A1 ASN 222 HD22 -0.02 0.10 -0.05 -0.04 7.74 7.74 1gg1A1 THR 223 H 0.04 0.68 0.33 -0.55 8.28 8.79 1gg1A1 THR 223 HA 0.01 0.17 0.94 -0.75 4.39 4.75 1gg1A1 THR 223 HB 0.10 0.18 -0.08 -0.04 4.32 4.48 1gg1A1 THR 223 HG23 0.13 0.01 -0.24 -0.04 1.22 1.08 1gg1A1 SER 224 H 0.03 0.19 0.20 -0.55 8.46 8.33 1gg1A1 SER 224 HA 0.02 0.07 0.69 -0.75 4.49 4.52 1gg1A1 SER 224 HB2 0.01 -0.02 0.11 -0.04 3.95 4.01 1gg1A1 SER 224 HB3 0.01 -0.10 0.09 -0.04 3.93 3.88 1gg1A1 GLY 225 H 0.07 0.18 -0.03 -0.55 8.43 8.10 1gg1A1 GLY 225 HA2 0.10 0.22 0.18 -0.51 4.01 4.00 1gg1A1 GLY 225 HA3 0.05 0.25 0.44 -0.51 4.01 4.25 1gg1A1 ASN 226 H 0.06 0.77 0.27 -0.55 8.53 9.09 1gg1A1 ASN 226 HA 0.03 0.08 0.89 -0.75 4.76 5.00 1gg1A1 ASN 226 HB2 0.00 0.10 -0.03 -0.04 2.88 2.91 1gg1A1 ASN 226 HB3 0.03 -0.05 -0.02 -0.04 2.79 2.71 1gg1A1 ASN 226 HD21 -0.09 0.25 -0.06 -0.04 7.03 7.09 1gg1A1 ASN 226 HD22 -0.10 0.21 0.04 -0.04 7.74 7.85 1gg1A1 GLY 227 H 0.05 0.19 0.06 -0.55 8.43 8.19 1gg1A1 GLY 227 HA2 0.07 0.17 0.59 -0.51 4.01 4.32 1gg1A1 GLY 227 HA3 0.07 0.02 0.31 -0.51 4.01 3.91 1gg1A1 ASP 228 H 0.07 0.07 -0.32 -0.55 8.40 7.68 1gg1A1 ASP 228 HA 0.15 0.25 0.75 -0.75 4.63 5.03 1gg1A1 ASP 228 HB2 0.08 0.03 0.04 -0.04 2.71 2.82 1gg1A1 ASP 228 HB3 0.17 -0.04 0.15 -0.04 2.70 2.93 1gg1A1 CYS 229 H 0.12 0.36 -0.41 -0.55 8.50 8.01 1gg1A1 CYS 229 HA 0.05 0.31 1.13 -0.75 4.58 5.32 1gg1A1 CYS 229 HB2 0.15 0.07 0.01 -0.04 2.97 3.15 1gg1A1 CYS 229 HB3 0.28 -0.09 -0.02 -0.04 2.97 3.11 1gg1A1 HIS 230 H -0.17 0.49 0.39 -0.55 8.41 8.59 1gg1A1 HIS 230 HA 0.13 0.19 0.79 -0.75 4.63 4.99 1gg1A1 HIS 230 HB2 0.13 0.00 -0.01 -0.04 3.26 3.34 1gg1A1 HIS 230 HB3 0.13 0.12 -0.33 -0.04 3.20 3.08 1gg1A1 HIS 230 HD2 0.28 0.09 -0.28 -0.04 6.97 7.01 1gg1A1 HIS 230 HE1 0.39 -0.15 -0.27 -0.04 7.75 7.68 1gg1A1 ILE 231 H 0.24 0.27 0.20 -0.55 8.25 8.40 1gg1A1 ILE 231 HA 0.16 0.20 0.72 -0.75 4.18 4.50 1gg1A1 ILE 231 HB 0.11 0.04 0.04 -0.04 1.89 2.03 1gg1A1 ILE 231 HG12 0.13 -0.09 -0.25 -0.04 1.49 1.24 1gg1A1 ILE 231 HG13 0.11 0.10 0.08 -0.04 1.21 1.46 1gg1A1 ILE 231 HG23 0.14 0.02 0.08 -0.04 0.93 1.13 1gg1A1 ILE 231 HD13 0.07 -0.03 -0.03 -0.04 0.88 0.86 1gg1A1 ILE 232 H 0.16 0.64 0.26 -0.55 8.25 8.75 1gg1A1 ILE 232 HA 0.24 0.28 0.88 -0.75 4.18 4.83 1gg1A1 ILE 232 HB 0.16 -0.11 -0.15 -0.04 1.89 1.75 1gg1A1 ILE 232 HG12 0.46 0.07 -0.26 -0.04 1.49 1.72 1gg1A1 ILE 232 HG13 0.20 0.04 -0.51 -0.04 1.21 0.90 1gg1A1 ILE 232 HG23 0.19 -0.03 -0.37 -0.04 0.93 0.68 1gg1A1 ILE 232 HD13 0.32 -0.01 -0.31 -0.04 0.88 0.84 1gg1A1 LEU 233 H 0.15 0.77 0.30 -0.55 8.37 9.04 1gg1A1 LEU 233 HA 0.10 0.03 0.75 -0.75 4.35 4.48 1gg1A1 LEU 233 HB2 0.13 0.05 0.24 -0.04 1.64 2.01 1gg1A1 LEU 233 HB3 0.09 -0.04 0.01 -0.04 1.64 1.66 1gg1A1 LEU 233 HG 0.10 0.09 -0.01 -0.04 1.64 1.77 1gg1A1 LEU 233 HD13 0.08 -0.01 -0.02 -0.04 0.93 0.94 1gg1A1 LEU 233 HD23 0.12 -0.01 -0.14 -0.04 0.89 0.82 1gg1A1 ARG 234 H 0.08 0.21 0.21 -0.55 8.46 8.41 1gg1A1 ARG 234 HA 0.13 0.26 0.95 -0.75 4.34 4.93 1gg1A1 ARG 234 HB2 0.07 -0.10 0.16 -0.04 1.90 1.99 1gg1A1 ARG 234 HB3 0.09 -0.01 -0.13 -0.04 1.80 1.71 1gg1A1 ARG 234 HG2 0.02 -0.08 0.01 -0.04 1.67 1.58 1gg1A1 ARG 234 HG3 0.06 -0.03 0.12 -0.04 1.67 1.78 1gg1A1 ARG 234 HD2 0.02 0.27 -0.13 -0.04 3.22 3.34 1gg1A1 ARG 234 HD3 0.04 0.26 -0.33 -0.04 3.22 3.15 1gg1A1 GLY 235 H 0.05 0.02 -0.05 -0.55 8.43 7.91 1gg1A1 GLY 235 HA2 -0.00 -0.01 0.25 -0.51 4.01 3.73 1gg1A1 GLY 235 HA3 0.05 0.09 0.17 -0.51 4.01 3.81 1gg1A1 GLY 236 H 0.01 0.47 -0.11 -0.55 8.43 8.25 1gg1A1 GLY 236 HA2 0.02 0.31 0.40 -0.51 4.01 4.23 1gg1A1 GLY 236 HA3 0.02 -0.05 -0.00 -0.51 4.01 3.47 1gg1A1 LYS 237 H 0.02 0.32 0.07 -0.55 8.42 8.28 1gg1A1 LYS 237 HA 0.02 0.04 0.40 -0.75 4.32 4.02 1gg1A1 GLU 238 H 0.01 0.10 -0.44 -0.55 8.60 7.72 1gg1A1 GLU 238 HA 0.01 0.19 0.57 -0.75 4.29 4.30 1gg1A1 GLU 238 HB2 -0.00 0.02 0.12 -0.04 2.09 2.18 1gg1A1 GLU 238 HB3 0.01 0.08 -0.11 -0.04 1.99 1.93 1gg1A1 GLU 238 HG2 0.02 -0.15 -0.08 -0.04 2.34 2.09 1gg1A1 GLU 238 HG3 0.02 0.11 -0.14 -0.04 2.34 2.29 1gg1A1 PRO 239 HA -0.00 -0.02 0.42 -0.51 4.44 4.33 1gg1A1 PRO 239 HB2 -0.18 -0.04 0.08 -0.04 2.28 2.09 1gg1A1 PRO 239 HB3 0.14 0.03 0.17 -0.04 2.02 2.33 1gg1A1 PRO 239 HG2 0.07 0.04 0.09 -0.04 2.03 2.19 1gg1A1 PRO 239 