============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 6 1.000 4.176 10.549 19.221 -99.200 -91.000 PHE 8 1.000 9.672 12.332 18.074 -99.200 -91.000 PHE 11 1.000 12.219 15.918 20.032 -99.200 -91.000 PHE 20 1.000 10.490 20.573 12.680 -99.200 -91.000 PHE 52 1.000 4.209 11.355 15.448 -99.200 -91.000 HIS 57 0.900 -10.680 7.245 16.158 -99.200 -91.000 TRP 59 1.040 -14.164 12.759 20.556 -99.200 -91.000 TRP6 59 1.020 -16.399 12.814 19.772 -99.200 -91.000 PHE 69 1.000 -4.502 12.723 26.327 -99.200 -91.000 PHE 73 1.000 5.517 17.943 28.293 -99.200 -91.000 PHE 75 1.000 9.232 22.863 30.214 -99.200 -91.000 PHE 90 1.000 0.557 17.425 25.213 -99.200 -91.000 PHE 91 1.000 -0.540 22.922 19.992 -99.200 -91.000 PHE 111 1.000 -5.874 30.010 23.604 -99.200 -91.000 PHE 129 1.000 4.527 22.867 31.884 -99.200 -91.000 PHE 132 1.000 6.117 39.375 31.096 -99.200 -91.000 TYR 133 0.840 4.442 36.844 37.317 -99.200 -91.000 TRP 140 1.040 -3.929 35.772 30.092 -99.200 -91.000 TRP6 140 1.020 -3.697 37.316 28.316 -99.200 -91.000 TYR 144 0.840 0.290 32.740 41.714 -99.200 -91.000 HIS 146 0.900 0.465 31.277 35.449 -99.200 -91.000 TRP 162 1.040 6.881 25.552 37.223 -99.200 -91.000 TRP6 162 1.020 7.398 26.735 35.235 -99.200 -91.000 PHE 176 1.000 -9.375 12.615 29.275 -99.200 -91.000 TYR 189 0.840 12.090 22.677 38.197 -99.200 -91.000 TYR 195 0.840 6.720 22.996 40.951 -99.200 -91.000 TYR 199 0.840 -11.316 21.828 34.383 -99.200 -91.000 TRP 210 1.040 -10.091 10.509 13.274 -99.200 -91.000 TRP6 210 1.020 -8.404 8.847 13.327 -99.200 -91.000 PHE 215 1.000 5.485 19.152 23.674 -99.200 -91.000 TYR 223 0.840 15.267 38.642 25.187 -99.200 -91.000 HIS 226 0.900 9.998 29.673 25.341 -99.200 -91.000 TRP 231 1.040 5.786 14.438 23.067 -99.200 -91.000 TRP6 231 1.020 5.113 15.069 20.885 -99.200 -91.000 PHE 233 1.000 -0.116 11.193 22.586 -99.200 -91.000 TYR 239 0.840 -15.742 -0.598 23.524 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ar6A1 GLN 1 HA 0.13 -0.08 0.25 -0.75 4.36 3.90 2ar6A1 GLN 1 HB2 0.12 0.13 -0.03 -0.04 2.15 2.33 2ar6A1 GLN 1 HB3 0.11 -0.01 0.11 -0.04 2.02 2.19 2ar6A1 GLN 1 HG2 0.20 -0.03 -0.03 -0.04 2.40 2.51 2ar6A1 GLN 1 HG3 0.15 -0.00 0.05 -0.04 2.39 2.55 2ar6A1 ASP 2 H 0.08 0.11 0.14 -0.55 8.40 8.19 2ar6A1 ASP 2 HA 0.03 0.14 0.53 -0.75 4.63 4.57 2ar6A1 ASP 2 HB2 0.04 -0.01 0.13 -0.04 2.71 2.83 2ar6A1 ASP 2 HB3 0.00 -0.02 0.08 -0.04 2.70 2.72 2ar6A1 SER 3 H 0.06 0.11 -0.00 -0.55 8.46 8.09 2ar6A1 SER 3 HA 0.04 0.00 1.06 -0.75 4.49 4.83 2ar6A1 SER 3 HB2 0.02 0.00 0.11 -0.04 3.95 4.03 2ar6A1 SER 3 HB3 0.02 0.00 0.02 -0.04 3.93 3.93 2ar6A1 LEU 4 H 0.05 0.55 0.35 -0.55 8.37 8.78 2ar6A1 LEU 4 HA 0.10 0.17 0.75 -0.75 4.35 4.61 2ar6A1 LEU 4 HB2 0.18 0.18 -0.18 -0.04 1.64 1.77 2ar6A1 LEU 4 HB3 0.20 -0.08 -0.01 -0.04 1.64 1.71 2ar6A1 LEU 4 HG 0.27 -0.10 -0.29 -0.04 1.64 1.47 2ar6A1 LEU 4 HD13 0.22 0.00 0.06 -0.04 0.93 1.17 2ar6A1 LEU 4 HD23 0.33 0.03 -0.18 -0.04 0.89 1.02 2ar6A1 SER 5 H 0.06 0.35 0.24 -0.55 8.46 8.56 2ar6A1 SER 5 HA -0.18 0.00 0.84 -0.75 4.49 4.40 2ar6A1 SER 5 HB2 -0.15 0.03 0.23 -0.04 3.95 4.02 2ar6A1 SER 5 HB3 -0.08 0.00 -0.04 -0.04 3.93 3.77 2ar6A1 PHE 6 H -0.57 0.58 0.44 -0.55 8.34 8.23 2ar6A1 PHE 6 HA -0.22 0.16 0.64 -0.75 4.62 4.45 2ar6A1 