============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 8 1.040 16.468 37.671 2.625 -99.200 -91.000 TRP6 8 1.020 14.346 36.749 2.136 -99.200 -91.000 TYR 19 0.840 23.953 52.415 21.112 -99.200 -91.000 TRP 27 1.040 23.100 37.049 23.657 -99.200 -91.000 TRP6 27 1.020 21.134 36.000 24.459 -99.200 -91.000 PHE 29 1.000 19.467 44.265 20.298 -99.200 -91.000 TYR 62 0.840 15.993 28.013 27.308 -99.200 -91.000 PHE 71 1.000 26.034 29.061 23.416 -99.200 -91.000 PHE 76 1.000 16.976 31.345 16.250 -99.200 -91.000 TYR 78 0.840 12.503 32.392 26.349 -99.200 -91.000 TYR 91 0.840 10.550 41.939 28.414 -99.200 -91.000 TYR 93 0.840 19.041 46.402 24.582 -99.200 -91.000 TYR 102 0.840 6.228 35.386 27.226 -99.200 -91.000 TYR 106 0.840 2.027 43.559 27.273 -99.200 -91.000 TYR 114 0.840 17.385 25.354 17.164 -99.200 -91.000 TYR 119 0.840 33.295 25.185 11.569 -99.200 -91.000 HIS 143 0.900 40.823 40.194 15.013 -99.200 -91.000 PHE 146 1.000 32.718 43.704 13.416 -99.200 -91.000 PHE 147 1.000 35.189 46.885 18.715 -99.200 -91.000 TYR 149 0.840 32.540 48.123 7.262 -99.200 -91.000 TYR 154 0.840 36.276 43.601 8.905 -99.200 -91.000 TYR 155 0.840 41.112 39.460 3.841 -99.200 -91.000 HIS 165 0.900 29.360 41.654 17.538 -99.200 -91.000 TYR 172 0.840 23.644 35.710 -2.007 -99.200 -91.000 TYR 180 0.840 28.417 42.798 -0.800 -99.200 -91.000 TRP 181 1.040 29.113 35.754 3.563 -99.200 -91.000 TRP6 181 1.020 27.400 34.422 2.624 -99.200 -91.000 TRP 187 1.040 28.218 46.749 18.171 -99.200 -91.000 TRP6 187 1.020 30.453 46.460 17.451 -99.200 -91.000 HIS 189 0.900 19.498 53.899 13.807 -99.200 -91.000 PHE 191 1.000 29.779 48.571 12.890 -99.200 -91.000 TYR 196 0.840 21.831 46.982 7.482 -99.200 -91.000 HIS 206 0.900 37.737 37.988 6.533 -99.200 -91.000 PHE 212 1.000 30.161 27.085 15.695 -99.200 -91.000 TYR 215 0.840 16.956 28.080 8.108 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g7yB1 ILE 0 HA 0.01 -0.12 0.19 -0.75 4.18 3.50 2g7yB1 ILE 0 HB 0.00 -0.01 -0.02 -0.04 1.89 1.82 2g7yB1 ILE 0 HG12 0.00 -0.01 0.02 -0.04 1.49 1.46 2g7yB1 ILE 0 HG13 -0.00 -0.01 -0.01 -0.04 1.21 1.15 2g7yB1 ILE 0 HG23 0.00 0.01 -0.15 -0.04 0.93 0.74 2g7yB1 ILE 0 HD13 -0.00 -0.01 0.02 -0.04 0.88 0.85 2g7yB1 LEU 1 H 0.01 0.05 0.06 -0.55 8.37 7.95 2g7yB1 LEU 1 HA 0.04 0.25 0.84 -0.75 4.35 4.73 2g7yB1 LEU 1 HB2 0.03 -0.07 -0.03 -0.04 1.64 1.53 2g7yB1 LEU 1 HB3 0.11 0.09 -0.00 -0.04 1.64 1.79 2g7yB1 LEU 1 HG 0.02 -0.06 -0.13 -0.04 1.64 1.43 2g7yB1 LEU 1 HD13 0.01 -0.02 -0.14 -0.04 0.93 0.75 2g7yB1 LEU 1 HD23 0.06 0.04 -0.10 -0.04 0.89 0.85 2g7yB1 PRO 2 HA 0.00 0.01 0.46 -0.51 4.44 4.40 2g7yB1 PRO 2 HB2 -0.04 0.06 -0.05 -0.04 2.28 2.20 2g7yB1 PRO 2 HB3 -0.06 0.01 0.12 -0.04 2.02 2.05 2g7yB1 PRO 2 HG2 -0.03 0.09 0.06 -0.04 2.03 2.11 2g7yB1 PRO 2 HG3 -0.02 0.05 0.04 -0.04 2.03 2.07 2g7yB1 PRO 2 HD2 0.11 0.07 0.14 -0.04 3.68 3.97 2g7yB1 PRO 2 HD3 0.04 0.22 0.20 -0.04 3.65 4.08 2g7yB1 ASP 3 H -0.01 0.10 0.17 -0.55 8.40 8.11 2g7yB1 ASP 3 HA 0.05 0.09 0.40 -0.75 4.63 4.42 2g7yB1 ASP 3 HB2 -0.03 -0.02 0.12 -0.04 2.71 2.74 2g7yB1 ASP 3 HB3 -0.03 -0.04 0.00 -0.04 2.70 2.60 2g7yB1 SER 4 H -0.09 0.15 -0.09 -0.55 8.46 7.88 2g7yB1 SER 4 HA -0.31 0.25 0.72 -0.75 4.49 4.39 2g7yB1 SER 4 HB2 -0.12 -0.05 0.00 -0.04 3.95 3.74 2g7yB1 SER 4 HB3 -0.16 0.06 0.11 -0.04 3.93 3.90 2g7yB1 VAL 5 H -0.62 0.64 0.36 -0.55 8.24 8.07 2g7yB1 VAL 5 HA -0.36 0.16 0.75 -0.75 4.13 3.92 2g7yB1 VAL 5 HB -0.73 -0.13 -0.01 -0.04 2.12 1.21 2g7yB1 VAL 5 HG13 -0.41 0.04 -0.14 -0.04 0.97 0.42 2g7yB1 VAL 5 HG23 -0.39 0.02 -0.27 -0.04 0.95 0.27 2g7yB1 ASP 6 H -0.32 0.28 0.04 -0.55 8.40 7.85 2g7yB1 ASP 6 HA -0.01 0.20 0.80 -0.75 4.63 4.86 2g7yB1 ASP 6 HB2 -0.06 0.08 -0.11 -0.04 2.71 2.57 2g7yB1 ASP 6 HB3 -0.10 -0.00 0.16 -0.04 2.70 2.72 2g7yB1 TRP 7 H 0.24 0.81 0.26 -0.55 7.97 8.73 2g7yB1 TRP 7 HA -0.00 0.10 0.44 -0.75 4.62 4.40 2g7yB1 TRP 7 HB2 0.05 0.06 0.15 -0.04 3.23 3.45 2g7yB1 TRP 7 HB3 0.03 -0.02 0.04 -0.04 3.23 3.24 2g7yB1 TRP 7 HD1 0.05 0.01 -0.27 -0.04 7.22 6.97 2g7yB1 TRP 7 HE1 0.04 0.64 -0.03 -0.04 10.20 10.81 2g7yB1 TRP 7 HE3 0.01 -0.11 0.03 -0.04 7.59 7.48 2g7yB1 TRP 7 HZ2 -0.00 0.15 -0.30 -0.04 7.44 7.25 2g7yB1 TRP 7 HZ3 0.01 0.03 -0.02 -0.04 7.13 7.10 2g7yB1 TRP 7 HH2 -0.00 0.07 -0.16 -0.04 7.19 7.06 2g7yB1 ARG 8 H 0.10 0.09 -0.41 -0.55 8.46 7.69 2g7yB1 ARG 8 HA 0.12 0.06 0.47 -0.75 4.34 4.23 2g7yB1 ARG 8 HB2 -0.02 -0.01 -0.00 -0.04 1.90 1.83 2g7yB1 ARG 8 HB3 0.01 0.07 0.02 -0.04 1.80 1.86 2g7yB1 ARG 8 HG2 0.12 0.06 -0.04 -0.04 1.67 1.77 2g7yB1 ARG 8 HG3 0.09 -0.07 -0.03 -0.04 1.67 1.62 2g7yB1 ARG 8 HD2 -0.20 0.05 -0.05 -0.04 3.22 2.98 2g7yB1 ARG 8 HD3 -0.43 0.00 -0.08 -0.04 3.22 2.68 2g7yB1 GLU 9 H -0.03 0.38 -0.16 -0.55 8.60 8.24 2g7yB1 GLU 9 HA -0.02 0.07 0.41 -0.75 4.29 4.00 2g7yB1 GLU 9 HB2 -0.11 0.09 0.06 -0.04 2.09 2.08 2g7yB1 GLU 9 HB3 -0.06 -0.00 0.09 -0.04 1.99 1.97 2g7yB1 GLU 9 HG2 -0.05 -0.03 0.02 -0.04 2.34 2.24 2g7yB1 GLU 9 HG3 -0.07 -0.02 0.12 -0.04 2.34 2.33 2g7yB1 LYS 10 H 0.01 0.15 -0.50 -0.55 8.42 7.52 2g7yB1 LYS 10 HA -0.01 0.17 0.68 -0.75 4.32 4.41 2g7yB1 LYS 10 HB2 0.19 0.04 0.06 -0.04 1.87 2.12 2g7yB1 LYS 10 HB3 0.03 0.05 0.13 -0.04 1.79 1.96 2g7yB1 LYS 10 HG2 -0.22 0.02 -0.08 -0.04 1.46 1.13 2g7yB1 LYS 10 HG3 -0.29 -0.07 -0.02 -0.04 1.46 1.04 2g7yB1 LYS 10 HD2 -1.55 0.01 -0.00 -0.04 1.69 0.11 2g7yB1 LYS 10 HD3 -0.60 0.06 -0.01 -0.04 1.68 1.09 2g7yB1 LYS 10 HE2 -1.01 -0.15 -0.15 -0.04 2.99 1.64 2g7yB1 LYS 10 HE3 -1.23 0.13 -0.03 -0.04 2.99 1.82 2g7yB1 GLY 11 H 0.07 0.31 -0.47 -0.55 8.43 7.79 2g7yB1 GLY 11 HA2 0.07 0.02 0.30 -0.51 4.01 3.89 2g7yB1 GLY 11 HA3 0.07 0.07 0.38 -0.51 4.01 4.02 2g7yB1 CYS 12 H 0.19 0.30 -0.11 -0.55 8.50 8.33 2g7yB1 CYS 12 HA 0.10 0.23 0.83 -0.75 4.58 4.99 2g7yB1 CYS 12 HB2 0.38 -0.01 0.04 -0.04 2.97 3.34 2g7yB1 CYS 12 HB3 0.06 -0.08 0.24 -0.04 2.97 3.14 2g7yB1 VAL 13 H 0.12 0.17 -0.19 -0.55 8.24 7.79 2g7yB1 VAL 13 HA 0.09 0.17 0.91 -0.75 4.13 4.54 2g7yB1 VAL 13 HB 0.15 -0.05 0.01 -0.04 2.12 2.20 2g7yB1 VAL 13 HG13 0.20 0.06 -0.11 -0.04 0.97 1.07 2g7yB1 VAL 13 HG23 0.20 0.00 -0.36 -0.04 0.95 0.75 2g7yB1 THR 14 H 0.07 0.10 0.01 -0.55 8.28 7.91 2g7yB1 THR 14 HA 0.07 0.13 0.41 -0.75 4.39 4.25 2g7yB1 THR 14 HB 0.06 -0.11 0.09 -0.04 4.32 4.31 2g7yB1 THR 14 HG23 0.05 0.01 -0.24 -0.04 1.22 0.99 2g7yB1 GLU 15 H 0.07 0.04 0.09 -0.55 8.60 8.26 2g7yB1 GLU 15 HA 0.12 0.10 0.40 -0.75 4.29 4.16 2g7yB1 GLU 15 HB2 0.14 0.03 0.10 -0.04 2.09 2.32 2g7yB1 GLU 15 HB3 0.08 0.01 0.12 -0.04 1.99 2.15 2g7yB1 GLU 15 HG2 0.08 -0.12 0.01 -0.04 2.34 2.27 2g7yB1 GLU 15 HG3 0.11 0.11 -0.36 -0.04 2.34 2.16 2g7yB1 VAL 16 H 0.20 0.11 0.14 -0.55 8.24 8.14 2g7yB1 VAL 16 HA -0.06 0.10 0.50 -0.75 4.13 3.91 2g7yB1 VAL 16 HB 0.25 -0.06 0.05 -0.04 2.12 2.32 2g7yB1 VAL 16 HG13 -0.11 0.04 -0.23 -0.04 0.97 0.63 2g7yB1 VAL 16 HG23 -0.08 0.04 0.07 -0.04 0.95 0.94 2g7yB1 LYS 17 H -0.23 0.17 0.20 -0.55 8.42 8.01 2g7yB1 LYS 17 HA -0.15 0.20 0.77 -0.75 4.32 4.40 2g7yB1 LYS 17 HB2 -0.87 -0.03 0.01 -0.04 1.87 0.93 2g7yB1 LYS 17 HB3 -0.45 -0.05 0.04 -0.04 1.79 1.29 2g7yB1 LYS 17 HG2 -0.06 0.13 -0.03 -0.04 1.46 1.45 2g7yB1 LYS 17 HG3 0.12 -0.06 -0.02 -0.04 1.46 1.46 2g7yB1 LYS 17 HD2 0.03 -0.05 -0.04 -0.04 1.69 1.59 2g7yB1 LYS 17 HD3 0.00 0.12 -0.42 -0.04 1.68 1.35 2g7yB1 LYS 17 HE2 0.08 -0.07 -0.03 -0.04 2.99 2.93 2g7yB1 LYS 17 HE3 0.06 -0.02 -0.07 -0.04 2.99 2.92 2g7yB1 TYR 18 H -0.13 0.24 0.07 -0.55 8.29 7.92 2g7yB1 TYR 18 HA -0.19 0.09 0.70 -0.75 4.56 4.41 2g7yB1 TYR 18 HB2 -0.17 -0.04 -0.11 -0.04 3.06 2.70 2g7yB1 TYR 18 HB3 -0.07 0.05 0.12 -0.04 2.98 3.03 2g7yB1 TYR 18 HD2 0.01 0.04 -0.30 -0.04 7.15 6.86 2g7yB1 TYR 18 HE2 -0.00 0.07 -0.04 -0.04 6.85 6.84 2g7yB1 GLN 19 H -0.37 0.63 0.24 -0.55 8.47 8.42 2g7yB1 GLN 19 HA -0.07 0.01 0.49 -0.75 4.36 4.03 2g7yB1 GLN 19 HB2 0.18 -0.05 0.14 -0.04 2.15 2.38 2g7yB1 GLN 19 HB3 -0.19 -0.05 0.10 -0.04 2.02 1.83 2g7yB1 GLN 19 HG2 0.07 0.11 0.21 -0.04 2.40 2.75 2g7yB1 GLN 19 HG3 -0.02 0.25 -0.09 -0.04 2.39 2.50 2g7yB1 GLN 19 HE21 0.35 -0.15 0.04 -0.04 6.97 7.17 2g7yB1 