============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 33 0.840 53.229 -19.461 18.561 -99.200 -91.000 TRP 36 1.040 55.911 -32.896 16.656 -99.200 -91.000 TRP6 36 1.020 57.011 -34.061 14.922 -99.200 -91.000 TYR 37 0.840 48.464 -30.886 13.821 -99.200 -91.000 TYR 50 0.840 49.515 -26.735 23.105 -99.200 -91.000 PHE 63 1.000 51.373 -40.314 21.003 -99.200 -91.000 PHE 72 1.000 61.215 -27.064 16.303 -99.200 -91.000 PHE 84 1.000 52.931 -49.586 15.447 -99.200 -91.000 TYR 87 0.840 52.404 -40.496 14.847 -99.200 -91.000 TYR 88 0.840 50.670 -35.496 7.587 -99.200 -91.000 HIS 90 0.900 50.422 -26.256 12.079 -99.200 -91.000 TYR 92 0.840 51.596 -23.209 16.103 -99.200 -91.000 PHE 99 1.000 49.927 -28.622 8.081 -99.200 -91.000 PHE 117 1.000 47.625 -66.277 -5.923 -99.200 -91.000 PHE 119 1.000 44.363 -62.972 -10.904 -99.200 -91.000 PHE 140 1.000 53.551 -57.430 -0.158 -99.200 -91.000 TYR 141 0.840 56.744 -55.837 7.725 -99.200 -91.000 TRP 149 1.040 53.410 -55.910 -15.127 -99.200 -91.000 TRP6 149 1.020 52.070 -57.841 -15.342 -99.200 -91.000 TYR 174 0.840 52.120 -52.849 4.417 -99.200 -91.000 TYR 187 0.840 46.739 -60.094 -24.123 -99.200 -91.000 HIS 190 0.900 54.511 -58.309 -28.177 -99.200 -91.000 TYR 193 0.840 51.148 -60.932 -22.649 -99.200 -91.000 HIS 199 0.900 58.801 -59.485 0.449 -99.200 -91.000 PHE 210 1.000 48.912 -64.367 -19.328 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2v7nG1 ASP 1 HA 0.01 -0.01 0.06 -0.75 4.63 3.94 2v7nG1 ASP 1 HB2 0.01 -0.01 0.04 -0.04 2.71 2.70 2v7nG1 ASP 1 HB3 0.01 -0.03 0.12 -0.04 2.70 2.75 2v7nG1 ILE 2 H -0.00 0.28 0.03 -0.55 8.25 8.01 2v7nG1 ILE 2 HA 0.00 0.11 0.94 -0.75 4.18 4.48 2v7nG1 ILE 2 HB -0.03 -0.01 0.14 -0.04 1.89 1.95 2v7nG1 ILE 2 HG12 -0.01 0.04 -0.09 -0.04 1.49 1.40 2v7nG1 ILE 2 HG13 -0.02 0.04 -0.10 -0.04 1.21 1.09 2v7nG1 ILE 2 HG23 -0.01 -0.03 -0.13 -0.04 0.93 0.71 2v7nG1 ILE 2 HD13 -0.04 -0.00 -0.07 -0.04 0.88 0.73 2v7nG1 VAL 3 H 0.02 0.19 0.02 -0.55 8.24 7.92 2v7nG1 VAL 3 HA 0.03 0.11 0.57 -0.75 4.13 4.09 2v7nG1 VAL 3 HB 0.03 -0.05 0.10 -0.04 2.12 2.15 2v7nG1 VAL 3 HG13 0.04 0.01 -0.16 -0.04 0.97 0.82 2v7nG1 VAL 3 HG23 0.02 0.03 -0.03 -0.04 0.95 0.93 2v7nG1 LEU 4 H 0.04 0.26 0.16 -0.55 8.37 8.27 2v7nG1 LEU 4 HA 0.03 0.27 0.79 -0.75 4.35 4.68 2v7nG1 LEU 4 HB2 0.04 0.11 -0.32 -0.04 1.64 1.42 2v7nG1 LEU 4 HB3 -0.01 -0.08 -0.21 -0.04 1.64 1.29 2v7nG1 LEU 4 HG -0.03 0.16 -0.27 -0.04 1.64 1.47 2v7nG1 LEU 4 HD13 -0.12 -0.04 -0.31 -0.04 0.93 0.42 2v7nG1 LEU 4 HD23 -0.04 0.02 -0.31 -0.04 0.89 0.51 2v7nG1 THR 5 H 0.06 0.80 0.29 -0.55 8.28 8.89 2v7nG1 THR 5 HA 0.07 0.18 1.19 -0.75 4.39 5.07 2v7nG1 THR 5 HB 0.06 -0.01 0.11 -0.04 4.32 4.43 2v7nG1 THR 5 HG23 0.06 0.01 -0.10 -0.04 1.22 1.16 2v7nG1 GLN 6 H 0.09 0.11 0.20 -0.55 8.47 8.33 2v7nG1 GLN 6 HA 0.16 0.40 0.93 -0.75 4.36 5.09 2v7nG1 GLN 6 HB2 0.12 -0.06 0.08 -0.04 2.15 2.25 2v7nG1 GLN 6 HB3 0.18 0.17 -0.07 -0.04 2.02 2.26 2v7nG1 GLN 6 HG2 0.12 0.13 0.00 -0.04 2.40 2.61 2v7nG1 GLN 6 HG3 0.11 -0.16 0.02 -0.04 2.39 2.32 2v7nG1 GLN 6 HE21 0.34 0.38 0.04 -0.04 6.97 7.70 2v7nG1 GLN 6 HE22 0.41 0.16 -0.08 -0.04 7.69 8.14 2v7nG1 SER 7 H 0.15 0.56 0.33 -0.55 8.46 8.95 2v7nG1 SER 7 HA 0.08 0.02 0.72 -0.75 4.49 4.55 2v7nG1 SER 7 HB2 0.09 -0.02 -0.02 -0.04 3.95 3.96 2v7nG1 SER 7 HB3 0.06 0.03 -0.05 -0.04 3.93 3.94 2v7nG1 PRO 8 HA 0.06 0.08 0.40 -0.51 4.44 4.47 2v7nG1 PRO 8 HB2 0.04 -0.05 0.19 -0.04 2.28 2.42 2v7nG1 PRO 8 HB3 0.04 0.02 0.16 -0.04 2.02 2.20 2v7nG1 PRO 8 HG2 0.05 0.08 -0.30 -0.04 2.03 1.82 2v7nG1 PRO 8 HG3 0.04 0.04 0.09 -0.04 2.03 2.16 2v7nG1 PRO 8 HD2 0.04 0.11 0.36 -0.04 3.68 4.16 2v7nG1 PRO 8 HD3 0.04 0.11 0.15 -0.04 3.65 3.90 2v7nG1 ALA 9 H 0.05 0.09 0.18 -0.55 8.40 8.18 2v7nG1 ALA 9 HA 0.06 0.22 0.55 -0.75 4.34 4.42 2v7nG1 ALA 9 HB3 0.04 -0.00 0.14 -0.04 1.41 1.55 2v7nG1 THR 10 H 0.05 0.11 0.06 -0.55 8.28 7.95 2v7nG1 THR 10 HA 0.08 0.31 0.92 -0.75 4.39 4.95 2v7nG1 THR 10 HB 0.05 -0.08 0.01 -0.04 4.32 4.26 2v7nG1 THR 10 HG23 0.09 0.01 -0.11 -0.04 1.22 1.18 2v7nG1 LEU 11 H 0.10 0.67 0.24 -0.55 8.37 8.83 2v7nG1 LEU 11 HA 0.06 0.10 0.77 -0.75 4.35 4.54 2v7nG1 LEU 11 HB2 0.05 0.03 -0.02 -0.04 1.64 1.66 2v7nG1 LEU 11 HB3 0.07 -0.03 0.05 -0.04 1.64 1.68 2v7nG1 LEU 11 HG 0.02 0.02 -0.03 -0.04 1.64 1.61 2v7nG1 LEU 11 HD13 0.02 0.01 0.08 -0.04 0.93 1.00 2v7nG1 LEU 11 HD23 -0.04 -0.02 -0.07 -0.04 0.89 0.72 2v7nG1 SER 12 H 0.09 0.18 0.06 -0.55 8.46 8.25 2v7nG1 SER 12 HA 0.18 0.32 0.88 -0.75 4.49 5.11 2v7nG1 SER 12 HB2 0.12 -0.02 0.14 -0.04 3.95 4.15 2v7nG1 SER 12 HB3 0.22 0.02 -0.04 -0.04 3.93 4.09 2v7nG1 LEU 13 H 0.21 0.73 0.35 -0.55 8.37 9.10 2v7nG1 LEU 13 HA 0.09 0.13 0.88 -0.75 4.35 4.70 2v7nG1 LEU 13 HB2 0.23 0.01 -0.20 -0.04 1.64 1.64 2v7nG1 LEU 13 HB3 0.09 0.02 -0.04 -0.04 1.64 1.67 2v7nG1 LEU 13 HG 0.11 -0.15 -0.72 -0.04 1.64 0.84 2v7nG1 LEU 13 HD13 -0.01 0.02 -0.19 -0.04 0.93 0.71 2v7nG1 LEU 13 HD23 0.04 0.09 -0.08 -0.04 0.89 0.90 2v7nG1 SER 14 H 0.08 0.14 0.15 -0.55 8.46 8.29 2v7nG1 SER 14 HA 0.03 0.20 0.91 -0.75 4.49 4.88 2v7nG1 SER 14 HB2 0.03 0.03 -0.01 -0.04 3.95 3.97 2v7nG1 SER 14 HB3 0.01 0.07 0.11 -0.04 3.93 4.08 2v7nG1 PRO 15 HA 0.16 0.08 0.32 -0.51 4.44 4.49 2v7nG1 PRO 15 HB2 0.06 0.02 -0.02 -0.04 2.28 2.29 2v7nG1 PRO 15 HB3 0.12 -0.01 0.01 -0.04 2.02 2.10 2v7nG1 PRO 15 HG2 0.04 0.05 0.05 -0.04 2.03 2.13 2v7nG1 PRO 15 HG3 0.19 0.02 -0.02 -0.04 2.03 2.18 2v7nG1 PRO 15 HD2 0.01 0.11 0.20 -0.04 3.68 3.97 2v7nG1 PRO 15 HD3 -0.02 0.17 0.21 -0.04 3.65 3.97 2v7nG1 GLY 16 H 0.01 0.73 0.21 -0.55 8.43 8.83 2v7nG1 GLY 16 HA2 -0.01 -0.02 0.32 -0.51 4.01 3.80 2v7nG1 GLY 16 HA3 0.00 0.10 0.58 -0.51 4.01 4.19 2v7nG1 GLU 17 H 0.02 0.36 -0.32 -0.55 8.60 8.11 2v7nG1 GLU 17 HA -0.02 0.12 0.70 -0.75 4.29 4.34 2v7nG1 GLU 17 HB2 0.04 0.29 0.11 -0.04 2.09 2.48 2v7nG1 GLU 17 HB3 0.00 0.05 0.01 -0.04 1.99 2.01 2v7nG1 GLU 17 HG2 0.01 0.01 -0.02 -0.04 2.34 2.29 2v7nG1 GLU 17 HG3 0.03 0.08 -0.07 -0.04 2.34 2.34 2v7nG1 ARG 18 H -0.04 0.08 0.18 -0.55 8.46 8.13 2v7nG1 ARG 18 HA -0.10 0.27 0.55 -0.75 4.34 4.30 2v7nG1 ARG 18 HB2 -0.06 0.13 0.14 -0.04 1.90 2.07 2v7nG1 ARG 18 HB3 -0.05 -0.11 0.13 -0.04 1.80 1.73 2v7nG1 ARG 18 HG2 -0.08 -0.07 -0.47 -0.04 1.67 1.01 2v7nG1 ARG 18 HG3 -0.10 0.06 -0.07 -0.04 1.67 1.52 2v7nG1 ARG 18 HD2 -0.05 -0.02 -0.02 -0.04 3.22 3.10 2v7nG1 ARG 18 HD3 -0.05 -0.06 -0.11 -0.04 3.22 2.95 2v7nG1 ALA 19 H -0.16 0.88 0.29 -0.55 8.40 8.86 2v7nG1 ALA 19 HA -0.09 0.18 0.98 -0.75 4.34 4.66 2v7nG1 ALA 19 HB3 -0.19 -0.01 -0.04 -0.04 1.41 1.12 2v7nG1 THR 20 H -0.08 0.23 0.08 -0.55 8.28 7.96 2v7nG1 THR 20 HA -0.15 0.22 1.05 -0.75 4.39 4.76 2v7nG1 THR 20 HB -0.04 -0.02 0.10 -0.04 4.32 4.31 2v7nG1 THR 20 HG23 -0.05 -0.00 -0.20 -0.04 1.22 0.94 2v7nG1 LEU 21 H -0.23 1.12 0.37 -0.55 8.37 9.09 2v7nG1 LEU 21 HA -0.01 0.25 1.00 -0.75 4.35 4.83 2v7nG1 LEU 21 HB2 -0.46 -0.04 0.13 -0.04 1.64 1.22 2v7nG1 LEU 21 HB3 0.05 0.02 -0.04 -0.04 1.64 1.63 2v7nG1 LEU 21 HG -0.05 0.06 -0.13 -0.04 1.64 1.49 2v7nG1 LEU 21 HD13 -0.29 -0.05 -0.35 -0.04 0.93 0.21 2v7nG1 LEU 21 HD23 -0.13 -0.00 -0.10 -0.04 0.89 0.62 2v7nG1 SER 22 H 0.13 0.77 0.41 -0.55 8.46 9.23 2v7nG1 SER 22 HA 0.24 0.27 1.07 -0.75 4.49 5.32 2v7nG1 SER 22 HB2 0.11 0.06 0.19 -0.04 3.95 4.27 2v7nG1 SER 22 HB3 0.14 -0.03 -0.02 -0.04 3.93 3.98 2v7nG1 CYS 23 H 0.39 0.71 0.29 -0.55 8.50 9.34 2v7nG1 CYS 23 HA 0.16 0.19 0.60 -0.75 4.58 4.78 2v7nG1 CYS 23 HB2 -0.12 0.01 -0.14 -0.04 2.97 2.68 2v7nG1 CYS 23 HB3 0.11 -0.01 -0.00 -0.04 2.97 3.02 2v7nG1 ARG 24 H 0.11 0.68 0.27 -0.55 8.46 8.97 2v7nG1 ARG 24 HA 0.15 0.34 1.33 -0.75 4.34 5.40 2v7nG1 ARG 24 HB2 0.08 -0.03 0.06 -0.04 1.90 1.97 2v7nG1 ARG 24 HB3 0.06 -0.03 0.04 -0.04 1.80 1.83 2v7nG1 ARG 24 HG2 0.05 0.37 0.20 -0.04 1.67 2.25 2v7nG1 ARG 24 HG3 0.05 -0.10 0.04 -0.04 1.67 1.62 2v7nG1 ARG 24 HD2 0.04 -0.04 -0.05 -0.04 3.22 3.13 2v7nG1 ARG 24 HD3 0.03 0.09 -0.06 -0.04 3.22 3.23 2v7nG1 ALA 25 H 0.14 0.78 0.36 -0.55 8.40 9.13 2v7nG1 ALA 25 HA 0.06 0.29 0.81 -0.75 4.34 4.74 2v7nG1 ALA 25 HB3 0.13 -0.03 0.03 -0.04 1.41 1.49 2v7nG1 SER 26 H 0.03 0.23 0.21 -0.55 8.46 8.38 2v7nG1 SER 26 HA 0.03 0.12 0.54 -0.75 4.49 4.43 2v7nG1 SER 26 HB2 0.02 -0.00 0.13 -0.04 3.95 4.06 2v7nG1 SER 26 HB3 0.02 0.03 0.11 -0.04 3.93 4.06 2v7nG1 GLN 27 H 0.03 0.19 -0.10 -0.55 8.47 8.04 2v7nG1 GLN 27 HA 0.01 0.13 0.60 -0.75 4.36 4.35 2v7nG1 GLN 27 HB2 0.00 0.00 0.04 -0.04 2.15 2.15 2v7nG1 GLN 27 HB3 0.00 0.08 0.04 -0.04 2.02 2.10 2v7nG1 GLN 27 HG2 0.01 -0.07 -0.14 -0.04 2.40 2.16 2v7nG1 GLN 27 HG3 0.00 -0.01 -0.06 -0.04 2.39 2.28 2v7nG1 GLN 27 HE21 -0.01 -0.01 -0.05 -0.04 6.97 6.86 2v7nG1 GLN 27 HE22 -0.01 0.04 -0.06 -0.04 7.69 7.62 2v7nG1 SER 30 H 0.01 0.09 0.05 -0.55 8.46 8.06 2v7nG1 SER 30 HA 0.04 0.08 0.11 -0.75 4.49 3.96 2v7nG1 SER 30 HB2 -0.00 0.02 0.09 -0.04 3.95 4.02 2v7nG1 SER 30 HB3 -0.00 -0.00 0.00 -0.04 3.93 3.89 2v7nG1 VAL 31 H 0.13 0.41 0.27 -0.55 8.24 8.50 2v7nG1 VAL 31 HA -0.02 0.15 0.81 -0.75 4.13 4.33 2v7nG1 VAL 31 HB 0.26 -0.08 0.12 -0.04 2.12 2.37 2v7nG1 VAL 31 HG13 -0.20 -0.05 -0.23 -0.04 0.97 0.46 2v7nG1 VAL 31 HG23 0.07 0.06 -0.05 -0.04 0.95 0.99 2v7nG1 SER 32 H -0.07 0.25 0.11 -0.55 8.46 8.20 2v7nG1 SER 32 HA -0.06 -0.05 0.25 -0.75 4.49 3.88 2v7nG1 SER 32 HB2 -0.08 0.03 0.11 -0.04 3.95 3.97 2v7nG1 SER 32 HB3 -0.14 0.16 0.21 -0.04 3.93 4.11 2v7nG1 SER 33 H -0.07 0.11 0.20 -0.55 8.46 8.16 2v7nG1 SER 33 HA -0.03 0.02 0.34 -0.75 4.49 4.07 2v7nG1 SER 33 HB2 -0.67 0.18 -0.03 -0.04 3.95 3.40 2v7nG1 SER 33 HB3 -0.11 0.02 0.19 -0.04 3.93 4.00 2v7nG1 ASN 39 H 0.04 0.43 -0.14 -0.55 8.53 8.31 2v7nG1 ASN 39 HA 0.16 -0.01 0.24 -0.75 4.76 4.39 2v7nG1 ASN 39 HB2 0.12 0.24 0.04 -0.04 2.88 3.23 2v7nG1 ASN 39 HB3 0.14 0.01 0.04 -0.04 2.79 2.94 2v7nG1 ASN 39 HD21 0.06 -0.05 -0.04 -0.04 7.03 6.97 2v7nG1 ASN 39 HD22 0.08 0.09 -0.04 -0.04 7.74 7.83 2v7nG1 TYR 40 H -0.02 0.30 -0.48 -0.55 8.29 7.54 2v7nG1 TYR 40 HA -0.48 0.08 0.40 -0.75 4.56 3.80 2v7nG1 TYR 40 HB2 -0.39 0.19 0.06 -0.04 3.06 2.88 2v7nG1 TYR 40 HB3 -1.15 -0.20 -0.11 -0.04 2.98 1.47 2v7nG1 TYR 40 HD2 -0.10 0.21 -0.19 -0.04 7.15 7.03 2v7nG1 TYR 40 HE2 0.08 0.01 0.00 -0.04 6.85 6.90 2v7nG1 LEU 41 H -0.21 0.52 0.22 -0.55 8.37 8.35 2v7nG1 LEU 41 HA -0.40 0.31 1.15 -0.75 4.35 4.65 2v7nG1 LEU 41 HB2 -0.79 -0.08 -0.33 -0.04 1.64 0.40 2v7nG1 LEU 41 HB3 -0.54 -0.00 -0.10 -0.04 1.64 0.96 2v7nG1 LEU 41 HG -0.53 0.10 -0.04 -0.04 1.64 1.14 2v7nG1 LEU 41 HD13 -0.76 -0.03 -0.24 -0.04 0.93 -0.13 2v7nG1 LEU 41 HD23 -0.72 -0.01 -0.26 -0.04 0.89 -0.14 2v7nG1 ALA 42 H -0.12 0.94 0.43 -0.55 8.40 9.11 2v7nG1 ALA 42 HA 0.05 0.24 1.07 -0.75 4.34 4.95 2v7nG1 ALA 42 HB3 0.06 -0.01 0.06 -0.04 1.41 1.48 2v7nG1 TRP 43 H 0.07 0.51 0.35 -0.55 7.97 8.35 2v7nG1 TRP 43 HA 0.11 0.34 0.99 -0.75 4.62 5.31 2v7nG1 TRP 43 HB2 0.00 -0.10 0.09 -0.04 3.23 3.18 2v7nG1 TRP 43 HB3 0.12 0.06 -0.05 -0.04 3.23 3.32 2v7nG1 TRP 43 HD1 0.01 0.01 -0.26 -0.04 7.22 6.94 2v7nG1 TRP 43 HE1 0.07 0.06 -0.25 -0.04 10.20 10.05 2v7nG1 TRP 43 HE3 0.19 0.06 -0.30 -0.04 7.59 7.51 2v7nG1 TRP 43 HZ2 0.12 -0.01 -0.45 -0.04 7.44 7.07 2v7nG1 TRP 43 HZ3 0.12 0.03 -0.28 -0.04 7.13 6.96 2v7nG1 TRP 43 HH2 0.09 0.03 -0.64 -0.04 7.19 6.62 2v7nG1 TYR 44 H 0.54 0.73 0.36 -0.55 8.29 9.38 2v7nG1 TYR 44 HA 0.18 0.23 1.00 -0.75 4.56 5.22 2v7nG1 TYR 44 HB2 0.27 -0.06 -0.04 -0.04 3.06 3.19 2v7nG1 TYR 44 HB3 0.12 -0.01 -0.05 -0.04 2.98 3.01 2v7nG1 TYR 44 HD2 0.17 0.04 -0.37 -0.04 7.15 6.94 2v7nG1 TYR 44 HE2 0.10 -0.01 -0.20 -0.04 6.85 6.70 2v7nG1 GLN 45 H 0.14 0.60 0.32 -0.55 8.47 8.98 2v7nG1 GLN 45 HA -0.34 0.29 1.00 -0.75 4.36 4.55 2v7nG1 GLN 45 HB2 -0.09 -0.03 0.00 -0.04 2.15 1.99 2v7nG1 GLN 45 HB3 -0.06 0.00 0.12 -0.04 2.02 2.04 2v7nG1 GLN 45 HG2 -0.18 -0.03 -0.28 -0.04 2.40 1.87 2v7nG1 GLN 45 HG3 -0.60 0.05 -0.08 -0.04 2.39 1.72 2v7nG1 GLN 45 HE21 0.17 -0.03 -0.06 -0.04 6.97 7.01 2v7nG1 GLN 45 HE22 0.32 -0.00 -0.06 -0.04 7.69 7.90 2v7nG1 GLN 46 H -0.16 0.71 0.26 -0.55 8.47 8.73 2v7nG1 GLN 46 HA 0.01 0.20 0.71 -0.75 4.36 4.52 2v7nG1 GLN 46 HB2 0.16 -0.08 -0.23 -0.04 2.15 1.96 2v7nG1 GLN 46 HB3 0.16 -0.07 -0.03 -0.04 2.02 2.04 2v7nG1 GLN 46 HG2 0.04 0.14 -0.23 -0.04 2.40 2.30 2v7nG1 GLN 46 HG3 0.02 0.05 -0.34 -0.04 2.39 2.08 2v7nG1 GLN 46 HE21 -0.06 -0.12 -0.04 -0.04 6.97 6.71 2v7nG1 GLN 46 HE22 -0.03 0.45 0.12 -0.04 7.69 8.19 2v7nG1 LYS 47 H -0.00 0.20 0.04 -0.55 8.42 8.11 2v7nG1 LYS 47 HA 0.01 0.15 0.90 -0.75 4.32 4.63 2v7nG1 LYS 47 HB2 0.01 -0.04 0.04 -0.04 1.87 1.85 2v7nG1 LYS 47 HB3 0.02 0.06 0.09 -0.04 1.79 1.92 2v7nG1 LYS 47 HG2 0.02 0.14 0.05 -0.04 1.46 1.64 2v7nG1 LYS 47 HG3 -0.01 -0.10 -0.20 -0.04 1.46 1.10 2v7nG1 LYS 47 HD2 0.02 -0.06 -0.02 -0.04 1.69 1.59 2v7nG1 LYS 47 HD3 0.03 -0.02 0.01 -0.04 1.68 1.67 2v7nG1 LYS 47 HE2 0.06 0.15 -0.09 -0.04 2.99 3.07 2v7nG1 LYS 47 HE3 0.02 -0.07 -0.07 -0.04 2.99 2.82 2v7nG1 PRO 48 HA 0.03 0.01 0.40 -0.51 4.44 4.37 2v7nG1 PRO 48 HB2 0.02 0.02 0.10 -0.04 2.28 2.37 2v7nG1 PRO 48 HB3 0.03 0.01 0.09 -0.04 2.02 2.12 2v7nG1 PRO 48 HG2 0.04 0.02 0.11 -0.04 2.03 2.16 2v7nG1 PRO 48 HG3 0.05 0.04 0.10 -0.04 2.03 2.18 2v7nG1 PRO 48 HD2 0.03 0.12 0.22 -0.04 3.68 4.01 2v7nG1 PRO 48 HD3 0.04 0.17 0.29 -0.04 3.65 4.10 2v7nG1 GLY 49 H 0.01 0.13 0.18 -0.55 8.43 8.20 2v7nG1 GLY 49 HA2 0.00 -0.03 0.36 -0.51 4.01 3.84 2v7nG1 GLY 49 HA3 0.00 0.07 0.50 -0.51 4.01 4.07 2v7nG1 GLN 50 H 0.00 0.51 -0.31 -0.55 8.47 8.13 2v7nG1 GLN 50 HA -0.01 0.20 1.06 -0.75 4.36 4.86 2v7nG1 GLN 50 HB2 0.00 -0.00 -0.04 -0.04 2.15 2.07 2v7nG1 GLN 50 HB3 -0.00 -0.07 0.12 -0.04 2.02 2.02 2v7nG1 GLN 50 HG2 -0.00 -0.03 -0.08 -0.04 2.40 2.25 2v7nG1 GLN 50 HG3 0.00 0.03 -0.32 -0.04 2.39 2.06 2v7nG1 GLN 50 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.90 2v7nG1 GLN 50 HE22 0.00 0.02 -0.02 -0.04 7.69 7.65 2v7nG1 ALA 51 H -0.02 0.06 0.15 -0.55 8.40 8.04 2v7nG1 ALA 51 HA -0.05 0.09 0.50 -0.75 4.34 4.13 2v7nG1 ALA 51 HB3 -0.04 -0.00 0.11 -0.04 1.41 1.43 2v7nG1 PRO 52 HA 0.04 0.24 0.53 -0.51 4.44 4.74 2v7nG1 PRO 52 HB2 -0.15 -0.03 -0.10 -0.04 2.28 1.96 2v7nG1 PRO 52 HB3 -0.06 -0.01 -0.04 -0.04 2.02 1.87 2v7nG1 PRO 52 HG2 -0.31 0.02 0.01 -0.04 2.03 1.71 2v7nG1 PRO 52 HG3 -0.18 0.06 0.01 -0.04 2.03 1.88 2v7nG1 PRO 52 HD2 -0.12 0.07 0.17 -0.04 3.68 3.76 2v7nG1 PRO 52 HD3 -0.11 0.12 0.20 -0.04 3.65 3.83 2v7nG1 ARG 53 H 0.13 0.48 0.33 -0.55 8.46 8.85 2v7nG1 ARG 53 HA 0.08 0.08 0.78 -0.75 4.34 4.53 2v7nG1 ARG 53 HB2 0.02 0.06 -0.03 -0.04 1.90 1.91 2v7nG1 ARG 53 HB3 0.02 -0.00 0.14 -0.04 1.80 1.91 2v7nG1 ARG 53 HG2 -0.01 0.16 -0.33 -0.04 1.67 1.46 2v7nG1 ARG 53 HG3 0.01 -0.05 0.04 -0.04 1.67 1.63 2v7nG1 ARG 53 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.11 2v7nG1 ARG 53 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.11 2v7nG1 LEU 54 H 0.11 0.12 0.10 -0.55 8.37 8.16 2v7nG1 LEU 54 HA -0.12 0.08 0.51 -0.75 4.35 4.07 2v7nG1 LEU 54 HB2 0.09 -0.02 0.08 -0.04 1.64 1.75 2v7nG1 LEU 54 HB3 0.01 0.00 0.07 -0.04 1.64 1.69 2v7nG1 LEU 54 HG 0.01 -0.00 -0.37 -0.04 1.64 1.24 2v7nG1 LEU 54 HD13 -0.23 0.03 -0.03 -0.04 0.93 0.66 2v7nG1 LEU 54 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.66 2v7nG1 LEU 55 H -0.10 0.58 0.44 -0.55 8.37 8.75 2v7nG1 LEU 55 HA -0.11 0.23 1.08 -0.75 4.35 4.80 2v7nG1 LEU 55 HB2 0.06 -0.03 0.02 -0.04 1.64 1.65 2v7nG1 LEU 55 HB3 -0.17 -0.01 -0.06 -0.04 1.64 1.36 2v7nG1 LEU 55 HG -0.00 0.00 -0.16 -0.04 1.64 1.44 2v7nG1 LEU 55 HD13 0.24 -0.01 -0.22 -0.04 0.93 0.89 2v7nG1 LEU 55 HD23 -0.56 0.03 -0.09 -0.04 0.89 0.23 2v7nG1 ILE 56 H 0.06 0.27 0.33 -0.55 8.25 8.36 2v7nG1 ILE 56 HA 0.05 0.36 0.98 -0.75 4.18 4.82 2v7nG1 ILE 56 HB 0.35 -0.16 -0.02 -0.04 1.89 2.02 2v7nG1 ILE 56 HG12 0.06 -0.12 -0.41 -0.04 1.49 0.98 2v7nG1 ILE 56 HG13 -0.00 0.02 -0.31 -0.04 1.21 0.87 2v7nG1 ILE 56 HG23 0.11 0.05 -0.44 -0.04 0.93 0.61 2v7nG1 ILE 56 HD13 0.03 0.06 -0.32 -0.04 0.88 0.62 2v7nG1 TYR 57 H -0.21 0.71 0.25 -0.55 8.29 8.49 2v7nG1 TYR 57 HA 0.04 0.18 0.80 -0.75 4.56 4.82 2v7nG1 TYR 57 HB2 -0.01 -0.06 0.09 -0.04 3.06 3.04 2v7nG1 TYR 57 HB3 -0.06 0.02 -0.07 -0.04 2.98 2.82 2v7nG1 TYR 57 HD2 -0.02 -0.03 -0.22 -0.04 7.15 6.84 2v7nG1 TYR 57 HE2 -0.01 0.03 -0.18 -0.04 6.85 6.65 2v7nG1 ASP 58 H 0.27 0.12 0.16 -0.55 8.40 8.40 2v7nG1 ASP 58 HA 0.05 0.26 0.55 -0.75 4.63 4.73 2v7nG1 ASP 58 HB2 -0.10 0.02 0.12 -0.04 2.71 2.72 2v7nG1 ASP 58 HB3 0.07 0.06 0.26 -0.04 2.70 3.04 2v7nG1 SER 67 H 0.03 0.44 -0.10 -0.55 8.46 8.29 2v7nG1 SER 67 HA 0.13 -0.04 0.20 -0.75 4.49 4.03 2v7nG1 SER 67 HB2 0.21 -0.12 -0.14 -0.04 3.95 3.85 2v7nG1 SER 67 HB3 0.14 0.17 0.10 -0.04 3.93 4.30 2v7nG1 SER 68 H -0.01 0.43 -0.44 -0.55 8.46 7.89 2v7nG1 SER 68 HA 0.04 0.11 0.89 -0.75 4.49 4.77 2v7nG1 SER 68 HB2 0.01 -0.00 0.17 -0.04 3.95 4.09 2v7nG1 SER 68 HB3 0.06 -0.05 -0.23 -0.04 3.93 3.67 2v7nG1 SER 69 H -0.24 0.55 0.17 -0.55 8.46 8.39 2v7nG1 SER 69 HA -0.16 0.17 1.01 -0.75 4.49 4.76 2v7nG1 SER 69 HB2 -1.41 -0.08 -0.01 -0.04 3.95 2.42 2v7nG1 SER 69 HB3 -0.33 0.01 0.08 -0.04 3.93 3.65 2v7nG1 ARG 70 H -0.07 0.12 0.19 -0.55 8.46 8.16 2v7nG1 ARG 70 HA 0.00 0.17 0.72 -0.75 4.34 4.48 2v7nG1 ARG 70 HB2 0.00 -0.02 0.16 -0.04 1.90 2.00 2v7nG1 ARG 70 HB3 0.02 -0.08 0.09 -0.04 1.80 1.79 2v7nG1 ARG 70 HG2 0.04 0.08 0.01 -0.04 1.67 1.76 2v7nG1 ARG 70 HG3 0.04 0.00 0.08 -0.04 1.67 1.75 2v7nG1 ARG 70 HD2 0.08 0.29 -0.23 -0.04 3.22 3.32 2v7nG1 ARG 70 HD3 0.07 0.33 0.10 -0.04 3.22 3.69 2v7nG1 ALA 71 H 0.06 0.74 0.24 -0.55 8.40 8.89 2v7nG1 ALA 71 HA 0.24 -0.00 0.44 -0.75 4.34 4.26 2v7nG1 ALA 71 HB3 0.06 -0.01 -0.08 -0.04 1.41 1.34 2v7nG1 THR 72 H 0.06 0.05 0.13 -0.55 8.28 7.96 2v7nG1 THR 72 HA 0.04 0.05 0.40 -0.75 4.39 4.13 2v7nG1 THR 72 HB 0.01 -0.01 0.07 -0.04 4.32 4.36 2v7nG1 THR 72 HG23 0.02 0.01 -0.07 -0.04 1.22 1.13 2v7nG1 GLY 73 H 0.02 0.11 0.14 -0.55 8.43 8.16 2v7nG1 GLY 73 HA2 0.02 -0.04 0.32 -0.51 4.01 3.79 2v7nG1 GLY 73 HA3 0.01 0.05 0.32 -0.51 4.01 3.89 2v7nG1 VAL 74 H 0.01 0.44 -0.68 -0.55 8.24 7.46 2v7nG1 VAL 74 HA -0.02 0.07 0.64 -0.75 4.13 4.07 2v7nG1 VAL 74 HB 0.00 0.15 0.14 -0.04 2.12 2.37 2v7nG1 VAL 74 HG13 -0.09 0.03 -0.02 -0.04 0.97 0.85 2v7nG1 VAL 74 HG23 -0.10 -0.01 0.06 -0.04 0.95 0.87 2v7nG1 PRO 75 HA 0.08 0.03 0.44 -0.51 4.44 4.48 2v7nG1 PRO 75 HB2 0.21 -0.18 -0.00 -0.04 2.28 2.26 2v7nG1 PRO 75 HB3 0.10 0.02 0.14 -0.04 2.02 2.25 2v7nG1 PRO 75 HG2 0.48 0.01 0.08 -0.04 2.03 2.56 2v7nG1 PRO 75 HG3 0.16 0.05 0.10 -0.04 2.03 2.30 2v7nG1 PRO 75 HD2 0.02 0.09 0.27 -0.04 3.68 4.03 2v7nG1 PRO 75 HD3 0.06 0.30 0.28 -0.04 3.65 4.26 2v7nG1 ALA 76 H 0.05 0.10 0.17 -0.55 8.40 8.17 2v7nG1 ALA 76 HA 0.04 0.21 0.44 -0.75 4.34 4.28 2v7nG1 ALA 76 HB3 0.01 -0.00 0.10 -0.04 1.41 1.47 2v7nG1 ARG 77 H 0.02 -0.01 -0.41 -0.55 8.46 7.51 2v7nG1 ARG 77 HA -0.09 0.10 0.44 -0.75 4.34 4.04 2v7nG1 ARG 77 HB2 -0.22 -0.17 0.07 -0.04 1.90 1.54 2v7nG1 ARG 77 HB3 -0.10 0.01 0.03 -0.04 1.80 1.70 2v7nG1 ARG 77 HG2 -0.06 -0.07 -0.03 -0.04 1.67 1.48 2v7nG1 ARG 77 HG3 -0.63 0.05 -0.20 -0.04 1.67 0.85 2v7nG1 ARG 77 HD2 -0.25 0.24 -0.00 -0.04 3.22 3.16 2v7nG1 ARG 77 HD3 -0.10 -0.01 -0.00 -0.04 3.22 3.06 2v7nG1 PHE 78 H 0.18 0.25 -0.28 -0.55 8.34 7.94 2v7nG1 PHE 78 HA -0.13 0.20 0.86 -0.75 4.62 4.79 2v7nG1 PHE 78 HB2 -0.03 0.13 0.08 -0.04 3.15 3.29 2v7nG1 PHE 78 HB3 -0.07 -0.03 -0.10 -0.04 3.06 2.82 2v7nG1 PHE 78 HD2 -0.07 0.03 -0.06 -0.04 7.28 7.15 2v7nG1 PHE 78 HE2 0.07 -0.00 -0.06 -0.04 7.38 7.34 2v7nG1 PHE 78 HZ 0.08 0.01 -0.06 -0.04 7.32 7.31 2v7nG1 SER 79 H -0.09 0.61 0.34 -0.55 8.46 8.78 2v7nG1 SER 79 HA 0.00 0.16 0.65 -0.75 4.49 4.54 2v7nG1 SER 79 HB2 -0.02 0.01 0.12 -0.04 3.95 4.01 2v7nG1 SER 79 HB3 -0.02 0.10 -0.20 -0.04 3.93 3.77 2v7nG1 GLY 80 H -0.00 0.23 0.21 -0.55 8.43 8.32 2v7nG1 GLY 80 HA2 -0.07 0.23 1.09 -0.51 4.01 4.76 2v7nG1 GLY 80 HA3 0.08 0.15 0.41 -0.51 4.01 4.14 2v7nG1 SER 81 H 0.15 0.47 0.43 -0.55 8.46 8.97 2v7nG1 SER 81 HA 0.09 0.15 0.56 -0.75 4.49 4.54 2v7nG1 SER 81 HB2 0.03 -0.13 0.15 -0.04 3.95 3.97 2v7nG1 SER 81 HB3 0.02 0.10 -0.12 -0.04 3.93 3.89 2v7nG1 GLY 82 H 0.04 0.08 0.13 -0.55 8.43 8.13 2v7nG1 GLY 82 HA2 -0.09 -0.03 0.46 -0.51 4.01 3.84 2v7nG1 GLY 82 HA3 -0.08 0.28 1.01 -0.51 4.01 4.72 2v7nG1 SER 83 H -0.31 0.33 0.28 -0.55 8.46 8.21 2v7nG1 SER 83 HA -0.03 0.12 0.31 -0.75 4.49 4.13 2v7nG1 SER 83 HB2 0.03 -0.08 0.11 -0.04 3.95 3.97 2v7nG1 SER 83 HB3 0.05 0.20 -0.01 -0.04 3.93 4.13 2v7nG1 GLY 84 H 0.05 0.18 0.11 -0.55 8.43 8.23 2v7nG1 GLY 84 HA2 -0.01 -0.01 0.40 -0.51 4.01 3.88 2v7nG1 GLY 84 HA3 -0.10 0.17 0.87 -0.51 4.01 4.45 2v7nG1 THR 87 H -0.17 0.20 0.13 -0.55 8.28 7.89 2v7nG1 THR 87 HA 0.13 0.22 0.88 -0.75 4.39 4.86 2v7nG1 THR 87 HB 0.03 0.37 0.11 -0.04 4.32 4.79 2v7nG1 THR 87 HG23 0.01 -0.01 -0.53 -0.04 1.22 0.66 2v7nG1 ASP 88 H -0.44 0.13 -0.03 -0.55 8.40 7.52 2v7nG1 ASP 88 HA -0.02 0.24 1.05 -0.75 4.63 5.14 2v7nG1 ASP 88 HB2 -0.13 -0.09 0.12 -0.04 2.71 2.57 2v7nG1 ASP 88 HB3 -0.11 0.02 0.06 -0.04 2.70 2.63 2v7nG1 PHE 89 H 0.24 0.68 0.33 -0.55 8.34 9.03 2v7nG1 PHE 89 HA 0.13 0.25 1.15 -0.75 4.62 5.40 2v7nG1 PHE 89 HB2 0.16 -0.03 -0.01 -0.04 3.15 3.23 2v7nG1 PHE 89 HB3 0.30 0.11 0.01 -0.04 3.06 3.44 2v7nG1 PHE 89 HD2 0.06 0.20 -0.31 -0.04 7.28 7.19 2v7nG1 PHE 89 HE2 -0.00 0.07 -0.29 -0.04 7.38 7.11 2v7nG1 PHE 89 HZ -0.02 -0.07 -0.18 -0.04 7.32 7.00 2v7nG1 THR 90 H 0.32 0.57 0.31 -0.55 8.28 8.94 2v7nG1 THR 90 HA 0.24 0.34 1.14 -0.75 4.39 5.36 2v7nG1 THR 90 HB 0.05 -0.08 -0.04 -0.04 4.32 4.20 2v7nG1 THR 90 HG23 -0.05 0.00 -0.28 -0.04 1.22 0.86 2v7nG1 LEU 91 H -0.44 0.75 0.31 -0.55 8.37 8.45 2v7nG1 LEU 91 HA -0.64 0.28 1.08 -0.75 4.35 4.31 2v7nG1 LEU 91 HB2 -3.28 -0.03 -0.05 -0.04 1.64 -1.77 2v7nG1 LEU 91 HB3 -1.59 -0.06 0.07 -0.04 1.64 0.03 2v7nG1 LEU 91 HG -0.55 -0.00 -0.41 -0.04 1.64 0.64 2v7nG1 LEU 91 HD13 -0.33 0.04 -0.13 -0.04 0.93 0.47 2v7nG1 LEU 91 HD23 -0.34 -0.02 -0.16 -0.04 0.89 0.33 2v7nG1 THR 92 H -0.26 0.74 0.31 -0.55 8.28 8.53 2v7nG1 THR 92 HA -0.22 0.25 1.10 -0.75 4.39 4.77 2v7nG1 THR 92 HB -0.13 0.02 0.11 -0.04 4.32 4.28 2v7nG1 THR 92 HG23 -0.12 -0.01 -0.21 -0.04 1.22 0.84 2v7nG1 ILE 93 H -0.27 0.81 0.25 -0.55 8.25 8.50 2v7nG1 ILE 93 HA -0.47 0.25 0.78 -0.75 4.18 4.00 2v7nG1 ILE 93 HB -0.36 -0.07 0.12 -0.04 1.89 1.54 2v7nG1 ILE 93 HG12 -0.61 0.03 -0.16 -0.04 1.49 0.72 2v7nG1 ILE 93 HG13 -0.45 -0.01 -0.28 -0.04 1.21 0.43 2v7nG1 ILE 93 HG23 -0.69 -0.02 -0.21 -0.04 0.93 -0.03 2v7nG1 ILE 93 HD13 -0.59 -0.00 -0.10 -0.04 0.88 0.14 2v7nG1 SER 94 H -0.24 0.67 0.15 -0.55 8.46 8.49 2v7nG1 SER 94 HA -0.13 0.01 0.16 -0.75 4.49 3.78 2v7nG1 SER 94 HB2 -0.08 -0.03 0.03 -0.04 3.95 3.82 2v7nG1 SER 94 HB3 -0.10 0.06 0.06 -0.04 3.93 3.90 2v7nG1 SER 95 H -0.19 0.08 -0.34 -0.55 8.46 7.45 2v7nG1 SER 95 HA -0.09 0.26 0.05 -0.75 4.49 3.95 2v7nG1 SER 95 HB2 -0.06 0.16 -0.10 -0.04 3.95 3.90 2v7nG1 SER 95 HB3 -0.08 -0.12 -0.10 -0.04 3.93 3.59 2v7nG1 LEU 96 H -0.11 0.72 0.08 -0.55 8.37 8.52 2v7nG1 LEU 96 HA -0.26 0.01 0.36 -0.75 4.35 3.71 2v7nG1 LEU 96 HB2 -0.04 -0.05 0.02 -0.04 1.64 1.53 2v7nG1 LEU 96 HB3 -0.37 0.05 -0.20 -0.04 1.64 1.08 2v7nG1 LEU 96 HG -0.21 0.13 -0.11 -0.04 1.64 1.41 2v7nG1 LEU 96 HD13 -0.06 0.01 -0.30 -0.04 0.93 0.54 2v7nG1 LEU 96 HD23 -0.52 -0.01 -0.15 -0.04 0.89 0.16 2v7nG1 GLU 97 H -0.14 0.13 0.18 -0.55 8.60 8.23 2v7nG1 GLU 97 HA 0.02 0.22 0.84 -0.75 4.29 4.62 2v7nG1 GLU 97 HB2 0.01 -0.03 0.06 -0.04 2.09 2.09 2v7nG1 GLU 97 HB3 0.04 0.00 0.14 -0.04 1.99 2.12 2v7nG1 GLU 97 HG2 -0.04 0.08 -0.08 -0.04 2.34 2.25 2v7nG1 GLU 97 HG3 0.01 -0.00 0.02 -0.04 2.34 2.32 2v7nG1 PRO 98 HA 0.39 0.11 0.38 -0.51 4.44 4.80 2v7nG1 PRO 98 HB2 0.08 0.03 0.01 -0.04 2.28 2.37 2v7nG1 PRO 98 HB3 0.09 0.09 0.11 -0.04 2.02 2.26 2v7nG1 PRO 98 HG2 0.05 0.06 0.09 -0.04 2.03 