PHE 6 HB2 -0.55 0.05 0.10 -0.04 3.15 2.70 2ar6A1 PHE 6 HB3 -0.38 0.13 0.00 -0.04 3.06 2.77 2ar6A1 PHE 6 HD2 -0.56 0.03 -0.30 -0.04 7.28 6.42 2ar6A1 PHE 6 HE2 -1.50 0.04 -0.15 -0.04 7.38 5.73 2ar6A1 PHE 6 HZ -1.06 0.04 -0.09 -0.04 7.32 6.16 2ar6A1 GLY 7 H -0.16 0.31 0.21 -0.55 8.43 8.24 2ar6A1 GLY 7 HA2 -0.06 0.05 1.13 -0.51 4.01 4.61 2ar6A1 GLY 7 HA3 -0.09 0.03 0.37 -0.51 4.01 3.81 2ar6A1 PHE 8 H 0.20 0.79 0.32 -0.55 8.34 9.10 2ar6A1 PHE 8 HA -0.14 0.22 0.99 -0.75 4.62 4.93 2ar6A1 PHE 8 HB2 -0.19 -0.09 0.26 -0.04 3.15 3.08 2ar6A1 PHE 8 HB3 -1.04 0.20 0.04 -0.04 3.06 2.22 2ar6A1 PHE 8 HD2 -0.04 0.09 -0.02 -0.04 7.28 7.26 2ar6A1 PHE 8 HE2 -0.17 -0.03 -0.08 -0.04 7.38 7.06 2ar6A1 PHE 8 HZ 0.27 -0.02 -0.10 -0.04 7.32 7.43 2ar6A1 PRO 9 HA 0.05 -0.01 0.55 -0.51 4.44 4.51 2ar6A1 PRO 9 HB2 0.01 0.05 0.02 -0.04 2.28 2.32 2ar6A1 PRO 9 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 2ar6A1 PRO 9 HG2 -0.01 0.06 0.04 -0.04 2.03 2.08 2ar6A1 PRO 9 HG3 0.00 -0.04 -0.03 -0.04 2.03 1.92 2ar6A1 PRO 9 HD2 -0.03 0.14 0.21 -0.04 3.68 3.96 2ar6A1 PRO 9 HD3 -0.05 0.23 -0.22 -0.04 3.65 3.56 2ar6A1 THR 10 H -0.05 0.23 -0.03 -0.55 8.28 7.89 2ar6A1 THR 10 HA 0.06 0.41 0.64 -0.75 4.39 4.76 2ar6A1 THR 10 HB 0.10 0.07 0.17 -0.04 4.32 4.62 2ar6A1 THR 10 HG23 0.06 -0.02 -0.15 -0.04 1.22 1.07 2ar6A1 PHE 11 H 0.26 0.69 0.02 -0.55 8.34 8.76 2ar6A1 PHE 11 HA 0.22 0.21 0.92 -0.75 4.62 5.21 2ar6A1 PHE 11 HB2 0.08 -0.03 -0.35 -0.04 3.15 2.82 2ar6A1 PHE 11 HB3 0.11 0.02 -0.19 -0.04 3.06 2.95 2ar6A1 PHE 11 HD2 -0.01 0.10 -0.18 -0.04 7.28 7.15 2ar6A1 PHE 11 HE2 -0.51 -0.08 -0.39 -0.04 7.38 6.36 2ar6A1 PHE 11 HZ 0.13 -0.07 -0.23 -0.04 7.32 7.11 2ar6A1 PRO 12 HA 0.12 0.00 0.44 -0.51 4.44 4.49 2ar6A1 PRO 12 HB2 0.12 0.04 -0.05 -0.04 2.28 2.35 2ar6A1 PRO 12 HB3 0.09 0.01 0.08 -0.04 2.02 2.16 2ar6A1 PRO 12 HG2 0.08 0.07 0.00 -0.04 2.03 2.14 2ar6A1 PRO 12 HG3 0.09 0.04 -0.03 -0.04 2.03 2.08 2ar6A1 PRO 12 HD2 0.17 0.13 0.06 -0.04 3.68 4.00 2ar6A1 PRO 12 HD3 0.11 0.12 -0.46 -0.04 3.65 3.38 2ar6A1 SER 13 H 0.08 0.10 0.13 -0.55 8.46 8.23 2ar6A1 SER 13 HA 0.09 0.10 0.31 -0.75 4.49 4.23 2ar6A1 SER 13 HB2 0.04 -0.01 0.07 -0.04 3.95 4.02 2ar6A1 SER 13 HB3 0.03 0.07 0.07 -0.04 3.93 4.05 2ar6A1 ASP 14 H 0.09 -0.00 -0.36 -0.55 8.40 7.58 2ar6A1 ASP 14 HA 0.07 0.16 0.55 -0.75 4.63 4.66 2ar6A1 ASP 14 HB2 0.05 -0.02 0.05 -0.04 2.71 2.75 2ar6A1 ASP 14 HB3 0.07 -0.04 0.12 -0.04 2.70 2.81 2ar6A1 GLN 15 H 0.14 0.41 0.11 -0.55 8.47 8.59 2ar6A1 GLN 15 HA 0.20 0.09 0.79 -0.75 4.36 4.68 2ar6A1 GLN 15 HB2 0.34 0.08 0.06 -0.04 2.15 2.59 2ar6A1 GLN 15 HB3 0.29 -0.15 -0.03 -0.04 2.02 2.09 2ar6A1 GLN 15 HG2 0.28 0.22 -0.25 -0.04 2.40 2.61 2ar6A1 GLN 15 HG3 0.41 -0.04 -0.12 -0.04 2.39 2.59 2ar6A1 GLN 15 HE21 0.37 -0.05 -0.05 -0.04 6.97 7.19 2ar6A1 GLN 15 HE22 0.29 0.50 -0.23 -0.04 7.69 8.22 2ar6A1 LYS 16 H 0.14 -0.02 0.22 -0.55 8.42 8.20 2ar6A1 LYS 16 HA 0.07 0.31 1.05 -0.75 4.32 4.99 2ar6A1 LYS 16 HB2 0.03 -0.04 0.05 -0.04 1.87 1.87 2ar6A1 LYS 16 HB3 0.02 0.03 0.07 -0.04 1.79 1.86 2ar6A1 LYS 16 HG2 0.06 0.00 -0.26 -0.04 1.46 1.22 2ar6A1 LYS 16 HG3 0.03 0.00 -0.05 -0.04 1.46 1.40 2ar6A1 LYS 16 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.65 2ar6A1 LYS 16 HD3 0.05 0.20 -0.17 -0.04 1.68 1.72 2ar6A1 LYS 16 HE2 0.04 0.01 -0.19 -0.04 2.99 2.81 2ar6A1 LYS 16 HE3 0.03 -0.02 -0.06 -0.04 2.99 2.90 2ar6A1 ASN 17 H 0.09 -0.03 0.15 -0.55 8.53 8.19 2ar6A1 ASN 17 HA -0.17 0.33 0.94 -0.75 4.76 5.10 2ar6A1 ASN 17 HB2 -0.00 -0.00 0.13 -0.04 2.88 2.97 2ar6A1 ASN 17 HB3 -0.75 -0.10 0.27 -0.04 2.79 2.17 2ar6A1 ASN 17 HD21 -0.00 0.06 0.02 -0.04 7.03 7.06 2ar6A1 ASN 17 HD22 0.05 -0.01 0.05 -0.04 7.74 7.79 2ar6A1 LEU 18 H 0.01 0.16 -0.26 -0.55 8.37 7.73 2ar6A1 LEU 18 HA -0.14 0.29 1.07 -0.75 4.35 4.81 2ar6A1 LEU 18 HB2 -0.22 -0.02 -0.03 -0.04 1.64 1.32 2ar6A1 LEU 18 HB3 -0.70 0.06 -0.14 -0.04 1.64 0.82 2ar6A1 LEU 18 HG 0.21 -0.15 -0.22 -0.04 1.64 1.44 2ar6A1 LEU 18 HD13 -0.04 0.01 -0.14 -0.04 0.93 0.72 2ar6A1 LEU 18 HD23 0.10 0.02 -0.13 -0.04 0.89 0.84 2ar6A1 ILE 19 H -0.20 0.71 0.26 -0.55 8.25 8.47 2ar6A1 ILE 19 HA -0.05 0.14 0.77 -0.75 4.18 4.28 2ar6A1 ILE 19 HB -0.10 -0.07 0.11 -0.04 1.89 1.79 2ar6A1 ILE 19 HG12 -0.07 0.02 -0.08 -0.04 1.49 1.32 2ar6A1 ILE 19 HG13 -0.13 -0.08 -0.25 -0.04 1.21 0.71 2ar6A1 ILE 19 HG23 -0.03 0.02 -0.19 -0.04 0.93 0.69 2ar6A1 ILE 19 HD13 -0.08 0.02 -0.11 -0.04 0.88 0.67 2ar6A1 PHE 20 H 0.19 0.20 0.11 -0.55 8.34 8.30 2ar6A1 PHE 20 HA -0.02 0.17 0.90 -0.75 4.62 4.91 2ar6A1 PHE 20 HB2 -0.02 -0.03 0.12 -0.04 3.15 3.18 2ar6A1 PHE 20 HB3 -0.02 0.20 -0.02 -0.04 3.06 3.17 2ar6A1 PHE 20 HD2 -0.03 0.05 -0.16 -0.04 7.28 7.10 2ar6A1 PHE 20 HE2 -0.03 -0.02 -0.17 -0.04 7.38 7.12 2ar6A1 PHE 20 HZ 0.02 -0.03 -0.11 -0.04 7.32 7.16 2ar6A1 GLN 21 H 0.08 0.65 0.38 -0.55 8.47 9.03 2ar6A1 GLN 21 HA 0.04 0.19 0.95 -0.75 4.36 4.79 2ar6A1 GLN 21 HB2 0.01 -0.07 0.01 -0.04 2.15 2.06 2ar6A1 GLN 21 HB3 0.00 -0.08 0.06 -0.04 2.02 1.95 2ar6A1 GLN 21 HG2 0.01 0.10 -0.24 -0.04 2.40 2.23 2ar6A1 GLN 21 HG3 0.01 0.01 -0.51 -0.04 2.39 1.86 2ar6A1 GLN 21 HE21 -0.00 0.50 0.07 -0.04 6.97 7.50 2ar6A1 GLN 21 HE22 -0.01 -0.03 -0.08 -0.04 7.69 7.53 2ar6A1 GLY 22 H 0.01 0.13 0.18 -0.55 8.43 8.21 2ar6A1 GLY 22 HA2 -0.01 0.00 0.42 -0.51 4.01 3.91 2ar6A1 GLY 22 HA3 -0.01 0.08 0.60 -0.51 4.01 4.18 2ar6A1 ASP 23 H -0.01 0.70 0.60 -0.55 8.40 9.14 2ar6A1 ASP 23 HA -0.01 0.16 0.64 -0.75 4.63 4.66 2ar6A1 ASP 23 HB2 -0.01 -0.02 0.05 -0.04 2.71 2.69 2ar6A1 ASP 23 HB3 -0.01 -0.03 0.12 -0.04 2.70 2.73 2ar6A1 ALA 24 H 0.04 0.13 -0.14 -0.55 8.40 7.88 2ar6A1 ALA 24 HA 0.03 0.27 0.44 -0.75 4.34 4.33 2ar6A1 ALA 24 HB3 0.12 -0.06 0.02 -0.04 1.41 1.45 2ar6A1 GLN 25 H 0.02 0.52 0.26 -0.55 8.47 8.72 2ar6A1 GLN 25 HA -0.31 0.06 0.48 -0.75 4.36 3.83 2ar6A1 GLN 25 HB2 -0.16 -0.04 0.11 -0.04 2.15 2.02 2ar6A1 GLN 25 HB3 -0.16 0.15 -0.09 -0.04 2.02 1.88 2ar6A1 GLN 25 HG2 -0.04 0.19 -0.14 -0.04 2.40 2.37 2ar6A1 GLN 25 HG3 -0.04 -0.08 -0.21 -0.04 2.39 2.02 2ar6A1 GLN 25 HE21 -0.04 -0.06 -0.04 -0.04 6.97 6.79 2ar6A1 GLN 25 HE22 -0.04 0.12 -0.08 -0.04 7.69 7.65 2ar6A1 ILE 26 H -0.17 0.17 0.16 -0.55 8.25 7.85 2ar6A1 ILE 26 HA 0.02 0.22 0.81 -0.75 4.18 4.48 2ar6A1 ILE 26 HB 0.00 -0.03 0.10 -0.04 1.89 1.93 2ar6A1 ILE 26 HG12 0.05 -0.07 -0.02 -0.04 1.49 1.40 2ar6A1 ILE 26 HG13 0.19 0.09 -0.08 -0.04 1.21 1.36 2ar6A1 ILE 26 HG23 0.11 -0.02 -0.32 -0.04 0.93 0.66 2ar6A1 ILE 26 HD13 0.19 0.00 -0.24 -0.04 0.88 0.79 2ar6A1 LYS 27 H 0.03 0.74 0.27 -0.55 