GLN 19 HE22 0.19 0.24 -0.05 -0.04 7.69 8.03 2g7yB1 GLY 20 H -1.09 0.02 -0.16 -0.55 8.43 6.65 2g7yB1 GLY 20 HA2 -0.50 0.05 0.27 -0.51 4.01 3.32 2g7yB1 GLY 20 HA3 -0.06 0.07 0.44 -0.51 4.01 3.95 2g7yB1 SER 21 H -0.00 0.17 0.20 -0.55 8.46 8.28 2g7yB1 SER 21 HA -0.04 0.11 0.48 -0.75 4.49 4.28 2g7yB1 SER 21 HB2 -0.00 0.06 0.13 -0.04 3.95 4.10 2g7yB1 SER 21 HB3 -0.01 0.01 0.18 -0.04 3.93 4.07 2g7yB1 CYS 22 H 0.05 0.26 -0.39 -0.55 8.50 7.88 2g7yB1 CYS 22 HA 0.06 0.16 0.82 -0.75 4.58 4.87 2g7yB1 CYS 22 HB2 0.02 0.25 -0.18 -0.04 2.97 3.02 2g7yB1 CYS 22 HB3 0.20 0.12 0.12 -0.04 2.97 3.36 2g7yB1 GLY 23 H 0.10 0.52 0.27 -0.55 8.43 8.77 2g7yB1 GLY 23 HA2 0.16 0.07 0.53 -0.51 4.01 4.26 2g7yB1 GLY 23 HA3 0.14 0.16 0.40 -0.51 4.01 4.20 2g7yB1 ALA 24 H 0.15 0.61 -0.17 -0.55 8.40 8.44 2g7yB1 ALA 24 HA -0.23 0.23 0.69 -0.75 4.34 4.28 2g7yB1 ALA 24 HB3 -0.15 0.01 -0.04 -0.04 1.41 1.19 2g7yB1 CYS 25 H 0.09 0.23 -0.24 -0.55 8.50 8.03 2g7yB1 CYS 25 HA -0.02 0.06 0.38 -0.75 4.58 4.25 2g7yB1 CYS 25 HB2 -0.50 0.40 0.17 -0.04 2.97 3.00 2g7yB1 CYS 25 HB3 -0.11 0.05 0.14 -0.04 2.97 3.01 2g7yB1 TRP 26 H 0.18 0.16 -0.34 -0.55 7.97 7.42 2g7yB1 TRP 26 HA -0.18 0.06 0.34 -0.75 4.62 4.09 2g7yB1 TRP 26 HB2 -0.20 -0.03 -0.39 -0.04 3.23 2.57 2g7yB1 TRP 26 HB3 -0.20 0.10 -0.00 -0.04 3.23 3.09 2g7yB1 TRP 26 HD1 -0.12 0.05 0.00 -0.04 7.22 7.12 2g7yB1 TRP 26 HE1 -0.09 0.50 -0.01 -0.04 10.20 10.56 2g7yB1 TRP 26 HE3 -0.21 0.00 -0.52 -0.04 7.59 6.82 2g7yB1 TRP 26 HZ2 -0.12 -0.05 -0.04 -0.04 7.44 7.19 2g7yB1 TRP 26 HZ3 -0.21 0.02 -0.09 -0.04 7.13 6.81 2g7yB1 TRP 26 HH2 -0.19 0.34 -0.17 -0.04 7.19 7.13 2g7yB1 ALA 27 H -1.60 0.21 -0.28 -0.55 8.40 6.19 2g7yB1 ALA 27 HA -0.81 0.07 0.41 -0.75 4.34 3.26 2g7yB1 ALA 27 HB3 -1.42 0.04 0.07 -0.04 1.41 0.05 2g7yB1 PHE 28 H -0.46 0.47 -0.11 -0.55 8.34 7.69 2g7yB1 PHE 28 HA -0.26 -0.01 0.38 -0.75 4.62 3.97 2g7yB1 PHE 28 HB2 -0.29 0.10 0.08 -0.04 3.15 2.99 2g7yB1 PHE 28 HB3 -0.23 0.04 -0.06 -0.04 3.06 2.77 2g7yB1 PHE 28 HD2 -0.29 0.04 -0.13 -0.04 7.28 6.86 2g7yB1 PHE 28 HE2 -0.54 0.01 -0.04 -0.04 7.38 6.77 2g7yB1 PHE 28 HZ -1.82 0.03 -0.09 -0.04 7.32 5.40 2g7yB1 SER 29 H -0.12 0.52 -0.32 -0.55 8.46 7.99 2g7yB1 SER 29 HA -0.05 0.04 0.23 -0.75 4.49 3.95 2g7yB1 SER 29 HB2 -0.11 0.03 -0.29 -0.04 3.95 3.54 2g7yB1 SER 29 HB3 -0.08 0.03 0.08 -0.04 3.93 3.93 2g7yB1 ALA 30 H -0.16 0.46 -0.23 -0.55 8.40 7.92 2g7yB1 ALA 30 HA -0.00 0.03 0.37 -0.75 4.34 3.99 2g7yB1 ALA 30 HB3 -0.30 0.01 0.09 -0.04 1.41 1.16 2g7yB1 VAL 31 H -0.13 0.58 -0.10 -0.55 8.24 8.03 2g7yB1 VAL 31 HA 0.02 0.04 0.35 -0.75 4.13 3.78 2g7yB1 VAL 31 HB -0.04 -0.10 -0.07 -0.04 2.12 1.86 2g7yB1 VAL 31 HG13 -0.17 0.02 -0.29 -0.04 0.97 0.49 2g7yB1 VAL 31 HG23 -0.10 0.05 0.02 -0.04 0.95 0.87 2g7yB1 GLY 32 H -0.00 0.54 -0.31 -0.55 8.43 8.11 2g7yB1 GLY 32 HA2 0.02 -0.04 0.38 -0.51 4.01 3.86 2g7yB1 GLY 32 HA3 0.01 0.09 0.27 -0.51 4.01 3.88 2g7yB1 ALA 33 H 0.08 0.43 -0.21 -0.55 8.40 8.15 2g7yB1 ALA 33 HA -0.02 0.09 0.40 -0.75 4.34 4.05 2g7yB1 ALA 33 HB3 0.15 0.02 0.14 -0.04 1.41 1.68 2g7yB1 LEU 34 H 0.09 0.38 -0.14 -0.55 8.37 8.15 2g7yB1 LEU 34 HA -0.04 0.06 0.42 -0.75 4.35 4.04 2g7yB1 LEU 34 HB2 0.08 0.01 0.05 -0.04 1.64 1.74 2g7yB1 LEU 34 HB3 0.05 0.03 0.05 -0.04 1.64 1.73 2g7yB1 LEU 34 HG 0.01 -0.02 -0.13 -0.04 1.64 1.46 2g7yB1 LEU 34 HD13 -0.04 0.04 -0.05 -0.04 0.93 0.84 2g7yB1 LEU 34 HD23 0.05 -0.02 -0.21 -0.04 0.89 0.66 2g7yB1 GLU 35 H 0.01 0.59 -0.16 -0.55 8.60 8.49 2g7yB1 GLU 35 HA 0.01 0.00 0.45 -0.75 4.29 4.00 2g7yB1 GLU 35 HB2 0.02 0.17 0.19 -0.04 2.09 2.43 2g7yB1 GLU 35 HB3 0.02 -0.08 0.01 -0.04 1.99 1.91 2g7yB1 GLU 35 HG2 0.02 0.19 0.15 -0.04 2.34 2.66 2g7yB1 GLU 35 HG3 0.02 0.27 0.11 -0.04 2.34 2.69 2g7yB1 ALA 36 H -0.04 0.39 -0.20 -0.55 8.40 8.00 2g7yB1 ALA 36 HA -0.03 0.08 0.60 -0.75 4.34 4.24 2g7yB1 ALA 36 HB3 -0.22 0.05 0.22 -0.04 1.41 1.42 2g7yB1 GLN 37 H -0.08 0.32 -0.08 -0.55 8.47 8.08 2g7yB1 GLN 37 HA -0.07 0.10 0.52 -0.75 4.36 4.16 2g7yB1 GLN 37 HB2 -0.05 0.04 0.11 -0.04 2.15 2.21 2g7yB1 GLN 37 HB3 -0.04 -0.14 0.06 -0.04 2.02 1.86 2g7yB1 GLN 37 HG2 -0.10 0.16 0.12 -0.04 2.40 2.54 2g7yB1 GLN 37 HG3 -0.06 0.11 -0.06 -0.04 2.39 2.34 2g7yB1 GLN 37 HE21 -0.22 0.49 0.08 -0.04 6.97 7.27 2g7yB1 GLN 37 HE22 -0.21 -0.04 0.02 -0.04 7.69 7.42 2g7yB1 LEU 38 H -0.01 0.58 -0.12 -0.55 8.37 8.27 2g7yB1 LEU 38 HA 0.01 -0.03 0.50 -0.75 4.35 4.07 2g7yB1 LEU 38 HB2 0.01 -0.04 0.14 -0.04 1.64 1.71 2g7yB1 LEU 38 HB3 0.01 0.13 0.24 -0.04 1.64 1.99 2g7yB1 LEU 38 HG 0.02 0.08 -0.10 -0.04 1.64 1.60 2g7yB1 LEU 38 HD13 0.02 -0.04 0.14 -0.04 0.93 1.01 2g7yB1 LEU 38 HD23 0.03 -0.03 0.02 -0.04 0.89 0.87 2g7yB1 LYS 39 H 0.01 0.50 -0.09 -0.55 8.42 8.28 2g7yB1 LYS 39 HA 0.03 0.06 0.34 -0.75 4.32 4.00 2g7yB1 LYS 39 HB2 0.04 -0.04 0.11 -0.04 1.87 1.94 2g7yB1 LYS 39 HB3 0.04 0.15 0.23 -0.04 1.79 2.16 2g7yB1 LYS 39 HG2 0.08 0.15 -0.12 -0.04 1.46 1.54 2g7yB1 LYS 39 HG3 0.08 -0.01 -0.34 -0.04 1.46 1.15 2g7yB1 LYS 39 HD2 0.04 -0.24 -0.38 -0.04 1.69 1.08 2g7yB1 LYS 39 HD3 0.05 -0.10 -0.37 -0.04 1.68 1.21 2g7yB1 LYS 39 HE2 0.06 0.15 -0.01 -0.04 2.99 3.15 2g7yB1 LYS 39 HE3 0.06 -0.04 -0.07 -0.04 2.99 2.89 2g7yB1 LEU 40 H 0.01 0.51 -0.11 -0.55 8.37 8.24 2g7yB1 LEU 40 HA 0.07 0.03 0.39 -0.75 4.35 4.08 2g7yB1 LEU 40 HB2 0.00 0.06 0.18 -0.04 1.64 1.84 2g7yB1 LEU 40 HB3 0.05 -0.05 0.07 -0.04 1.64 1.67 2g7yB1 LEU 40 HG 0.01 0.22 0.14 -0.04 1.64 1.96 2g7yB1 LEU 40 HD13 -0.10 -0.03 0.03 -0.04 0.93 0.78 2g7yB1 LEU 40 HD23 0.25 -0.03 0.02 -0.04 0.89 1.08 2g7yB1 LYS 41 H 0.02 0.36 -0.29 -0.55 8.42 7.95 2g7yB1 LYS 41 HA 0.02 0.10 0.74 -0.75 4.32 4.43 2g7yB1 THR 42 H 0.02 0.64 0.18 -0.55 8.28 8.57 2g7yB1 THR 42 HA 0.02 0.22 1.04 -0.75 4.39 4.91 2g7yB1 THR 42 HB 0.02 -0.05 0.12 -0.04 4.32 4.37 2g7yB1 THR 42 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.17 2g7yB1 GLY 43 H 0.03 0.61 0.13 -0.55 8.43 8.65 2g7yB1 GLY 43 HA2 0.04 0.12 0.35 -0.51 4.01 4.01 2g7yB1 GLY 43 HA3 0.03 0.05 0.61 -0.51 4.01 4.20 2g7yB1 LYS 44 H 0.03 0.07 -0.25 -0.55 8.42 7.72 2g7yB1 LYS 44 HA 0.03 0.16 0.87 -0.75 4.32 4.63 2g7yB1 LYS 44 HB2 0.03 -0.02 -0.03 -0.04 1.87 1.81 2g7yB1 LYS 44 HB3 0.03 -0.03 -0.07 -0.04 1.79 1.67 2g7yB1 LYS 44 HG2 0.02 0.03 -0.15 -0.04 1.46 1.33 2g7yB1 LYS 44 HG3 0.02 0.10 -0.23 -0.04 1.46 1.32 2g7yB1 LYS 44 HD2 0.03 -0.01 -0.04 -0.04 1.69 1.63 2g7yB1 LYS 44 HD3 0.02 -0.04 -0.04 -0.04 1.68 1.58 2g7yB1 LYS 44 HE2 0.02 0.07 -0.01 -0.04 2.99 3.03 2g7yB1 LYS 44 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.92 2g7yB1 LEU 45 H 0.03 0.19 0.11 -0.55 8.37 8.16 2g7yB1 LEU 45 HA 0.04 0.18 0.79 -0.75 4.35 4.61 2g7yB1 LEU 45 HB2 0.05 0.21 0.03 -0.04 1.64 1.88 2g7yB1 LEU 45 HB3 0.04 -0.06 0.16 -0.04 1.64 1.74 2g7yB1 LEU 45 HG 0.05 -0.14 -0.33 -0.04 1.64 1.18 2g7yB1 LEU 45 HD13 0.05 0.02 -0.27 -0.04 0.93 0.69 2g7yB1 LEU 45 HD23 0.06 0.05 -0.23 -0.04 0.89 0.73 2g7yB1 VAL 46 H 0.03 0.32 0.06 -0.55 8.24 8.10 2g7yB1 VAL 46 HA 0.03 0.14 0.96 -0.75 4.13 4.51 2g7yB1 VAL 46 HB 0.03 0.04 -0.02 -0.04 2.12 2.13 2g7yB1 VAL 46 HG13 0.03 0.03 -0.07 -0.04 0.97 0.93 2g7yB1 VAL 46 HG23 0.03 0.02 -0.32 -0.04 0.95 0.64 2g7yB1 SER 47 H 0.04 0.13 0.12 -0.55 8.46 8.20 2g7yB1 SER 47 HA 0.03 0.09 0.50 -0.75 4.49 4.35 2g7yB1 SER 47 HB2 0.04 -0.07 0.13 -0.04 3.95 4.01 2g7yB1 SER 47 HB3 0.05 0.05 0.03 -0.04 3.93 4.01 2g7yB1 LEU 48 H 0.01 0.15 0.16 -0.55 8.37 8.15 2g7yB1 LEU 48 HA 0.02 0.11 0.81 -0.75 4.35 4.53 2g7yB1 LEU 48 HB2 -0.01 -0.05 0.00 -0.04 1.64 1.54 2g7yB1 LEU 48 HB3 0.00 0.03 -0.03 -0.04 1.64 1.60 2g7yB1 LEU 48 HG 0.02 0.14 -0.09 -0.04 1.64 1.67 2g7yB1 LEU 48 HD13 0.02 0.03 -0.14 -0.04 0.93 0.80 2g7yB1 LEU 48 HD23 0.04 0.02 -0.24 -0.04 0.89 0.67 2g7yB1 SER 49 H -0.01 0.70 0.07 -0.55 8.46 8.67 2g7yB1 SER 49 HA -0.08 0.04 0.49 -0.75 4.49 4.19 2g7yB1 SER 49 HB2 0.02 0.24 -0.47 -0.04 3.95 3.70 2g7yB1 SER 49 HB3 -0.08 -0.03 0.07 -0.04 3.93 3.85 2g7yB1 ALA 50 H -0.24 0.28 0.22 -0.55 8.40 8.12 2g7yB1 ALA 50 HA -0.50 0.13 0.36 -0.75 4.34 3.58 2g7yB1 ALA 50 HB3 -1.09 0.02 -0.01 -0.04 1.41 0.28 2g7yB1 GLN 51 H -0.19 