HG3 0.09 0.17 0.13 -0.04 2.03 2.37 1gg1A1 PRO 239 HD2 -0.01 0.09 0.21 -0.04 3.68 3.93 1gg1A1 PRO 239 HD3 0.02 0.21 0.22 -0.04 3.65 4.06 1gg1A1 ASN 240 H -0.09 0.13 0.09 -0.55 8.53 8.13 1gg1A1 ASN 240 HA -1.42 0.19 0.77 -0.75 4.76 3.54 1gg1A1 ASN 240 HB2 -0.17 0.04 0.17 -0.04 2.88 2.89 1gg1A1 ASN 240 HB3 -0.23 0.13 -0.07 -0.04 2.79 2.58 1gg1A1 ASN 240 HD21 0.03 -0.13 0.04 -0.04 7.03 6.94 1gg1A1 ASN 240 HD22 0.01 0.17 -0.01 -0.04 7.74 7.88 1gg1A1 TYR 241 H -0.49 0.10 0.01 -0.55 8.29 7.36 1gg1A1 TYR 241 HA 0.00 0.26 0.79 -0.75 4.56 4.86 1gg1A1 TYR 241 HB2 -0.04 0.08 0.06 -0.04 3.06 3.11 1gg1A1 TYR 241 HB3 -0.02 0.02 0.00 -0.04 2.98 2.94 1gg1A1 TYR 241 HD2 -0.06 -0.03 -0.15 -0.04 7.15 6.87 1gg1A1 TYR 241 HE2 -0.06 0.08 0.02 -0.04 6.85 6.84 1gg1A1 SER 242 H -0.47 -0.00 -0.10 -0.55 8.46 7.34 1gg1A1 SER 242 HA -0.01 0.17 0.31 -0.75 4.49 4.22 1gg1A1 SER 242 HB2 -0.03 0.03 0.13 -0.04 3.95 4.03 1gg1A1 SER 242 HB3 -0.24 0.09 0.09 -0.04 3.93 3.83 1gg1A1 ALA 243 H 0.03 0.20 0.15 -0.55 8.40 8.23 1gg1A1 ALA 243 HA 0.04 0.15 0.39 -0.75 4.34 4.17 1gg1A1 ALA 243 HB3 0.02 0.05 0.09 -0.04 1.41 1.52 1gg1A1 LYS 244 H -0.01 0.01 -0.31 -0.55 8.42 7.56 1gg1A1 LYS 244 HA -0.05 0.14 0.40 -0.75 4.32 4.06 1gg1A1 LYS 244 HB2 -0.07 0.02 0.05 -0.04 1.87 1.83 1gg1A1 LYS 244 HB3 -0.17 -0.06 0.00 -0.04 1.79 1.52 1gg1A1 LYS 244 HG2 -0.19 0.01 -0.14 -0.04 1.46 1.09 1gg1A1 LYS 244 HG3 -0.09 0.04 0.02 -0.04 1.46 1.39 1gg1A1 LYS 244 HD2 -0.08 0.01 -0.01 -0.04 1.69 1.57 1gg1A1 LYS 244 HD3 -0.17 -0.02 -0.04 -0.04 1.68 1.41 1gg1A1 LYS 244 HE2 -0.12 -0.00 -0.04 -0.04 2.99 2.78 1gg1A1 LYS 244 HE3 -0.07 0.02 -0.02 -0.04 2.99 2.88 1gg1A1 HIS 245 H 0.06 0.03 -0.27 -0.55 8.41 7.68 1gg1A1 HIS 245 HA -0.02 0.05 0.43 -0.75 4.63 4.34 1gg1A1 HIS 245 HB2 -0.04 0.10 -0.19 -0.04 3.26 3.08 1gg1A1 HIS 245 HB3 -0.01 0.08 -0.04 -0.04 3.20 3.19 1gg1A1 HIS 245 HD2 -0.02 0.01 0.03 -0.04 6.97 6.95 1gg1A1 HIS 245 HE1 -0.11 0.01 -0.01 -0.04 7.75 7.60 1gg1A1 VAL 246 H 0.09 0.63 -0.23 -0.55 8.24 8.18 1gg1A1 VAL 246 HA 0.08 0.02 0.28 -0.75 4.13 3.76 1gg1A1 VAL 246 HB 0.05 0.02 0.07 -0.04 2.12 2.22 1gg1A1 VAL 246 HG13 0.05 0.00 -0.18 -0.04 0.97 0.80 1gg1A1 VAL 246 HG23 0.09 0.05 -0.13 -0.04 0.95 0.91 1gg1A1 ALA 247 H 0.02 0.52 -0.27 -0.55 8.40 8.13 1gg1A1 ALA 247 HA 0.02 0.05 0.41 -0.75 4.34 4.06 1gg1A1 ALA 247 HB3 -0.00 0.03 0.11 -0.04 1.41 1.51 1gg1A1 GLU 248 H -0.01 0.45 -0.14 -0.55 8.60 8.35 1gg1A1 GLU 248 HA -0.00 0.01 0.41 -0.75 4.29 3.96 1gg1A1 GLU 248 HB2 -0.01 0.12 0.22 -0.04 2.09 2.38 1gg1A1 GLU 248 HB3 0.00 -0.07 -0.01 -0.04 1.99 1.87 1gg1A1 GLU 248 HG2 -0.03 -0.03 0.04 -0.04 2.34 2.28 1gg1A1 GLU 248 HG3 -0.05 0.06 0.07 -0.04 2.34 2.37 1gg1A1 VAL 249 H 0.05 0.66 -0.13 -0.55 8.24 8.27 1gg1A1 VAL 249 HA 0.04 -0.05 0.46 -0.75 4.13 3.83 1gg1A1 VAL 249 HB 0.07 0.15 0.08 -0.04 2.12 2.37 1gg1A1 VAL 249 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 1gg1A1 VAL 249 HG23 0.08 -0.00 -0.00 -0.04 0.95 0.98 1gg1A1 LYS 250 H 0.04 0.58 -0.16 -0.55 8.42 8.33 1gg1A1 LYS 250 HA 0.04 0.05 0.45 -0.75 4.32 4.10 1gg1A1 LYS 250 HB2 0.02 0.08 0.16 -0.04 1.87 2.09 1gg1A1 LYS 250 HB3 0.02 -0.01 0.04 -0.04 1.79 1.80 1gg1A1 LYS 250 HG2 0.04 -0.03 -0.13 -0.04 1.46 1.30 1gg1A1 LYS 250 HG3 0.04 0.36 0.01 -0.04 1.46 1.83 1gg1A1 LYS 250 HD2 0.03 0.10 0.02 -0.04 1.69 1.80 1gg1A1 LYS 250 HD3 0.03 -0.10 -0.07 -0.04 1.68 1.51 1gg1A1 LYS 250 HE2 0.02 -0.06 -0.15 -0.04 2.99 2.76 1gg1A1 LYS 250 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 1gg1A1 GLU 251 H 0.02 0.52 -0.11 -0.55 8.60 8.48 1gg1A1 GLU 251 HA 0.01 0.05 0.50 -0.75 4.29 4.09 1gg1A1 GLY 252 H 0.02 0.47 -0.19 -0.55 8.43 8.18 1gg1A1 GLY 252 HA2 0.01 -0.02 0.38 -0.51 4.01 3.87 1gg1A1 GLY 252 HA3 0.02 -0.01 0.31 -0.51 4.01 3.81 1gg1A1 LEU 253 H 0.03 0.59 -0.16 -0.55 8.37 8.28 1gg1A1 LEU 253 HA 0.02 -0.03 0.37 -0.75 4.35 3.96 1gg1A1 LEU 253 HB2 0.04 0.04 0.14 -0.04 1.64 1.81 1gg1A1 LEU 253 HB3 0.04 0.18 -0.18 -0.04 1.64 1.64 1gg1A1 LEU 253 HG 0.04 -0.04 0.06 -0.04 1.64 1.66 1gg1A1 LEU 253 HD13 0.07 -0.00 0.06 -0.04 0.93 1.01 1gg1A1 LEU 253 HD23 0.05 -0.02 0.01 -0.04 0.89 0.89 1gg1A1 ASN 254 H 0.02 0.48 -0.18 -0.55 8.53 8.30 1gg1A1 ASN 254 HA 0.02 0.13 0.45 -0.75 4.76 4.60 1gg1A1 ASN 254 HB2 