8.42 8.91 2ar6A1 LYS 27 HA 0.02 0.05 0.66 -0.75 4.32 4.29 2ar6A1 LYS 27 HB2 0.01 -0.01 -0.06 -0.04 1.87 1.78 2ar6A1 LYS 27 HB3 0.02 0.00 -0.07 -0.04 1.79 1.70 2ar6A1 LYS 27 HG2 -0.01 0.01 0.08 -0.04 1.46 1.50 2ar6A1 LYS 27 HG3 -0.01 0.04 -0.41 -0.04 1.46 1.04 2ar6A1 ASN 28 H 0.04 0.15 0.11 -0.55 8.53 8.28 2ar6A1 ASN 28 HA 0.05 0.02 0.34 -0.75 4.76 4.41 2ar6A1 ASN 28 HB2 0.04 0.15 -0.04 -0.04 2.88 2.99 2ar6A1 ASN 28 HB3 0.04 0.01 0.14 -0.04 2.79 2.95 2ar6A1 ASN 28 HD21 0.02 0.05 -0.09 -0.04 7.03 6.96 2ar6A1 ASN 28 HD22 0.03 0.05 -0.20 -0.04 7.74 7.58 2ar6A1 ASN 29 H 0.08 0.02 -0.14 -0.55 8.53 7.94 2ar6A1 ASN 29 HA 0.15 0.25 0.11 -0.75 4.76 4.52 2ar6A1 ASN 29 HB2 0.09 0.21 -0.10 -0.04 2.88 3.04 2ar6A1 ASN 29 HB3 0.12 -0.11 0.12 -0.04 2.79 2.88 2ar6A1 ASN 29 HD21 0.05 -0.00 -0.07 -0.04 7.03 6.97 2ar6A1 ASN 29 HD22 0.06 0.07 -0.12 -0.04 7.74 7.71 2ar6A1 ALA 30 H 0.11 0.27 -0.36 -0.55 8.40 7.87 2ar6A1 ALA 30 HA 0.27 0.15 0.79 -0.75 4.34 4.79 2ar6A1 ALA 30 HB3 0.09 0.03 -0.11 -0.04 1.41 1.38 2ar6A1 VAL 31 H -0.18 0.61 0.25 -0.55 8.24 8.36 2ar6A1 VAL 31 HA -0.09 0.20 0.82 -0.75 4.13 4.31 2ar6A1 VAL 31 HB -0.46 -0.10 0.13 -0.04 2.12 1.65 2ar6A1 VAL 31 HG13 -0.12 -0.01 -0.33 -0.04 0.97 0.48 2ar6A1 VAL 31 HG23 -0.99 0.01 -0.16 -0.04 0.95 -0.24 2ar6A1 GLN 32 H -0.02 0.86 0.29 -0.55 8.47 9.05 2ar6A1 GLN 32 HA 0.01 0.05 0.76 -0.75 4.36 4.43 2ar6A1 GLN 32 HB2 -0.00 0.07 0.13 -0.04 2.15 2.31 2ar6A1 GLN 32 HB3 0.02 0.10 -0.03 -0.04 2.02 2.07 2ar6A1 GLN 32 HG2 0.01 0.03 -0.11 -0.04 2.40 2.28 2ar6A1 GLN 32 HG3 0.01 0.00 -0.09 -0.04 2.39 2.27 2ar6A1 GLN 32 HE21 0.04 -0.06 -0.14 -0.04 6.97 6.77 2ar6A1 GLN 32 HE22 0.03 0.13 -0.17 -0.04 7.69 7.64 2ar6A1 LEU 33 H 0.00 0.57 0.19 -0.55 8.37 8.58 2ar6A1 LEU 33 HA -0.01 0.02 0.32 -0.75 4.35 3.92 2ar6A1 LEU 33 HB2 -0.01 0.01 0.08 -0.04 1.64 1.68 2ar6A1 LEU 33 HB3 -0.06 0.04 -0.09 -0.04 1.64 1.48 2ar6A1 LEU 33 HG -0.12 0.03 -0.11 -0.04 1.64 1.41 2ar6A1 LEU 33 HD13 -0.11 -0.03 -0.23 -0.04 0.93 0.52 2ar6A1 LEU 33 HD23 -0.07 0.01 -0.25 -0.04 0.89 0.53 2ar6A1 THR 34 H 0.08 0.02 -0.12 -0.55 8.28 7.71 2ar6A1 THR 34 HA 0.01 0.13 0.66 -0.75 4.39 4.44 2ar6A1 THR 34 HB 0.10 0.09 -0.06 -0.04 4.32 4.40 2ar6A1 THR 34 HG23 -0.04 -0.02 -0.36 -0.04 1.22 0.76 2ar6A1 LYS 35 H 0.01 0.01 0.01 -0.55 8.42 7.90 2ar6A1 LYS 35 HA -0.00 0.15 0.31 -0.75 4.32 4.02 2ar6A1 LYS 35 HB2 -0.01 -0.02 0.11 -0.04 1.87 1.91 2ar6A1 LYS 35 HB3 -0.02 -0.03 -0.01 -0.04 1.79 1.69 2ar6A1 LYS 35 HG2 -0.03 0.05 -0.19 -0.04 1.46 1.25 2ar6A1 LYS 35 HG3 -0.02 0.05 0.05 -0.04 1.46 1.50 2ar6A1 LYS 35 HD2 -0.03 -0.01 -0.07 -0.04 1.69 1.54 2ar6A1 LYS 35 HD3 -0.03 -0.00 -0.04 -0.04 1.68 1.57 2ar6A1 THR 36 H -0.01 0.28 0.18 -0.55 8.28 8.18 2ar6A1 THR 36 HA -0.02 0.21 0.71 -0.75 4.39 4.53 2ar6A1 THR 36 HB -0.00 -0.13 -0.32 -0.04 4.32 3.82 2ar6A1 THR 36 HG23 0.02 0.02 -0.38 -0.04 1.22 0.84 2ar6A1 ASP 37 H -0.03 0.47 0.16 -0.55 8.40 8.45 2ar6A1 ASP 37 HA -0.03 0.22 0.65 -0.75 4.63 4.72 2ar6A1 ASP 37 HB2 -0.03 -0.10 0.20 -0.04 2.71 2.74 2ar6A1 ASP 37 HB3 -0.05 0.11 0.05 -0.04 2.70 2.77 2ar6A1 SER 38 H -0.02 0.17 0.15 -0.55 8.46 8.22 2ar6A1 SER 38 HA -0.01 0.15 0.38 -0.75 4.49 4.25 2ar6A1 SER 38 HB2 -0.01 0.06 0.05 -0.04 3.95 4.01 2ar6A1 SER 38 HB3 -0.01 0.04 0.13 -0.04 3.93 4.05 2ar6A1 ASN 39 H -0.01 -0.01 -0.27 -0.55 8.53 7.70 2ar6A1 ASN 39 HA 0.00 0.21 0.60 -0.75 4.76 4.81 2ar6A1 ASN 39 HB2 -0.00 -0.04 -0.07 -0.04 2.88 2.73 2ar6A1 ASN 39 HB3 0.00 0.06 0.09 -0.04 2.79 2.90 2ar6A1 ASN 39 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.97 2ar6A1 ASN 39 HD22 0.00 0.06 -0.02 -0.04 7.74 7.73 2ar6A1 GLY 40 H -0.00 0.45 -0.52 -0.55 8.43 7.81 2ar6A1 GLY 40 HA2 0.00 0.09 0.17 -0.51 4.01 3.76 2ar6A1 GLY 40 HA3 0.01 0.12 0.46 -0.51 4.01 4.08 2ar6A1 ASN 41 H -0.01 -0.10 -0.15 -0.55 8.53 7.73 2ar6A1 ASN 41 HA 0.02 0.23 0.71 -0.75 4.76 4.96 2ar6A1 ASN 41 HB2 -0.02 -0.14 0.01 -0.04 2.88 2.70 2ar6A1 ASN 41 HB3 0.00 0.12 -0.00 -0.04 2.79 2.87 2ar6A1 ASN 41 HD21 0.01 0.04 -0.06 -0.04 7.03 6.98 2ar6A1 ASN 41 HD22 0.01 -0.02 -0.04 -0.04 7.74 7.65 2ar6A1 PRO 42 HA -0.00 0.27 0.50 -0.51 4.44 4.69 2ar6A1 PRO 42 HB2 0.18 0.00 -0.21 -0.04 2.28 2.21 2ar6A1 PRO 42 HB3 0.08 -0.00 -0.24 -0.04 2.02 1.81 2ar6A1 PRO 42 HG2 0.29 -0.00 -0.02 -0.04 2.03 2.26 2ar6A1 PRO 42 HG3 0.15 0.06 0.12 -0.04 2.03 2.32 2ar6A1 PRO 42 HD2 0.06 0.05 0.20 -0.04 3.68 3.96 2ar6A1 PRO 42 HD3 0.05 0.18 0.16 -0.04 3.65 4.01 2ar6A1 VAL 43 H -0.07 0.43 0.15 -0.55 8.24 8.19 2ar6A1 VAL 43 HA -0.53 0.13 0.78 -0.75 4.13 3.76 2ar6A1 VAL 43 HB -0.16 -0.01 0.02 -0.04 2.12 1.93 2ar6A1 VAL 43 HG13 -0.11 0.01 -0.28 -0.04 0.97 0.54 2ar6A1 VAL 43 HG23 -0.06 0.08 -0.30 -0.04 0.95 0.62 2ar6A1 ALA 44 H -0.28 0.09 0.06 -0.55 8.40 7.72 2ar6A1 ALA 44 HA 0.08 0.12 0.44 -0.75 4.34 4.22 2ar6A1 ALA 44 HB3 0.08 0.04 0.05 -0.04 1.41 1.53 2ar6A1 SER 45 H 0.03 0.52 0.09 -0.55 8.46 8.55 2ar6A1 SER 45 HA 0.00 0.00 0.53 -0.75 4.49 4.27 2ar6A1 SER 45 HB2 -0.01 0.00 -0.00 -0.04 3.95 3.90 2ar6A1 SER 45 HB3 -0.01 0.00 0.13 -0.04 3.93 4.02 2ar6A1 THR 46 H 0.01 0.44 0.34 -0.55 8.28 8.52 2ar6A1 THR 46 HA -0.01 0.15 0.78 -0.75 4.39 4.56 2ar6A1 THR 46 HB -0.01 0.20 -0.12 -0.04 4.32 4.36 2ar6A1 THR 46 HG23 0.03 0.00 -0.11 -0.04 1.22 1.10 2ar6A1 VAL 47 H -0.02 0.30 0.30 -0.55 8.24 8.27 2ar6A1 VAL 47 HA -0.06 0.27 1.02 -0.75 4.13 4.61 2ar6A1 VAL 47 HB -0.04 -0.03 0.06 -0.04 2.12 2.07 2ar6A1 VAL 47 HG13 -0.08 0.04 -0.10 -0.04 0.97 0.80 2ar6A1 VAL 47 HG23 -0.04 -0.04 -0.22 -0.04 0.95 0.61 2ar6A1 GLY 48 H -0.07 0.58 0.36 -0.55 8.43 8.74 2ar6A1 GLY 48 HA2 -0.01 0.10 0.94 -0.51 4.01 4.53 2ar6A1 GLY 48 HA3 -0.01 0.45 0.52 -0.51 4.01 4.45 2ar6A1 ARG 49 H 0.01 0.62 0.43 -0.55 8.46 8.96 2ar6A1 ARG 49 HA 0.00 0.17 0.96 -0.75 4.34 4.71 2ar6A1 ARG 49 HB2 0.03 -0.04 -0.08 -0.04 1.90 1.78 2ar6A1 ARG 49 HB3 0.11 0.13 0.11 -0.04 1.80 2.11 2ar6A1 ARG 49 HG2 -0.10 0.05 -0.33 -0.04 1.67 1.24 2ar6A1 ARG 49 HG3 -0.06 -0.11 -0.29 -0.04 1.67 1.17 2ar6A1 ARG 49 HD2 -0.39 -0.02 -0.16 -0.04 3.22 2.61 2ar6A1 ARG 49 HD3 -0.22 0.17 -0.08 -0.04 3.22 3.06 2ar6A1 ILE 50 H 0.02 0.48 0.41 -0.55 8.25 8.60 2ar6A1 ILE 50 HA -0.16 0.45 0.97 -0.75 4.18 4.69 2ar6A1 ILE 50 HB -0.31 0.01 -0.01 -0.04 1.89 1.54 2ar6A1 ILE 50 HG12 -0.12 -0.03 0.02 -0.04 1.49 1.32 2ar6A1 ILE 50 HG13 -0.08 -0.09 -0.07 -0.04 1.21 0.93 2ar6A1 ILE 50 HG23 -0.24 -0.01 -0.21 -0.04 0.93 0.42 2ar6A1 ILE 50 HD13 -0.28 -0.01 -0.14 -0.04 0.88 0.41 2ar6A1 LEU 51 H -0.14 0.48 0.32 -0.55 8.37 8.48 2ar6A1 LEU 51 HA -0.07 