0.20 -0.13 -0.55 8.47 7.81 2g7yB1 GLN 51 HA -0.13 0.01 0.37 -0.75 4.36 3.85 2g7yB1 GLN 51 HB2 0.05 -0.09 -0.02 -0.04 2.15 2.04 2g7yB1 GLN 51 HB3 -0.26 0.20 -0.15 -0.04 2.02 1.77 2g7yB1 GLN 51 HG2 0.17 0.27 -0.03 -0.04 2.40 2.77 2g7yB1 GLN 51 HG3 0.03 -0.03 -0.14 -0.04 2.39 2.21 2g7yB1 GLN 51 HE21 -0.07 0.27 0.07 -0.04 6.97 7.20 2g7yB1 GLN 51 HE22 -0.00 -0.05 0.03 -0.04 7.69 7.63 2g7yB1 ASN 52 H -0.56 0.14 -0.51 -0.55 8.53 7.06 2g7yB1 ASN 52 HA -0.80 0.03 0.30 -0.75 4.76 3.54 2g7yB1 ASN 52 HB2 -0.47 0.01 0.04 -0.04 2.88 2.42 2g7yB1 ASN 52 HB3 -0.20 0.28 0.06 -0.04 2.79 2.89 2g7yB1 ASN 52 HD21 0.29 0.07 -0.04 -0.04 7.03 7.30 2g7yB1 ASN 52 HD22 -0.04 -0.07 0.08 -0.04 7.74 7.67 2g7yB1 LEU 53 H -0.34 0.29 -0.35 -0.55 8.37 7.42 2g7yB1 LEU 53 HA -0.36 0.05 0.47 -0.75 4.35 3.76 2g7yB1 LEU 53 HB2 -0.54 0.10 0.14 -0.04 1.64 1.30 2g7yB1 LEU 53 HB3 -0.35 -0.02 -0.00 -0.04 1.64 1.23 2g7yB1 LEU 53 HG -0.20 0.09 0.00 -0.04 1.64 1.49 2g7yB1 LEU 53 HD13 -0.26 -0.01 -0.02 -0.04 0.93 0.60 2g7yB1 LEU 53 HD23 -0.03 0.00 -0.04 -0.04 0.89 0.79 2g7yB1 VAL 54 H -0.33 0.41 -0.10 -0.55 8.24 7.66 2g7yB1 VAL 54 HA 0.12 -0.00 0.32 -0.75 4.13 3.82 2g7yB1 VAL 54 HB -0.13 0.09 0.14 -0.04 2.12 2.19 2g7yB1 VAL 54 HG13 0.03 -0.04 -0.23 -0.04 0.97 0.69 2g7yB1 VAL 54 HG23 -0.25 0.01 -0.08 -0.04 0.95 0.59 2g7yB1 ASP 55 H -0.11 0.59 -0.19 -0.55 8.40 8.14 2g7yB1 ASP 55 HA 0.02 0.11 0.54 -0.75 4.63 4.55 2g7yB1 ASP 55 HB2 0.11 -0.07 -0.07 -0.04 2.71 2.64 2g7yB1 ASP 55 HB3 0.10 0.07 -0.47 -0.04 2.70 2.36 2g7yB1 CYS 56 H -0.17 0.31 -0.23 -0.55 8.50 7.86 2g7yB1 CYS 56 HA -0.04 0.18 1.09 -0.75 4.58 5.06 2g7yB1 CYS 56 HB2 -0.43 0.11 0.05 -0.04 2.97 2.67 2g7yB1 CYS 56 HB3 -0.01 -0.01 0.05 -0.04 2.97 2.96 2g7yB1 SER 57 H -0.40 0.46 0.09 -0.55 8.46 8.07 2g7yB1 SER 57 HA -0.51 0.08 0.67 -0.75 4.49 3.98 2g7yB1 SER 57 HB2 -0.73 -0.04 0.15 -0.04 3.95 3.28 2g7yB1 SER 57 HB3 -0.01 0.06 0.25 -0.04 3.93 4.19 2g7yB1 THR 57 H 0.06 0.33 -0.27 -0.55 8.28 7.85 2g7yB1 THR 57 HA 0.00 0.22 0.77 -0.75 4.39 4.63 2g7yB1 THR 57 HB 0.02 -0.18 0.16 -0.04 4.32 4.28 2g7yB1 THR 57 HG23 0.02 -0.00 -0.35 -0.04 1.22 0.85 2g7yB1 GLU 57 H 0.02 0.18 0.12 -0.55 8.60 8.37 2g7yB1 GLU 57 HA -0.02 0.15 0.38 -0.75 4.29 4.05 2g7yB1 GLU 57 HB2 -0.02 0.05 0.00 -0.04 2.09 2.08 2g7yB1 GLU 57 HB3 -0.01 0.06 0.13 -0.04 1.99 2.13 2g7yB1 GLU 57 HG2 0.02 -0.24 0.12 -0.04 2.34 2.19 2g7yB1 GLU 57 HG3 -0.00 0.06 0.02 -0.04 2.34 2.38 2g7yB1 LYS 57 H 0.02 0.09 -0.19 -0.55 8.42 7.79 2g7yB1 LYS 57 HA -0.12 0.08 0.39 -0.75 4.32 3.91 2g7yB1 TYR 58 H 0.11 0.50 -0.51 -0.55 8.29 7.85 2g7yB1 TYR 58 HA -0.03 0.20 0.83 -0.75 4.56 4.81 2g7yB1 TYR 58 HB2 -0.04 0.05 -0.15 -0.04 3.06 2.88 2g7yB1 TYR 58 HB3 -0.02 -0.10 0.06 -0.04 2.98 2.88 2g7yB1 TYR 58 HD2 0.03 -0.07 -0.04 -0.04 7.15 7.03 2g7yB1 TYR 58 HE2 0.13 0.02 -0.14 -0.04 6.85 6.81 2g7yB1 GLY 59 H -0.02 0.60 -0.18 -0.55 8.43 8.28 2g7yB1 GLY 59 HA2 -0.01 0.05 0.29 -0.51 4.01 3.83 2g7yB1 GLY 59 HA3 0.03 -0.01 0.34 -0.51 4.01 3.87 2g7yB1 ASN 60 H -0.04 0.32 -0.45 -0.55 8.53 7.82 2g7yB1 ASN 60 HA -0.38 0.16 0.86 -0.75 4.76 4.64 2g7yB1 ASN 60 HB2 -0.21 0.26 0.07 -0.04 2.88 2.96 2g7yB1 ASN 60 HB3 -0.83 -0.10 0.16 -0.04 2.79 1.98 2g7yB1 ASN 60 HD21 -0.11 -0.11 -0.14 -0.04 7.03 6.63 2g7yB1 ASN 60 HD22 -0.12 0.30 -0.07 -0.04 7.74 7.82 2g7yB1 LYS 61 H -0.40 0.82 0.23 -0.55 8.42 8.52 2g7yB1 LYS 61 HA -0.07 0.15 0.81 -0.75 4.32 4.46 2g7yB1 LYS 61 HB2 -0.13 0.07 -0.18 -0.04 1.87 1.59 2g7yB1 LYS 61 HB3 -0.06 -0.06 0.10 -0.04 1.79 1.72 2g7yB1 LYS 61 HG2 -0.08 0.02 -0.27 -0.04 1.46 1.09 2g7yB1 LYS 61 HG3 -0.17 -0.00 -0.48 -0.04 1.46 0.77 2g7yB1 LYS 61 HD2 -0.13 0.09 -0.10 -0.04 1.69 1.51 2g7yB1 LYS 61 HD3 -0.07 -0.05 -0.05 -0.04 1.68 1.47 2g7yB1 LYS 61 HE2 -0.09 0.05 -0.12 -0.04 2.99 2.79 2g7yB1 LYS 61 HE3 -0.07 -0.02 -0.05 -0.04 2.99 2.81 2g7yB1 GLY 62 H 0.04 0.19 -0.08 -0.55 8.43 8.03 2g7yB1 GLY 62 HA2 0.43 0.07 0.31 -0.51 4.01 4.31 2g7yB1 GLY 62 HA3 0.13 0.03 0.34 -0.51 4.01 4.00 2g7yB1 CYS 63 H 0.09 0.15 0.15 -0.55 8.50 8.34 2g7yB1 CYS 63 HA 0.16 -0.02 0.22 -0.75 4.58 4.18 2g7yB1 CYS 63 HB2 0.05 0.09 0.10 -0.04 2.97 3.16 2g7yB1 CYS 63 HB3 0.06 0.01 0.20 -0.04 2.97 3.19 2g7yB1 ASN 64 H 0.06 0.61 -0.54 -0.55 8.53 8.11 2g7yB1 ASN 64 HA 0.02 0.16 0.96 -0.75 4.76 5.15 2g7yB1 ASN 64 HB2 -0.02 0.18 0.13 -0.04 2.88 3.12 2g7yB1 ASN 64 HB3 -0.04 -0.03 0.19 -0.04 2.79 2.87 2g7yB1 ASN 64 HD21 -0.00 -0.02 -0.00 -0.04 7.03 6.97 2g7yB1 ASN 64 HD22 -0.01 0.03 0.02 -0.04 7.74 7.74 2g7yB1 GLY 65 H 0.13 0.43 -0.28 -0.55 8.43 8.16 2g7yB1 GLY 65 HA2 -0.10 -0.03 0.36 -0.51 4.01 3.72 2g7yB1 GLY 65 HA3 -0.24 0.25 0.90 -0.51 4.01 4.41 2g7yB1 GLY 66 H -0.84 0.25 0.19 -0.55 8.43 7.49 2g7yB1 GLY 66 HA2 -1.10 0.18 0.47 -0.51 4.01 3.05 2g7yB1 GLY 66 HA3 -2.75 0.04 0.30 -0.51 4.01 1.09 2g7yB1 PHE 67 H -0.48 0.27 0.08 -0.55 8.34 7.66 2g7yB1 PHE 67 HA -0.21 0.21 0.89 -0.75 4.62 4.75 2g7yB1 PHE 67 HB2 -0.21 0.00 0.08 -0.04 3.15 2.98 2g7yB1 PHE 67 HB3 -0.18 -0.10 0.03 -0.04 3.06 2.77 2g7yB1 PHE 67 HD2 -0.23 0.03 -0.04 -0.04 7.28 6.99 2g7yB1 PHE 67 HE2 -0.20 0.11 -0.02 -0.04 7.38 7.23 2g7yB1 PHE 67 HZ -0.16 0.03 -0.04 -0.04 7.32 7.11 2g7yB1 MET 68 H -0.00 0.24 0.12 -0.55 8.47 8.28 2g7yB1 MET 68 HA -0.17 0.13 0.43 -0.75 4.52 4.15 2g7yB1 MET 68 HB2 -0.10 0.04 0.05 -0.04 2.15 2.10 2g7yB1 MET 68 HB3 -0.40 0.07 -0.04 -0.04 2.03 1.61 2g7yB1 MET 68 HG2 -0.05 0.06 -0.04 -0.04 2.63 2.55 2g7yB1 MET 68 HG3 -0.06 0.18 0.07 -0.04 2.56 2.71 2g7yB1 MET 68 HE3 0.01 0.03 -0.20 -0.04 2.10 1.89 2g7yB1 THR 69 H -0.11 0.11 -0.11 -0.55 8.28 7.63 2g7yB1 THR 69 HA -0.39 0.13 0.32 -0.75 4.39 3.70 2g7yB1 THR 69 HB -0.28 0.07 -0.09 -0.04 4.32 3.98 2g7yB1 THR 69 HG23 0.07 0.02 -0.08 -0.04 1.22 1.19 2g7yB1 THR 70 H -0.09 0.07 -0.31 -0.55 8.28 7.40 2g7yB1 THR 70 HA 0.01 0.10 0.44 -0.75 4.39 4.19 2g7yB1 THR 70 HB 0.19 0.04 0.11 -0.04 4.32 4.62 2g7yB1 THR 70 HG23 -0.16 0.01 -0.02 -0.04 1.22 1.01 2g7yB1 ALA 74 H -0.15 0.24 -0.49 -0.55 8.40 7.45 2g7yB1 ALA 74 HA -0.01 0.05 0.45 -0.75 4.34 4.07 2g7yB1 ALA 74 HB3 -0.06 0.05 0.07 -0.04 1.41 1.43 2g7yB1 PHE 75 H -0.45 0.44 -0.19 -0.55 8.34 7.58 2g7yB1 PHE 75 HA -0.04 0.03 0.32 -0.75 4.62 4.16 2g7yB1 PHE 75 HB2 -0.50 0.13 0.05 -0.04 3.15 2.79 2g7yB1 PHE 75 HB3 -0.03 -0.02 -0.12 -0.04 3.06 2.86 2g7yB1 PHE 75 HD2 -0.23 -0.04 -0.11 -0.04 7.28 6.86 2g7yB1 PHE 75 HE2 -0.03 0.10 -0.14 -0.04 7.38 7.27 2g7yB1 PHE 75 HZ -0.01 0.03 -0.02 -0.04 7.32 7.29 2g7yB1 GLN 76 H -0.02 0.42 -0.23 -0.55 8.47 8.09 2g7yB1 GLN 76 HA 0.21 0.04 0.32 -0.75 4.36 4.17 2g7yB1 GLN 76 HB2 0.24 0.04 0.08 -0.04 2.15 2.46 2g7yB1 GLN 76 HB3 0.26 0.08 0.05 -0.04 2.02 2.37 2g7yB1 GLN 76 HG2 0.22 0.01 -0.02 -0.04 2.40 2.56 2g7yB1 GLN 76 HG3 0.28 -0.01 -0.10 -0.04 2.39 2.52 2g7yB1 GLN 76 HE21 0.09 0.05 -0.01 -0.04 6.97 7.06 2g7yB1 GLN 76 HE22 0.12 -0.02 0.02 -0.04 7.69 7.76 2g7yB1 TYR 77 H -0.08 0.45 -0.37 -0.55 8.29 7.75 2g7yB1 TYR 77 HA -0.46 0.02 0.40 -0.75 4.56 3.76 2g7yB1 TYR 77 HB2 -1.42 -0.03 0.10 -0.04 3.06 1.67 2g7yB1 TYR 77 HB3 -0.41 0.19 0.19 -0.04 2.98 2.91 2g7yB1 TYR 77 HD2 -0.28 0.02 -0.08 -0.04 7.15 6.78 2g7yB1 TYR 77 HE2 -0.13 -0.02 -0.12 -0.04 6.85 6.54 2g7yB1 ILE 78 H -0.02 0.45 -0.19 -0.55 8.25 7.94 2g7yB1 ILE 78 HA -0.44 0.10 0.28 -0.75 4.18 3.36 2g7yB1 ILE 78 HB 0.04 0.15 0.04 -0.04 1.89 2.08 2g7yB1 ILE 78 HG12 0.06 -0.05 -0.10 -0.04 1.49 1.37 2g7yB1 ILE 78 HG13 0.13 0.26 0.03 -0.04 1.21 1.60 2g7yB1 ILE 78 HG23 -0.02 -0.03 -0.32 -0.04 0.93 0.52 2g7yB1 ILE 78 HD13 0.12 -0.04 -0.17 -0.04 0.88 0.75 2g7yB1 ILE 79 H -0.02 0.42 -0.34 -0.55 8.25 7.76 2g7yB1 ILE 79 HA -0.03 0.13 0.48 -0.75 4.18 4.00 2g7yB1 ILE 79 HB 0.07 0.07 0.14 -0.04 1.89 2.13 2g7yB1 ILE 79 HG12 0.03 0.09 -0.45 -0.04 1.49 1.13 2g7yB1 ILE 79 HG13 0.09 0.17 -0.12 -0.04 1.21 1.30 2g7yB1 ILE 79 HG23 0.02 0.01 -0.14 -0.04 0.93 0.78 2g7yB1 ILE 79 HD13 0.16 -0.03 -0.31 -0.04 0.88 0.66 2g7yB1 ASP 80 H -0.02 0.69 0.06 -0.55 8.40 8.58 2g7yB1 ASP 80 HA -0.01 0.01 0.41 -0.75 4.63 4.29 2g7yB1 ASP 80 HB2 0.06 0.04 0.14 -0.04 2.71 2.90 2g7yB1 ASP 80 HB3 0.07 -0.06 0.02 -0.04 2.70 2.69 2g7yB1 ASN 81 H -0.37 0.70 -0.18 -0.55 8.53 8.13 2g7yB1 ASN 81 HA -0.21 0.01 0.46 -0.75 4.76 4.26 2g7yB1 ASN 81 HB2 -1.10 -0.02 0.05 -0.04 2.88 1.77 2g7yB1 ASN 81 HB3 -0.79 0.09 0.05 -0.04 2.79 2.10 2g7yB1 ASN 81 HD21 -2.77 -0.20 -0.14 -0.04 7.03 3.88 2g7yB1 ASN 81 HD22 -0.98 0.55 -0.04 -0.04 7.74 7.22 2g7yB1 LYS 82 H -0.15 0.34 -0.48 -0.55 8.42 7.58 2g7yB1 LYS 82 HA -0.05 0.05 0.37 -0.75 4.32 3.93 2g7yB1 LYS 82 HB2 -0.02 0.19 0.07 -0.04 1.87 2.07 2g7yB1 LYS 82 HB3 -0.00 -0.11 0.25 -0.04 1.79 1.89 2g7yB1 LYS 82 HG2 -0.02 0.01 0.05 -0.04 1.46 1.46 2g7yB1 LYS 82 HG3 -0.04 0.16 -0.23 -0.04 1.46 1.32 2g7yB1 LYS 82 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 2g7yB1 LYS 82 HD3 0.00 -0.07 0.03 -0.04 1.68 1.60 2g7yB1 LYS 82 HE2 0.00 -0.08 0.01 -0.04 2.99 2.89 2g7yB1 LYS 82 HE3 -0.00 -0.02 0.02 -0.04 2.99 2.95 2g7yB1 GLY 83 H -0.18 0.42 0.01 -0.55 8.43 8.13 2g7yB1 GLY 83 HA2 0.01 0.16 0.50 -0.51 4.01 4.17 2g7yB1 GLY 83 HA3 0.09 0.12 0.72 -0.51 4.01 4.43 2g7yB1 ILE 84 H 0.11 0.47 0.31 -0.55 8.25 8.59 2g7yB1 ILE 84 HA 0.18 0.09 0.65 -0.75 4.18 4.34 2g7yB1 ILE 84 HB 0.04 0.05 -0.14 -0.04 1.89 1.81 2g7yB1 ILE 84 HG12 0.06 0.13 -0.10 -0.04 1.49 1.54 2g7yB1 ILE 84 HG13 0.09 -0.07 0.06 -0.04 1.21 1.24 2g7yB1 ILE 84 HG23 0.05 0.02 -0.13 -0.04 0.93 0.83 2g7yB1 ILE 84 HD13 -0.01 0.03 -0.12 -0.04 0.88 0.74 2g7yB1 ASP 85 H 0.33 0.08 0.07 -0.55 8.40 8.34 2g7yB1 ASP 85 HA 0.18 0.24 0.53 -0.75 4.63 4.82 2g7yB1 ASP 85 HB2 0.32 -0.08 0.02 -0.04 2.71 2.93 2g7yB1 ASP 85 HB3 0.21 0.08 0.04 -0.04 2.70 2.99 2g7yB1 SER 86 H 0.10 0.44 0.22 -0.55 8.46 8.66 2g7yB1 SER 86 HA 0.05 0.14 0.56 -0.75 4.49 4.48 2g7yB1 SER 86 HB2 0.03 0.01 0.13 -0.04 3.95 4.08 2g7yB1 SER 86 HB3 0.05 0.17 0.11 -0.04 3.93 4.23 2g7yB1 ASP 87 H 0.03 0.68 0.09 -0.55 8.40 8.65 2g7yB1 ASP 87 HA 0.03 0.06 0.14 -0.75 4.63 4.12 2g7yB1 ASP 87 HB2 0.02 0.15 -0.45 -0.04 2.71 2.39 2g7yB1 ASP 87 HB3 0.04 0.04 -0.09 -0.04 2.70 2.65 2g7yB1 ALA 88 H 0.02 0.11 -0.18 -0.55 8.40 7.80 2g7yB1 ALA 88 HA 0.01 0.07 0.30 -0.75 4.34 3.97 2g7yB1 ALA 88 HB3 -0.01 0.01 0.02 -0.04 1.41 1.40 2g7yB1 SER 89 H -0.05 0.03 -0.40 -0.55 8.46 7.49 2g7yB1 SER 89 HA -0.30 0.14 0.52 -0.75 4.49 4.10 2g7yB1 SER 89 HB2 -1.19 0.01 0.06 -0.04 3.95 2.78 2g7yB1 SER 89 HB3 -0.36 -0.01 0.05 -0.04 3.93 3.57 2g7yB1 TYR 90 H 0.08 0.25 -0.48 -0.55 8.29 7.59 2g7yB1 TYR 90 HA -0.03 0.19 0.69 -0.75 4.56 4.65 2g7yB1 TYR 90 HB2 0.01 -0.03 -0.19 -0.04 3.06 2.82 2g7yB1 TYR 90 HB3 0.02 -0.12 0.07 -0.04 2.98 2.91 2g7yB1 TYR 90 HD2 0.07 0.08 -0.19 -0.04 7.15 7.07 2g7yB1 TYR 90 HE2 0.08 -0.02 -0.23 -0.04 6.85 6.64 2g7yB1 PRO 91 HA 0.11 0.01 0.45 -0.51 4.44 4.51 2g7yB1 PRO 91 HB2 0.08 0.03 -0.07 -0.04 2.28 2.28 2g7yB1 PRO 91 HB3 0.06 0.07 0.05 -0.04 2.02 2.16 2g7yB1 PRO 91 HG2 0.06 -0.04 -0.07 -0.04 2.03 1.95 2g7yB1 PRO 91 HG3 0.02 0.06 -0.03 -0.04 2.03 2.04 2g7yB1 PRO 91 HD2 0.03 0.13 -0.05 -0.04 3.68 3.75 2g7yB1 PRO 91 HD3 0.01 0.30 -0.31 -0.04 3.65 3.61 2g7yB1 TYR 92 H 0.22 0.13 0.16 -0.55 8.29 8.25 2g7yB1 TYR 92 HA 0.00 -0.02 0.61 -0.75 4.56 4.40 2g7yB1 TYR 92 HB2 0.07 -0.08 0.13 -0.04 3.06 3.14 2g7yB1 TYR 92 HB3 0.12 0.08 0.16 -0.04 2.98 3.30 2g7yB1 TYR 92 HD2 -0.00 0.02 -0.05 -0.04 7.15 7.08 2g7yB1 TYR 92 HE2 -0.03 0.09 -0.01 -0.04 6.85 6.86 2g7yB1 LYS 93 H -0.34 0.07 0.19 -0.55 8.42 7.78 2g7yB1 LYS 93 HA -0.13 0.27 0.85 -0.75 4.32 4.55 2g7yB1 LYS 93 HB2 -0.11 -0.00 0.01 -0.04 1.87 1.72 2g7yB1 LYS 93 HB3 -0.09 0.03 0.06 -0.04 1.79 1.75 2g7yB1 LYS 93 HG2 0.00 0.09 -0.29 -0.04 1.46 1.23 2g7yB1 LYS 93 HG3 -0.01 0.02 -0.09 -0.04 1.46 1.34 2g7yB1 LYS 93 HD2 -0.02 -0.02 -0.04 -0.04 1.69 1.57 2g7yB1 LYS 93 HD3 -0.01 0.09 -0.17 -0.04 1.68 1.55 2g7yB1 LYS 93 HE2 0.00 -0.01 -0.08 -0.04 2.99 2.86 2g7yB1 LYS 93 HE3 0.01 -0.01 -0.08 -0.04 2.99 2.87 2g7yB1 ALA 94 H -1.68 -0.03 -0.00 -0.55 8.40 6.15 2g7yB1 ALA 94 HA -0.58 -0.02 0.33 -0.75 4.34 3.32 2g7yB1 ALA 94 HB3 -0.09 0.05 0.01 -0.04 1.41 1.34 2g7yB1 MET 95 H -0.24 0.12 -0.20 -0.55 8.47 7.60 2g7yB1 MET 95 HA -0.04 0.04 0.42 -0.75 4.52 4.19 2g7yB1 MET 95 HB2 -0.03 0.00 0.05 -0.04 2.15 2.14 2g7yB1 MET 95 HB3 -0.05 0.18 -0.06 -0.04 2.03 2.05 2g7yB1 MET 95 HG2 -0.09 0.09 -0.32 -0.04 2.63 2.27 2g7yB1 MET 95 HG3 -0.05 -0.02 -0.32 -0.04 2.56 2.13 2g7yB1 MET 95 HE3 -0.03 0.03 -0.04 -0.04 2.10 2.01 2g7yB1 ASP 96 H -0.01 0.14 0.10 -0.55 8.40 8.09 2g7yB1 ASP 96 HA 0.01 0.01 0.46 -0.75 4.63 4.36 2g7yB1 ASP 96 HB2 0.01 0.03 0.10 -0.04 2.71 2.81 2g7yB1 ASP 96 HB3 0.02 0.11 -0.02 -0.04 2.70 2.77 2g7yB1 GLN 97 H 0.03 0.18 0.14 -0.55 8.47 8.28 2g7yB1 GLN 97 HA 0.02 0.17 0.81 -0.75 4.36 4.60 2g7yB1 GLN 97 HB2 0.08 -0.04 -0.05 -0.04 2.15 2.10 2g7yB1 GLN 97 HB3 0.05 0.06 0.04 -0.04 2.02 2.13 2g7yB1 GLN 97 HG2 0.01 0.04 -0.15 -0.04 2.40 2.27 2g7yB1 GLN 97 HG3 0.00 0.05 -0.51 -0.04 2.39 1.89 2g7yB1 GLN 97 HE21 0.16 0.03 -0.08 -0.04 6.97 7.05 2g7yB1 GLN 97 HE22 0.17 -0.00 -0.09 -0.04 7.69 7.73 2g7yB1 LYS 98 H 0.03 0.11 0.11 -0.55 8.42 8.11 2g7yB1 LYS 98 HA 0.04 0.06 0.50 -0.75 4.32 4.18 2g7yB1 CYS 99 H 0.07 0.11 0.18 -0.55 8.50 8.31 2g7yB1 CYS 99 HA 0.17 -0.06 0.24 -0.75 4.58 4.18 2g7yB1 CYS 99 HB2 0.08 0.21 0.12 -0.04 2.97 3.35 2g7yB1 CYS 99 HB3 0.10 -0.01 0.16 -0.04 2.97 3.18 2g7yB1 GLN 100 H 0.34 0.07 0.09 -0.55 8.47 8.42 2g7yB1 GLN 100 HA 0.04 0.25 0.85 -0.75 4.36 4.74 2g7yB1 GLN 100 HB2 -0.42 -0.05 0.03 -0.04 2.15 1.67 2g7yB1 GLN 100 HB3 -0.25 -0.00 0.14 -0.04 2.02 1.87 2g7yB1 GLN 100 HG2 -0.05 -0.02 -0.07 -0.04 2.40 2.22 2g7yB1 GLN 100 HG3 0.02 0.16 -0.49 -0.04 2.39 2.04 2g7yB1 GLN 100 HE21 -0.06 -0.02 -0.03 -0.04 6.97 6.82 2g7yB1 GLN 100 HE22 -0.08 0.00 -0.03 -0.04 7.69 7.54 2g7yB1 TYR 101 H 0.36 0.04 -0.14 -0.55 8.29 8.00 2g7yB1 TYR 101 HA 0.31 -0.01 0.36 -0.75 4.56 4.47 2g7yB1 TYR 101 HB2 0.27 -0.03 0.04 -0.04 3.06 3.29 2g7yB1 TYR 101 HB3 0.17 0.04 -0.01 -0.04 2.98 3.14 2g7yB1 TYR 101 HD2 0.15 -0.08 -0.18 -0.04 7.15 7.00 2g7yB1 TYR 101 HE2 0.06 -0.06 -0.32 -0.04 6.85 6.48 2g7yB1 ASP 102 H -0.61 0.20 0.11 -0.55 8.40 7.55 2g7yB1 ASP 102 HA -0.28 0.17 0.70 -0.75 4.63 4.47 2g7yB1 ASP 102 HB2 -0.14 0.20 -0.14 -0.04 2.71 2.58 2g7yB1 ASP 102 HB3 -0.28 -0.07 0.06 -0.04 2.70 2.38 2g7yB1 SER 103 H -0.24 0.24 0.08 -0.55 8.46 8.01 2g7yB1 SER 103 HA -0.18 0.11 0.39 -0.75 4.49 4.05 2g7yB1 SER 103 HB2 0.03 0.08 0.08 -0.04 3.95 4.10 2g7yB1 SER 103 HB3 0.09 0.08 0.09 -0.04 3.93 4.15 2g7yB1 LYS 104 H -0.27 0.05 -0.31 -0.55 8.42 7.33 2g7yB1 LYS 104 HA -0.12 0.15 0.44 -0.75 4.32 4.04 2g7yB1 LYS 104 HB2 -0.22 0.05 0.10 -0.04 1.87 1.75 2g7yB1 LYS 104 HB3 -0.23 -0.02 0.07 -0.04 1.79 1.56 2g7yB1 LYS 104 HG2 -0.71 -0.10 -0.08 -0.04 1.46 0.53 2g7yB1 LYS 104 HG3 -1.18 0.05 -0.28 -0.04 1.46 0.02 2g7yB1 LYS 104 HD2 -0.30 0.02 -0.02 -0.04 1.69 1.35 2g7yB1 LYS 104 HD3 -0.28 -0.02 -0.01 -0.04 1.68 1.33 2g7yB1 LYS 104 HE2 -0.53 -0.00 -0.04 -0.04 2.99 2.38 2g7yB1 LYS 104 HE3 -0.62 0.02 -0.05 -0.04 2.99 2.30 2g7yB1 TYR 105 H -0.17 0.32 -0.49 -0.55 8.29 7.40 2g7yB1 TYR 105 HA -0.02 0.23 0.79 -0.75 4.56 4.81 2g7yB1 TYR 105 HB2 -0.08 0.07 0.05 -0.04 3.06 3.06 2g7yB1 TYR 105 HB3 0.00 -0.16 0.15 -0.04 2.98 2.93 2g7yB1 TYR 105 HD2 -0.06 0.07 -0.05 -0.04 7.15 7.07 2g7yB1 TYR 105 HE2 -0.05 0.02 -0.03 -0.04 6.85 6.75 2g7yB1 ARG 106 H 0.02 0.39 -0.30 -0.55 8.46 8.02 2g7yB1 ARG 106 HA 0.16 -0.06 0.22 -0.75 4.34 3.90 2g7yB1 ARG 106 HB2 0.12 -0.01 0.13 -0.04 1.90 2.09 2g7yB1 ARG 106 HB3 0.06 0.07 0.11 -0.04 1.80 2.00 2g7yB1 ARG 106 HG2 0.08 -0.04 -0.22 -0.04 1.67 1.44 2g7yB1 ARG 106 HG3 0.13 -0.13 0.13 -0.04 1.67 1.77 2g7yB1 ARG 106 HD2 0.07 0.02 0.04 -0.04 3.22 3.30 2g7yB1 ARG 106 HD3 0.14 0.07 0.14 -0.04 3.22 3.54 2g7yB1 ALA 107 H 0.11 0.54 0.43 -0.55 8.40 8.94 2g7yB1 ALA 107 HA 0.06 0.23 0.92 -0.75 4.34 4.80 2g7yB1 ALA 107 HB3 0.06 -0.02 -0.01 -0.04 1.41 1.39 2g7yB1 ALA 108 H 0.07 0.19 0.28 -0.55 8.40 8.40 2g7yB1 ALA 108 HA 0.03 0.14 0.48 -0.75 4.34 4.24 2g7yB1 ALA 108 HB3 0.03 0.04 -0.08 -0.04 1.41 1.37 2g7yB1 THR 109 H 0.02 0.28 0.17 -0.55 8.28 8.19 2g7yB1 THR 109 HA 0.00 0.14 0.70 -0.75 4.39 