2.20 2v7nG1 PRO 98 HG3 0.08 0.08 0.10 -0.04 2.03 2.24 2v7nG1 PRO 98 HD2 0.06 0.09 0.20 -0.04 3.68 3.99 2v7nG1 PRO 98 HD3 0.06 0.15 0.24 -0.04 3.65 4.06 2v7nG1 GLU 99 H 0.09 0.06 -0.30 -0.55 8.60 7.90 2v7nG1 GLU 99 HA 0.10 0.15 0.47 -0.75 4.29 4.26 2v7nG1 GLU 99 HB2 0.08 0.05 0.11 -0.04 2.09 2.28 2v7nG1 GLU 99 HB3 0.07 -0.02 0.06 -0.04 1.99 2.06 2v7nG1 GLU 99 HG2 0.09 0.01 -0.23 -0.04 2.34 2.17 2v7nG1 GLU 99 HG3 0.09 0.04 -0.07 -0.04 2.34 2.36 2v7nG1 ASP 100 H 0.03 0.49 -0.55 -0.55 8.40 7.83 2v7nG1 ASP 100 HA 0.18 0.18 0.60 -0.75 4.63 4.84 2v7nG1 ASP 100 HB2 -0.33 0.11 0.03 -0.04 2.71 2.49 2v7nG1 ASP 100 HB3 -0.06 -0.00 0.03 -0.04 2.70 2.63 2v7nG1 PHE 101 H 0.23 0.24 -0.21 -0.55 8.34 8.05 2v7nG1 PHE 101 HA 0.15 0.06 0.56 -0.75 4.62 4.63 2v7nG1 PHE 101 HB2 0.05 0.02 0.16 -0.04 3.15 3.33 2v7nG1 PHE 101 HB3 0.07 0.03 0.09 -0.04 3.06 3.21 2v7nG1 PHE 101 HD2 0.05 0.08 -0.33 -0.04 7.28 7.04 2v7nG1 PHE 101 HE2 0.02 -0.01 -0.30 -0.04 7.38 7.04 2v7nG1 PHE 101 HZ -0.00 -0.08 -0.56 -0.04 7.32 6.63 2v7nG1 ALA 102 H 0.25 0.32 0.45 -0.55 8.40 8.87 2v7nG1 ALA 102 HA 0.06 0.01 0.61 -0.75 4.34 4.27 2v7nG1 ALA 102 HB3 -0.15 0.05 -0.25 -0.04 1.41 1.02 2v7nG1 VAL 103 H -0.08 0.52 0.33 -0.55 8.24 8.45 2v7nG1 VAL 103 HA 0.03 0.25 1.04 -0.75 4.13 4.70 2v7nG1 VAL 103 HB -0.09 0.03 0.11 -0.04 2.12 2.12 2v7nG1 VAL 103 HG13 -0.36 -0.00 -0.19 -0.04 0.97 0.38 2v7nG1 VAL 103 HG23 0.02 -0.02 -0.03 -0.04 0.95 0.88 2v7nG1 TYR 104 H 0.06 0.41 0.33 -0.55 8.29 8.54 2v7nG1 TYR 104 HA 0.15 0.37 1.11 -0.75 4.56 5.44 2v7nG1 TYR 104 HB2 0.12 -0.01 0.13 -0.04 3.06 3.26 2v7nG1 TYR 104 HB3 0.29 -0.03 -0.03 -0.04 2.98 3.16 2v7nG1 TYR 104 HD2 0.11 0.04 -0.14 -0.04 7.15 7.11 2v7nG1 TYR 104 HE2 0.13 0.04 -0.04 -0.04 6.85 6.93 2v7nG1 TYR 105 H 0.47 0.57 0.29 -0.55 8.29 9.06 2v7nG1 TYR 105 HA 0.25 0.08 0.97 -0.75 4.56 5.11 2v7nG1 TYR 105 HB2 0.28 -0.05 -0.00 -0.04 3.06 3.24 2v7nG1 TYR 105 HB3 0.28 0.13 -0.04 -0.04 2.98 3.31 2v7nG1 TYR 105 HD2 0.07 0.03 -0.23 -0.04 7.15 6.99 2v7nG1 TYR 105 HE2 -0.01 0.08 -0.22 -0.04 6.85 6.65 2v7nG1 CYS 106 H 0.13 0.03 0.19 -0.55 8.50 8.29 2v7nG1 CYS 106 HA -0.49 0.40 1.08 -0.75 4.58 4.82 2v7nG1 CYS 106 HB2 -0.86 0.02 0.04 -0.04 2.97 2.12 2v7nG1 CYS 106 HB3 -1.85 0.05 -0.02 -0.04 2.97 1.11 2v7nG1 HIS 107 H -0.28 0.38 0.21 -0.55 8.41 8.17 2v7nG1 HIS 107 HA -0.35 0.26 0.99 -0.75 4.63 4.78 2v7nG1 HIS 107 HB2 -0.17 0.07 -0.25 -0.04 3.26 2.88 2v7nG1 HIS 107 HB3 0.23 -0.04 -0.11 -0.04 3.20 3.24 2v7nG1 HIS 107 HD2 -0.93 0.30 -0.02 -0.04 6.97 6.28 2v7nG1 HIS 107 HE1 -0.18 -0.01 -0.13 -0.04 7.75 7.39 2v7nG1 GLN 108 H -0.24 0.38 0.23 -0.55 8.47 8.29 2v7nG1 GLN 108 HA -0.42 0.29 1.08 -0.75 4.36 4.55 2v7nG1 GLN 108 HB2 -0.23 -0.04 0.09 -0.04 2.15 1.92 2v7nG1 GLN 108 HB3 -0.24 -0.01 0.01 -0.04 2.02 1.74 2v7nG1 GLN 108 HG2 -0.10 0.05 -0.02 -0.04 2.40 2.29 2v7nG1 GLN 108 HG3 -0.13 0.01 0.19 -0.04 2.39 2.41 2v7nG1 GLN 108 HE21 -0.04 0.08 -0.05 -0.04 6.97 6.92 2v7nG1 GLN 108 HE22 -0.04 0.10 0.11 -0.04 7.69 7.82 2v7nG1 TYR 109 H -0.71 0.65 0.21 -0.55 8.29 7.89 2v7nG1 TYR 109 HA -0.14 0.15 0.81 -0.75 4.56 4.63 2v7nG1 TYR 109 HB2 -0.04 0.03 0.17 -0.04 3.06 3.17 2v7nG1 TYR 109 HB3 -0.33 0.04 -0.10 -0.04 2.98 2.55 2v7nG1 TYR 109 HD2 -0.46 0.02 -0.15 -0.04 7.15 6.51 2v7nG1 TYR 109 HE2 -0.64 -0.01 -0.29 -0.04 6.85 5.87 2v7nG1 SER 110 H -0.16 0.08 -0.07 -0.55 8.46 7.77 2v7nG1 SER 110 HA -0.10 0.19 0.57 -0.75 4.49 4.40 2v7nG1 SER 110 HB2 -0.17 0.07 0.20 -0.04 3.95 4.01 2v7nG1 SER 110 HB3 -0.19 -0.01 0.07 -0.04 3.93 3.77 2v7nG1 ASP 111 H -0.03 0.10 -0.23 -0.55 8.40 7.69 2v7nG1 ASP 111 HA -0.03 0.20 0.58 -0.75 4.63 4.63 2v7nG1 ASP 111 HB2 -0.02 -0.11 0.18 -0.04 2.71 2.73 2v7nG1 ASP 111 HB3 -0.04 0.08 -0.07 -0.04 2.70 2.63 2v7nG1 ILE 135 H -0.00 0.14 0.09 -0.55 8.25 7.93 2v7nG1 ILE 135 HA 0.02 0.19 0.36 -0.75 4.18 3.99 2v7nG1 ILE 135 HB 0.01 0.03 0.09 -0.04 1.89 1.98 2v7nG1 ILE 135 HG12 0.00 -0.03 -0.01 -0.04 1.49 1.41 2v7nG1 ILE 135 HG13 0.01 0.03 -0.07 -0.04 1.21 1.13 2v7nG1 ILE 135 HG23 0.00 -0.00 -0.01 -0.04 0.93 0.88 2v7nG1 ILE 135 HD13 -0.00 -0.00 0.03 -0.04 0.88 0.86 2v7nG1 SER 136 H 0.01 0.00 -0.28 -0.55 8.46 7.64 2v7nG1 SER 136 HA 0.02 0.21 0.75 -0.75 4.49 4.72 2v7nG1 SER 136 HB2 0.01 -0.06 0.08 -0.04 3.95 3.93 2v7nG1 SER 136 HB3 0.02 0.08 0.06 -0.04 3.93 4.04 2v7nG1 PRO 137 HA -0.01 0.07 0.53 -0.51 4.44 4.51 2v7nG1 PRO 137 HB2 0.07 -0.01 0.00 -0.04 2.28 2.30 2v7nG1 PRO 137 HB3 0.16 0.06 0.13 -0.04 2.02 2.33 2v7nG1 PRO 137 HG2 0.08 0.01 0.04 -0.04 2.03 2.12 2v7nG1 PRO 137 HG3 0.09 0.06 0.04 -0.04 2.03 2.17 2v7nG1 PRO 137 HD2 0.04 0.09 0.13 -0.04 3.68 3.91 2v7nG1 PRO 137 HD3 0.04 0.21 -0.28 -0.04 3.65 3.57 2v7nG1 THR 138 H -0.09 0.27 0.39 -0.55 8.28 8.30 2v7nG1 THR 138 HA 0.07 0.21 0.92 -0.75 4.39 4.83 2v7nG1 THR 138 HB 0.04 -0.04 0.21 -0.04 4.32 4.49 2v7nG1 THR 138 HG23 0.02 0.04 -0.12 -0.04 1.22 1.12 2v7nG1 PHE 139 H 0.19 0.27 0.26 -0.55 8.34 8.51 2v7nG1 PHE 139 HA 0.08 0.17 1.02 -0.75 4.62 5.13 2v7nG1 PHE 139 HB2 -0.02 -0.05 0.09 -0.04 3.15 3.13 2v7nG1 PHE 139 HB3 0.01 0.16 0.09 -0.04 3.06 3.28 2v7nG1 PHE 139 HD2 -0.04 0.03 -0.12 -0.04 7.28 7.11 2v7nG1 PHE 139 HE2 -0.40 -0.02 -0.15 -0.04 7.38 6.77 2v7nG1 PHE 139 HZ -0.57 -0.02 -0.11 -0.04 7.32 6.57 2v7nG1 GLY 140 H 0.18 0.38 0.19 -0.55 8.43 8.64 2v7nG1 GLY 140 HA2 0.11 0.29 0.65 -0.51 4.01 4.56 2v7nG1 GLY 140 HA3 0.13 -0.12 0.35 -0.51 4.01 3.86 2v7nG1 GLN 141 H 0.13 0.08 0.22 -0.55 8.47 8.35 2v7nG1 GLN 141 HA 0.20 0.25 0.89 -0.75 4.36 4.94 2v7nG1 GLN 141 HB2 0.11 0.02 0.22 -0.04 2.15 2.46 2v7nG1 GLN 141 HB3 0.10 0.01 0.13 -0.04 2.02 2.22 2v7nG1 GLN 141 HG2 0.07 0.00 0.07 -0.04 2.40 2.51 2v7nG1 GLN 141 HG3 0.08 -0.01 0.13 -0.04 2.39 2.54 2v7nG1 GLN 141 HE21 0.09 0.06 -0.03 -0.04 6.97 7.04 2v7nG1 GLN 141 HE22 0.08 0.05 -0.07 -0.04 7.69 7.71 2v7nG1 GLY 142 H 0.15 -0.14 -0.13 -0.55 8.43 7.77 2v7nG1 GLY 142 HA2 -0.15 0.16 0.38 -0.51 4.01 3.89 2v7nG1 GLY 142 HA3 -0.28 0.15 0.44 -0.51 4.01 3.81 2v7nG1 THR 143 H 0.03 0.42 0.30 -0.55 8.28 8.48 2v7nG1 THR 143 HA 0.08 0.32 0.89 -0.75 4.39 4.93 2v7nG1 THR 143 HB 0.19 -0.08 0.11 -0.04 4.32 4.50 2v7nG1 THR 143 HG23 0.09 -0.02 -0.39 -0.04 1.22 0.86 2v7nG1 LYS 144 H 0.08 0.70 0.33 -0.55 8.42 8.98 2v7nG1 LYS 144 HA 0.11 0.15 0.94 -0.75 4.32 4.77 2v7nG1 LYS 144 HB2 0.06 0.01 0.06 -0.04 1.87 1.97 2v7nG1 LYS 144 HB3 0.09 -0.08 0.15 -0.04 1.79 1.91 2v7nG1 LYS 144 HG2 0.15 0.11 -0.32 -0.04 1.46 1.36 2v7nG1 LYS 144 HG3 0.09 -0.01 -0.11 -0.04 1.46 1.39 2v7nG1 LYS 144 HD2 0.09 -0.00 -0.06 -0.04 1.69 1.68 2v7nG1 LYS 144 HD3 0.11 -0.06 -0.10 -0.04 1.68 1.59 2v7nG1 LYS 144 HE2 0.20 -0.02 -0.12 -0.04 2.99 3.00 2v7nG1 LYS 144 HE3 0.14 0.04 -0.09 -0.04 2.99 3.04 2v7nG1 VAL 145 H 0.24 0.86 0.41 -0.55 8.24 9.20 2v7nG1 VAL 145 HA 0.17 0.16 1.04 -0.75 4.13 4.75 2v7nG1 VAL 145 HB 0.24 0.05 0.27 -0.04 2.12 2.65 2v7nG1 VAL 145 HG13 0.01 -0.02 -0.16 -0.04 0.97 0.76 2v7nG1 VAL 145 HG23 -0.00 -0.01 -0.11 -0.04 0.95 0.79 2v7nG1 GLU 146 H 0.25 0.70 0.35 -0.55 8.60 9.36 2v7nG1 GLU 146 HA 0.25 0.10 0.82 -0.75 4.29 4.70 2v7nG1 GLU 146 HB2 0.21 -0.01 -0.15 -0.04 2.09 2.10 2v7nG1 GLU 146 HB3 0.21 -0.02 -0.02 -0.04 1.99 2.12 2v7nG1 GLU 146 HG2 0.20 -0.02 0.05 -0.04 2.34 2.53 2v7nG1 GLU 146 HG3 0.38 -0.04 -0.02 -0.04 2.34 2.62 2v7nG1 ILE 147 H -0.13 0.11 0.14 -0.55 8.25 7.82 2v7nG1 ILE 147 HA -0.71 0.26 0.61 -0.75 4.18 3.59 2v7nG1 ILE 147 HB -0.35 -0.05 0.15 -0.04 1.89 1.60 2v7nG1 ILE 147 HG12 -0.99 0.01 0.02 -0.04 1.49 0.49 2v7nG1 ILE 147 HG13 -1.98 -0.04 -0.01 -0.04 1.21 -0.86 2v7nG1 ILE 147 HG23 -0.40 0.01 -0.15 -0.04 0.93 0.35 2v7nG1 ILE 147 HD13 -0.22 0.00 0.03 -0.04 0.88 0.65 2v7nG1 LYS 148 H -0.09 0.65 0.17 -0.55 8.42 8.60 2v7nG1 LYS 148 HA -0.10 0.06 0.64 -0.75 4.32 4.17 2v7nG1 LYS 148 HB2 0.09 -0.07 -0.39 -0.04 1.87 1.46 2v7nG1 LYS 148 HB3 0.00 -0.05 -0.25 -0.04 1.79 1.45 2v7nG1 LYS 148 HG2 