0.19 0.92 -0.75 4.35 4.64 2ar6A1 LEU 51 HB2 -0.08 -0.03 -0.02 -0.04 1.64 1.46 2ar6A1 LEU 51 HB3 -0.09 0.10 -0.02 -0.04 1.64 1.58 2ar6A1 LEU 51 HG -0.03 -0.11 -0.54 -0.04 1.64 0.92 2ar6A1 LEU 51 HD13 -0.02 0.02 -0.18 -0.04 0.93 0.71 2ar6A1 LEU 51 HD23 -0.32 -0.01 -0.31 -0.04 0.89 0.20 2ar6A1 PHE 52 H 0.27 0.48 0.32 -0.55 8.34 8.85 2ar6A1 PHE 52 HA -0.05 0.12 0.77 -0.75 4.62 4.70 2ar6A1 PHE 52 HB2 -0.12 -0.06 0.11 -0.04 3.15 3.04 2ar6A1 PHE 52 HB3 -0.12 0.04 0.13 -0.04 3.06 3.07 2ar6A1 PHE 52 HD2 -0.19 0.11 -0.02 -0.04 7.28 7.14 2ar6A1 PHE 52 HE2 -0.17 -0.01 0.00 -0.04 7.38 7.16 2ar6A1 PHE 52 HZ -0.25 0.01 0.04 -0.04 7.32 7.08 2ar6A1 SER 53 H -0.86 0.59 0.32 -0.55 8.46 7.96 2ar6A1 SER 53 HA -0.21 0.10 0.28 -0.75 4.49 3.91 2ar6A1 SER 53 HB2 -0.22 0.00 -0.00 -0.04 3.95 3.69 2ar6A1 SER 53 HB3 -0.27 0.00 -0.08 -0.04 3.93 3.54 2ar6A1 ALA 54 H -0.71 -0.02 -0.05 -0.55 8.40 7.07 2ar6A1 ALA 54 HA -0.05 0.06 0.50 -0.75 4.34 4.10 2ar6A1 ALA 54 HB3 0.18 -0.00 0.05 -0.04 1.41 1.59 2ar6A1 GLN 55 H 0.04 0.07 0.19 -0.55 8.47 8.22 2ar6A1 GLN 55 HA 0.12 0.22 0.67 -0.75 4.36 4.62 2ar6A1 GLN 55 HB2 0.07 -0.06 0.07 -0.04 2.15 2.19 2ar6A1 GLN 55 HB3 0.30 -0.01 0.00 -0.04 2.02 2.27 2ar6A1 GLN 55 HG2 0.01 0.07 -0.05 -0.04 2.40 2.39 2ar6A1 GLN 55 HG3 -0.06 0.02 0.07 -0.04 2.39 2.39 2ar6A1 GLN 55 HE21 -0.18 -0.03 -0.02 -0.04 6.97 6.70 2ar6A1 GLN 55 HE22 -0.13 0.05 -0.00 -0.04 7.69 7.56 2ar6A1 VAL 56 H 0.18 0.73 0.35 -0.55 8.24 8.95 2ar6A1 VAL 56 HA 0.23 0.13 0.71 -0.75 4.13 4.44 2ar6A1 VAL 56 HB 0.06 -0.02 -0.02 -0.04 2.12 2.10 2ar6A1 VAL 56 HG13 0.18 -0.02 -0.34 -0.04 0.97 0.75 2ar6A1 VAL 56 HG23 0.05 0.01 -0.13 -0.04 0.95 0.84 2ar6A1 HIS 57 H -0.00 0.23 0.04 -0.55 8.41 8.13 2ar6A1 HIS 57 HA -1.19 0.16 0.71 -0.75 4.63 3.56 2ar6A1 HIS 57 HB2 -1.09 0.13 0.08 -0.04 3.26 2.35 2ar6A1 HIS 57 HB3 -0.45 -0.02 0.16 -0.04 3.20 2.84 2ar6A1 HIS 57 HD2 -1.35 0.22 -0.02 -0.04 6.97 5.79 2ar6A1 HIS 57 HE1 -0.12 -0.07 -0.07 -0.04 7.75 7.45 2ar6A1 LEU 58 H -0.17 0.61 0.30 -0.55 8.37 8.56 2ar6A1 LEU 58 HA 0.06 -0.04 0.43 -0.75 4.35 4.05 2ar6A1 LEU 58 HB2 0.05 -0.02 -0.06 -0.04 1.64 1.57 2ar6A1 LEU 58 HB3 0.15 0.20 0.01 -0.04 1.64 1.96 2ar6A1 LEU 58 HG 0.28 -0.08 -0.22 -0.04 1.64 1.57 2ar6A1 LEU 58 HD13 0.13 -0.03 -0.06 -0.04 0.93 0.93 2ar6A1 LEU 58 HD23 0.12 0.03 -0.17 -0.04 0.89 0.82 2ar6A1 TRP 59 H -0.31 0.48 0.20 -0.55 7.97 7.79 2ar6A1 TRP 59 HA -0.22 0.10 0.46 -0.75 4.62 4.21 2ar6A1 TRP 59 HB2 -0.08 0.11 0.12 -0.04 3.23 3.34 2ar6A1 TRP 59 HB3 -0.05 -0.02 0.02 -0.04 3.23 3.14 2ar6A1 TRP 59 HD1 -0.04 -0.07 -0.35 -0.04 7.22 6.71 2ar6A1 TRP 59 HE1 -0.00 0.51 -0.44 -0.04 10.20 10.22 2ar6A1 TRP 59 HE3 -0.03 0.04 -0.35 -0.04 7.59 7.20 2ar6A1 TRP 59 HZ2 0.02 0.14 0.03 -0.04 7.44 7.59 2ar6A1 TRP 59 HZ3 0.01 -0.02 -0.05 -0.04 7.13 7.03 2ar6A1 TRP 59 HH2 0.02 0.02 -0.01 -0.04 7.19 7.18 2ar6A1 GLU 60 H 0.07 0.72 0.17 -0.55 8.60 9.02 2ar6A1 GLU 60 HA -0.22 0.14 0.93 -0.75 4.29 4.39 2ar6A1 GLU 60 HB2 -0.50 0.10 -0.17 -0.04 2.09 1.48 2ar6A1 GLU 60 HB3 -0.15 -0.10 0.12 -0.04 1.99 1.81 2ar6A1 GLU 60 HG2 -0.01 -0.28 -0.09 -0.04 2.34 1.92 2ar6A1 GLU 60 HG3 0.04 0.08 0.04 -0.04 2.34 2.45 2ar6A1 LYS 61 H -0.14 0.20 0.11 -0.55 8.42 8.05 2ar6A1 LYS 61 HA 0.35 0.12 0.41 -0.75 