4.48 2g7yB1 THR 109 HB -0.00 0.06 -0.01 -0.04 4.32 4.33 2g7yB1 THR 109 HG23 0.02 0.03 -0.25 -0.04 1.22 0.98 2g7yB1 CYS 110 H -0.01 0.35 0.05 -0.55 8.50 8.34 2g7yB1 CYS 110 HA -0.02 0.22 0.84 -0.75 4.58 4.86 2g7yB1 CYS 110 HB2 0.01 -0.01 -0.22 -0.04 2.97 2.71 2g7yB1 CYS 110 HB3 0.01 -0.02 -0.12 -0.04 2.97 2.81 2g7yB1 SER 111 H -0.02 0.55 0.35 -0.55 8.46 8.79 2g7yB1 SER 111 HA -0.01 0.21 0.93 -0.75 4.49 4.87 2g7yB1 SER 111 HB2 -0.02 0.02 0.04 -0.04 3.95 3.94 2g7yB1 SER 111 HB3 -0.01 -0.04 -0.01 -0.04 3.93 3.83 2g7yB1 LYS 112 H -0.03 0.28 0.26 -0.55 8.42 8.37 2g7yB1 LYS 112 HA -0.01 0.07 0.36 -0.75 4.32 3.98 2g7yB1 LYS 112 HB2 -0.16 -0.01 0.15 -0.04 1.87 1.81 2g7yB1 LYS 112 HB3 -0.07 0.25 -0.05 -0.04 1.79 1.87 2g7yB1 LYS 112 HG2 -0.06 -0.07 -0.27 -0.04 1.46 1.01 2g7yB1 LYS 112 HG3 -0.11 -0.01 -0.37 -0.04 1.46 0.92 2g7yB1 LYS 112 HD2 -0.12 0.03 -0.09 -0.04 1.69 1.47 2g7yB1 LYS 112 HD3 -0.07 0.01 -0.10 -0.04 1.68 1.48 2g7yB1 LYS 112 HE2 -0.04 0.00 -0.12 -0.04 2.99 2.79 2g7yB1 LYS 112 HE3 -0.08 -0.00 -0.18 -0.04 2.99 2.68 2g7yB1 TYR 113 H -0.36 0.29 0.21 -0.55 8.29 7.87 2g7yB1 TYR 113 HA -0.34 0.23 0.88 -0.75 4.56 4.58 2g7yB1 TYR 113 HB2 -0.21 0.03 -0.07 -0.04 3.06 2.77 2g7yB1 TYR 113 HB3 -0.21 -0.03 -0.21 -0.04 2.98 2.49 2g7yB1 TYR 113 HD2 0.06 0.01 -0.32 -0.04 7.15 6.86 2g7yB1 TYR 113 HE2 0.06 -0.01 -0.10 -0.04 6.85 6.77 2g7yB1 THR 114 H -0.33 0.65 0.34 -0.55 8.28 8.38 2g7yB1 THR 114 HA -0.19 0.16 0.99 -0.75 4.39 4.59 2g7yB1 THR 114 HB -0.98 0.00 0.06 -0.04 4.32 3.36 2g7yB1 THR 114 HG23 -0.03 -0.00 -0.19 -0.04 1.22 0.95 2g7yB1 GLU 115 H 0.00 0.20 0.15 -0.55 8.60 8.41 2g7yB1 GLU 115 HA 0.14 0.27 1.05 -0.75 4.29 4.99 2g7yB1 GLU 115 HB2 0.10 -0.04 0.13 -0.04 2.09 2.24 2g7yB1 GLU 115 HB3 0.16 0.10 0.04 -0.04 1.99 2.25 2g7yB1 GLU 115 HG2 0.26 0.00 -0.12 -0.04 2.34 2.44 2g7yB1 GLU 115 HG3 0.30 -0.06 -0.17 -0.04 2.34 2.37 2g7yB1 LEU 116 H 0.11 0.52 0.15 -0.55 8.37 8.60 2g7yB1 LEU 116 HA 0.07 0.08 0.53 -0.75 4.35 4.28 2g7yB1 LEU 116 HB2 0.05 0.01 0.03 -0.04 1.64 1.68 2g7yB1 LEU 116 HB3 0.03 0.03 -0.01 -0.04 1.64 1.65 2g7yB1 LEU 116 HG 0.12 0.01 -0.09 -0.04 1.64 1.64 2g7yB1 LEU 116 HD13 0.25 -0.03 -0.27 -0.04 0.93 0.84 2g7yB1 LEU 116 HD23 0.03 -0.03 -0.15 -0.04 0.89 0.70 2g7yB1 PRO 117 HA 0.05 0.03 0.49 -0.51 4.44 4.49 2g7yB1 PRO 117 HB2 0.03 0.04 0.01 -0.04 2.28 2.33 2g7yB1 PRO 117 HB3 0.03 0.04 0.13 -0.04 2.02 2.18 2g7yB1 PRO 117 HG2 0.02 -0.07 0.11 -0.04 2.03 2.04 2g7yB1 PRO 117 HG3 0.03 0.03 0.09 -0.04 2.03 2.14 2g7yB1 PRO 117 HD2 0.04 0.05 0.20 -0.04 3.68 3.93 2g7yB1 PRO 117 HD3 0.04 0.17 0.19 -0.04 3.65 4.02 2g7yB1 TYR 118 H 0.11 0.06 0.21 -0.55 8.29 8.12 2g7yB1 TYR 118 HA -0.19 0.33 0.55 -0.75 4.56 4.48 2g7yB1 TYR 118 HB2 -0.18 0.03 0.23 -0.04 3.06 3.09 2g7yB1 TYR 118 HB3 -0.09 -0.07 0.19 -0.04 2.98 2.96 2g7yB1 TYR 118 HD2 -0.52 0.07 -0.04 -0.04 7.15 6.62 2g7yB1 TYR 118 HE2 -0.28 -0.02 -0.00 -0.04 6.85 6.50 2g7yB1 GLY 119 H -0.71 0.51 0.31 -0.55 8.43 7.99 2g7yB1 GLY 119 HA2 -0.42 -0.15 0.07 -0.51 4.01 3.00 2g7yB1 GLY 119 HA3 -0.38 0.02 0.32 -0.51 4.01 3.47 2g7yB1 ARG 120 H -0.10 0.53 -0.29 -0.55 8.46 8.05 2g7yB1 ARG 120 HA -0.00 0.10 0.81 -0.75 4.34 4.49 2g7yB1 ARG 120 HB2 -0.00 0.06 0.18 -0.04 1.90 2.09 2g7yB1 ARG 120 HB3 0.01 -0.15 0.08 -0.04 1.80 1.70 2g7yB1 ARG 120 HG2 -0.00 0.19 -0.26 -0.04 1.67 1.56 2g7yB1 ARG 120 HG3 0.02 -0.02 -0.03 -0.04 1.67 1.60 2g7yB1 ARG 120 HD2 -0.00 0.01 -0.46 -0.04 3.22 2.73 2g7yB1 ARG 120 HD3 0.03 0.05 -0.09 -0.04 3.22 3.17 2g7yB1 GLU 121 H 0.05 0.29 0.18 -0.55 8.60 8.57 2g7yB1 GLU 121 HA 0.16 0.13 0.43 -0.75 4.29 4.25 2g7yB1 GLU 121 HB2 0.15 0.04 0.13 -0.04 2.09 2.36 2g7yB1 GLU 121 HB3 0.45 0.03 0.08 -0.04 1.99 2.50 2g7yB1 GLU 121 HG2 0.21 0.06 -0.03 -0.04 2.34 2.54 2g7yB1 GLU 121 HG3 0.11 0.14 0.05 -0.04 2.34 2.60 2g7yB1 ASP 122 H 0.06 0.10 -0.13 -0.55 8.40 7.89 2g7yB1 ASP 122 HA 0.03 0.14 0.48 -0.75 4.63 4.53 2g7yB1 ASP 122 HB2 0.01 0.10 0.02 -0.04 2.71 2.80 2g7yB1 ASP 122 HB3 0.02 0.02 0.08 -0.04 2.70 2.78 2g7yB1 VAL 123 H 0.04 0.09 -0.25 -0.55 8.24 7.57 2g7yB1 VAL 123 HA 0.04 0.11 0.43 -0.75 4.13 3.95 2g7yB1 VAL 123 HB 0.02 0.15 0.10 -0.04 2.12 2.35 2g7yB1 VAL 123 HG13 0.04 0.01 -0.04 -0.04 0.97 0.95 2g7yB1 VAL 123 HG23 0.03 -0.01 0.03 -0.04 0.95 0.95 2g7yB1 LEU 124 H 0.05 0.28 -0.25 -0.55 8.37 7.90 2g7yB1 LEU 124 HA -0.01 0.08 0.40 -0.75 4.35 4.06 2g7yB1 LEU 124 HB2 -0.14 0.06 0.06 -0.04 1.64 1.58 2g7yB1 LEU 124 HB3 -0.04 0.02 0.11 -0.04 1.64 1.69 2g7yB1 LEU 124 HG -0.66 0.00 -0.21 -0.04 1.64 0.73 2g7yB1 LEU 124 HD13 -0.17 0.00 0.01 -0.04 0.93 0.73 2g7yB1 LEU 124 HD23 -1.04 -0.01 -0.10 -0.04 0.89 -0.31 2g7yB1 LYS 125 H 0.24 0.42 -0.25 -0.55 8.42 8.28 2g7yB1 LYS 125 HA 0.25 0.01 0.35 -0.75 4.32 4.17 2g7yB1 LYS 125 HB2 -0.06 -0.01 0.12 -0.04 1.87 1.88 2g7yB1 LYS 125 HB3 -0.02 0.13 0.15 -0.04 1.79 2.01 2g7yB1 LYS 125 HG2 -0.23 0.02 -0.26 -0.04 1.46 0.96 2g7yB1 LYS 125 HG3 -1.27 -0.03 -0.04 -0.04 1.46 0.08 2g7yB1 LYS 125 HD2 -0.38 -0.07 -0.03 -0.04 1.69 1.17 2g7yB1 LYS 125 HD3 -0.15 -0.02 -0.04 -0.04 1.68 1.43 2g7yB1 LYS 125 HE2 -0.07 0.01 -0.15 -0.04 2.99 2.74 2g7yB1 LYS 125 HE3 -0.35 0.07 -0.10 -0.04 2.99 2.56 2g7yB1 GLU 126 H 0.06 0.37 -0.26 -0.55 8.60 8.23 2g7yB1 GLU 126 HA 0.09 0.05 0.37 -0.75 4.29 4.04 2g7yB1 GLU 126 HB2 0.04 0.00 0.08 -0.04 2.09 2.17 2g7yB1 GLU 126 HB3 0.05 0.10 0.12 -0.04 1.99 2.22 2g7yB1 GLU 126 HG2 0.04 0.00 -0.29 -0.04 2.34 2.06 2g7yB1 GLU 126 HG3 0.05 0.01 -0.01 -0.04 2.34 2.35 2g7yB1 ALA 127 H 0.05 0.43 -0.20 -0.55 8.40 8.14 2g7yB1 ALA 127 HA -0.07 0.02 0.41 -0.75 4.34 3.95 2g7yB1 ALA 127 HB3 -0.10 0.02 0.05 -0.04 1.41 1.34 2g7yB1 VAL 128 H 0.16 0.53 -0.16 -0.55 8.24 8.22 2g7yB1 VAL 128 HA 0.18 0.32 0.42 -0.75 4.13 4.30 2g7yB1 VAL 128 HB 0.54 0.07 0.05 -0.04 2.12 2.75 2g7yB1 VAL 128 HG13 0.54 -0.03 -0.28 -0.04 0.97 1.16 2g7yB1 VAL 128 HG23 0.22 0.03 0.02 -0.04 0.95 1.18 2g7yB1 ALA 129 H 0.31 0.47 -0.21 -0.55 8.40 8.43 2g7yB1 ALA 129 HA 0.22 -0.02 0.43 -0.75 4.34 4.22 2g7yB1 ALA 129 HB3 0.24 -0.01 0.07 -0.04 1.41 1.67 2g7yB1 ASN 130 H 0.15 0.55 -0.06 -0.55 8.53 8.62 2g7yB1 ASN 130 HA 0.16 0.22 0.92 -0.75 4.76 5.31 2g7yB1 ASN 130 HB2 0.06 0.03 0.04 -0.04 2.88 2.96 2g7yB1 ASN 130 HB3 0.06 -0.05 0.04 -0.04 2.79 2.81 2g7yB1 ASN 130 HD21 0.05 -0.02 -0.04 -0.04 7.03 6.98 2g7yB1 ASN 130 HD22 0.05 -0.03 -0.03 -0.04 7.74 7.69 2g7yB1 LYS 131 H 0.03 0.61 0.08 -0.55 8.42 8.58 2g7yB1 LYS 131 HA -0.05 0.16 0.98 -0.75 4.32 4.65 2g7yB1 LYS 131 HB2 -0.55 0.13 0.11 -0.04 1.87 1.53 2g7yB1 LYS 131 HB3 -0.53 -0.04 -0.02 -0.04 1.79 1.16 2g7yB1 LYS 131 HG2 -0.13 -0.07 -0.10 -0.04 1.46 1.11 2g7yB1 LYS 131 HG3 -0.50 -0.09 -0.04 -0.04 1.46 0.80 2g7yB1 LYS 131 HD2 0.04 -0.02 -0.04 -0.04 1.69 1.64 2g7yB1 LYS 131 HD3 -0.01 0.14 -0.11 -0.04 1.68 1.66 2g7yB1 LYS 131 HE2 0.03 -0.01 -0.11 -0.04 2.99 2.87 2g7yB1 LYS 131 HE3 0.12 -0.06 -0.08 -0.04 2.99 2.94 2g7yB1 GLY 131 H -0.13 0.39 0.18 -0.55 8.43 8.33 2g7yB1 GLY 131 HA2 -1.97 0.01 0.23 -0.51 4.01 1.77 2g7yB1 GLY 131 HA3 -0.82 0.17 0.76 -0.51 4.01 3.60 2g7yB1 PRO 131 HA -0.12 0.19 0.64 -0.51 4.44 4.64 2g7yB1 PRO 131 HB2 -0.13 -0.02 0.01 -0.04 2.28 2.10 2g7yB1 PRO 131 HB3 -0.04 -0.04 -0.04 -0.04 2.02 1.85 2g7yB1 PRO 131 HG2 -0.21 0.09 0.08 -0.04 2.03 1.95 2g7yB1 PRO 131 HG3 -0.36 -0.05 0.10 -0.04 2.03 1.68 2g7yB1 PRO 131 HD2 -0.56 0.13 0.26 -0.04 3.68 3.47 2g7yB1 PRO 131 HD3 -1.70 0.12 0.22 -0.04 3.65 2.25 2g7yB1 VAL 131 H -0.00 0.36 0.35 -0.55 8.24 8.40 2g7yB1 VAL 131 HA 0.05 0.23 1.02 -0.75 4.13 4.67 2g7yB1 VAL 131 HB -0.03 -0.09 0.13 -0.04 2.12 2.08 2g7yB1 VAL 131 HG13 0.07 0.03 -0.15 -0.04 0.97 0.88 2g7yB1 VAL 131 HG23 -0.06 0.05 -0.19 -0.04 0.95 0.71 2g7yB1 SER 131 H 0.15 0.58 0.42 -0.55 8.46 9.06 2g7yB1 SER 131 HA 0.04 0.13 0.76 -0.75 4.49 4.66 2g7yB1 SER 131 HB2 0.22 0.07 0.21 -0.04 3.95 4.40 2g7yB1 SER 131 HB3 0.05 -0.11 0.03 -0.04 3.93 3.87 2g7yB1 VAL 132 H -0.02 0.60 0.45 -0.55 8.24 8.72 2g7yB1 VAL 132 HA 0.02 0.26 0.79 -0.75 4.13 4.45 2g7yB1 VAL 132 HB -0.08 0.18 0.10 -0.04 2.12 2.28 2g7yB1 VAL 132 HG13 -0.13 -0.01 -0.27 -0.04 0.97 0.53 2g7yB1 VAL 132 HG23 -0.08 -0.04 -0.22 -0.04 0.95 0.57 2g7yB1 GLY 133 H 0.05 0.21 0.17 -0.55 8.43 8.31 2g7yB1 GLY 133 HA2 -0.04 0.24 0.96 -0.51 4.01 4.66 2g7yB1 GLY 133 HA3 0.04 -0.03 0.29 -0.51 4.01 3.79 2g7yB1 VAL 134 H -0.04 0.46 0.34 -0.55 8.24 8.44 2g7yB1 VAL 134 HA -0.01 0.38 0.74 -0.75 4.13 4.49 2g7yB1 VAL 134 HB -0.02 0.05 -0.02 -0.04 2.12 2.08 2g7yB1 VAL 134 HG13 -0.01 -0.01 -0.35 -0.04 0.97 0.56 2g7yB1 VAL 134 HG23 -0.13 0.01 -0.24 -0.04 0.95 0.54 2g7yB1 ASP 135 H -0.02 0.65 0.20 -0.55 8.40 8.69 2g7yB1 ASP 135 HA -0.04 0.06 0.75 -0.75 4.63 4.65 2g7yB1 ASP 135 HB2 0.04 0.15 -0.15 -0.04 2.71 2.71 2g7yB1 ASP 135 HB3 0.04 -0.03 0.26 -0.04 2.70 2.93 2g7yB1 ALA 136 H -0.21 0.21 0.10 -0.55 8.40 7.95 2g7yB1 ALA 136 HA -0.51 0.19 0.82 -0.75 4.34 4.09 2g7yB1 ALA 136 HB3 -1.28 0.02 -0.01 -0.04 1.41 0.10 2g7yB1 ARG 137 H -0.15 0.09 -0.20 -0.55 8.46 7.64 2g7yB1 ARG 137 HA -0.00 0.16 0.49 -0.75 4.34 4.24 2g7yB1 ARG 137 HB2 -0.31 -0.01 0.10 -0.04 1.90 1.64 2g7yB1 ARG 137 HB3 -0.20 0.05 0.21 -0.04 1.80 1.81 2g7yB1 ARG 137 HG2 -0.04 0.04 -0.02 -0.04 1.67 1.61 2g7yB1 ARG 137 HG3 -0.08 -0.05 0.02 -0.04 1.67 1.51 2g7yB1 ARG 137 HD2 -0.08 0.00 0.03 -0.04 3.22 3.14 2g7yB1 ARG 137 HD3 -0.04 0.02 0.01 -0.04 3.22 3.18 2g7yB1 HIS 138 H 0.18 0.41 -0.60 -0.55 8.41 7.86 2g7yB1 HIS 138 HA 0.16 0.28 0.79 -0.75 4.63 5.10 2g7yB1 HIS 138 HB2 0.26 -0.09 -0.09 -0.04 3.26 3.31 2g7yB1 HIS 138 HB3 0.18 -0.03 -0.01 -0.04 3.20 3.30 2g7yB1 HIS 138 HD2 0.06 0.05 -0.30 -0.04 6.97 6.73 2g7yB1 HIS 138 HE1 0.03 0.09 -0.05 -0.04 7.75 7.79 2g7yB1 PRO 139 HA 0.32 0.10 0.41 -0.51 4.44 4.77 2g7yB1 PRO 139 HB2 0.17 0.01 0.05 -0.04 2.28 2.47 2g7yB1 PRO 139 HB3 0.12 0.09 0.07 -0.04 2.02 2.25 2g7yB1 PRO 139 HG2 0.10 0.08 0.08 -0.04 2.03 2.25 2g7yB1 PRO 139 HG3 0.08 0.08 0.06 -0.04 2.03 2.21 2g7yB1 PRO 139 HD2 0.23 0.08 0.19 -0.04 3.68 4.14 2g7yB1 PRO 139 HD3 0.17 0.23 0.18 -0.04 3.65 4.19 2g7yB1 SER 140 H 0.32 0.12 -0.24 -0.55 8.46 8.11 2g7yB1 SER 140 HA 0.29 0.10 0.29 -0.75 4.49 4.42 2g7yB1 SER 140 HB2 0.35 0.06 -0.03 -0.04 3.95 4.29 2g7yB1 SER 140 HB3 0.22 0.03 0.05 -0.04 3.93 4.18 2g7yB1 PHE 141 H 0.55 0.27 -0.37 -0.55 8.34 8.25 2g7yB1 PHE 141 HA -0.19 0.03 0.40 -0.75 4.62 4.11 2g7yB1 PHE 141 HB2 0.07 -0.09 0.07 -0.04 3.15 3.16 2g7yB1 PHE 141 HB3 0.01 0.18 0.13 -0.04 3.06 3.33 2g7yB1 PHE 141 HD2 -0.41 0.03 -0.17 -0.04 7.28 6.68 2g7yB1 PHE 141 HE2 -1.06 -0.01 -0.12 -0.04 7.38 6.15 2g7yB1 PHE 141 HZ -0.51 -0.02 -0.14 -0.04 7.32 6.61 2g7yB1 PHE 142 H 0.67 0.23 -0.08 -0.55 8.34 8.61 2g7yB1 PHE 142 HA 0.66 0.03 0.44 -0.75 4.62 4.99 2g7yB1 PHE 142 HB2 0.20 0.09 0.16 -0.04 3.15 3.56 2g7yB1 PHE 142 HB3 0.15 -0.01 0.02 -0.04 3.06 3.18 2g7yB1 PHE 142 HD2 0.01 0.05 -0.01 -0.04 7.28 7.28 2g7yB1 PHE 142 HE2 -0.21 -0.00 -0.02 -0.04 7.38 7.10 2g7yB1 PHE 142 HZ -0.00 -0.02 -0.03 -0.04 7.32 7.23 2g7yB1 LEU 147 H 0.36 0.35 -0.26 -0.55 8.37 8.28 2g7yB1 LEU 147 HA 0.17 0.13 0.62 -0.75 4.35 4.51 2g7yB1 LEU 147 HB2 0.19 -0.03 -0.00 -0.04 1.64 1.76 2g7yB1 LEU 147 HB3 0.11 -0.04 0.08 -0.04 1.64 1.75 2g7yB1 LEU 147 HG 0.21 0.08 -0.05 -0.04 1.64 1.84 2g7yB1 LEU 147 HD13 0.11 -0.04 -0.10 -0.04 0.93 0.86 2g7yB1 LEU 147 HD23 0.10 0.01 -0.05 -0.04 0.89 0.90 2g7yB1 TYR 148 H 0.21 0.25 -0.45 -0.55 8.29 7.75 2g7yB1 TYR 148 HA 0.02 -0.08 0.39 -0.75 4.56 4.13 2g7yB1 TYR 148 HB2 -0.17 -0.00 0.12 -0.04 3.06 2.97 2g7yB1 TYR 148 HB3 -0.40 0.13 0.10 -0.04 2.98 2.77 2g7yB1 TYR 148 HD2 -0.24 -0.00 -0.13 -0.04 7.15 6.73 2g7yB1 TYR 148 HE2 -0.05 0.09 -0.16 -0.04 6.85 6.69 2g7yB1 ARG 149 H -0.59 -0.01 0.23 -0.55 8.46 7.54 2g7yB1 ARG 149 HA -0.40 0.22 1.02 -0.75 4.34 4.42 2g7yB1 ARG 149 HB2 -0.21 -0.06 0.15 -0.04 1.90 1.73 2g7yB1 ARG 149 HB3 -0.19 -0.02 0.00 -0.04 1.80 1.55 2g7yB1 ARG 149 HG2 -0.11 0.29 -0.18 -0.04 1.67 1.63 2g7yB1 ARG 149 HG3 -0.08 -0.07 0.01 -0.04 1.67 1.49 2g7yB1 ARG 149 HD2 -0.16 0.09 0.12 -0.04 3.22 3.23 2g7yB1 ARG 149 HD3 -0.06 -0.02 0.01 -0.04 3.22 3.11 2g7yB1 SER 150 H -0.61 0.18 0.22 -0.55 8.46 7.71 2g7yB1 SER 150 HA -0.33 0.10 0.48 -0.75 4.49 3.98 2g7yB1 SER 150 HB2 -0.10 -0.08 0.11 -0.04 3.95 3.83 2g7yB1 SER 150 HB3 -0.17 0.20 -0.20 -0.04 3.93 3.72 2g7yB1 GLY 151 H -0.03 0.10 0.12 -0.55 8.43 8.08 2g7yB1 GLY 151 HA2 0.01 0.02 0.31 -0.51 4.01 3.83 2g7yB1 GLY 151 HA3 0.03 0.15 0.58 -0.51 4.01 4.26 2g7yB1 VAL 152 H 0.08 0.14 0.12 -0.55 8.24 8.02 2g7yB1 VAL 152 HA 0.12 0.21 0.70 -0.75 4.13 4.40 2g7yB1 VAL 152 HB 0.09 -0.02 0.08 -0.04 2.12 2.23 2g7yB1 VAL 152 HG13 0.16 0.01 -0.33 -0.04 0.97 0.77 2g7yB1 VAL 152 HG23 0.11 -0.00 -0.13 -0.04 0.95 0.89 2g7yB1 TYR 153 H 0.25 0.91 0.37 -0.55 8.29 9.28 2g7yB1 TYR 153 HA 0.21 0.06 0.48 -0.75 4.56 4.56 2g7yB1 TYR 153 HB2 -0.22 0.04 0.01 -0.04 3.06 2.85 2g7yB1 TYR 153 HB3 -0.01 -0.06 0.11 -0.04 2.98 2.98 2g7yB1 TYR 153 HD2 0.23 -0.00 -0.14 -0.04 7.15 7.20 2g7yB1 TYR 153 HE2 0.19 0.00 -0.35 -0.04 6.85 6.66 2g7yB1 TYR 154 H -0.19 0.30 0.18 -0.55 8.29 8.02 2g7yB1 TYR 154 HA -0.30 0.06 0.73 -0.75 4.56 4.30 2g7yB1 TYR 154 HB2 -0.19 0.06 -0.13 -0.04 3.06 2.76 2g7yB1 TYR 154 HB3 -0.14 0.03 0.09 -0.04 2.98 2.92 2g7yB1 TYR 154 HD2 -0.37 -0.01 -0.09 -0.04 7.15 6.64 2g7yB1 TYR 154 HE2 -0.10 0.01 -0.06 -0.04 6.85 6.66 2g7yB1 GLU 155 H -0.17 0.20 0.04 -0.55 8.60 8.12 2g7yB1 GLU 155 HA -0.23 0.27 0.95 -0.75 4.29 4.52 2g7yB1 GLU 155 HB2 -0.29 0.04 -0.12 -0.04 2.09 1.67 2g7yB1 GLU 155 HB3 -0.21 0.01 0.09 -0.04 1.99 1.84 2g7yB1 GLU 155 HG2 -0.18 0.01 -0.11 -0.04 2.34 2.02 2g7yB1 GLU 155 HG3 -0.37 -0.13 -0.22 -0.04 2.34 1.58 2g7yB1 PRO 155 HA -0.06 0.09 0.40 -0.51 4.44 4.37 2g7yB1 PRO 155 HB2 0.01 0.01 0.06 -0.04 2.28 2.31 2g7yB1 PRO 155 HB3 0.07 0.06 0.09 -0.04 2.02 2.20 2g7yB1 PRO 155 HG2 0.07 0.06 0.08 -0.04 2.03 2.21 2g7yB1 PRO 155 HG3 0.23 0.06 0.06 -0.04 2.03 2.33 2g7yB1 PRO 155 HD2 -0.04 0.06 0.21 -0.04 3.68 3.87 2g7yB1 PRO 155 HD3 -0.02 0.29 0.16 -0.04 3.65 4.05 2g7yB1 SER 155 H -0.14 0.02 -0.30 -0.55 8.46 7.49 2g7yB1 SER 155 HA -0.06 0.23 0.66 -0.75 4.49 4.56 2g7yB1 SER 155 HB2 -0.17 -0.07 0.01 -0.04 3.95 3.67 2g7yB1 SER 155 HB3 -0.02 0.03 0.13 -0.04 3.93 4.02 2g7yB1 CYS 155 H -0.27 0.52 -0.30 -0.55 8.50 7.91 2g7yB1 CYS 155 HA -0.27 0.01 0.44 -0.75 4.58 4.00 2g7yB1 CYS 155 HB2 -0.44 0.21 0.20 -0.04 2.97 2.90 2g7yB1 CYS 155 HB3 -0.35 -0.15 0.06 -0.04 2.97 2.50 2g7yB1 THR 155 H 0.06 0.11 0.23 -0.55 8.28 8.13 2g7yB1 THR 155 HA 0.02 0.29 0.87 -0.75 4.39 4.82 2g7yB1 THR 155 HB 0.06 -0.05 0.18 -0.04 4.32 4.47 2g7yB1 THR 155 HG23 0.10 0.06 -0.09 -0.04 1.22 1.25 2g7yB1 GLN 155 H 0.06 0.22 0.12 -0.55 8.47 8.32 2g7yB1 GLN 155 HA 0.05 0.13 0.65 -0.75 4.36 4.44 2g7yB1 GLN 155 HB2 0.11 0.03 0.10 -0.04 2.15 2.35 2g7yB1 GLN 155 HB3 0.18 0.01 0.19 -0.04 2.02 2.35 2g7yB1 GLN 155 HG2 0.09 0.02 0.05 -0.04 2.40 2.51 2g7yB1 GLN 155 HG3 0.03 -0.01 0.09 -0.04 2.39 2.45 2g7yB1 GLN 155 HE21 0.05 0.04 -0.06 -0.04 6.97 6.96 2g7yB1 GLN 155 HE22 0.04 0.28 0.01 -0.04 7.69 7.99 2g7yB1 ASN 156 H 0.07 0.02 -0.36 -0.55 8.53 7.71 2g7yB1 ASN 156 HA 0.12 0.14 0.63 -0.75 4.76 4.89 2g7yB1 ASN 156 HB2 0.05 -0.05 0.13 -0.04 2.88 2.97 2g7yB1 ASN 156 HB3 0.04 0.09 0.02 -0.04 2.79 2.90 2g7yB1 ASN 156 HD21 0.05 0.05 0.01 -0.04 7.03 7.10 2g7yB1 ASN 156 HD22 0.05 -0.00 0.04 -0.04 7.74 7.79 2g7yB1 VAL 157 H 0.15 0.22 0.02 -0.55 8.24 8.08 2g7yB1 VAL 157 HA 0.02 0.04 0.01 -0.75 4.13 3.45 2g7yB1 VAL 157 HB 0.04 -0.17 -0.25 -0.04 2.12 1.71 2g7yB1 VAL 157 HG13 0.13 0.07 -0.23 -0.04 0.97 0.89 2g7yB1 VAL 157 HG23 0.13 0.01 -0.07 -0.04 0.95 0.98 2g7yB1 ASN 158 H -0.02 0.40 0.28 -0.55 8.53 8.64 2g7yB1 ASN 158 HA -0.06 0.14 0.58 -0.75 4.76 4.67 2g7yB1 ASN 158 HB2 -0.03 0.03 0.15 -0.04 2.88 2.99 2g7yB1 ASN 158 HB3 -0.03 0.10 -0.31 -0.04 2.79 2.51 2g7yB1 ASN 158 HD21 -0.03 -0.03 -0.13 -0.04 7.03 6.80 2g7yB1 ASN 158 HD22 -0.01 0.07 -0.01 -0.04 7.74 7.74 2g7yB1 HIS 159 H -0.02 0.16 0.30 -0.55 8.41 8.31 2g7yB1 HIS 159 HA -0.09 0.12 0.87 -0.75 4.63 4.77 2g7yB1 HIS 159 HB2 -0.25 -0.02 -0.13 -0.04 3.26 2.81 2g7yB1 HIS 159 HB3 -0.34 0.00 0.08 -0.04 3.20 2.91 