0.02 0.07 -0.13 -0.04 1.46 1.38 2v7nG1 LYS 148 HG3 0.20 -0.04 -0.05 -0.04 1.46 1.53 2v7nG1 LYS 148 HD2 0.06 0.01 -0.12 -0.04 1.69 1.60 2v7nG1 LYS 148 HD3 0.03 -0.02 -0.13 -0.04 1.68 1.52 2v7nG1 LYS 148 HE2 0.12 -0.03 -0.03 -0.04 2.99 3.01 2v7nG1 LYS 148 HE3 0.06 0.02 -0.01 -0.04 2.99 3.02 2v7nG1 ARG 149 H -0.52 0.22 0.13 -0.55 8.46 7.74 2v7nG1 ARG 149 HA -0.22 0.08 0.63 -0.75 4.34 4.08 2v7nG1 ARG 149 HB2 -0.29 0.00 -0.03 -0.04 1.90 1.54 2v7nG1 ARG 149 HB3 -0.60 0.04 -0.45 -0.04 1.80 0.75 2v7nG1 ARG 149 HG2 -0.78 0.08 -0.08 -0.04 1.67 0.85 2v7nG1 ARG 149 HG3 -0.47 0.08 -0.38 -0.04 1.67 0.86 2v7nG1 ARG 149 HD2 -0.17 0.00 -0.03 -0.04 3.22 2.97 2v7nG1 ARG 149 HD3 -0.12 -0.02 -0.27 -0.04 3.22 2.77 2v7nG1 THR 150 H -0.09 0.12 0.08 -0.55 8.28 7.83 2v7nG1 THR 150 HA 0.02 -0.01 0.49 -0.75 4.39 4.13 2v7nG1 THR 150 HB -0.00 -0.00 0.08 -0.04 4.32 4.35 2v7nG1 THR 150 HG23 0.04 0.12 -0.03 -0.04 1.22 1.31 2v7nG1 VAL 151 H 0.11 0.02 0.16 -0.55 8.24 7.98 2v7nG1 VAL 151 HA 0.30 0.17 0.37 -0.75 4.13 4.22 2v7nG1 VAL 151 HB 0.09 -0.05 0.11 -0.04 2.12 2.24 2v7nG1 VAL 151 HG13 0.14 0.02 -0.14 -0.04 0.97 0.95 2v7nG1 VAL 151 HG23 0.10 -0.01 0.06 -0.04 0.95 1.06 2v7nG1 ALA 152 H 0.31 0.68 0.34 -0.55 8.40 9.17 2v7nG1 ALA 152 HA 0.11 0.06 0.66 -0.75 4.34 4.43 2v7nG1 ALA 152 HB3 0.11 0.02 0.03 -0.04 1.41 1.53 2v7nG1 ALA 153 H 0.10 0.14 0.08 -0.55 8.40 8.18 2v7nG1 ALA 153 HA 0.06 -0.07 0.41 -0.75 4.34 3.98 2v7nG1 ALA 153 HB3 0.05 0.04 -0.10 -0.04 1.41 1.36 2v7nG1 PRO 154 HA 0.11 0.37 0.44 -0.51 4.44 4.85 2v7nG1 PRO 154 HB2 -0.06 0.02 -0.20 -0.04 2.28 1.99 2v7nG1 PRO 154 HB3 -0.12 -0.01 -0.14 -0.04 2.02 1.71 2v7nG1 PRO 154 HG2 -0.18 0.00 -0.08 -0.04 2.03 1.73 2v7nG1 PRO 154 HG3 -0.48 0.02 -0.09 -0.04 2.03 1.44 2v7nG1 PRO 154 HD2 -0.17 -0.01 0.09 -0.04 3.68 3.55 2v7nG1 PRO 154 HD3 -0.92 0.12 0.10 -0.04 3.65 2.92 2v7nG1 SER 155 H 0.10 0.47 0.25 -0.55 8.46 8.73 2v7nG1 SER 155 HA -0.09 0.10 0.75 -0.75 4.49 4.49 2v7nG1 SER 155 HB2 0.27 -0.09 0.06 -0.04 3.95 4.15 2v7nG1 SER 155 HB3 -0.04 0.00 0.08 -0.04 3.93 3.93 2v7nG1 VAL 156 H -0.29 0.18 0.12 -0.55 8.24 7.70 2v7nG1 VAL 156 HA -0.03 0.44 1.24 -0.75 4.13 5.02 2v7nG1 VAL 156 HB -0.18 -0.04 -0.01 -0.04 2.12 1.86 2v7nG1 VAL 156 HG13 -0.10 0.01 -0.16 -0.04 0.97 0.67 2v7nG1 VAL 156 HG23 -0.12 0.02 -0.20 -0.04 0.95 0.61 2v7nG1 PHE 157 H 0.20 0.54 0.33 -0.55 8.34 8.86 2v7nG1 PHE 157 HA -0.12 0.16 0.89 -0.75 4.62 4.80 2v7nG1 PHE 157 HB2 -0.02 -0.06 0.01 -0.04 3.15 3.05 2v7nG1 PHE 157 HB3 -0.40 0.06 0.00 -0.04 3.06 2.67 2v7nG1 PHE 157 HD2 -0.01 0.04 -0.11 -0.04 7.28 7.16 2v7nG1 PHE 157 HE2 0.03 -0.00 -0.11 -0.04 7.38 7.25 2v7nG1 PHE 157 HZ 0.03 -0.00 -0.08 -0.04 7.32 7.23 2v7nG1 ILE 158 H -0.10 0.21 0.17 -0.55 8.25 7.98 2v7nG1 ILE 158 HA 0.13 0.31 1.16 -0.75 4.18 5.03 2v7nG1 ILE 158 HB 0.06 -0.03 -0.13 -0.04 1.89 1.75 2v7nG1 ILE 158 HG12 0.61 -0.00 -0.32 -0.04 1.49 1.73 2v7nG1 ILE 158 HG13 0.47 0.05 -0.12 -0.04 1.21 1.56 2v7nG1 ILE 158 HG23 0.17 -0.02 -0.20 -0.04 0.93 0.85 2v7nG1 ILE 158 HD13 0.24 -0.03 -0.24 -0.04 0.88 0.81 2v7nG1 PHE 159 H 0.40 0.77 0.31 -0.55 8.34 9.27 2v7nG1 PHE 159 HA 0.05 0.19 0.95 -0.75 4.62 5.05 2v7nG1 PHE 159 HB2 0.09 -0.11 0.18 -0.04 3.15 3.28 2v7nG1 PHE 159 HB3 0.02 0.08 0.06 -0.04 3.06 3.17 2v7nG1 PHE 159 HD2 0.07 0.07 -0.10 -0.04 7.28 7.28 2v7nG1 PHE 159 HE2 0.03 -0.02 -0.12 -0.04 7.38 7.23 2v7nG1 PHE 159 HZ -0.14 -0.02 -0.10 -0.04 7.32 7.02 2v7nG1 PRO 160 HA -0.02 0.07 0.58 -0.51 4.44 4.56 2v7nG1 PRO 160 HB2 -0.27 0.18 -0.02 -0.04 2.28 2.13 2v7nG1 PRO 160 HB3 -1.17 -0.01 0.07 -0.04 2.02 0.86 2v7nG1 PRO 160 HG2 -0.18 0.00 -0.00 -0.04 2.03 1.81 2v7nG1 PRO 160 HG3 -0.48 0.03 0.04 -0.04 2.03 1.58 2v7nG1 PRO 160 HD2 -0.05 0.10 0.25 -0.04 3.68 3.93 2v7nG1 PRO 160 HD3 -0.45 0.14 0.01 -0.04 3.65 3.31 2v7nG1 PRO 161 HA -0.13 0.14 0.77 -0.51 4.44 4.71 2v7nG1 PRO 161 HB2 -0.29 0.08 -0.01 -0.04 2.28 2.02 2v7nG1 PRO 161 HB3 -0.32 -0.18 0.15 -0.04 2.02 1.63 2v7nG1 PRO 161 HG2 -0.71 0.02 -0.00 -0.04 2.03 1.30 2v7nG1 PRO 161 HG3 -1.36 -0.00 -0.04 -0.04 2.03 0.58 2v7nG1 PRO 161 HD2 -0.17 0.06 0.16 -0.04 3.68 3.70 2v7nG1 PRO 161 HD3 -0.30 0.12 -0.02 -0.04 3.65 3.42 2v7nG1 SER 162 H -0.09 0.09 0.19 -0.55 8.46 8.11 2v7nG1 SER 162 HA -0.05 0.17 0.66 -0.75 4.49 4.51 2v7nG1 SER 162 HB2 -0.04 -0.01 0.15 -0.04 3.95 4.01 2v7nG1 SER 162 HB3 -0.05 0.14 0.15 -0.04 3.93 4.13 2v7nG1 ASP 163 H -0.03 0.21 0.18 -0.55 8.40 8.21 2v7nG1 ASP 163 HA -0.01 0.14 0.36 -0.75 4.63 4.36 2v7nG1 ASP 163 HB2 -0.01 -0.05 0.14 -0.04 2.71 2.75 2v7nG1 ASP 163 HB3 -0.00 0.05 -0.03 -0.04 2.70 2.67 2v7nG1 GLU 164 H -0.03 0.03 -0.23 -0.55 8.60 7.83 2v7nG1 GLU 164 HA -0.02 0.10 0.37 -0.75 4.29 3.99 2v7nG1 GLU 164 HB2 -0.02 0.00 0.08 -0.04 2.09 2.11 2v7nG1 GLU 164 HB3 -0.03 -0.08 0.04 -0.04 1.99 1.88 2v7nG1 GLU 164 HG2 -0.02 0.04 -0.15 -0.04 2.34 2.16 2v7nG1 GLU 164 HG3 -0.02 0.03 0.01 -0.04 2.34 2.32 2v7nG1 GLN 165 H -0.05 0.07 -0.20 -0.55 8.47 7.74 2v7nG1 GLN 165 HA -0.04 0.07 0.44 -0.75 4.36 4.08 2v7nG1 GLN 165 HB2 -0.06 -0.05 0.11 -0.04 2.15 2.10 2v7nG1 GLN 165 HB3 -0.09 0.07 0.15 -0.04 2.02 2.11 2v7nG1 GLN 165 HG2 -0.07 0.21 -0.24 -0.04 2.40 2.26 2v7nG1 GLN 165 HG3 -0.05 -0.02 -0.01 -0.04 2.39 2.27 2v7nG1 GLN 165 HE21 -0.07 0.01 -0.15 -0.04 6.97 6.71 2v7nG1 GLN 165 HE22 -0.06 0.03 -0.14 -0.04 7.69 7.47 2v7nG1 LEU 166 H -0.06 0.35 -0.19 -0.55 8.37 7.92 2v7nG1 LEU 166 HA -0.05 0.20 0.33 -0.75 4.35 4.07 2v7nG1 LEU 166 HB2 -0.02 0.10 0.14 -0.04 1.64 1.82 2v7nG1 LEU 166 HB3 0.02 -0.02 -0.06 -0.04 1.64 1.54 2v7nG1 LEU 166 HG -0.18 -0.01 -0.03 -0.04 1.64 1.38 2v7nG1 LEU 166 HD13 0.14 -0.01 -0.08 -0.04 0.93 0.95 2v7nG1 LEU 166 HD23 -0.00 0.00 -0.11 -0.04 0.89 0.75 2v7nG1 LYS 167 H -0.01 0.35 -0.35 -0.55 8.42 7.85 2v7nG1 LYS 167 HA 0.00 0.02 0.26 -0.75 4.32 3.85 2v7nG1 LYS 167 HB2 -0.00 0.01 -0.04 -0.04 1.87 1.80 2v7nG1 LYS 167 HB3 0.00 -0.05 0.11 -0.04 1.79 1.81 2v7nG1 LYS 167 HG2 -0.00 -0.06 0.03 -0.04 1.46 1.39 2v7nG1 LYS 167 HG3 -0.01 0.18 0.18 -0.04 1.46 1.77 2v7nG1 LYS 167 HD2 -0.01 -0.12 0.04 -0.04 1.69 1.56 2v7nG1 LYS 167 HD3 -0.01 0.05 0.03 -0.04 1.68 1.71 2v7nG1 LYS 167 HE2 -0.00 0.00 0.01 -0.04 2.99 2.96 2v7nG1 LYS 167 HE3 -0.00 -0.04 -0.01 -0.04 2.99 2.89 2v7nG1 SER 168 H -0.02 0.44 -0.43 -0.55 8.46 7.91 2v7nG1 SER 168 HA -0.01 0.07 0.58 -0.75 4.49 4.37 2v7nG1 SER 168 HB2 -0.02 -0.07 0.14 -0.04 3.95 3.97 2v7nG1 SER 168 HB3 -0.02 0.01 0.14 -0.04 3.93 4.02 2v7nG1 GLY 169 H -0.01 0.57 -0.18 -0.55 8.43 8.27 2v7nG1 GLY 169 HA2 0.00 -0.04 0.33 -0.51 4.01 3.79 2v7nG1 GLY 169 HA3 -0.00 0.18 0.82 -0.51 4.01 4.49 2v7nG1 THR 170 H -0.03 0.28 -0.03 -0.55 8.28 7.95 2v7nG1 THR 170 HA -0.03 0.12 0.92 -0.75 4.39 4.65 2v7nG1 THR 170 HB -0.05 -0.03 -0.11 -0.04 4.32 4.10 2v7nG1 THR 170 HG23 -0.05 0.02 -0.08 -0.04 1.22 1.07 2v7nG1 ALA 171 H -0.08 0.78 0.19 -0.55 8.40 8.75 2v7nG1 ALA 171 HA -0.23 0.06 0.74 -0.75 4.34 4.16 2v7nG1 ALA 171 HB3 -0.41 0.01 -0.10 -0.04 1.41 0.86 2v7nG1 SER 172 H -0.18 0.13 0.10 -0.55 8.46 7.96 2v7nG1 SER 172 HA -0.15 0.38 1.08 -0.75 4.49 5.05 2v7nG1 SER 172 HB2 -0.09 -0.07 0.11 -0.04 3.95 3.86 2v7nG1 SER 172 HB3 -0.07 0.04 -0.09 -0.04 3.93 3.77 2v7nG1 VAL 173 H -0.26 0.75 0.28 -0.55 8.24 8.47 2v7nG1 VAL 173 HA 0.02 0.28 0.90 -0.75 4.13 4.58 2v7nG1 VAL 173 HB -0.80 -0.09 0.07 -0.04 2.12 1.26 2v7nG1 VAL 173 HG13 0.39 -0.01 -0.09 -0.04 0.97 1.22 2v7nG1 VAL 173 HG23 -0.21 0.02 -0.16 -0.04 0.95 0.57 2v7nG1 VAL 174 H 0.31 0.64 0.26 -0.55 8.24 8.90 2v7nG1 VAL 174 HA 0.38 0.30 1.14 -0.75 4.13 5.20 2v7nG1 VAL 174 HB 0.29 -0.02 0.08 -0.04 2.12 2.43 2v7nG1 VAL 174 HG13 0.19 -0.01 -0.21 -0.04 0.97 0.90 2v7nG1 VAL 174 HG23 0.05 0.01 -0.24 -0.04 0.95 0.73 2v7nG1 CYS 175 H 0.57 0.73 0.40 -0.55 8.50 9.66 2v7nG1 CYS 175 HA 0.24 0.30 1.12 -0.75 4.58 5.49 2v7nG1 CYS 175 HB2 -0.49 -0.03 -0.00 -0.04 2.97 2.41 2v7nG1 CYS 175 HB3 -0.08 -0.06 