4.32 4.46 2ar6A1 SER 62 H 0.05 0.05 -0.05 -0.55 8.46 7.96 2ar6A1 SER 62 HA 0.06 0.13 0.36 -0.75 4.49 4.28 2ar6A1 SER 62 HB2 0.05 0.07 0.03 -0.04 3.95 4.06 2ar6A1 SER 62 HB3 0.05 -0.01 0.10 -0.04 3.93 4.03 2ar6A1 SER 63 H 0.03 -0.00 -0.27 -0.55 8.46 7.67 2ar6A1 SER 63 HA 0.10 0.24 0.77 -0.75 4.49 4.84 2ar6A1 SER 63 HB2 0.03 0.04 0.05 -0.04 3.95 4.03 2ar6A1 SER 63 HB3 0.03 -0.02 -0.01 -0.04 3.93 3.88 2ar6A1 SER 64 H 0.07 0.29 -0.19 -0.55 8.46 8.08 2ar6A1 SER 64 HA 0.09 0.03 0.32 -0.75 4.49 4.18 2ar6A1 SER 64 HB2 0.08 0.01 -0.11 -0.04 3.95 3.89 2ar6A1 SER 64 HB3 0.10 0.26 0.09 -0.04 3.93 4.34 2ar6A1 ARG 65 H -0.06 0.04 -0.10 -0.55 8.46 7.78 2ar6A1 ARG 65 HA -0.13 0.28 0.90 -0.75 4.34 4.63 2ar6A1 ARG 65 HB2 -0.26 -0.13 -0.08 -0.04 1.90 1.39 2ar6A1 ARG 65 HB3 -0.27 -0.01 -0.19 -0.04 1.80 1.29 2ar6A1 ARG 65 HG2 -1.09 0.03 -0.37 -0.04 1.67 0.20 2ar6A1 ARG 65 HG3 -0.66 0.05 -0.32 -0.04 1.67 0.70 2ar6A1 ARG 65 HD2 -0.57 0.01 -0.37 -0.04 3.22 2.25 2ar6A1 ARG 65 HD3 -1.79 0.02 -0.16 -0.04 3.22 1.25 2ar6A1 VAL 66 H -0.03 0.62 0.35 -0.55 8.24 8.63 2ar6A1 VAL 66 HA 0.13 0.13 0.97 -0.75 4.13 4.61 2ar6A1 VAL 66 HB 0.08 -0.03 0.07 -0.04 2.12 2.21 2ar6A1 VAL 66 HG13 0.22 0.03 0.03 -0.04 0.97 1.21 2ar6A1 VAL 66 HG23 0.03 0.01 -0.21 -0.04 0.95 0.73 2ar6A1 ALA 67 H 0.14 0.83 0.33 -0.55 8.40 9.15 2ar6A1 ALA 67 HA 0.05 0.13 0.71 -0.75 4.34 4.48 2ar6A1 ALA 67 HB3 0.14 0.00 0.00 -0.04 1.41 1.51 2ar6A1 ASN 68 H 0.06 0.63 0.46 -0.55 8.53 9.13 2ar6A1 ASN 68 HA 0.00 0.22 0.91 -0.75 4.76 5.15 2ar6A1 ASN 68 HB2 -0.05 -0.02 0.23 -0.04 2.88 2.99 2ar6A1 ASN 68 HB3 -0.01 0.01 0.30 -0.04 2.79 3.05 2ar6A1 ASN 68 HD21 -0.11 -0.05 0.04 -0.04 7.03 6.86 2ar6A1 ASN 68 HD22 -0.13 -0.09 0.18 -0.04 7.74 7.67 2ar6A1 PHE 69 H -0.22 0.36 0.37 -0.55 8.34 8.29 2ar6A1 PHE 69 HA -0.17 0.24 1.04 -0.75 4.62 4.98 2ar6A1 PHE 69 HB2 -0.40 0.03 0.16 -0.04 3.15 2.89 2ar6A1 PHE 69 HB3 0.02 -0.01 -0.13 -0.04 3.06 2.90 2ar6A1 PHE 69 HD2 0.15 0.04 -0.30 -0.04 7.28 7.13 2ar6A1 PHE 69 HE2 0.12 0.01 -0.17 -0.04 7.38 7.31 2ar6A1 PHE 69 HZ 0.14 0.03 -0.15 -0.04 7.32 7.29 2ar6A1 GLN 70 H -0.24 0.56 0.44 -0.55 8.47 8.68 2ar6A1 GLN 70 HA 0.01 0.23 1.06 -0.75 4.36 4.91 2ar6A1 GLN 70 HB2 -0.08 0.03 -0.05 -0.04 2.15 2.01 2ar6A1 GLN 70 HB3 -0.12 -0.07 0.11 -0.04 2.02 1.90 2ar6A1 GLN 70 HG2 -0.03 -0.04 -0.32 -0.04 2.40 1.97 2ar6A1 GLN 70 HG3 -0.02 0.03 -0.03 -0.04 2.39 2.32 2ar6A1 GLN 70 HE21 -0.04 0.04 -0.08 -0.04 6.97 6.85 2ar6A1 GLN 70 HE22 -0.05 -0.06 -0.13 -0.04 7.69 7.41 2ar6A1 SER 71 H 0.12 0.75 0.41 -0.55 8.46 9.19 2ar6A1 SER 71 HA 0.25 0.26 1.19 -0.75 4.49 5.44 2ar6A1 SER 71 HB2 0.36 -0.01 -0.03 -0.04 3.95 4.23 2ar6A1 SER 71 HB3 -0.08 -0.05 0.17 -0.04 3.93 3.93 2ar6A1 GLN 72 H 0.29 0.61 0.41 -0.55 8.47 9.23 2ar6A1 GLN 72 HA 0.04 0.42 1.23 -0.75 4.36 5.30 2ar6A1 GLN 72 HB2 0.05 -0.03 0.00 -0.04 2.15 2.13 2ar6A1 GLN 72 HB3 0.12 -0.12 0.17 -0.04 2.02 2.14 2ar6A1 GLN 72 HG2 0.07 -0.05 -0.13 -0.04 2.40 2.25 2ar6A1 GLN 72 HG3 -0.01 0.15 0.08 -0.04 2.39 2.58 2ar6A1 GLN 72 HE21 -0.00 0.02 -0.07 -0.04 6.97 6.88 2ar6A1 GLN 72 HE22 -0.01 0.01 -0.09 -0.04 7.69 7.56 2ar6A1 PHE 73 H -0.23 0.63 0.44 -0.55 8.34 8.63 2ar6A1 PHE 73 HA 0.24 0.16 0.60 -0.75 4.62 4.87 2ar6A1 PHE 73 HB2 0.05 0.10 