2g7yB1 HIS 159 HD2 -0.54 -0.01 -0.21 -0.04 6.97 6.16 2g7yB1 HIS 159 HE1 -0.05 -0.01 -0.02 -0.04 7.75 7.62 2g7yB1 GLY 160 H -0.27 0.06 0.06 -0.55 8.43 7.72 2g7yB1 GLY 160 HA2 -0.13 0.26 0.80 -0.51 4.01 4.43 2g7yB1 GLY 160 HA3 -0.12 -0.07 0.20 -0.51 4.01 3.51 2g7yB1 VAL 161 H -0.12 0.74 0.43 -0.55 8.24 8.74 2g7yB1 VAL 161 HA -0.21 0.14 0.77 -0.75 4.13 4.08 2g7yB1 VAL 161 HB -0.11 0.05 0.04 -0.04 2.12 2.06 2g7yB1 VAL 161 HG13 -0.27 -0.04 -0.30 -0.04 0.97 0.31 2g7yB1 VAL 161 HG23 -0.06 0.00 -0.22 -0.04 0.95 0.63 2g7yB1 LEU 168 H -0.07 0.54 0.26 -0.55 8.37 8.55 2g7yB1 LEU 168 HA -0.01 0.24 1.11 -0.75 4.35 4.94 2g7yB1 LEU 168 HB2 -0.02 -0.01 -0.08 -0.04 1.64 1.49 2g7yB1 LEU 168 HB3 -0.01 -0.02 0.14 -0.04 1.64 1.71 2g7yB1 LEU 168 HG 0.04 0.02 -0.43 -0.04 1.64 1.22 2g7yB1 LEU 168 HD13 0.02 0.07 -0.31 -0.04 0.93 0.67 2g7yB1 LEU 168 HD23 0.02 -0.01 -0.17 -0.04 0.89 0.69 2g7yB1 VAL 169 H 0.01 0.73 0.29 -0.55 8.24 8.73 2g7yB1 VAL 169 HA 0.14 0.16 0.82 -0.75 4.13 4.50 2g7yB1 VAL 169 HB -0.00 0.01 0.31 -0.04 2.12 2.40 2g7yB1 VAL 169 HG13 0.27 -0.03 -0.01 -0.04 0.97 1.16 2g7yB1 VAL 169 HG23 -0.16 -0.01 -0.05 -0.04 0.95 0.69 2g7yB1 VAL 170 H 0.24 0.55 0.36 -0.55 8.24 8.85 2g7yB1 VAL 170 HA 0.22 0.22 0.94 -0.75 4.13 4.76 2g7yB1 VAL 170 HB 0.29 -0.12 0.14 -0.04 2.12 2.39 2g7yB1 VAL 170 HG13 0.17 0.03 -0.14 -0.04 0.97 0.99 2g7yB1 VAL 170 HG23 0.30 0.01 -0.13 -0.04 0.95 1.09 2g7yB1 GLY 171 H 0.36 0.25 0.03 -0.55 8.43 8.53 2g7yB1 GLY 171 HA2 0.24 0.07 0.19 -0.51 4.01 4.00 2g7yB1 GLY 171 HA3 0.16 0.17 0.59 -0.51 4.01 4.42 2g7yB1 TYR 172 H -0.21 0.60 0.43 -0.55 8.29 8.56 2g7yB1 TYR 172 HA 0.01 0.00 0.61 -0.75 4.56 4.43 2g7yB1 TYR 172 HB2 -0.51 0.11 0.26 -0.04 3.06 2.88 2g7yB1 TYR 172 HB3 0.10 0.03 0.01 -0.04 2.98 3.08 2g7yB1 TYR 172 HD2 0.03 0.04 -0.27 -0.04 7.15 6.90 2g7yB1 TYR 172 HE2 0.02 0.16 -0.26 -0.04 6.85 6.72 2g7yB1 GLY 173 H -0.62 0.54 0.34 -0.55 8.43 8.14 2g7yB1 GLY 173 HA2 -0.20 0.28 0.49 -0.51 4.01 4.06 2g7yB1 GLY 173 HA3 -0.40 0.01 0.51 -0.51 4.01 3.62 2g7yB1 ASP 174 H -0.19 0.27 0.14 -0.55 8.40 8.08 2g7yB1 ASP 174 HA -0.17 0.26 0.67 -0.75 4.63 4.64 2g7yB1 ASP 174 HB2 -0.05 -0.00 -0.50 -0.04 2.71 2.11 2g7yB1 ASP 174 HB3 -0.14 0.09 -0.31 -0.04 2.70 2.30 2g7yB1 LEU 174 H 0.50 0.74 0.04 -0.55 8.37 9.10 2g7yB1 LEU 174 HA 0.29 0.09 0.66 -0.75 4.35 4.63 2g7yB1 LEU 174 HB2 0.36 0.01 -0.19 -0.04 1.64 1.77 2g7yB1 LEU 174 HB3 0.29 -0.09 -0.07 -0.04 1.64 1.74 2g7yB1 LEU 174 HG 0.24 -0.03 -0.34 -0.04 1.64 1.47 2g7yB1 LEU 174 HD13 0.07 0.01 -0.15 -0.04 0.93 0.83 2g7yB1 LEU 174 HD23 0.06 0.01 -0.13 -0.04 0.89 0.79 2g7yB1 ASN 174 H 0.03 0.22 0.01 -0.55 8.53 8.25 2g7yB1 ASN 174 HA 0.01 0.05 0.30 -0.75 4.76 4.36 2g7yB1 ASN 174 HB2 0.01 0.16 -0.04 -0.04 2.88 2.97 2g7yB1 ASN 174 HB3 0.00 0.02 0.21 -0.04 2.79 2.98 2g7yB1 ASN 174 HD21 0.00 0.01 -0.03 -0.04 7.03 6.98 2g7yB1 ASN 174 HD22 0.00 0.02 -0.03 -0.04 7.74 7.70 2g7yB1 GLY 174 H 0.00 0.06 -0.44 -0.55 8.43 7.50 2g7yB1 GLY 174 HA2 -0.02 0.01 0.25 -0.51 4.01 3.74 2g7yB1 GLY 174 HA3 -0.02 0.22 0.71 -0.51 4.01 4.42 2g7yB1 LYS 174 H 0.08 0.76 0.40 -0.55 8.42 9.10 2g7yB1 LYS 174 HA -0.55 0.13 0.73 -0.75 4.32 3.89 2g7yB1 LYS 174 HB2 0.14 -0.04 0.07 -0.04 1.87 2.00 2g7yB1 LYS 174 HB3 -0.04 -0.06 0.19 -0.04 1.79 1.84 2g7yB1 LYS 174 HG2 -0.29 0.16 -0.10 -0.04 1.46 1.19 2g7yB1 LYS 174 HG3 -0.59 0.02 -0.01 -0.04 1.46 0.84 2g7yB1 LYS 174 HD2 0.08 -0.02 -0.06 -0.04 1.69 1.65 2g7yB1 LYS 174 HD3 -0.03 -0.07 -0.07 -0.04 1.68 1.46 2g7yB1 LYS 174 HE2 -0.09 -0.10 -0.09 -0.04 2.99 2.67 2g7yB1 LYS 174 HE3 0.03 0.10 -0.22 -0.04 2.99 2.86 2g7yB1 GLU 174 H -0.05 0.17 0.28 -0.55 8.60 8.45 2g7yB1 GLU 174 HA -0.18 0.17 0.73 -0.75 4.29 4.26 2g7yB1 GLU 174 HB2 -0.14 0.06 0.15 -0.04 2.09 2.13 2g7yB1 GLU 174 HB3 -0.28 -0.01 0.06 -0.04 1.99 1.72 2g7yB1 GLU 174 HG2 -0.16 0.02 0.01 -0.04 2.34 2.17 2g7yB1 GLU 174 HG3 -0.10 0.11 0.12 -0.04 2.34 2.43 2g7yB1 TYR 174 H -0.54 0.68 0.36 -0.55 8.29 8.24 2g7yB1 TYR 174 HA -0.08 0.14 0.75 -0.75 4.56 4.62 2g7yB1 TYR 174 HB2 0.09 -0.02 -0.23 -0.04 3.06 2.86 2g7yB1 TYR 174 HB3 0.03 0.03 -0.47 -0.04 2.98 2.54 2g7yB1 TYR 174 HD2 0.06 0.07 -0.62 -0.04 7.15 6.62 2g7yB1 TYR 174 HE2 0.03 0.02 -0.48 -0.04 6.85 6.37 2g7yB1 TRP 174 H 0.42 0.70 0.27 -0.55 7.97 8.81 2g7yB1 TRP 174 HA 0.23 0.18 0.94 -0.75 4.62 5.22 2g7yB1 TRP 174 HB2 0.17 -0.04 0.10 -0.04 3.23 3.41 2g7yB1 TRP 174 HB3 0.16 0.05 -0.01 -0.04 3.23 3.38 2g7yB1 TRP 174 HD1 0.13 0.17 -0.19 -0.04 7.22 7.29 2g7yB1 TRP 174 HE1 0.04 -0.20 0.01 -0.04 10.20 10.01 2g7yB1 TRP 174 HE3 0.19 0.18 0.09 -0.04 7.59 8.01 2g7yB1 TRP 174 HZ2 -0.04 -0.14 0.04 -0.04 7.44 7.26 2g7yB1 TRP 174 HZ3 0.04 0.07 -0.15 -0.04 7.13 7.05 2g7yB1 TRP 174 HH2 -0.12 0.02 -0.08 -0.04 7.19 6.97 2g7yB1 LEU 174 H 0.50 0.74 0.04 -0.55 8.37 9.10 2g7yB1 LEU 174 HA 0.29 0.09 0.66 -0.75 4.35 4.63 2g7yB1 LEU 174 HB2 0.36 0.01 -0.19 -0.04 1.64 1.77 2g7yB1 LEU 174 HB3 0.29 -0.09 -0.07 -0.04 1.64 1.74 2g7yB1 LEU 174 HG 0.24 -0.03 -0.34 -0.04 1.64 1.47 2g7yB1 LEU 174 HD13 0.07 0.01 -0.15 -0.04 0.93 0.83 2g7yB1 LEU 174 HD23 0.06 0.01 -0.13 -0.04 0.89 0.79 2g7yB1 VAL 174 H 0.21 0.55 0.28 -0.55 8.24 8.73 2g7yB1 VAL 174 HA 0.17 0.26 1.23 -0.75 4.13 5.04 2g7yB1 VAL 174 HB 0.07 0.09 0.14 -0.04 2.12 2.37 2g7yB1 VAL 174 HG13 -0.00 -0.02 -0.35 -0.04 0.97 0.56 2g7yB1 VAL 174 HG23 0.17 -0.00 -0.24 -0.04 0.95 0.83 2g7yB1 LYS 174 H 0.08 0.76 0.40 -0.55 8.42 9.10 2g7yB1 LYS 174 HA -0.55 0.13 0.73 -0.75 4.32 3.89 2g7yB1 LYS 174 HB2 0.14 -0.04 0.07 -0.04 1.87 2.00 2g7yB1 LYS 174 HB3 -0.04 -0.06 0.19 -0.04 1.79 1.84 2g7yB1 LYS 174 HG2 -0.29 0.16 -0.10 -0.04 1.46 1.19 2g7yB1 LYS 174 HG3 -0.59 0.02 -0.01 -0.04 1.46 0.84 2g7yB1 LYS 174 HD2 0.08 -0.02 -0.06 -0.04 1.69 1.65 2g7yB1 LYS 174 HD3 -0.03 -0.07 -0.07 -0.04 1.68 1.46 2g7yB1 LYS 174 HE2 -0.09 -0.10 -0.09 -0.04 2.99 2.67 2g7yB1 LYS 174 HE3 0.03 0.10 -0.22 -0.04 2.99 2.86 2g7yB1 ASN 175 H -0.31 0.58 0.33 -0.55 8.53 8.58 2g7yB1 ASN 175 HA -0.31 0.09 0.76 -0.75 4.76 4.54 2g7yB1 ASN 175 HB2 -0.29 0.02 -0.06 -0.04 2.88 2.51 2g7yB1 ASN 175 HB3 -0.32 0.16 0.02 -0.04 2.79 2.61 2g7yB1 ASN 175 HD21 -2.97 0.01 -0.06 -0.04 7.03 3.98 2g7yB1 ASN 175 HD22 -1.91 0.10 -0.09 -0.04 7.74 5.80 2g7yB1 SER 176 H -0.49 0.15 0.09 -0.55 8.46 7.66 2g7yB1 SER 176 HA -0.35 0.29 0.97 -0.75 4.49 4.64 2g7yB1 SER 176 HB2 -0.99 -0.09 0.10 -0.04 3.95 2.93 2g7yB1 SER 176 HB3 -0.40 0.07 -0.06 -0.04 3.93 3.50 2g7yB1 TRP 177 H -0.11 0.26 -0.14 -0.55 7.97 7.43 2g7yB1 TRP 177 HA -0.26 0.06 0.97 -0.75 4.62 4.63 2g7yB1 TRP 177 HB2 -0.46 0.06 0.06 -0.04 3.23 2.85 2g7yB1 TRP 177 HB3 -0.09 0.04 0.21 -0.04 3.23 3.35 2g7yB1 TRP 177 HD1 -0.22 0.09 -0.23 -0.04 7.22 6.83 2g7yB1 TRP 177 HE1 0.05 -0.02 -0.03 -0.04 10.20 10.16 2g7yB1 TRP 177 HE3 -0.94 0.05 -0.01 -0.04 7.59 6.65 2g7yB1 TRP 177 HZ2 -0.53 -0.01 -0.04 -0.04 7.44 6.82 2g7yB1 TRP 177 HZ3 -0.29 0.08 -0.11 -0.04 7.13 6.77 2g7yB1 TRP 177 HH2 -1.34 0.02 -0.05 -0.04 7.19 5.78 2g7yB1 GLY 188 H -0.02 0.51 -0.10 -0.55 8.43 8.28 2g7yB1 GLY 188 HA2 -0.12 0.05 0.01 -0.51 4.01 3.44 2g7yB1 GLY 188 HA3 0.21 0.08 0.45 -0.51 4.01 4.24 2g7yB1 HIS 189 H -0.41 0.14 0.04 -0.55 8.41 7.64 2g7yB1 HIS 189 HA 0.09 0.17 0.15 -0.75 4.63 4.29 2g7yB1 HIS 189 HB2 0.04 -0.00 -0.01 -0.04 3.26 3.25 2g7yB1 HIS 189 HB3 0.06 0.06 0.04 -0.04 3.20 3.32 2g7yB1 HIS 189 HD2 0.00 -0.00 0.02 -0.04 6.97 6.94 2g7yB1 HIS 189 HE1 0.03 0.08 0.06 -0.04 7.75 7.88 2g7yB1 ASN 190 H 0.14 0.03 -0.28 -0.55 8.53 7.87 2g7yB1 ASN 190 HA 0.11 0.18 0.63 -0.75 4.76 4.93 2g7yB1 ASN 190 HB2 0.10 -0.03 0.03 -0.04 2.88 2.94 2g7yB1 ASN 190 HB3 0.09 0.04 0.08 -0.04 2.79 2.96 2g7yB1 ASN 190 HD21 0.03 -0.01 -0.00 -0.04 7.03 7.01 2g7yB1 ASN 190 HD22 0.04 0.02 0.02 -0.04 7.74 7.79 2g7yB1 PHE 191 H 0.31 0.25 -0.43 -0.55 8.34 7.93 2g7yB1 PHE 191 HA 0.14 0.15 0.66 -0.75 4.62 4.82 2g7yB1 PHE 191 HB2 0.30 0.04 0.01 -0.04 3.15 3.46 2g7yB1 PHE 191 HB3 0.18 0.02 -0.07 -0.04 3.06 3.15 2g7yB1 PHE 191 HD2 0.20 -0.00 -0.23 -0.04 7.28 7.21 2g7yB1 PHE 191 HE2 -0.06 0.05 -0.15 -0.04 7.38 7.17 2g7yB1 PHE 