0.01 0.03 0.23 -0.04 2.88 3.11 1gg1A1 ASN 254 HB3 0.01 -0.07 0.04 -0.04 2.79 2.73 1gg1A1 ASN 254 HD21 0.02 -0.04 0.01 -0.04 7.03 6.98 1gg1A1 ASN 254 HD22 0.01 -0.08 0.01 -0.04 7.74 7.64 1gg1A1 LYS 255 H 0.01 0.68 -0.05 -0.55 8.42 8.51 1gg1A1 LYS 255 HA 0.01 -0.02 0.40 -0.75 4.32 3.94 1gg1A1 ALA 256 H 0.01 0.38 -0.48 -0.55 8.40 7.76 1gg1A1 ALA 256 HA 0.00 0.02 0.55 -0.75 4.34 4.16 1gg1A1 ALA 256 HB3 0.00 -0.02 0.09 -0.04 1.41 1.43 1gg1A1 GLY 257 H 0.01 0.60 -0.55 -0.55 8.43 7.95 1gg1A1 GLY 257 HA2 0.01 0.00 0.32 -0.51 4.01 3.84 1gg1A1 GLY 257 HA3 0.01 -0.05 0.41 -0.51 4.01 3.87 1gg1A1 LEU 258 H 0.02 0.65 -0.03 -0.55 8.37 8.46 1gg1A1 LEU 258 HA 0.03 0.21 0.92 -0.75 4.35 4.75 1gg1A1 LEU 258 HB2 0.03 -0.08 -0.00 -0.04 1.64 1.54 1gg1A1 LEU 258 HB3 0.04 0.07 0.03 -0.04 1.64 1.74 1gg1A1 LEU 258 HG 0.01 0.15 -0.33 -0.04 1.64 1.43 1gg1A1 LEU 258 HD13 0.01 -0.05 -0.01 -0.04 0.93 0.83 1gg1A1 LEU 258 HD23 0.03 0.02 -0.02 -0.04 0.89 0.88 1gg1A1 PRO 259 HA 0.03 -0.01 0.39 -0.51 4.44 4.33 1gg1A1 PRO 259 HB2 0.05 -0.00 0.06 -0.04 2.28 2.35 1gg1A1 PRO 259 HB3 0.03 0.08 0.08 -0.04 2.02 2.17 1gg1A1 PRO 259 HG2 0.05 0.12 0.12 -0.04 2.03 2.28 1gg1A1 PRO 259 HG3 0.03 0.02 0.10 -0.04 2.03 2.14 1gg1A1 PRO 259 HD2 0.06 0.10 0.22 -0.04 3.68 4.02 1gg1A1 PRO 259 HD3 0.04 0.17 0.26 -0.04 3.65 4.08 1gg1A1 ALA 260 H 0.03 0.12 0.13 -0.55 8.40 8.13 1gg1A1 ALA 260 HA 0.04 0.11 0.67 -0.75 4.34 4.41 1gg1A1 ALA 260 HB3 0.03 -0.02 0.20 -0.04 1.41 1.57 1gg1A1 GLN 261 H 0.06 0.47 0.12 -0.55 8.47 8.58 1gg1A1 GLN 261 HA 0.04 0.18 0.96 -0.75 4.36 4.79 1gg1A1 GLN 261 HB2 0.02 0.08 0.16 -0.04 2.15 2.37 1gg1A1 GLN 261 HB3 0.03 0.03 -0.18 -0.04 2.02 1.86 1gg1A1 GLN 261 HG2 0.08 -0.00 0.00 -0.04 2.40 2.44 1gg1A1 GLN 261 HG3 0.07 -0.09 -0.17 -0.04 2.39 2.16 1gg1A1 GLN 261 HE21 0.06 0.15 0.05 -0.04 6.97 7.19 1gg1A1 GLN 261 HE22 0.12 -0.04 -0.02 -0.04 7.69 7.71 1gg1A1 VAL 262 H 0.04 0.69 0.40 -0.55 8.24 8.82 1gg1A1 VAL 262 HA 0.14 0.19 0.86 -0.75 4.13 4.56 1gg1A1 VAL 262 HB 0.12 -0.06 -0.00 -0.04 2.12 2.14 1gg1A1 VAL 262 HG13 0.08 -0.00 -0.36 -0.04 0.97 0.66 1gg1A1 VAL 262 HG23 0.08 -0.01 -0.30 -0.04 0.95 0.68 1gg1A1 MET 263 H 0.19 0.43 0.27 -0.55 8.47 8.82 1gg1A1 MET 263 HA 0.01 0.35 0.79 -0.75 4.52 4.92 1gg1A1 MET 263 HB2 -0.01 0.09 -0.16 -0.04 2.15 2.02 1gg1A1 MET 263 HB3 0.35 0.03 0.05 -0.04 2.03 2.41 1gg1A1 MET 263 HG2 0.10 -0.15 -0.59 -0.04 2.63 1.94 1gg1A1 MET 263 HG3 -0.04 0.01 -0.64 -0.04 2.56 1.85 1gg1A1 MET 263 HE3 -0.54 0.03 -0.23 -0.04 2.10 1.31 1gg1A1 ILE 264 H 0.09 0.58 0.29 -0.55 8.25 8.65 1gg1A1 ILE 264 HA 0.17 0.12 1.15 -0.75 4.18 4.86 1gg1A1 ILE 264 HB 0.33 0.03 0.14 -0.04 1.89 2.35 1gg1A1 ILE 264 HG12 0.15 -0.02 -0.04 -0.04 1.49 1.54 1gg1A1 ILE 264 HG13 0.14 -0.00 -0.34 -0.04 1.21 0.96 1gg1A1 ILE 264 HG23 0.26 -0.02 -0.19 -0.04 0.93 0.94 1gg1A1 ILE 264 HD13 0.15 0.01 -0.01 -0.04 0.88 0.98 1gg1A1 ASP 265 H 0.17 0.67 0.19 -0.55 8.40 8.88 1gg1A1 ASP 265 HA 0.06 0.10 0.75 -0.75 4.63 4.79 1gg1A1 ASP 265 HB2 0.15 0.01 -0.09 -0.04 2.71 2.73 1gg1A1 ASP 265 HB3 0.17 0.06 0.16 -0.04 2.70 3.05 1gg1A1 PHE 266 H 0.08 0.71 0.37 -0.55 8.34 8.95 1gg1A1 PHE 266 HA -0.09 0.08 0.43 -0.75 4.62 4.28 1gg1A1 PHE 266 HB2 -0.06 -0.03 0.15 -0.04 3.15 3.17 1gg1A1 PHE 266 HB3 -0.10 -0.05 0.17 -0.04 3.06 3.04 1gg1A1 PHE 266 HD2 -0.06 -0.06 -0.22 -0.04 7.28 6.90 1gg1A1 PHE 266 HE2 -0.05 0.02 -0.04 -0.04 7.38 7.28 1gg1A1 PHE 266 HZ -0.05 0.08 -0.07 -0.04 7.32 7.23 1gg1A1 SER 267 H 0.12 0.06 -0.37 -0.55 8.46 7.72 1gg1A1 SER 267 HA 0.01 0.22 0.75 -0.75 4.49 4.71 1gg1A1 SER 267 HB2 -0.07 -0.07 0.03 -0.04 3.95 3.81 1gg1A1 SER 267 HB3 -0.22 0.06 -0.01 -0.04 3.93 3.72 1gg1A1 HIS 268 H -0.31 0.13 0.07 -0.55 8.41 7.76 1gg1A1 HIS 268 HA 0.04 0.05 0.32 -0.75 4.63 4.29 1gg1A1 HIS 268 HB2 0.05 0.22 0.04 -0.04 3.26 3.53 1gg1A1 HIS 268 HB3 0.04 0.06 0.17 -0.04 3.20 3.44 1gg1A1 HIS 268 HD2 0.03 0.03 0.00 -0.04 6.97 6.99 1gg1A1 HIS 268 HE1 -0.01 0.06 -0.12 -0.04 7.75 7.63 1gg1A1 ALA 269 H 0.19 0.31 0.23 -0.55 8.40 8.59 1gg1A1 ALA 269 HA 0.08 0.03 0.37 -0.75 4.34 4.06 1gg1A1 ALA 269 HB3 0.07 0.19 0.05 -0.04 1.41 1.67 1gg1A1 ASN 270 H 0.13 0.50 -0.34 -0.55 8.53 8.27 1gg1A1 ASN 270 HA 0.14 -0.01 0.60 -0.75 4.76 4.73 1gg1A1 ASN 270 HB2 0.13 0.33 -0.07 -0.04 2.88 3.23 1gg1A1 ASN 270 HB3 0.11 -0.01 -0.07 -0.04 2.79 2.77 1gg1A1 ASN 270 HD21 0.14 -0.17 -0.43 -0.04 7.03 6.54 1gg1A1 ASN 270 HD22 0.17 0.58 0.08 -0.04 7.74 8.54 1gg1A1 SER 271 H 0.05 0.18 -0.57 -0.55 8.46 7.58 1gg1A1 SER 271 HA -0.02 0.21 0.67 -0.75 4.49 4.60 1gg1A1 SER 271 HB2 -0.03 0.04 0.01 -0.04 3.95 3.93 1gg1A1 SER 271 HB3 -0.01 0.41 0.00 -0.04 3.93 4.29 1gg1A1 SER 272 H 0.05 0.19 -0.68 -0.55 8.46 7.48 1gg1A1 SER 272 HA 0.04 0.12 0.21 -0.75 4.49 4.09 1gg1A1 SER 272 HB2 0.00 0.09 -0.07 -0.04 3.95 3.94 1gg1A1 SER 272 HB3 0.01 0.00 0.14 -0.04 3.93 4.04 1gg1A1 LYS 273 H 0.03 0.34 -0.36 -0.55 8.42 7.87 1gg1A1 LYS 273 HA 0.02 -0.12 0.20 -0.75 4.32 3.67 1gg1A1 GLN 274 H -0.01 0.39 -0.36 -0.55 8.47 7.93 1gg1A1 GLN 274 HA -0.04 0.10 0.77 -0.75 4.36 4.44 1gg1A1 GLN 274 HB2 -0.07 0.23 0.12 -0.04 2.15 2.39 1gg1A1 GLN 274 HB3 -0.17 -0.16 0.07 -0.04 2.02 1.71 1gg1A1 GLN 274 HG2 -0.06 -0.04 0.03 -0.04 2.40 2.28 1gg1A1 GLN 274 HG3 -0.02 0.18 -0.43 -0.04 2.39 2.08 1gg1A1 GLN 274 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.87 1gg1A1 GLN 274 HE22 -0.01 0.14 -0.03 -0.04 7.69 7.74 1gg1A1 PHE 275 H 0.20 0.21 -0.03 -0.55 8.34 8.17 1gg1A1 PHE 275 HA -0.04 0.07 0.24 -0.75 4.62 4.15 1gg1A1 PHE 275 HB2 -0.02 -0.01 -0.37 -0.04 3.15 2.71 1gg1A1 PHE 275 HB3 -0.03 0.06 -0.29 -0.04 3.06 2.76 1gg1A1 PHE 275 HD2 -0.01 0.00 -0.15 -0.04 7.28 7.08 1gg1A1 PHE 275 HE2 -0.01 0.04 0.03 -0.04 7.38 7.40 1gg1A1 PHE 275 HZ -0.01 0.07 0.00 -0.04 7.32 7.35 1gg1A1 LYS 276 H -1.09 0.12 -0.21 -0.55 8.42 6.69 1gg1A1 LYS 276 HA -0.07 0.04 0.43 -0.75 4.32 3.97 1gg1A1 LYS 276 HB2 -0.21 0.07 -0.00 -0.04 1.87 1.69 1gg1A1 LYS 276 HB3 -0.30 0.01 0.09 -0.04 1.79 1.56 1gg1A1 LYS 276 HG2 -0.34 0.09 -0.01 -0.04 1.46 1.15 1gg1A1 LYS 276 HG3 -0.52 0.06 0.02 -0.04 1.46 0.99 1gg1A1 LYS 276 HD2 -2.78 -0.06 0.03 -0.04 1.69 -1.16 1gg1A1 LYS 276 HD3 -0.66 -0.13 -0.44 -0.04 1.68 0.41 1gg1A1 LYS 276 HE2 -0.35 0.12 0.01 -0.04 2.99 2.73 1gg1A1 LYS 276 HE3 -0.65 0.06 0.02 -0.04 2.99 2.38 1gg1A1 LYS 277 H -0.18 0.36 -0.20 -0.55 8.42 7.85 1gg1A1 LYS 277 HA -0.09 -0.02 0.36 -0.75 4.32 3.81 1gg1A1 GLN 278 H -0.03 0.48 -0.60 -0.55 8.47 7.78 1gg1A1 GLN 278 HA -0.04 0.18 0.48 -0.75 4.36 4.22 1gg1A1 GLN 278 HB2 0.06 0.08 0.08 -0.04 2.15 2.33 1gg1A1 GLN 278 HB3 0.13 -0.08 -0.01 -0.04 2.02 2.03 1gg1A1 GLN 278 HG2 0.05 0.14 -0.26 -0.04 2.40 2.30 1gg1A1 GLN 278 HG3 0.04 0.07 0.08 -0.04 2.39 2.54 1gg1A1 GLN 278 HE21 0.03 0.32 0.25 -0.04 6.97 7.53 1gg1A1 GLN 278 HE22 0.11 -0.05 0.10 -0.04 7.69 7.81 1gg1A1 MET 279 H -0.03 0.61 -0.05 -0.55 8.47 8.45 1gg1A1 MET 279 HA -0.02 0.08 0.49 -0.75 4.52 4.32 1gg1A1 MET 279 HB2 -0.04 0.08 0.12 -0.04 2.15 2.27 1gg1A1 MET 279 HB3 -0.04 0.01 0.04 -0.04 2.03 2.00 1gg1A1 MET 279 HG2 0.01 0.02 0.11 -0.04 2.63 2.73 1gg1A1 MET 279 HG3 -0.01 -0.03 0.05 -0.04 2.56 2.53 1gg1A1 MET 279 HE3 -0.03 0.00 0.01 -0.04 2.10 2.04 1gg1A1 ASP 280 H -0.10 0.22 -0.22 -0.55 8.40 7.75 1gg1A1 ASP 280 HA -0.10 0.05 0.45 -0.75 4.63 4.28 1gg1A1 ASP 280 HB2 -0.12 0.22 0.21 -0.04 2.71 2.98 1gg1A1 ASP 280 HB3 -0.08 -0.01 0.02 -0.04 2.70 2.58 1gg1A1 VAL 281 H -0.31 0.48 -0.04 -0.55 8.24 7.82 1gg1A1 VAL 281 HA -0.87 -0.03 0.36 -0.75 4.13 2.84 1gg1A1 VAL 281 HB -0.64 0.11 0.15 -0.04 2.12 1.69 1gg1A1 VAL 281 HG13 -1.08 -0.02 -0.08 -0.04 0.97 -0.26 1gg1A1 VAL 281 HG23 -0.58 0.07 0.03 -0.04 0.95 0.43 1gg1A1 CYS 282 H -0.39 0.39 -0.45 -0.55 8.50 7.49 1gg1A1 CYS 282 HA -0.61 0.01 0.32 -0.75 4.58 3.54 1gg1A1 CYS 282 HB2 0.07 0.04 0.14 -0.04 2.97 3.18 1gg1A1 CYS 282 HB3 -0.06 0.20 0.16 -0.04 2.97 3.23 1gg1A1 ALA 283 H -0.15 0.49 -0.08 -0.55 8.40 8.11 1gg1A1 ALA 283 HA -0.06 0.02 0.40 -0.75 4.34 3.94 1gg1A1 ALA 283 HB3 -0.06 0.02 0.14 -0.04 1.41 1.46 1gg1A1 ASP 284 H -0.14 0.52 -0.09 -0.55 8.40 8.14 1gg1A1 ASP 284 HA -0.01 -0.01 0.39 -0.75 4.63 4.25 1gg1A1 ASP 284 HB2 0.05 0.00 0.10 -0.04 2.71 2.82 1gg1A1 ASP 284 HB3 -0.06 0.10 0.14 -0.04 2.70 2.84 1gg1A1 VAL 285 H -0.23 0.71 0.00 -0.55 8.24 8.17 1gg1A1 VAL 285 HA 0.01 -0.03 0.38 -0.75 4.13 3.73 1gg1A1 VAL 285 HB -0.18 0.07 0.09 -0.04 2.12 2.06 1gg1A1 VAL 285 HG13 0.17 -0.00 -0.08 -0.04 0.97 1.01 1gg1A1 VAL 285 HG23 -0.23 0.04 0.02 -0.04 0.95 0.74 1gg1A1 CYS 286 H -0.06 0.77 -0.18 -0.55 8.50 8.49 1gg1A1 CYS 286 HA 0.02 0.02 0.43 -0.75 4.58 4.30 1gg1A1 CYS 286 HB2 -0.03 0.13 0.21 -0.04 2.97 3.24 1gg1A1 CYS 286 HB3 -0.01 -0.05 0.01 -0.04 2.97 2.88 1gg1A1 GLN 287 H -0.02 0.59 -0.08 -0.55 8.47 8.42 1gg1A1 GLN 287 HA -0.00 0.01 0.42 -0.75 4.36 4.03 1gg1A1 GLN 287 HB2 -0.01 -0.01 0.14 -0.04 2.15 2.24 1gg1A1 GLN 287 HB3 0.00 0.14 0.22 -0.04 2.02 2.34 1gg1A1 GLN 287 HG2 0.00 -0.00 -0.15 -0.04 2.40 2.21 1gg1A1 GLN 287 HG3 -0.00 -0.01 0.05 -0.04 2.39 2.39 1gg1A1 GLN 287 HE21 0.00 -0.05 -0.01 -0.04 6.97 6.87 1gg1A1 GLN 287 HE22 0.00 0.04 -0.01 -0.04 7.69 7.67 1gg1A1 GLN 288 H 0.01 0.47 -0.12 -0.55 8.47 8.28 1gg1A1 GLN 288 HA 0.02 -0.03 0.41 -0.75 4.36 4.01 1gg1A1 GLN 288 HB2 0.03 0.19 0.20 -0.04 2.15 2.53 1gg1A1 GLN 288 HB3 0.03 -0.06 0.04 -0.04 2.02 2.00 1gg1A1 GLN 288 HG2 0.03 -0.09 0.05 -0.04 2.40 2.34 1gg1A1 GLN 288 HG3 0.04 0.21 -0.00 -0.04 2.39 2.59 1gg1A1 GLN 288 HE21 0.11 0.40 -0.04 -0.04 6.97 7.40 1gg1A1 GLN 288 HE22 0.11 -0.06 -0.18 -0.04 7.69 7.51 1gg1A1 ILE 289 H 0.02 0.62 -0.02 -0.55 8.25 8.32 1gg1A1 ILE 289 HA 0.02 0.10 0.48 -0.75 4.18 4.03 1gg1A1 ILE 289 HB 0.02 -0.00 0.12 -0.04 1.89 1.98 1gg1A1 ILE 289 HG12 0.03 0.12 0.04 -0.04 1.49 1.64 1gg1A1 ILE 289 HG13 0.04 0.01 0.07 -0.04 1.21 1.29 1gg1A1 ILE 289 HG23 0.01 0.05 -0.23 -0.04 0.93 0.72 1gg1A1 ILE 289 HD13 0.05 -0.03 -0.09 -0.04 0.88 0.77 1gg1A1 ALA 290 H 0.01 0.73 -0.02 -0.55 8.40 8.58 1gg1A1 ALA 290 HA 0.00 0.11 0.47 -0.75 4.34 4.17 1gg1A1 ALA 290 HB3 0.00 -0.03 0.13 -0.04 1.41 1.46 1gg1A1 GLY 291 H 0.01 0.52 -0.26 -0.55 8.43 8.16 1gg1A1 GLY 291 HA2 0.00 -0.02 0.37 -0.51 4.01 3.85 1gg1A1 GLY 291 HA3 0.01 -0.08 0.34 -0.51 4.01 3.77 1gg1A1 GLY 292 H 0.01 0.43 -0.64 -0.55 8.43 7.68 1gg1A1 GLY 292 HA2 0.01 0.14 0.30 -0.51 4.01 3.94 1gg1A1 GLY 292 HA3 0.01 0.10 0.90 -0.51 4.01 4.50 1gg1A1 GLU 293 H 0.01 0.48 0.08 -0.55 8.60 8.63 1gg1A1 GLU 293 HA 0.01 -0.03 0.45 -0.75 4.29 3.97 1gg1A1 GLU 293 HB2 0.02 0.04 0.05 -0.04 2.09 2.16 1gg1A1 GLU 293 HB3 0.02 0.01 -0.11 -0.04 1.99 1.87 1gg1A1 GLU 293 HG2 0.04 -0.05 -0.05 -0.04 2.34 2.23 1gg1A1 GLU 293 HG3 0.03 -0.21 -0.15 -0.04 2.34 1.96 1gg1A1 LYS 294 H 0.01 0.20 0.32 -0.55 8.42 8.39 1gg1A1 LYS 294 HA 0.01 0.22 0.50 -0.75 4.32 4.30 1gg1A1 LYS 294 HB2 0.01 -0.07 0.06 -0.04 1.87 1.83 1gg1A1 LYS 294 HB3 0.00 0.05 0.10 -0.04 1.79 1.90 1gg1A1 LYS 294 HG2 0.01 0.05 0.16 -0.04 1.46 1.64 1gg1A1 LYS 294 HG3 0.00 -0.04 0.05 -0.04 1.46 1.43 1gg1A1 LYS 294 HD2 0.00 0.01 -0.05 -0.04 1.69 1.61 1gg1A1 LYS 294 HD3 0.01 -0.05 -0.40 -0.04 1.68 1.20 1gg1A1 LYS 294 HE2 0.00 0.11 -0.05 -0.04 2.99 3.01 1gg1A1 LYS 294 HE3 0.00 0.03 0.08 -0.04 2.99 3.06 1gg1A1 ALA 295 H 0.02 -0.05 -0.18 -0.55 8.40 7.65 1gg1A1 ALA 295 HA 0.02 0.22 0.54 -0.75 4.34 4.37 1gg1A1 ALA 295 HB3 0.03 -0.04 0.03 -0.04 1.41 1.39 1gg1A1 ILE 296 H 0.03 0.17 -0.34 -0.55 8.25 7.55 1gg1A1 ILE 296 HA 0.04 0.04 0.59 -0.75 4.18 4.09 1gg1A1 ILE 296 HB 0.04 0.14 0.13 -0.04 1.89 2.16 1gg1A1 ILE 296 HG12 0.07 -0.05 -0.07 -0.04 1.49 1.40 1gg1A1 ILE 296 HG13 0.05 -0.08 -0.05 -0.04 1.21 1.08 1gg1A1 ILE 296 HG23 0.07 -0.02 -0.06 -0.04 0.93 0.87 1gg1A1 ILE 296 HD13 0.06 -0.01 -0.02 -0.04 0.88 0.86 1gg1A1 ILE 297 H -0.01 0.42 0.47 -0.55 8.25 8.58 1gg1A1 ILE 297 HA -0.03 0.22 0.50 -0.75 4.18 4.11 1gg1A1 ILE 297 HB -0.04 -0.02 0.16 -0.04 1.89 1.96 1gg1A1 ILE 297 HG12 -0.03 -0.03 -0.03 -0.04 1.49 1.36 1gg1A1 ILE 297 HG13 -0.04 0.01 0.01 -0.04 1.21 1.15 1gg1A1 ILE 297 HG23 -0.18 -0.05 -0.23 -0.04 0.93 0.43 1gg1A1 ILE 297 HD13 -0.01 0.01 -0.03 -0.04 0.88 0.81 1gg1A1 GLY 298 H -0.04 0.24 0.05 -0.55 8.43 8.14 1gg1A1 GLY 298 HA2 -0.10 0.19 0.48 -0.51 4.01 4.07 1gg1A1 GLY 298 HA3 -0.16 -0.00 0.39 -0.51 4.01 3.73 1gg1A1 VAL 299 H -0.19 0.62 0.34 -0.55 8.24 8.46 1gg1A1 VAL 299 HA -0.10 0.02 0.86 -0.75 4.13 4.16 1gg1A1 VAL 299 HB -0.95 -0.04 0.13 -0.04 2.12 1.22 1gg1A1 VAL 299 HG13 0.12 -0.00 -0.20 -0.04 0.97 0.85 1gg1A1 VAL 299 HG23 -0.33 0.01 -0.16 -0.04 0.95 0.43 1gg1A1 MET 300 H -0.33 0.52 0.33 -0.55 8.47 8.45 1gg1A1 MET 300 HA -0.23 0.44 0.96 -0.75 4.52 4.94 1gg1A1 MET 300 HB2 -0.08 0.08 -0.22 -0.04 2.15 1.88 1gg1A1 MET 300 HB3 -0.00 -0.15 -0.02 -0.04 2.03 1.81 1gg1A1 MET 300 HG2 -0.00 -0.13 -0.31 -0.04 2.63 2.15 1gg1A1 