0.12 -0.04 2.97 2.90 2v7nG1 LEU 176 H 0.23 0.71 0.35 -0.55 8.37 9.11 2v7nG1 LEU 176 HA 0.20 0.26 1.09 -0.75 4.35 5.14 2v7nG1 LEU 176 HB2 0.34 -0.02 -0.08 -0.04 1.64 1.84 2v7nG1 LEU 176 HB3 0.45 -0.03 0.11 -0.04 1.64 2.13 2v7nG1 LEU 176 HG 0.28 0.01 -0.46 -0.04 1.64 1.43 2v7nG1 LEU 176 HD13 0.14 0.03 -0.09 -0.04 0.93 0.97 2v7nG1 LEU 176 HD23 0.08 -0.02 -0.12 -0.04 0.89 0.79 2v7nG1 LEU 177 H 0.17 0.77 0.35 -0.55 8.37 9.12 2v7nG1 LEU 177 HA 0.09 0.27 0.92 -0.75 4.35 4.88 2v7nG1 LEU 177 HB2 0.21 -0.13 0.15 -0.04 1.64 1.83 2v7nG1 LEU 177 HB3 -0.20 0.05 -0.03 -0.04 1.64 1.42 2v7nG1 LEU 177 HG -0.04 -0.00 -0.13 -0.04 1.64 1.43 2v7nG1 LEU 177 HD13 -0.50 0.01 -0.17 -0.04 0.93 0.22 2v7nG1 LEU 177 HD23 -0.10 -0.02 -0.36 -0.04 0.89 0.37 2v7nG1 ASN 178 H 0.22 0.77 0.25 -0.55 8.53 9.22 2v7nG1 ASN 178 HA 0.19 0.05 1.11 -0.75 4.76 5.36 2v7nG1 ASN 178 HB2 0.25 -0.02 -0.07 -0.04 2.88 3.00 2v7nG1 ASN 178 HB3 0.29 0.00 0.13 -0.04 2.79 3.17 2v7nG1 ASN 178 HD21 0.04 -0.01 -0.02 -0.04 7.03 7.00 2v7nG1 ASN 178 HD22 0.09 -0.01 0.03 -0.04 7.74 7.81 2v7nG1 ASN 179 H 0.06 0.05 0.18 -0.55 8.53 8.28 2v7nG1 ASN 179 HA -0.11 0.11 0.25 -0.75 4.76 4.26 2v7nG1 ASN 179 HB2 0.04 0.09 0.10 -0.04 2.88 3.07 2v7nG1 ASN 179 HB3 -0.02 -0.04 0.00 -0.04 2.79 2.69 2v7nG1 ASN 179 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.95 2v7nG1 ASN 179 HD22 -0.03 0.02 -0.06 -0.04 7.74 7.63 2v7nG1 PHE 180 H -0.59 0.58 0.20 -0.55 8.34 7.99 2v7nG1 PHE 180 HA 0.02 0.37 0.80 -0.75 4.62 5.05 2v7nG1 PHE 180 HB2 -0.45 0.02 0.04 -0.04 3.15 2.71 2v7nG1 PHE 180 HB3 -0.21 -0.07 -0.26 -0.04 3.06 2.48 2v7nG1 PHE 180 HD2 0.01 0.13 -0.40 -0.04 7.28 6.98 2v7nG1 PHE 180 HE2 0.01 0.00 -0.11 -0.04 7.38 7.25 2v7nG1 PHE 180 HZ 0.03 -0.02 -0.26 -0.04 7.32 7.03 2v7nG1 TYR 181 H 0.37 0.56 0.30 -0.55 8.29 8.97 2v7nG1 TYR 181 HA 0.31 -0.04 0.29 -0.75 4.56 4.37 2v7nG1 TYR 181 HB2 0.07 0.12 -0.02 -0.04 3.06 3.19 2v7nG1 TYR 181 HB3 0.11 0.16 -0.05 -0.04 2.98 3.15 2v7nG1 TYR 181 HD2 0.14 0.05 -0.17 -0.04 7.15 7.13 2v7nG1 TYR 181 HE2 0.13 0.00 0.01 -0.04 6.85 6.95 2v7nG1 PRO 182 HA -1.67 0.15 0.31 -0.51 4.44 2.71 2v7nG1 PRO 182 HB2 -0.31 -0.13 0.12 -0.04 2.28 1.93 2v7nG1 PRO 182 HB3 -0.54 0.09 0.11 -0.04 2.02 1.64 2v7nG1 PRO 182 HG2 -0.20 0.07 0.05 -0.04 2.03 1.90 2v7nG1 PRO 182 HG3 -0.14 0.06 0.10 -0.04 2.03 2.01 2v7nG1 PRO 182 HD2 -0.25 -0.02 0.22 -0.04 3.68 3.59 2v7nG1 PRO 182 HD3 0.02 0.13 0.32 -0.04 3.65 4.08 2v7nG1 ARG 183 H -0.32 0.13 0.10 -0.55 8.46 7.80 2v7nG1 ARG 183 HA 0.11 0.13 0.33 -0.75 4.34 4.16 2v7nG1 ARG 183 HB2 -0.59 0.00 0.08 -0.04 1.90 1.35 2v7nG1 ARG 183 HB3 -0.27 -0.01 -0.02 -0.04 1.80 1.46 2v7nG1 ARG 183 HG2 -0.40 0.02 0.04 -0.04 1.67 1.28 2v7nG1 ARG 183 HG3 -1.95 0.02 -0.02 -0.04 1.67 -0.33 2v7nG1 ARG 183 HD2 -0.22 -0.02 -0.11 -0.04 3.22 2.83 2v7nG1 ARG 183 HD3 -0.15 -0.01 -0.07 -0.04 3.22 2.96 2v7nG1 GLU 184 H -0.09 -0.03 -0.14 -0.55 8.60 7.79 2v7nG1 GLU 184 HA -0.03 0.04 0.46 -0.75 4.29 4.00 2v7nG1 GLU 184 HB2 -0.09 -0.04 0.07 -0.04 2.09 1.99 2v7nG1 GLU 184 HB3 -0.06 0.04 -0.05 -0.04 1.99 1.88 2v7nG1 GLU 184 HG2 -0.05 0.03 0.00 -0.04 2.34 2.28 2v7nG1 GLU 184 HG3 -0.04 0.04 0.00 -0.04 2.34 2.30 2v7nG1 ALA 185 H -0.03 0.25 0.21 -0.55 8.40 8.29 2v7nG1 ALA 185 HA -0.03 0.15 0.64 -0.75 4.34 4.35 2v7nG1 ALA 185 HB3 -0.17 0.02 -0.10 -0.04 1.41 1.12 2v7nG1 LYS 186 H -0.06 0.47 0.24 -0.55 8.42 8.52 2v7nG1 LYS 186 HA -0.04 0.14 0.93 -0.75 4.32 4.59 2v7nG1 LYS 186 HB2 -0.04 -0.00 -0.01 -0.04 1.87 1.77 2v7nG1 LYS 186 HB3 -0.05 -0.05 0.15 -0.04 1.79 1.80 2v7nG1 LYS 186 HG2 -0.04 0.00 -0.26 -0.04 1.46 1.12 2v7nG1 LYS 186 HG3 -0.03 0.03 -0.02 -0.04 1.46 1.41 2v7nG1 LYS 186 HD2 -0.02 0.01 -0.05 -0.04 1.69 1.59 2v7nG1 LYS 186 HD3 -0.03 -0.01 -0.05 -0.04 1.68 1.55 2v7nG1 LYS 186 HE2 -0.03 -0.01 -0.07 -0.04 2.99 2.84 2v7nG1 LYS 186 HE3 -0.04 -0.01 -0.13 -0.04 2.99 2.77 2v7nG1 VAL 187 H -0.06 0.22 0.13 -0.55 8.24 7.98 2v7nG1 VAL 187 HA -0.16 0.39 1.05 -0.75 4.13 4.66 2v7nG1 VAL 187 HB -0.08 -0.04 0.07 -0.04 2.12 2.02 2v7nG1 VAL 187 HG13 -0.34 -0.00 -0.19 -0.04 0.97 0.40 2v7nG1 VAL 187 HG23 -0.12 0.00 -0.25 -0.04 0.95 0.55 2v7nG1 GLN 188 H -0.18 0.62 0.31 -0.55 8.47 8.67 2v7nG1 GLN 188 HA -0.02 0.21 1.07 -0.75 4.36 4.87 2v7nG1 GLN 188 HB2 -0.06 -0.03 0.00 -0.04 2.15 2.02 2v7nG1 GLN 188 HB3 -0.00 0.03 0.06 -0.04 2.02 2.07 2v7nG1 GLN 188 HG2 -0.02 0.07 -0.23 -0.04 2.40 2.19 2v7nG1 GLN 188 HG3 -0.05 -0.02 -0.26 -0.04 2.39 2.02 2v7nG1 GLN 188 HE21 -0.00 -0.01 -0.03 -0.04 6.97 6.89 2v7nG1 GLN 188 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 2v7nG1 TRP 189 H 0.21 0.19 0.20 -0.55 7.97 8.02 2v7nG1 TRP 189 HA 0.00 0.30 1.02 -0.75 4.62 5.18 2v7nG1 TRP 189 HB2 0.01 -0.05 0.08 -0.04 3.23 3.23 2v7nG1 TRP 189 HB3 0.02 0.03 -0.07 -0.04 3.23 3.17 2v7nG1 TRP 189 HD1 0.03 -0.02 -0.18 -0.04 7.22 7.01 2v7nG1 TRP 189 HE1 0.05 -0.05 -0.38 -0.04 10.20 9.79 2v7nG1 TRP 189 HE3 0.07 0.05 -0.10 -0.04 7.59 7.57 2v7nG1 TRP 189 HZ2 0.10 0.17 -0.01 -0.04 7.44 7.66 2v7nG1 TRP 189 HZ3 0.13 -0.03 -0.29 -0.04 7.13 6.90 2v7nG1 TRP 189 HH2 0.16 -0.01 -0.59 -0.04 7.19 6.71 2v7nG1 LYS 190 H 0.22 0.72 0.34 -0.55 8.42 9.14 2v7nG1 LYS 190 HA 0.04 0.33 0.67 -0.75 4.32 4.62 2v7nG1 LYS 190 HB2 -0.01 0.01 -0.04 -0.04 1.87 1.80 2v7nG1 LYS 190 HB3 -0.03 -0.15 -0.23 -0.04 1.79 1.33 2v7nG1 LYS 190 HG2 0.01 0.05 -0.36 -0.04 1.46 1.11 2v7nG1 LYS 190 HG3 -0.00 -0.03 -0.48 -0.04 1.46 0.91 2v7nG1 LYS 190 HD2 -0.03 -0.04 -0.18 -0.04 1.69 1.41 2v7nG1 LYS 190 HD3 -0.02 0.13 -0.20 -0.04 1.68 1.55 2v7nG1 LYS 190 HE2 -0.01 0.00 -0.10 -0.04 2.99 2.84 2v7nG1 LYS 190 HE3 -0.02 -0.03 -0.16 -0.04 2.99 2.73 2v7nG1 VAL 191 H -0.08 0.63 0.08 -0.55 8.24 8.32 2v7nG1 VAL 191 HA -0.39 0.31 1.13 -0.75 4.13 4.42 2v7nG1 VAL 191 HB -0.28 0.03 0.11 -0.04 2.12 1.94 2v7nG1 VAL 191 HG13 -0.65 0.01 -0.14 -0.04 0.97 0.15 2v7nG1 VAL 191 HG23 0.01 -0.01 -0.19 -0.04 0.95 0.72 2v7nG1 ASP 192 H -0.34 0.79 0.30 -0.55 8.40 8.60 2v7nG1 ASP 192 HA -0.10 -0.03 0.39 -0.75 4.63 4.13 2v7nG1 ASP 192 HB2 -0.00 0.15 -0.08 -0.04 2.71 2.74 2v7nG1 ASP 192 HB3 0.04 0.04 0.32 -0.04 2.70 3.06 2v7nG1 ASN 193 H -0.11 0.09 -0.46 -0.55 8.53 7.49 2v7nG1 ASN 193 HA -0.05 -0.01 0.06 -0.75 4.76 4.01 2v7nG1 ASN 193 HB2 -0.04 -0.07 -0.30 -0.04 2.88 2.43 2v7nG1 ASN 193 HB3 -0.03 0.20 -0.01 -0.04 2.79 2.91 2v7nG1 ASN 193 HD21 -0.02 -0.01 -0.01 -0.04 7.03 6.95 2v7nG1 ASN 193 HD22 -0.02 0.03 -0.02 -0.04 7.74 7.69 2v7nG1 ALA 194 H -0.09 0.44 -0.68 -0.55 8.40 7.52 2v7nG1 ALA 194 HA -0.03 0.12 0.82 -0.75 4.34 4.50 2v7nG1 ALA 194 HB3 -0.06 0.04 0.05 -0.04 1.41 1.40 2v7nG1 LEU 195 H -0.01 0.13 0.13 -0.55 8.37 8.08 2v7nG1 LEU 195 HA 0.03 0.25 0.60 -0.75 4.35 4.47 2v7nG1 LEU 195 HB2 0.01 -0.01 0.08 -0.04 1.64 1.68 2v7nG1 LEU 195 HB3 0.01 -0.04 0.13 -0.04 1.64 1.70 2v7nG1 LEU 195 HG 0.03 0.11 -0.26 -0.04 1.64 1.48 2v7nG1 LEU 195 HD13 0.03 0.03 0.06 -0.04 0.93 1.01 2v7nG1 LEU 195 HD23 0.01 -0.02 -0.03 -0.04 0.89 0.81 2v7nG1 GLN 196 H 0.10 0.51 0.35 -0.55 8.47 8.89 2v7nG1 GLN 196 HA 0.03 0.14 0.68 -0.75 4.36 4.45 2v7nG1 GLN 196 HB2 0.18 -0.09 0.05 -0.04 2.15 2.24 2v7nG1 GLN 196 HB3 0.04 -0.04 -0.01 -0.04 2.02 1.97 2v7nG1 GLN 196 HG2 0.10 0.08 -0.21 -0.04 2.40 2.33 2v7nG1 GLN 196 HG3 0.04 -0.04 -0.15 -0.04 2.39 2.20 2v7nG1 GLN 196 HE21 -0.07 -0.03 -0.16 -0.04 6.97 6.66 2v7nG1 GLN 196 HE22 -0.02 0.46 -0.36 -0.04 7.69 7.72 2v7nG1 SER 197 H 0.03 0.30 0.21 -0.55 8.46 8.45 2v7nG1 SER 197 HA 0.05 0.11 0.81 -0.75 4.49 4.71 2v7nG1 SER 197 HB2 0.03 0.08 -0.19 -0.04 3.95 3.82 2v7nG1 SER 197 HB3 0.02 0.02 0.04 -0.04 3.93 3.97 2v7nG1 GLY 198 H 0.04 0.18 0.17 -0.55 8.43 8.27 2v7nG1 GLY 198 HA2 0.02 0.05 0.41 -0.51 4.01 3.99 2v7nG1 GLY 198 HA3 0.02 0.13 0.53 -0.51 4.01 4.17 2v7nG1 ASN 199 H 0.02 -0.01 -0.36 -0.55 8.53 7.63 2v7nG1 ASN 199 HA -0.01 0.31 1.07 -0.75 4.76 5.37 2v7nG1 ASN 199 HB2 -0.05 0.17 0.27 -0.04 2.88 3.24 