191 HZ -0.98 -0.03 -0.08 -0.04 7.32 6.19 2g7yB1 GLY 192 H -0.62 0.26 0.18 -0.55 8.43 7.69 2g7yB1 GLY 192 HA2 -0.42 0.17 0.29 -0.51 4.01 3.54 2g7yB1 GLY 192 HA3 -0.39 -0.01 0.26 -0.51 4.01 3.36 2g7yB1 GLU 193 H 0.15 0.49 0.19 -0.55 8.60 8.89 2g7yB1 GLU 193 HA 0.00 0.13 0.70 -0.75 4.29 4.37 2g7yB1 GLU 193 HB2 0.16 -0.04 0.08 -0.04 2.09 2.26 2g7yB1 GLU 193 HB3 0.06 -0.03 0.10 -0.04 1.99 2.08 2g7yB1 GLU 193 HG2 -0.04 0.08 0.11 -0.04 2.34 2.45 2g7yB1 GLU 193 HG3 0.04 0.02 0.00 -0.04 2.34 2.36 2g7yB1 GLU 194 H 0.06 0.49 -0.02 -0.55 8.60 8.58 2g7yB1 GLU 194 HA 0.13 0.41 0.39 -0.75 4.29 4.47 2g7yB1 GLU 194 HB2 0.13 0.03 -0.10 -0.04 2.09 2.12 2g7yB1 GLU 194 HB3 0.13 -0.06 0.22 -0.04 1.99 2.24 2g7yB1 GLU 194 HG2 0.06 0.05 0.08 -0.04 2.34 2.49 2g7yB1 GLU 194 HG3 0.05 -0.04 -0.02 -0.04 2.34 2.28 2g7yB1 GLY 195 H 0.19 0.84 -0.26 -0.55 8.43 8.65 2g7yB1 GLY 195 HA2 0.20 0.05 0.24 -0.51 4.01 4.00 2g7yB1 GLY 195 HA3 0.06 0.03 0.65 -0.51 4.01 4.24 2g7yB1 TYR 196 H 0.32 0.44 -0.48 -0.55 8.29 8.02 2g7yB1 TYR 196 HA 0.10 0.20 1.05 -0.75 4.56 5.15 2g7yB1 TYR 196 HB2 0.07 0.13 0.01 -0.04 3.06 3.23 2g7yB1 TYR 196 HB3 0.06 -0.10 -0.02 -0.04 2.98 2.88 2g7yB1 TYR 196 HD2 0.08 0.11 -0.29 -0.04 7.15 7.01 2g7yB1 TYR 196 HE2 0.08 -0.01 -0.07 -0.04 6.85 6.81 2g7yB1 ILE 197 H 0.14 0.63 0.30 -0.55 8.25 8.77 2g7yB1 ILE 197 HA -0.08 0.10 0.69 -0.75 4.18 4.14 2g7yB1 ILE 197 HB -0.32 0.09 -0.18 -0.04 1.89 1.44 2g7yB1 ILE 197 HG12 -0.47 -0.06 -0.51 -0.04 1.49 0.41 2g7yB1 ILE 197 HG13 -1.88 0.01 -0.07 -0.04 1.21 -0.76 2g7yB1 ILE 197 HG23 -0.12 -0.00 -0.09 -0.04 0.93 0.68 2g7yB1 ILE 197 HD13 -1.18 0.00 -0.11 -0.04 0.88 -0.45 2g7yB1 ARG 198 H -0.04 0.26 0.09 -0.55 8.46 8.22 2g7yB1 ARG 198 HA 0.09 0.33 0.96 -0.75 4.34 4.97 2g7yB1 ARG 198 HB2 -0.10 0.17 0.11 -0.04 1.90 2.04 2g7yB1 ARG 198 HB3 -0.38 -0.03 -0.11 -0.04 1.80 1.24 2g7yB1 ARG 198 HG2 -0.33 0.02 -0.18 -0.04 1.67 1.14 2g7yB1 ARG 198 HG3 -0.13 -0.04 -0.17 -0.04 1.67 1.29 2g7yB1 ARG 198 HD2 -1.78 -0.02 -0.22 -0.04 3.22 1.16 2g7yB1 ARG 198 HD3 -0.65 0.01 -0.18 -0.04 3.22 2.37 2g7yB1 MET 199 H 0.27 0.51 0.27 -0.55 8.47 8.97 2g7yB1 MET 199 HA 0.31 0.15 0.94 -0.75 4.52 5.16 2g7yB1 MET 199 HB2 0.36 -0.02 0.05 -0.04 2.15 2.50 2g7yB1 MET 199 HB3 0.40 0.06 -0.01 -0.04 2.03 2.44 2g7yB1 MET 199 HG2 0.11 -0.00 -0.18 -0.04 2.63 2.53 2g7yB1 MET 199 HG3 0.07 0.02 -0.28 -0.04 2.56 2.32 2g7yB1 MET 199 HE3 0.26 0.00 -0.10 -0.04 2.10 2.22 2g7yB1 ALA 200 H 0.30 0.56 0.25 -0.55 8.40 8.96 2g7yB1 ALA 200 HA 0.14 0.18 0.43 -0.75 4.34 4.34 2g7yB1 ALA 200 HB3 0.04 0.00 0.08 -0.04 1.41 1.48 2g7yB1 ARG 201 H -0.01 0.64 0.13 -0.55 8.46 8.68 2g7yB1 ARG 201 HA 0.13 0.05 0.80 -0.75 4.34 4.58 2g7yB1 ARG 201 HB2 -1.07 0.02 -0.34 -0.04 1.90 0.46 2g7yB1 ARG 201 HB3 -0.44 -0.00 -0.39 -0.04 1.80 0.93 2g7yB1 ARG 201 HG2 -0.50 0.02 -0.24 -0.04 1.67 0.91 2g7yB1 ARG 201 HG3 -0.72 -0.16 -0.00 -0.04 1.67 0.74 2g7yB1 ARG 201 HD2 -1.62 -0.00 -0.05 -0.04 3.22 1.51 2g7yB1 ARG 201 HD3 -2.91 0.02 -0.13 -0.04 3.22 0.15 2g7yB1 ASN 202 H 0.14 0.10 0.10 -0.55 8.53 8.32 2g7yB1 ASN 202 HA 0.06 -0.08 0.34 -0.75 4.76 4.33 2g7yB1 ASN 202 HB2 -0.08 0.21 -0.07 -0.04 2.88 2.90 2g7yB1 ASN 202 HB3 -0.03 0.02 0.24 -0.04 2.79 2.98 2g7yB1 ASN 202 HD21 -0.18 0.04 -0.06 -0.04 7.03 6.80 2g7yB1 ASN 202 HD22 -0.15 0.07 -0.06 -0.04 7.74 7.55 2g7yB1 LYS 203 H 0.14 -0.01 -0.40 -0.55 8.42 7.59 2g7yB1 LYS 203 HA 0.06 0.27 0.75 -0.75 4.32 4.64 2g7yB1 LYS 203 HB2 0.14 -0.06 -0.16 -0.04 1.87 1.74 2g7yB1 LYS 203 HB3 0.16 0.03 0.09 -0.04 1.79 2.02 2g7yB1 LYS 203 HG2 -0.00 0.22 -0.35 -0.04 1.46 1.28 2g7yB1 LYS 203 HG3 -0.02 -0.03 -0.08 -0.04 1.46 1.28 2g7yB1 LYS 203 HD2 -0.08 -0.03 -0.01 -0.04 1.69 1.53 2g7yB1 LYS 203 HD3 -0.02 0.07 0.07 -0.04 1.68 1.76 2g7yB1 LYS 203 HE2 -0.07 0.05 0.00 -0.04 2.99 2.93 2g7yB1 LYS 203 HE3 -0.16 -0.03 -0.01 -0.04 2.99 2.75 2g7yB1 GLY 203 H -0.01 0.50 -0.31 -0.55 8.43 8.07 2g7yB1 GLY 203 HA2 -0.04 0.04 0.30 -0.51 4.01 3.80 2g7yB1 GLY 203 HA3 0.01 0.04 0.39 -0.51 4.01 3.95 2g7yB1 ASN 203 H 0.12 -0.03 -0.10 -0.55 8.53 7.97 2g7yB1 ASN 203 HA 0.11 -0.05 0.24 -0.75 4.76 4.30 2g7yB1 ASN 203 HB2 -0.01 0.09 -0.04 -0.04 2.88 2.88 2g7yB1 ASN 203 HB3 0.01 0.21 -0.06 -0.04 2.79 2.91 2g7yB1 ASN 203 HD21 -0.35 0.00 -0.05 -0.04 7.03 6.60 2g7yB1 ASN 203 HD22 -0.16 0.12 0.01 -0.04 7.74 7.67 2g7yB1 HIS 203 H 0.27 -0.02 -0.32 -0.55 8.41 7.79 2g7yB1 HIS 203 HA 0.06 0.13 0.29 -0.75 4.63 4.35 2g7yB1 HIS 203 HB2 0.17 0.10 0.00 -0.04 3.26 3.49 2g7yB1 HIS 203 HB3 0.19 0.10 0.06 -0.04 3.20 3.51 2g7yB1 HIS 203 HD2 -0.14 0.13 0.00 -0.04 6.97 6.92 2g7yB1 HIS 203 HE1 -0.32 -0.05 -0.01 -0.04 7.75 7.33 2g7yB1 CYS 203 H -0.26 0.23 0.12 -0.55 8.50 8.03 2g7yB1 CYS 203 HA -0.12 0.12 0.44 -0.75 4.58 4.26 2g7yB1 CYS 203 HB2 -0.00 0.20 0.04 -0.04 2.97 3.17 2g7yB1 CYS 203 HB3 -0.01 -0.11 0.29 -0.04 2.97 3.10 2g7yB1 GLY 203 H -0.01 0.50 -0.31 -0.55 8.43 8.07 2g7yB1 GLY 203 HA2 -0.04 0.04 0.30 -0.51 4.01 3.80 2g7yB1 GLY 203 HA3 0.01 0.04 0.39 -0.51 4.01 3.95 2g7yB1 ILE 203 H 0.01 0.37 -0.43 -0.55 8.25 7.65 2g7yB1 ILE 203 HA -0.07 0.24 0.28 -0.75 4.18 3.88 2g7yB1 ILE 203 HB 0.03 0.10 -0.01 -0.04 1.89 1.97 2g7yB1 ILE 203 HG12 -0.56 -0.02 -0.18 -0.04 1.49 0.68 2g7yB1 ILE 203 HG13 -0.17 0.01 -0.04 -0.04 1.21 0.97 2g7yB1 ILE 203 HG23 0.00 -0.01 -0.14 -0.04 0.93 0.75 2g7yB1 ILE 203 HD13 -0.01 -0.00 -0.11 -0.04 0.88 0.71 2g7yB1 ALA 203 H -0.13 0.02 -0.38 -0.55 8.40 7.36 2g7yB1 ALA 203 HA -0.24 0.27 0.72 -0.75 4.34 4.34 2g7yB1 ALA 203 HB3 -0.15 0.00 -0.19 -0.04 1.41 1.03 2g7yB1 SER 204 H -0.20 0.58 -0.37 -0.55 8.46 7.93 2g7yB1 SER 204 HA -1.10 -0.11 0.55 -0.75 4.49 3.08 2g7yB1 SER 204 HB2 -0.02 0.21 0.24 -0.04 3.95 4.33 2g7yB1 SER 204 HB3 -0.31 -0.00 0.07 -0.04 3.93 3.64 2g7yB1 PHE 205 H 0.05 0.14 -0.08 -0.55 8.34 7.89 2g7yB1 PHE 205 HA 0.06 0.33 0.90 -0.75 4.62 5.16 2g7yB1 PHE 205 HB2 0.05 -0.11 0.17 -0.04 3.15 3.21 2g7yB1 PHE 205 HB3 0.07 -0.01 0.08 -0.04 3.06 3.17 2g7yB1 PHE 205 HD2 0.10 -0.00 -0.02 -0.04 7.28 7.32 2g7yB1 PHE 205 HE2 0.12 0.01 0.01 -0.04 7.38 7.48 2g7yB1 PHE 205 HZ 0.06 -0.00 -0.00 -0.04 7.32 7.34 2g7yB1 PRO 206 HA 0.06 0.40 0.88 -0.51 4.44 5.27 2g7yB1 PRO 206 HB2 0.03 -0.04 -0.03 -0.04 2.28 2.20 2g7yB1 PRO 206 HB3 -0.06 0.06 0.05 -0.04 2.02 2.03 2g7yB1 PRO 206 HG2 -0.09 0.04 -0.06 -0.04 2.03 1.88 2g7yB1 PRO 206 HG3 -0.13 -0.03 -0.11 -0.04 2.03 1.72 2g7yB1 PRO 206 HD2 0.01 0.17 -0.00 -0.04 3.68 3.82 2g7yB1 PRO 206 HD3 -0.11 0.14 -0.80 -0.04 3.65 2.84 2g7yB1 SER 207 H 0.14 0.63 0.39 -0.55 8.46 9.07 2g7yB1 SER 207 HA 0.17 0.29 0.81 -0.75 4.49 5.01 2g7yB1 SER 207 HB2 0.28 0.01 -0.01 -0.04 3.95 4.20 2g7yB1 SER 207 HB3 0.20 0.03 -0.17 -0.04 3.93 3.95 2g7yB1 TYR 215 H -0.12 0.49 0.37 -0.55 8.29 8.48 2g7yB1 TYR 215 HA -0.09 0.11 0.83 -0.75 4.56 4.65 2g7yB1 TYR 215 HB2 -0.12 0.22 0.11 -0.04 3.06 3.23 2g7yB1 TYR 215 HB3 -0.04 -0.04 -0.07 -0.04 2.98 2.79 2g7yB1 TYR 215 HD2 -0.05 0.10 -0.17 -0.04 7.15 7.00 2g7yB1 TYR 215 HE2 -0.01 -0.01 -0.12 -0.04 6.85 6.66 2g7yB1 PRO 216 HA -0.37 0.16 0.97 -0.51 4.44 4.69 2g7yB1 PRO 216 HB2 -0.35 0.06 0.09 -0.04 2.28 2.03 2g7yB1 PRO 216 HB3 -1.40 -0.08 0.04 -0.04 2.02 0.54 2g7yB1 PRO 216 HG2 -0.21 0.10 -0.16 -0.04 2.03 1.71 2g7yB1 PRO 216 HG3 -0.39 -0.02 -0.07 -0.04 2.03 1.51 2g7yB1 PRO 216 HD2 -0.12 0.24 0.18 -0.04 3.68 3.95 2g7yB1 PRO 216 HD3 -0.58 0.05 0.13 -0.04 3.65 3.21 2g7yB1 GLU 217 H -0.13 0.46 0.40 -0.55 8.60 8.78 2g7yB1 GLU 217 HA -0.03 0.19 0.70 -0.75 4.29 4.40 2g7yB1 GLU 217 HB2 -0.05 -0.08 -0.05 -0.04 2.09 1.87 2g7yB1 GLU 217 HB3 -0.01 0.08 0.05 -0.04 1.99 2.07 2g7yB1 GLU 217 HG2 0.11 0.16 -0.04 -0.04 2.34 2.53 2g7yB1 GLU 217 HG3 -0.04 -0.09 -0.67 -0.04 2.34 1.50 2g7yB1 ILE 218 H -0.02 0.26 0.06 -0.55 8.25 8.01 2g7yB1 ILE 218 HA -0.02 0.11 0.74 -0.75 4.18 4.26 2g7yB1 ILE 218 HB -0.01 0.07 0.07 -0.04 1.89 1.98 2g7yB1 ILE 218 HG12 -0.00 0.00 -0.05 -0.04 1.49 1.40 2g7yB1 ILE 218 HG13 -0.01 0.39 0.06 -0.04 1.21 1.61 2g7yB1 ILE 218 HG23 0.00 0.00 -0.02 -0.04 0.93 0.88 2g7yB1 ILE 218 HD13 -0.03 -0.07 -0.32 -0.04 0.88 0.42