MET 300 HG3 -0.04 0.16 -0.06 -0.04 2.56 2.58 1gg1A1 MET 300 HE3 0.40 0.02 -0.21 -0.04 2.10 2.27 1gg1A1 VAL 301 H -0.18 0.75 0.33 -0.55 8.24 8.60 1gg1A1 VAL 301 HA -0.12 -0.01 0.88 -0.75 4.13 4.13 1gg1A1 VAL 301 HB -0.16 0.03 -0.05 -0.04 2.12 1.91 1gg1A1 VAL 301 HG13 -0.04 -0.02 -0.25 -0.04 0.97 0.62 1gg1A1 VAL 301 HG23 -0.47 0.01 -0.32 -0.04 0.95 0.13 1gg1A1 GLU 302 H -0.05 0.11 0.09 -0.55 8.60 8.20 1gg1A1 GLU 302 HA -0.11 0.48 0.94 -0.75 4.29 4.85 1gg1A1 GLU 302 HB2 -0.10 -0.08 0.21 -0.04 2.09 2.09 1gg1A1 GLU 302 HB3 -0.09 0.01 0.02 -0.04 1.99 1.89 1gg1A1 GLU 302 HG2 -0.14 0.18 -0.15 -0.04 2.34 2.20 1gg1A1 GLU 302 HG3 -0.12 -0.08 -0.16 -0.04 2.34 1.95 1gg1A1 SER 303 H -0.05 0.49 0.16 -0.55 8.46 8.51 1gg1A1 SER 303 HA 0.05 0.06 0.94 -0.75 4.49 4.79 1gg1A1 SER 303 HB2 0.12 0.17 -0.03 -0.04 3.95 4.17 1gg1A1 SER 303 HB3 0.02 -0.08 -0.20 -0.04 3.93 3.62 1gg1A1 HIS 304 H 0.24 0.68 0.15 -0.55 8.41 8.94 1gg1A1 HIS 304 HA 0.14 0.11 0.62 -0.75 4.63 4.74 1gg1A1 HIS 304 HB2 -0.04 -0.11 -0.32 -0.04 3.26 2.75 1gg1A1 HIS 304 HB3 0.02 0.33 0.04 -0.04 3.20 3.54 1gg1A1 HIS 304 HD2 -0.07 -0.10 -0.08 -0.04 6.97 6.68 1gg1A1 HIS 304 HE1 -0.15 -0.07 -0.02 -0.04 7.75 7.46 1gg1A1 LEU 305 H 1.10 0.11 0.19 -0.55 8.37 9.23 1gg1A1 LEU 305 HA 0.30 0.04 0.54 -0.75 4.35 4.48 1gg1A1 LEU 305 HB2 0.06 0.11 0.28 -0.04 1.64 2.05 1gg1A1 LEU 305 HB3 0.10 0.01 0.09 -0.04 1.64 1.80 1gg1A1 LEU 305 HG 0.37 -0.05 0.16 -0.04 1.64 2.08 1gg1A1 LEU 305 HD13 -0.08 0.00 0.11 -0.04 0.93 0.92 1gg1A1 LEU 305 HD23 -0.05 0.00 0.02 -0.04 0.89 0.83 1gg1A1 VAL 306 H 0.00 0.45 0.12 -0.55 8.24 8.25 1gg1A1 VAL 306 HA 0.06 0.06 0.86 -0.75 4.13 4.35 1gg1A1 VAL 306 HB -0.02 -0.05 0.13 -0.04 2.12 2.14 1gg1A1 VAL 306 HG13 -0.00 0.03 -0.11 -0.04 0.97 0.85 1gg1A1 VAL 306 HG23 -0.14 0.11 -0.22 -0.04 0.95 0.66 1gg1A1 GLU 307 H -0.05 0.14 0.15 -0.55 8.60 8.29 1gg1A1 GLU 307 HA -0.19 0.29 0.69 -0.75 4.29 4.32 1gg1A1 GLU 307 HB2 -0.45 0.11 0.25 -0.04 2.09 1.96 1gg1A1 GLU 307 HB3 -0.05 -0.29 0.07 -0.04 1.99 1.68 1gg1A1 GLU 307 HG2 -0.02 -0.03 0.10 -0.04 2.34 2.35 1gg1A1 GLU 307 HG3 -0.13 0.07 -0.15 -0.04 2.34 2.10 1gg1A1 GLY 308 H -0.89 0.45 0.31 -0.55 8.43 7.76 1gg1A1 GLY 308 HA2 -0.65 -0.03 0.38 -0.51 4.01 3.20 1gg1A1 GLY 308 HA3 -0.28 0.22 0.76 -0.51 4.01 4.20 1gg1A1 ASN 309 H -0.10 0.31 0.22 -0.55 8.53 8.41 1gg1A1 ASN 309 HA -0.11 0.27 0.53 -0.75 4.76 4.69 1gg1A1 GLN 310 H -0.11 0.55 0.17 -0.55 8.47 8.54 1gg1A1 GLN 310 HA -0.06 0.09 0.81 -0.75 4.36 4.45 1gg1A1 GLN 310 HB2 -0.08 0.08 0.03 -0.04 2.15 2.14 1gg1A1 GLN 310 HB3 -0.08 -0.01 -0.13 -0.04 2.02 1.77 1gg1A1 GLN 310 HG2 -0.14 0.17 -0.16 -0.04 2.40 2.23 1gg1A1 GLN 310 HG3 -0.15 -0.03 -0.10 -0.04 2.39 2.07 1gg1A1 GLN 310 HE21 -0.06 0.09 0.02 -0.04 6.97 6.98 1gg1A1 GLN 310 HE22 -0.12 0.13 -0.18 -0.04 7.69 7.48 1gg1A1 SER 311 H -0.05 0.13 0.12 -0.55 8.46 8.12 1gg1A1 SER 311 HA -0.07 0.12 0.61 -0.75 4.49 4.40 1gg1A1 SER 311 HB2 -0.03 -0.02 0.04 -0.04 3.95 3.90 1gg1A1 SER 311 HB3 -0.02 0.01 0.09 -0.04 3.93 3.97 1gg1A1 LEU 312 H -0.11 0.18 0.17 -0.55 8.37 8.07 1gg1A1 LEU 312 HA -0.15 0.14 0.31 -0.75 4.35 3.89 1gg1A1 LEU 312 HB2 -0.28 0.03 0.15 -0.04 1.64 1.50 1gg1A1 LEU 312 HB3 -0.14 -0.04 0.16 -0.04 1.64 1.57 1gg1A1 LEU 312 HG -0.16 0.04 0.11 -0.04 1.64 1.58 1gg1A1 LEU 312 HD13 -0.27 0.02 0.04 -0.04 0.93 0.68 1gg1A1 LEU 312 HD23 -0.45 0.01 0.09 -0.04 0.89 0.51 1gg1A1 PRO 317 HA -0.02 -0.06 0.18 -0.51 4.44 4.03 1gg1A1 PRO 317 HB2 -0.01 -0.01 -0.14 -0.04 2.28 2.09 1gg1A1 PRO 317 HB3 -0.01 -0.02 0.05 -0.04 2.02 2.00 1gg1A1 PRO 317 HG2 -0.01 -0.02 -0.01 -0.04 2.03 1.96 1gg1A1 PRO 317 HG3 -0.01 -0.00 0.02 -0.04 2.03 1.99 1gg1A1 PRO 317 HD2 -0.01 -0.00 0.05 -0.04 3.68 3.67 1gg1A1 PRO 317 HD3 -0.01 0.00 0.06 -0.04 3.65 3.66 1gg1A1 LEU 318 H -0.00 0.13 0.04 -0.55 8.37 7.99 1gg1A1 LEU 318 HA -0.03 0.19 0.77 -0.75 4.35 4.52 1gg1A1 LEU 318 HB2 0.01 -0.04 0.04 -0.04 1.64 1.61 1gg1A1 LEU 318 HB3 0.05 -0.01 -0.21 -0.04 1.64 1.43 1gg1A1 LEU 318 HG -0.10 0.05 -0.09 -0.04 1.64 1.46 1gg1A1 LEU 318 HD13 -0.09 0.03 -0.27 -0.04 0.93 0.57 1gg1A1 LEU 318 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.77 1gg1A1 ALA 319 H -0.03 0.19 0.05 -0.55 8.40 8.06 1gg1A1 ALA 319 HA 0.03 0.04 0.44 -0.75 4.34 