2v7nG1 ASN 199 HB3 -0.02 0.04 -0.06 -0.04 2.79 2.72 2v7nG1 ASN 199 HD21 -0.03 -0.05 -0.02 -0.04 7.03 6.89 2v7nG1 ASN 199 HD22 -0.03 0.04 0.03 -0.04 7.74 7.75 2v7nG1 SER 200 H 0.04 0.06 -0.01 -0.55 8.46 8.00 2v7nG1 SER 200 HA -0.02 0.43 1.13 -0.75 4.49 5.28 2v7nG1 SER 200 HB2 0.28 0.04 -0.14 -0.04 3.95 4.08 2v7nG1 SER 200 HB3 0.08 -0.05 -0.13 -0.04 3.93 3.79 2v7nG1 GLN 201 H 0.07 0.56 0.33 -0.55 8.47 8.89 2v7nG1 GLN 201 HA 0.06 0.17 0.92 -0.75 4.36 4.76 2v7nG1 GLN 201 HB2 0.04 -0.04 0.05 -0.04 2.15 2.17 2v7nG1 GLN 201 HB3 0.04 0.07 0.05 -0.04 2.02 2.14 2v7nG1 GLN 201 HG2 0.03 0.06 -0.05 -0.04 2.40 2.40 2v7nG1 GLN 201 HG3 0.02 -0.03 -0.30 -0.04 2.39 2.03 2v7nG1 GLN 201 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.91 2v7nG1 GLN 201 HE22 0.02 0.02 0.01 -0.04 7.69 7.70 2v7nG1 GLU 202 H 0.07 0.16 0.20 -0.55 8.60 8.47 2v7nG1 GLU 202 HA 0.11 0.37 1.22 -0.75 4.29 5.23 2v7nG1 GLU 202 HB2 0.06 -0.04 0.09 -0.04 2.09 2.16 2v7nG1 GLU 202 HB3 0.08 0.05 0.06 -0.04 1.99 2.14 2v7nG1 GLU 202 HG2 0.10 0.05 0.01 -0.04 2.34 2.46 2v7nG1 GLU 202 HG3 0.10 -0.09 -0.15 -0.04 2.34 2.15 2v7nG1 SER 203 H 0.09 0.58 0.42 -0.55 8.46 9.00 2v7nG1 SER 203 HA 0.06 0.14 0.69 -0.75 4.49 4.62 2v7nG1 SER 203 HB2 0.05 0.05 -0.05 -0.04 3.95 3.96 2v7nG1 SER 203 HB3 0.06 -0.08 0.06 -0.04 3.93 3.93 2v7nG1 VAL 204 H 0.07 0.27 0.23 -0.55 8.24 8.26 2v7nG1 VAL 204 HA 0.12 0.24 1.14 -0.75 4.13 4.88 2v7nG1 VAL 204 HB 0.07 -0.02 0.06 -0.04 2.12 2.19 2v7nG1 VAL 204 HG13 0.10 0.11 0.05 -0.04 0.97 1.19 2v7nG1 VAL 204 HG23 0.08 -0.02 -0.14 -0.04 0.95 0.83 2v7nG1 THR 205 H 0.11 0.48 0.34 -0.55 8.28 8.66 2v7nG1 THR 205 HA 0.06 0.09 0.76 -0.75 4.39 4.54 2v7nG1 THR 205 HB 0.02 0.07 0.16 -0.04 4.32 4.52 2v7nG1 THR 205 HG23 0.03 0.00 0.01 -0.04 1.22 1.22 2v7nG1 GLU 206 H 0.04 0.06 0.15 -0.55 8.60 8.30 2v7nG1 GLU 206 HA 0.13 0.10 0.64 -0.75 4.29 4.41 2v7nG1 GLU 206 HB2 0.01 -0.03 0.07 -0.04 2.09 2.10 2v7nG1 GLU 206 HB3 0.02 0.07 0.07 -0.04 1.99 2.11 2v7nG1 GLU 206 HG2 0.04 -0.04 0.07 -0.04 2.34 2.37 2v7nG1 GLU 206 HG3 0.03 0.03 0.06 -0.04 2.34 2.42 2v7nG1 GLN 207 H -0.02 0.09 0.08 -0.55 8.47 8.07 2v7nG1 GLN 207 HA -0.88 0.13 0.20 -0.75 4.36 3.06 2v7nG1 GLN 207 HB2 -0.19 -0.03 0.09 -0.04 2.15 1.97 2v7nG1 GLN 207 HB3 -0.16 -0.00 -0.01 -0.04 2.02 1.80 2v7nG1 GLN 207 HG2 -0.27 -0.00 -0.14 -0.04 2.40 1.94 2v7nG1 GLN 207 HG3 -0.64 0.07 -0.25 -0.04 2.39 1.53 2v7nG1 GLN 207 HE21 0.11 0.33 0.13 -0.04 6.97 7.50 2v7nG1 GLN 207 HE22 -0.11 0.43 0.09 -0.04 7.69 8.06 2v7nG1 ASP 208 H -0.31 0.58 0.20 -0.55 8.40 8.32 2v7nG1 ASP 208 HA -0.10 0.10 0.42 -0.75 4.63 4.29 2v7nG1 ASP 208 HB2 -0.12 0.18 0.16 -0.04 2.71 2.89 2v7nG1 ASP 208 HB3 -0.13 -0.25 0.24 -0.04 2.70 2.52 2v7nG1 SER 209 H -0.06 0.19 0.24 -0.55 8.46 8.27 2v7nG1 SER 209 HA -0.06 0.14 0.38 -0.75 4.49 4.20 2v7nG1 SER 209 HB2 -0.03 0.03 0.04 -0.04 3.95 3.96 2v7nG1 SER 209 HB3 -0.03 0.07 0.14 -0.04 3.93 4.07 2v7nG1 LYS 210 H -0.06 -0.11 -0.40 -0.55 8.42 7.29 2v7nG1 LYS 210 HA -0.04 0.19 0.59 -0.75 4.32 4.31 2v7nG1 LYS 210 HB2 -0.04 -0.00 -0.01 -0.04 1.87 1.78 2v7nG1 LYS 210 HB3 -0.03 0.05 0.03 -0.04 1.79 1.80 2v7nG1 LYS 210 HG2 -0.03 0.05 -0.04 -0.04 1.46 1.39 2v7nG1 LYS 210 HG3 -0.04 -0.13 0.05 -0.04 1.46 1.30 2v7nG1 LYS 210 HD2 -0.02 0.04 -0.01 -0.04 1.69 1.66 2v7nG1 LYS 210 HD3 -0.02 0.01 0.00 -0.04 1.68 1.62 2v7nG1 LYS 210 HE2 -0.04 -0.08 0.01 -0.04 2.99 2.85 2v7nG1 LYS 210 HE3 -0.03 0.04 -0.03 -0.04 2.99 2.94 2v7nG1 ASP 211 H -0.08 -0.10 0.01 -0.55 8.40 7.68 2v7nG1 ASP 211 HA -0.07 0.30 0.93 -0.75 4.63 5.04 2v7nG1 ASP 211 HB2 -0.05 0.08 0.07 -0.04 2.71 2.77 2v7nG1 ASP 211 HB3 -0.04 0.00 -0.08 -0.04 2.70 2.54 2v7nG1 SER 212 H -0.13 0.45 0.04 -0.55 8.46 8.27 2v7nG1 SER 212 HA -0.22 0.08 0.24 -0.75 4.49 3.83 2v7nG1 SER 212 HB2 -0.20 0.26 -0.24 -0.04 3.95 3.73 2v7nG1 SER 212 HB3 -0.27 -0.01 0.10 -0.04 3.93 3.70 2v7nG1 THR 213 H -0.16 -0.12 -0.23 -0.55 8.28 7.21 2v7nG1 THR 213 HA -0.05 0.35 0.94 -0.75 4.39 4.87 2v7nG1 THR 213 HB -0.10 0.13 -0.19 -0.04 4.32 4.12 2v7nG1 THR 213 HG23 -0.02 0.04 -0.30 -0.04 1.22 0.91 2v7nG1 TYR 214 H -0.24 0.83 0.29 -0.55 8.29 8.62 2v7nG1 TYR 214 HA -0.21 0.19 0.95 -0.75 4.56 4.73 2v7nG1 TYR 214 HB2 -0.84 0.03 -0.04 -0.04 3.06 2.18 2v7nG1 TYR 214 HB3 -0.26 0.04 0.06 -0.04 2.98 2.77 2v7nG1 TYR 214 HD2 -0.05 0.21 -0.09 -0.04 7.15 7.19 2v7nG1 TYR 214 HE2 0.12 -0.02 -0.02 -0.04 6.85 6.88 2v7nG1 SER 215 H -0.02 0.22 0.25 -0.55 8.46 8.37 2v7nG1 SER 215 HA 0.12 0.29 0.82 -0.75 4.49 4.97 2v7nG1 SER 215 HB2 0.04 -0.04 0.09 -0.04 3.95 4.00 2v7nG1 SER 215 HB3 0.11 0.13 0.19 -0.04 3.93 4.32 2v7nG1 LEU 216 H 0.33 0.59 0.38 -0.55 8.37 9.13 2v7nG1 LEU 216 HA 0.17 0.28 1.16 -0.75 4.35 5.21 2v7nG1 LEU 216 HB2 0.41 -0.00 -0.18 -0.04 1.64 1.82 2v7nG1 LEU 216 HB3 0.22 -0.07 0.02 -0.04 1.64 1.77 2v7nG1 LEU 216 HG 0.12 0.25 0.09 -0.04 1.64 2.07 2v7nG1 LEU 216 HD13 0.09 -0.01 -0.09 -0.04 0.93 0.88 2v7nG1 LEU 216 HD23 0.06 -0.05 -0.42 -0.04 0.89 0.44 2v7nG1 SER 217 H 0.12 0.63 0.41 -0.55 8.46 9.07 2v7nG1 SER 217 HA 0.15 0.29 1.13 -0.75 4.49 5.30 2v7nG1 SER 217 HB2 0.12 0.03 0.01 -0.04 3.95 4.07 2v7nG1 SER 217 HB3 0.10 -0.03 0.01 -0.04 3.93 3.97 2v7nG1 SER 218 H 0.20 0.85 0.35 -0.55 8.46 9.32 2v7nG1 SER 218 HA 0.20 0.25 0.98 -0.75 4.49 5.16 2v7nG1 SER 218 HB2 0.11 0.00 -0.03 -0.04 3.95 3.99 2v7nG1 SER 218 HB3 0.18 -0.06 0.11 -0.04 3.93 4.12 2v7nG1 THR 219 H 0.18 0.77 0.26 -0.55 8.28 8.95 2v7nG1 THR 219 HA 0.16 0.28 1.12 -0.75 4.39 5.20 2v7nG1 THR 219 HB 0.04 -0.03 0.14 -0.04 4.32 4.43 2v7nG1 THR 219 HG23 -0.01 0.00 -0.17 -0.04 1.22 1.00 2v7nG1 LEU 220 H -0.35 0.82 0.35 -0.55 8.37 8.64 2v7nG1 LEU 220 HA -0.37 0.20 0.93 -0.75 4.35 4.35 2v7nG1 LEU 220 HB2 -2.52 -0.04 -0.02 -0.04 1.64 -0.98 2v7nG1 LEU 220 HB3 -1.45 -0.01 0.16 -0.04 1.64 0.30 2v7nG1 LEU 220 HG -0.39 0.06 -0.33 -0.04 1.64 0.94 2v7nG1 LEU 220 HD13 -0.31 0.02 -0.16 -0.04 0.93 0.44 2v7nG1 LEU 220 HD23 -0.49 -0.02 -0.14 -0.04 0.89 0.21 2v7nG1 THR 221 H -0.16 0.72 0.34 -0.55 8.28 8.63 2v7nG1 THR 221 HA -0.13 0.23 1.09 -0.75 4.39 4.84 2v7nG1 THR 221 HB -0.06 0.02 0.14 -0.04 4.32 4.38 2v7nG1 THR 221 HG23 -0.05 -0.02 -0.10 -0.04 1.22 1.01 2v7nG1 LEU 222 H -0.09 0.75 0.40 -0.55 8.37 8.88 2v7nG1 LEU 222 HA -0.01 0.16 0.95 -0.75 4.35 4.70 2v7nG1 LEU 222 HB2 0.03 0.01 0.01 -0.04 1.64 1.65 2v7nG1 LEU 222 HB3 0.09 -0.08 0.07 -0.04 1.64 1.68 2v7nG1 LEU 222 HG -0.07 -0.02 -0.40 -0.04 1.64 1.11 2v7nG1 LEU 222 HD13 0.28 -0.00 -0.16 -0.04 0.93 1.01 2v7nG1 LEU 222 HD23 0.00 0.03 -0.07 -0.04 0.89 0.81 2v7nG1 SER 223 H 0.03 0.11 0.19 -0.55 8.46 8.24 2v7nG1 SER 223 HA 0.01 0.28 0.78 -0.75 4.49 4.81 2v7nG1 SER 223 HB2 0.03 0.05 0.21 -0.04 3.95 4.20 2v7nG1 SER 223 HB3 0.02 0.12 0.18 -0.04 3.93 4.21 2v7nG1 LYS 224 H 0.02 0.72 0.16 -0.55 8.42 8.77 2v7nG1 LYS 224 HA 0.08 0.07 0.27 -0.75 4.32 3.98 2v7nG1 LYS 224 HB2 0.02 -0.00 -0.09 -0.04 1.87 1.76 2v7nG1 LYS 224 HB3 0.03 -0.03 0.10 -0.04 1.79 1.86 2v7nG1 LYS 224 HG2 0.06 -0.05 -0.26 -0.04 1.46 1.17 2v7nG1 LYS 224 HG3 0.06 -0.02 -0.03 -0.04 1.46 1.43 2v7nG1 LYS 224 HD2 0.02 0.32 0.01 -0.04 1.69 2.00 2v7nG1 LYS 224 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.61 2v7nG1 LYS 224 HE2 0.03 -0.04 -0.08 -0.04 2.99 2.86 2v7nG1 LYS 224 HE3 0.04 -0.03 -0.09 -0.04 2.99 2.86 2v7nG1 ALA 225 H 0.05 0.09 -0.18 -0.55 8.40 7.81 2v7nG1 ALA 225 HA 0.06 0.12 0.25 -0.75 4.34 4.01 2v7nG1 ALA 225 HB3 0.04 0.01 0.03 -0.04 1.41 1.45 2v7nG1 ASP 226 H 0.09 -0.02 -0.24 -0.55 8.40 7.69 2v7nG1 ASP 226 HA 0.15 0.10 0.39 -0.75 4.63 4.53 2v7nG1 ASP 226 HB2 0.10 -0.14 0.17 -0.04 2.71 2.80 2v7nG1 ASP 226 HB3 0.14 0.07 -0.04 -0.04 2.70 2.82 2v7nG1 TYR 227 H 0.24 0.49 -0.23 -0.55 8.29 8.24 2v7nG1 TYR 227 HA 0.27 -0.01 0.29 -0.75 4.56 4.35 2v7nG1 TYR 227 HB2 0.02 -0.04 -0.02 -0.04 3.06 2.98 2v7nG1 TYR 227 HB3 0.04 0.13 0.05 -0.04 2.98 3.15 2v7nG1 TYR 227 HD2 -0.11 -0.01 -0.11 -0.04 7.15 6.89 2v7nG1 TYR 227 HE2 -0.49 -0.03 -0.08 -0.04 6.85 6.22 2v7nG1 GLU 228 H 0.15 0.42 -0.27 -0.55 8.60 8.36 2v7nG1 GLU 228 HA -0.10 0.07 0.30 -0.75 4.29 3.80 2v7nG1 GLU 228 HB2 0.07 0.06 0.06 -0.04 2.09 2.24 2v7nG1 GLU 228 HB3 0.03 -0.05 0.04 -0.04 1.99 1.97 2v7nG1 GLU 228 HG2 0.15 -0.04 -0.02 -0.04 2.34 2.39 2v7nG1 GLU 228 HG3 0.22 0.11 0.04 -0.04 2.34 2.67 2v7nG1 LYS 229 H 0.03 0.34 -0.46 -0.55 8.42 7.77 2v7nG1 LYS 229 HA -0.10 0.05 0.67 -0.75 4.32 4.18 2v7nG1 LYS 229 HB2 -0.06 -0.06 0.07 -0.04 1.87 1.77 2v7nG1 LYS 229 HB3 -0.06 0.19 0.14 -0.04 1.79 2.02 2v7nG1 LYS 229 HG2 -0.62 -0.01 -0.04 -0.04 1.46 0.74 2v7nG1 LYS 229 HG3 -0.21 -0.05 0.11 -0.04 1.46 1.27 2v7nG1 LYS 229 HD2 -0.08 -0.05 0.00 -0.04 1.69 1.52 2v7nG1 LYS 229 HD3 -0.05 -0.03 -0.01 -0.04 1.68 1.55 2v7nG1 LYS 229 HE2 0.05 0.12 -0.01 -0.04 2.99 3.11 2v7nG1 LYS 229 HE3 0.06 -0.05 -0.03 -0.04 2.99 2.94 2v7nG1 HIS 230 H 0.03 0.48 -0.24 -0.55 8.41 8.13 2v7nG1 HIS 230 HA -0.07 0.12 0.92 -0.75 4.63 4.85 2v7nG1 HIS 230 HB2 -0.06 0.10 -0.01 -0.04 3.26 3.26 2v7nG1 HIS 230 HB3 -0.27 -0.19 -0.03 -0.04 3.20 2.67 2v7nG1 HIS 230 HD2 -0.08 -0.06 0.01 -0.04 6.97 6.79 2v7nG1 HIS 230 HE1 0.00 -0.07 -0.05 -0.04 7.75 7.59 2v7nG1 LYS 231 H -0.02 0.01 0.19 -0.55 8.42 8.04 2v7nG1 LYS 231 HA 0.06 0.24 0.71 -0.75 4.32 4.58 2v7nG1 LYS 231 HB2 -0.01 0.05 0.04 -0.04 1.87 1.91 2v7nG1 LYS 231 HB3 -0.01 -0.04 0.08 -0.04 1.79 1.78 2v7nG1 LYS 231 HG2 0.04 0.08 0.06 -0.04 1.46 1.61 2v7nG1 LYS 231 HG3 0.01 0.03 -0.01 -0.04 1.46 1.45 2v7nG1 LYS 231 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.57 2v7nG1 LYS 231 HD3 0.06 -0.22 -0.08 -0.04 1.68 1.40 2v7nG1 LYS 231 HE2 0.03 -0.02 -0.04 -0.04 2.99 2.91 2v7nG1 LYS 231 HE3 0.05 -0.05 -0.08 -0.04 2.99 2.87 2v7nG1 VAL 232 H -0.16 -0.01 0.21 -0.55 8.24 7.73 2v7nG1 VAL 232 HA -0.06 0.33 1.04 -0.75 4.13 4.68 2v7nG1 VAL 232 HB -0.13 -0.17 0.19 -0.04 2.12 1.97 2v7nG1 VAL 232 HG13 -0.09 0.03 -0.19 -0.04 0.97 0.68 2v7nG1 VAL 232 HG23 -0.03 0.01 -0.04 -0.04 0.95 0.85 2v7nG1 TYR 233 H -0.24 0.71 0.39 -0.55 8.29 8.60 2v7nG1 TYR 233 HA -0.10 0.21 1.05 -0.75 4.56 4.97 2v7nG1 TYR 233 HB2 -1.83 0.00 0.10 -0.04 3.06 1.30 2v7nG1 TYR 233 HB3 -0.30 0.00 -0.03 -0.04 2.98 2.61 2v7nG1 TYR 233 HD2 -0.08 0.04 -0.18 -0.04 7.15 6.88 2v7nG1 TYR 233 HE2 -0.06 0.11 -0.22 -0.04 6.85 6.64 2v7nG1 ALA 234 H 0.11 0.69 0.36 -0.55 8.40 9.02 2v7nG1 ALA 234 HA -0.02 0.30 1.32 -0.75 4.34 5.19 2v7nG1 ALA 234 HB3 -0.05 -0.02 -0.14 -0.04 1.41 1.16 2v7nG1 CYS 235 H -0.13 0.91 0.38 -0.55 8.50 9.11 2v7nG1 CYS 235 HA -0.65 0.19 0.96 -0.75 4.58 4.33 2v7nG1 CYS 235 HB2 -1.01 -0.03 -0.03 -0.04 2.97 1.87 2v7nG1 CYS 235 HB3 -0.30 0.00 0.15 -0.04 2.97 2.78 2v7nG1 GLU 236 H -0.30 0.63 0.28 -0.55 8.60 8.66 2v7nG1 GLU 236 HA -0.13 0.24 0.81 -0.75 4.29 4.45 2v7nG1 GLU 236 HB2 -0.12 0.04 -0.02 -0.04 2.09 1.95 2v7nG1 GLU 236 HB3 -0.11 -0.09 0.02 -0.04 1.99 1.77 2v7nG1 GLU 236 HG2 -0.07 0.01 -0.19 -0.04 2.34 2.04 2v7nG1 GLU 236 HG3 -0.08 0.01 -0.18 -0.04 2.34 2.05 2v7nG1 VAL 237 H -0.12 0.64 0.26 -0.55 8.24 8.48 2v7nG1 VAL 237 HA -0.13 0.35 1.27 -0.75 4.13 4.86 2v7nG1 VAL 237 HB -0.12 -0.01 0.10 -0.04 2.12 2.05 2v7nG1 VAL 237 HG13 -0.15 -0.01 -0.29 -0.04 0.97 0.47 2v7nG1 VAL 237 HG23 -0.18 -0.01 -0.26 -0.04 0.95 0.47 2v7nG1 THR 238 H -0.08 0.79 0.37 -0.55 8.28 8.81 2v7nG1 THR 238 HA -0.04 0.15 0.97 -0.75 4.39 4.71 2v7nG1 THR 238 HB -0.05 -0.10 0.14 -0.04 4.32 4.27 2v7nG1 THR 238 HG23 -0.04 0.01 -0.07 -0.04 1.22 1.08 2v7nG1 HIS 239 H 0.00 0.39 0.16 -0.55 8.41 8.42 2v7nG1 HIS 239 HA -0.09 0.18 0.67 -0.75 4.63 4.64 2v7nG1 HIS 239 HB2 -0.18 0.10 -0.28 -0.04 3.26 2.86 2v7nG1 HIS 239 HB3 -0.09 -0.04 -0.08 -0.04 3.20 2.95 2v7nG1 HIS 239 HD2 -0.18 0.20 -0.01 -0.04 6.97 6.93 2v7nG1 HIS 239 HE1 0.12 0.26 -0.29 -0.04 7.75 7.79 2v7nG1 GLN 240 H -1.09 0.27 0.14 -0.55 8.47 7.24 2v7nG1 GLN 240 HA -0.15 0.13 0.35 -0.75 4.36 3.93 2v7nG1 GLN 240 HB2 -0.38 0.01 0.15 -0.04 2.15 1.89 2v7nG1 GLN 240 HB3 -0.26 0.05 0.06 -0.04 2.02 1.82 2v7nG1 GLN 240 HG2 -0.07 0.03 0.08 -0.04 2.40 2.40 2v7nG1 GLN 240 HG3 -0.11 -0.01 0.05 -0.04 2.39 2.28 2v7nG1 GLN 240 HE21 0.01 -0.01 0.02 -0.04 6.97 6.95 2v7nG1 GLN 240 HE22 -0.01 0.02 -0.00 -0.04 7.69 7.65 2v7nG1 GLY 241 H 0.26 0.07 -0.23 -0.55 8.43 7.98 2v7nG1 GLY 241 HA2 0.09 0.12 0.44 -0.51 4.01 4.15 2v7nG1 GLY 241 HA3 0.23 -0.04 0.17 -0.51 4.01 3.86 2v7nG1 LEU 242 H 0.08 0.33 -0.54 -0.55 8.37 7.70 2v7nG1 LEU 242 HA 0.02 0.07 0.85 -0.75 4.35 4.54 2v7nG1 LEU 242 HB2 0.02 -0.02 0.11 -0.04 1.64 1.71 2v7nG1 LEU 242 HB3 -0.01 0.21 0.06 -0.04 1.64 1.87 2v7nG1 LEU 242 HG 0.07 -0.18 -0.20 -0.04 1.64 1.28 2v7nG1 LEU 242 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.77 2v7nG1 LEU 242 HD23 -0.02 0.06 -0.03 -0.04 0.89 0.85 2v7nG1 SER 243 H 0.00 0.15 0.15 -0.55 8.46 8.21 2v7nG1 SER 243 HA -0.01 0.07 0.33 -0.75 4.49 4.13 2v7nG1 SER 243 HB2 -0.01 -0.00 0.01 -0.04 3.95 3.91 2v7nG1 SER 243 HB3 -0.00 0.01 0.11 -0.04 3.93 4.01 2v7nG1 SER 244 H -0.01 0.17 -0.25 -0.55 8.46 7.81 2v7nG1 SER 244 HA -0.02 0.13 0.57 -0.75 4.49 4.41 2v7nG1 SER 244 HB2 -0.02 -0.08 -0.21 -0.04 3.95 3.60 2v7nG1 SER 244 HB3 -0.02 0.06 -0.12 -0.04 3.93 3.81 2v7nG1 PRO 245 HA -0.05 0.29 0.65 -0.51 4.44 4.82 2v7nG1 PRO 245 HB2 -0.05 -0.04 -0.08 -0.04 2.28 2.07 2v7nG1 PRO 245 HB3 -0.05 0.00 -0.17 -0.04 2.02 1.75 2v7nG1 PRO 245 HG2 -0.04 0.01 0.01 -0.04 2.03 1.98 2v7nG1 PRO 245 HG3 -0.04 0.02 0.02 -0.04 2.03 1.99 2v7nG1 PRO 245 HD2 -0.03 0.08 0.17 -0.04 3.68 3.86 2v7nG1 PRO 245 HD3 -0.03 0.15 0.17 -0.04 3.65 3.90 2v7nG1 VAL 246 H -0.07 0.50 0.40 -0.55 8.24 8.52 2v7nG1 VAL 246 HA -0.06 0.17 0.95 -0.75 4.13 4.45 2v7nG1 VAL 246 HB -0.09 -0.04 0.15 -0.04 2.12 2.11 2v7nG1 VAL 246 HG13 -0.09 -0.02 -0.22 -0.04 0.97 0.60 2v7nG1 VAL 246 HG23 -0.05 0.03 0.01 -0.04 0.95 0.89 2v7nG1 THR 247 H -0.06 0.18 0.16 -0.55 8.28 8.01 2v7nG1 THR 247 HA -0.10 0.39 1.11 -0.75 4.39 5.04 2v7nG1 THR 247 HB -0.05 -0.03 0.09 -0.04 4.32 4.29 2v7nG1 THR 247 HG23 -0.06 -0.02 -0.28 -0.04 1.22 0.82 2v7nG1 LYS 248 H -0.11 0.66 0.31 -0.55 8.42 8.73 2v7nG1 LYS 248 HA -0.05 0.17 0.84 -0.75 4.32 4.52 2v7nG1 LYS 248 HB2 -0.08 -0.06 0.01 -0.04 1.87 1.71 2v7nG1 LYS 248 HB3 -0.05 -0.01 0.04 -0.04 1.79 1.73 2v7nG1 LYS 248 HG2 -0.12 -0.03 -0.29 -0.04 1.46 0.98 2v7nG1 LYS 248 HG3 -0.14 -0.09 -0.36 -0.04 1.46 0.83 2v7nG1 LYS 248 HD2 -0.19 0.09 0.06 -0.04 1.69 1.60 2v7nG1 LYS 248 HD3 -0.10 -0.01 0.12 -0.04 1.68 1.65 2v7nG1 LYS 248 HE2 -0.14 -0.07 -0.10 -0.04 2.99 2.64 2v7nG1 LYS 248 HE3 -0.25 0.10 0.12 -0.04 2.99 2.92 2v7nG1 SER 249 H 0.01 0.29 0.20 -0.55 8.46 8.42 2v7nG1 SER 249 HA 0.00 0.24 0.99 -0.75 4.49 4.97 2v7nG1 SER 249 HB2 -0.05 0.08 0.07 -0.04 3.95 4.01 2v7nG1 SER 249 HB3 -0.04 -0.06 -0.19 -0.04 3.93 3.60 2v7nG1 PHE 250 H -0.22 0.55 0.39 -0.55 8.34 8.50 2v7nG1 PHE 250 HA 0.06 0.12 0.60 -0.75 4.62 4.65 2v7nG1 PHE 250 HB2 0.09 0.05 0.09 -0.04 3.15 3.34 2v7nG1 PHE 250 HB3 0.07 0.07 0.01 -0.04 3.06 3.18 2v7nG1 PHE 250 HD2 0.14 0.02 -0.39 -0.04 7.28 7.01 2v7nG1 PHE 250 HE2 0.12 0.03 -0.23 -0.04 7.38 7.26 2v7nG1 PHE 250 HZ -0.08 0.00 -0.05 -0.04 7.32 7.15 2v7nG1 ASN 251 H 0.23 0.21 0.17 -0.55 8.53 8.59 2v7nG1 ASN 251 HA 0.13 0.18 0.92 -0.75 4.76 5.24 2v7nG1 ASN 251 HB2 0.10 -0.01 0.13 -0.04 2.88 3.06 2v7nG1 ASN 251 HB3 0.08 0.08 0.01 -0.04 2.79 2.91 2v7nG1 ASN 251 HD21 0.03 0.00 -0.06 -0.04 7.03 6.96 2v7nG1 ASN 251 HD22 0.05 0.02 -0.01 -0.04 7.74 7.76 2v7nG1 ARG 252 H 0.21 0.73 0.24 -0.55 8.46 9.09 2v7nG1 ARG 252 HA 0.27 0.07 0.19 -0.75 4.34 4.12 2v7nG1 ARG 252 HB2 0.18 0.17 0.27 -0.04 1.90 2.47 2v7nG1 ARG 252 HB3 0.07 -0.01 0.12 -0.04 1.80 1.94 2v7nG1 ARG 252 HG2 0.11 -0.05 0.04 -0.04 1.67 1.73 2v7nG1 ARG 252 HG3 0.28 -0.05 -0.01 -0.04 1.67 1.85 2v7nG1 ARG 252 HD2 -0.23 -0.09 -0.03 -0.04 3.22 2.82 2v7nG1 ARG 252 HD3 -0.89 -0.01 -0.03 -0.04 3.22 2.24