4.09 1gg1A1 ALA 319 HB3 -0.02 0.02 0.03 -0.04 1.41 1.39 1gg1A1 TYR 320 H 0.14 0.14 0.18 -0.55 8.29 8.21 1gg1A1 TYR 320 HA -0.02 -0.03 0.38 -0.75 4.56 4.14 1gg1A1 TYR 320 HB2 -0.02 0.06 0.14 -0.04 3.06 3.20 1gg1A1 TYR 320 HB3 -0.02 0.02 0.11 -0.04 2.98 3.05 1gg1A1 TYR 320 HD2 -0.02 0.02 -0.08 -0.04 7.15 7.02 1gg1A1 TYR 320 HE2 -0.01 -0.03 -0.08 -0.04 6.85 6.68 1gg1A1 GLY 321 H -0.57 0.06 0.17 -0.55 8.43 7.54 1gg1A1 GLY 321 HA2 -0.38 -0.06 0.35 -0.51 4.01 3.41 1gg1A1 GLY 321 HA3 -0.43 0.06 0.45 -0.51 4.01 3.57 1gg1A1 LYS 322 H -0.24 0.31 -0.16 -0.55 8.42 7.77 1gg1A1 LYS 322 HA -0.42 0.09 0.73 -0.75 4.32 3.96 1gg1A1 LYS 322 HB2 -0.14 0.03 -0.30 -0.04 1.87 1.41 1gg1A1 LYS 322 HB3 -0.13 0.06 -0.06 -0.04 1.79 1.61 1gg1A1 LYS 322 HG2 -0.15 0.06 -0.43 -0.04 1.46 0.89 1gg1A1 LYS 322 HG3 -0.16 0.04 -0.31 -0.04 1.46 0.98 1gg1A1 LYS 322 HD2 -0.08 -0.03 -0.12 -0.04 1.69 1.42 1gg1A1 LYS 322 HD3 -0.09 -0.04 -0.19 -0.04 1.68 1.33 1gg1A1 LYS 322 HE2 -0.11 -0.11 -0.30 -0.04 2.99 2.42 1gg1A1 LYS 322 HE3 -0.10 0.20 0.00 -0.04 2.99 3.05 1gg1A1 SER 323 H -0.20 0.18 -0.03 -0.55 8.46 7.86 1gg1A1 SER 323 HA -0.01 -0.01 0.34 -0.75 4.49 4.06 1gg1A1 SER 323 HB2 0.07 -0.06 0.10 -0.04 3.95 4.02 1gg1A1 SER 323 HB3 -0.07 0.20 0.12 -0.04 3.93 4.15 1gg1A1 ILE 324 H -0.23 0.09 0.15 -0.55 8.25 7.71 1gg1A1 ILE 324 HA -0.21 0.40 0.94 -0.75 4.18 4.55 1gg1A1 ILE 324 HB -0.38 -0.02 0.18 -0.04 1.89 1.63 1gg1A1 ILE 324 HG12 -0.58 -0.06 0.00 -0.04 1.49 0.81 1gg1A1 ILE 324 HG13 -0.26 -0.01 -0.26 -0.04 1.21 0.65 1gg1A1 ILE 324 HG23 -0.67 0.03 -0.05 -0.04 0.93 0.20 1gg1A1 ILE 324 HD13 -1.17 0.00 -0.04 -0.04 0.88 -0.37 1gg1A1 THR 325 H -0.03 -0.06 -0.20 -0.55 8.28 7.44 1gg1A1 THR 325 HA 0.05 0.27 0.94 -0.75 4.39 4.90 1gg1A1 THR 325 HB 0.10 0.03 0.04 -0.04 4.32 4.45 1gg1A1 THR 325 HG23 0.27 0.01 -0.19 -0.04 1.22 1.27 1gg1A1 ASP 326 H 0.03 0.05 0.08 -0.55 8.40 8.01 1gg1A1 ASP 326 HA 0.02 0.17 0.65 -0.75 4.63 4.71 1gg1A1 ASP 326 HB2 -0.03 -0.05 0.06 -0.04 2.71 2.66 1gg1A1 ASP 326 HB3 -0.05 0.04 0.05 -0.04 2.70 2.70 1gg1A1 ALA 327 H 0.02 0.10 0.08 -0.55 8.40 8.05 1gg1A1 ALA 327 HA -0.11 0.35 0.22 -0.75 4.34 4.04 1gg1A1 ALA 327 HB3 0.03 -0.03 0.00 -0.04 1.41 1.37 1gg1A1 CYS 328 H -0.26 0.33 0.29 -0.55 8.50 8.31 1gg1A1 CYS 328 HA -0.01 0.26 0.90 -0.75 4.58 4.98 1gg1A1 CYS 328 HB2 -0.02 0.02 -0.10 -0.04 2.97 2.83 1gg1A1 CYS 328 HB3 0.01 0.04 -0.27 -0.04 2.97 2.71 1gg1A1 ILE 329 H 0.04 0.50 0.37 -0.55 8.25 8.61 1gg1A1 ILE 329 HA 0.12 -0.00 0.66 -0.75 4.18 4.21 1gg1A1 ILE 329 HB 0.06 -0.06 0.00 -0.04 1.89 1.86 1gg1A1 ILE 329 HG12 0.04 0.13 0.06 -0.04 1.49 1.68 1gg1A1 ILE 329 HG13 0.02 0.05 -0.11 -0.04 1.21 1.13 1gg1A1 ILE 329 HG23 0.16 -0.01 -0.06 -0.04 0.93 0.98 1gg1A1 ILE 329 HD13 -0.01 -0.01 -0.26 -0.04 0.88 0.56 1gg1A1 GLY 330 H 0.05 0.02 0.08 -0.55 8.43 8.04 1gg1A1 GLY 330 HA2 0.09 0.29 -0.25 -0.51 4.01 3.63 1gg1A1 GLY 330 HA3 0.07 -0.06 0.20 -0.51 4.01 3.72 1gg1A1 TRP 331 H 0.28 0.48 0.17 -0.55 7.97 8.36 1gg1A1 TRP 331 HA 0.01 0.14 0.42 -0.75 4.62 4.43 1gg1A1 TRP 331 HB2 0.01 0.10 0.27 -0.04 3.23 3.56 1gg1A1 TRP 331 HB3 0.00 -0.03 0.19 -0.04 3.23 3.36 1gg1A1 TRP 331 HD1 -0.02 -0.01 -0.14 -0.04 7.22 7.01 1gg1A1 TRP 331 HE1 -0.05 0.05 -0.04 -0.04 10.20 10.11 1gg1A1 TRP 331 HE3 -0.25 0.06 -0.13 -0.04 7.59 7.22 1gg1A1 TRP 331 HZ2 -0.11 0.12 -0.12 -0.04 7.44 7.29 1gg1A1 TRP 331 HZ3 -0.89 0.03 -0.14 -0.04 7.13 6.09 1gg1A1 TRP 331 HH2 -0.24 0.05 -0.35 -0.04 7.19 6.61 1gg1A1 GLU 332 H 0.08 0.10 -0.10 -0.55 8.60 8.13 1gg1A1 GLU 332 HA -0.12 0.15 0.44 -0.75 4.29 4.01 1gg1A1 GLU 332 HB2 0.06 0.06 0.11 -0.04 2.09 2.27 1gg1A1 GLU 332 HB3 0.01 -0.08 0.08 -0.04 1.99 1.96 1gg1A1 GLU 332 HG2 -0.03 -0.00 -0.18 -0.04 2.34 2.09 1gg1A1 GLU 332 HG3 0.00 0.05 0.03 -0.04 2.34 2.38 1gg1A1 ASP 333 H -0.05 0.07 -0.19 -0.55 8.40 7.68 1gg1A1 ASP 333 HA -0.06 0.08 0.36 -0.75 4.63 4.25 1gg1A1 ASP 333 HB2 -0.00 -0.02 0.02 -0.04 2.71 2.67 1gg1A1 ASP 333 HB3 -0.01 0.05 -0.08 -0.04 2.70 2.62 1gg1A1 THR 334 H -0.27 0.26 -0.63 -0.55 8.28 7.09 1gg1A1 THR 334 HA -0.22 0.01 0.30 -0.75 4.39 3.72 1gg1A1 THR 334 HB -1.07 0.23 0.12 -0.04 4.32 3.56 1gg1A1 THR 334 HG23 -0.53 -0.01 -0.19 -0.04 1.22 0.44 1gg1A1 ASP 335 H -0.66 0.50 -0.07 -0.55 8.40 7.62 1gg1A1 ASP 335 HA -0.39 0.04 0.38 -0.75 4.63 3.91 1gg1A1 ASP 335 HB2 -0.43 0.01 0.12 -0.04 2.71 2.37 1gg1A1 ASP 335 HB3 -0.24 0.09 0.20 -0.04 2.70 2.71 1gg1A1 ALA 336 H -0.18 0.53 -0.12 -0.55 8.40 8.09 1gg1A1 ALA 336 HA -0.07 0.04 0.37 -0.75 4.34 3.93 1gg1A1 ALA 336 HB3 -0.06 0.00 0.07 -0.04 1.41 1.37 1gg1A1 LEU 337 H -0.12 0.65 -0.21 -0.55 8.37 8.14 1gg1A1 LEU 337 HA -0.03 -0.01 0.41 -0.75 4.35 3.97 1gg1A1 LEU 337 HB2 -0.03 -0.04 0.07 -0.04 1.64 1.60 1gg1A1 LEU 337 HB3 -0.10 0.08 0.15 -0.04 1.64 1.72 1gg1A1 LEU 337 HG 0.07 -0.02 -0.06 -0.04 1.64 1.59 1gg1A1 LEU 337 HD13 0.10 -0.03 -0.12 -0.04 0.93 0.84 1gg1A1 LEU 337 HD23 -0.10 0.01 -0.31 -0.04 0.89 0.45 1gg1A1 LEU 338 H -0.15 0.67 -0.11 -0.55 8.37 8.24 1gg1A1 LEU 338 HA -0.07 0.02 0.32 -0.75 4.35 3.87 1gg1A1 LEU 338 HB2 -0.15 0.10 0.12 -0.04 1.64 1.67 1gg1A1 LEU 338 HB3 -0.08 0.00 -0.06 -0.04 1.64 1.47 1gg1A1 LEU 338 HG -0.08 0.01 -0.08 -0.04 1.64 1.44 1gg1A1 LEU 338 HD13 -0.10 -0.02 -0.12 -0.04 0.93 0.65 1gg1A1 LEU 338 HD23 -0.24 0.03 -0.09 -0.04 0.89 0.55 1gg1A1 ARG 339 H -0.08 0.46 -0.25 -0.55 8.46 8.04 1gg1A1 ARG 339 HA -0.03 0.05 0.47 -0.75 4.34 4.07 1gg1A1 ARG 339 HB2 -0.05 0.07 0.13 -0.04 1.90 2.01 1gg1A1 ARG 339 HB3 -0.03 -0.04 -0.00 -0.04 1.80 1.69 1gg1A1 ARG 339 HG2 -0.03 -0.02 0.00 -0.04 1.67 1.57 1gg1A1 ARG 339 HG3 -0.06 0.26 0.08 -0.04 1.67 1.91 1gg1A1 ARG 339 HD2 -0.04 -0.05 -0.07 -0.04 3.22 3.02 1gg1A1 ARG 339 HD3 -0.02 -0.01 -0.03 -0.04 3.22 3.12 1gg1A1 GLN 340 H -0.03 0.59 -0.06 -0.55 8.47 8.42 1gg1A1 GLN 340 HA -0.02 -0.01 0.40 -0.75 4.36 3.99 1gg1A1 GLN 340 HB2 -0.01 0.12 0.18 -0.04 2.15 2.40 1gg1A1 GLN 340 HB3 -0.01 -0.04 -0.03 -0.04 2.02 1.90 1gg1A1 GLN 340 HG2 -0.02 -0.05 0.03 -0.04 2.40 2.33 1gg1A1 GLN 340 HG3 -0.03 0.19 0.07 -0.04 2.39 2.58 1gg1A1 GLN 340 HE21 -0.03 -0.07 -0.06 -0.04 6.97 6.76 1gg1A1 GLN 340 HE22 -0.03 -0.01 -0.11 -0.04 7.69 7.51 1gg1A1 LEU 341 H -0.01 0.46 -0.31 -0.55 8.37 7.97 1gg1A1 LEU 341 HA 0.02 0.01 0.41 -0.75 4.35 4.04 1gg1A1 LEU 341 HB2 -0.02 0.13 0.08 -0.04 1.64 1.78 1gg1A1 LEU 341 HB3 -0.01 0.03 -0.08 -0.04 1.64 1.54 1gg1A1 LEU 341 HG 0.04 0.21 0.01 -0.04 1.64 1.85 1gg1A1 LEU 341 HD13 -0.08 -0.03 -0.15 -0.04 0.93 0.63 1gg1A1 LEU 341 HD23 0.17 -0.02 -0.08 -0.04 0.89 0.92 1gg1A1 ALA 342 H -0.02 0.50 -0.07 -0.55 8.40 8.26 1gg1A1 ALA 342 HA -0.01 0.08 0.35 -0.75 4.34 4.00 1gg1A1 ALA 342 HB3 -0.02 0.01 0.10 -0.04 1.41 1.46 1gg1A1 ASN 343 H -0.01 0.50 -0.26 -0.55 8.53 8.22 1gg1A1 ASN 343 HA -0.01 0.03 0.42 -0.75 4.76 4.45 1gg1A1 ASN 343 HB2 -0.01 0.10 0.14 -0.04 2.88 3.07 1gg1A1 ASN 343 HB3 -0.01 -0.04 0.01 -0.04 2.79 2.71 1gg1A1 ASN 343 HD21 -0.01 -0.09 -0.08 -0.04 7.03 6.81 1gg1A1 ASN 343 HD22 -0.01 -0.04 -0.04 -0.04 7.74 7.60 1gg1A1 ALA 344 H -0.00 0.45 -0.09 -0.55 8.40 8.21 1gg1A1 ALA 344 HA 0.00 -0.03 0.36 -0.75 4.34 3.92 1gg1A1 ALA 344 HB3 0.01 0.03 0.15 -0.04 1.41 1.56 1gg1A1 VAL 345 H -0.00 0.48 -0.27 -0.55 8.24 7.89 1gg1A1 VAL 345 HA -0.00 0.06 0.36 -0.75 4.13 3.79 1gg1A1 VAL 345 HB -0.01 0.06 0.14 -0.04 2.12 2.27 1gg1A1 VAL 345 HG13 -0.01 0.05 -0.02 -0.04 0.97 0.95 1gg1A1 VAL 345 HG23 -0.01 0.08 0.03 -0.04 0.95 1.02 1gg1A1 LYS 346 H -0.00 0.38 -0.23 -0.55 8.42 8.01 1gg1A1 LYS 346 HA -0.00 -0.02 0.43 -0.75 4.32 3.97 1gg1A1 ALA 347 H -0.00 0.51 -0.09 -0.55 8.40 8.27 1gg1A1 ALA 347 HA -0.00 -0.03 0.40 -0.75 4.34 3.95 1gg1A1 ALA 347 HB3 -0.00 -0.02 0.12 -0.04 1.41 1.46 1gg1A1 ARG 348 H 0.00 0.54 -0.03 -0.55 8.46 8.42 1gg1A1 ARG 348 HA 0.00 -0.02 0.41 -0.75 4.34 3.98 1gg1A1 ARG 348 HB2 0.00 0.20 0.10 -0.04 1.90 2.17 1gg1A1 ARG 348 HB3 0.00 0.05 0.11 -0.04 1.80 1.92 1gg1A1 ARG 348 HG2 0.00 -0.05 -0.22 -0.04 1.67 1.36 1gg1A1 ARG 348 HG3 0.00 -0.16 -0.04 -0.04 1.67 1.43 1gg1A1 ARG 348 HD2 0.01 -0.10 -0.40 -0.04 3.22 2.69 1gg1A1 ARG 348 HD3 0.01 -0.03 -0.08 -0.04 3.22 3.07 1gg1A1 ARG 349 H -0.00 0.44 -0.40 -0.55 8.46 7.95 1gg1A1 ARG 349 HA -0.00 0.03 0.34 -0.75 4.34 3.96 1gg1A1 ARG 349 HB2 -0.00 -0.01 0.04 -0.04 1.90 1.89 1gg1A1 ARG 349 HB3 -0.00 0.16 0.13 -0.04 1.80 2.05 1gg1A1 ARG 349 HG2 -0.00 -0.03 0.06 -0.04 1.67 1.66 1gg1A1 ARG 349 HG3 -0.00 -0.06 0.05 -0.04 1.67 1.62 1gg1A1 ARG 349 HD2 -0.00 -0.09 0.02 -0.04 3.22 3.11 1gg1A1 ARG 349 HD3 -0.00 -0.04 0.01 -0.04 3.22 3.14