0.23 -0.04 3.15 3.49 2ar6A1 PHE 73 HB3 0.39 0.02 0.01 -0.04 3.06 3.43 2ar6A1 PHE 73 HD2 0.17 -0.05 -0.36 -0.04 7.28 7.00 2ar6A1 PHE 73 HE2 -0.08 0.01 -0.13 -0.04 7.38 7.14 2ar6A1 PHE 73 HZ 0.41 0.03 -0.09 -0.04 7.32 7.63 2ar6A1 SER 74 H 0.29 0.45 0.39 -0.55 8.46 9.04 2ar6A1 SER 74 HA -0.03 0.00 1.12 -0.75 4.49 4.83 2ar6A1 SER 74 HB2 0.00 0.02 0.00 -0.04 3.95 3.93 2ar6A1 SER 74 HB3 0.04 -0.01 -0.07 -0.04 3.93 3.84 2ar6A1 PHE 75 H -0.31 0.51 0.41 -0.55 8.34 8.40 2ar6A1 PHE 75 HA 0.03 0.26 0.97 -0.75 4.62 5.12 2ar6A1 PHE 75 HB2 -0.01 0.13 -0.01 -0.04 3.15 3.22 2ar6A1 PHE 75 HB3 -0.02 -0.05 -0.18 -0.04 3.06 2.77 2ar6A1 PHE 75 HD2 0.08 -0.00 -0.31 -0.04 7.28 7.00 2ar6A1 PHE 75 HE2 -0.53 0.00 -0.14 -0.04 7.38 6.67 2ar6A1 PHE 75 HZ -0.59 0.02 -0.09 -0.04 7.32 6.62 2ar6A1 SER 76 H 0.24 0.58 0.34 -0.55 8.46 9.07 2ar6A1 SER 76 HA 0.08 0.24 0.72 -0.75 4.49 4.77 2ar6A1 SER 76 HB2 0.08 0.01 -0.26 -0.04 3.95 3.74 2ar6A1 SER 76 HB3 0.05 -0.04 -0.34 -0.04 3.93 3.56 2ar6A1 LEU 77 H 0.16 0.30 0.17 -0.55 8.37 8.46 2ar6A1 LEU 77 HA 0.05 0.38 0.92 -0.75 4.35 4.95 2ar6A1 LEU 77 HB2 0.16 -0.04 -0.00 -0.04 1.64 1.72 2ar6A1 LEU 77 HB3 0.04 0.05 -0.04 -0.04 1.64 1.65 2ar6A1 LEU 77 HG 0.57 -0.07 -0.25 -0.04 1.64 1.84 2ar6A1 LEU 77 HD13 0.47 -0.00 -0.15 -0.04 0.93 1.20 2ar6A1 LEU 77 HD23 0.10 0.03 -0.12 -0.04 0.89 0.87 2ar6A1 LYS 78 H -0.00 0.30 0.25 -0.55 8.42 8.42 2ar6A1 LYS 78 HA 0.02 0.09 0.78 -0.75 4.32 4.46 2ar6A1 LYS 78 HB2 0.02 0.08 0.07 -0.04 1.87 2.01 2ar6A1 LYS 78 HB3 0.03 0.00 -0.14 -0.04 1.79 1.65 2ar6A1 SER 79 H 0.01 0.33 0.18 -0.55 8.46 8.44 2ar6A1 SER 79 HA 0.06 0.15 0.71 -0.75 4.49 4.66 2ar6A1 SER 79 HB2 0.00 0.01 0.10 -0.04 3.95 4.02 2ar6A1 SER 79 HB3 -0.01 -0.05 -0.06 -0.04 3.93 3.77 2ar6A1 PRO 80 HA 0.03 0.11 0.53 -0.51 4.44 4.59 2ar6A1 PRO 80 HB2 0.08 -0.02 0.04 -0.04 2.28 2.35 2ar6A1 PRO 80 HB3 0.05 0.05 0.10 -0.04 2.02 2.18 2ar6A1 PRO 80 HG2 0.12 0.07 0.07 -0.04 2.03 2.25 2ar6A1 PRO 80 HG3 0.06 0.06 0.05 -0.04 2.03 2.16 2ar6A1 PRO 80 HD2 0.19 0.08 0.21 -0.04 3.68 4.12 2ar6A1 PRO 80 HD3 0.11 0.13 0.19 -0.04 3.65 4.03 2ar6A1 LEU 81 H -0.03 0.02 -0.13 -0.55 8.37 7.68 2ar6A1 LEU 81 HA -0.04 0.15 0.41 -0.75 4.35 4.12 2ar6A1 LEU 81 HB2 -0.15 -0.02 -0.10 -0.04 1.64 1.33 2ar6A1 LEU 81 HB3 -0.11 -0.16 0.15 -0.04 1.64 1.47 2ar6A1 LEU 81 HG -0.24 0.02 0.06 -0.04 1.64 1.43 2ar6A1 LEU 81 HD13 -0.77 0.05 0.03 -0.04 0.93 0.20 2ar6A1 LEU 81 HD23 -0.08 0.03 -0.00 -0.04 0.89 0.79 2ar6A1 SER 82 H -0.04 0.02 0.17 -0.55 8.46 8.07 2ar6A1 SER 82 HA -0.01 0.27 0.82 -0.75 4.49 4.80 2ar6A1 SER 82 HB2 -0.01 0.10 -0.02 -0.04 3.95 3.97 2ar6A1 SER 82 HB3 -0.01 -0.03 0.05 -0.04 3.93 3.90 2ar6A1 ASN 83 H -0.04 -0.08 0.01 -0.55 8.53 7.87 2ar6A1 ASN 83 HA 0.04 0.00 0.87 -0.75 4.76 4.91 2ar6A1 ASN 83 HB2 0.02 0.00 0.15 -0.04 2.88 3.00 2ar6A1 ASN 83 HB3 0.14 0.00 0.15 -0.04 2.79 3.04 2ar6A1 ASN 83 HD21 -0.01 0.07 -0.02 -0.04 7.03 7.02 2ar6A1 ASN 83 HD22 -0.00 -0.03 0.02 -0.04 7.74 7.69 2ar6A1 GLY 84 H 0.00 0.19 -0.40 -0.55 8.43 7.67 2ar6A1 GLY 84 HA2 -0.08 0.15 0.25 -0.51 4.01 3.82 2ar6A1 GLY 84 HA3 0.00 0.04 0.07 -0.51 4.01 3.62 2ar6A1 ALA 85 H -0.02 0.19 -0.16 -0.55 8.40 7.86 2ar6A1 ALA 85 HA 0.16 0.12 0.51 -0.75 4.34 4.38 2ar6A1 ALA 85 HB3 -0.22 0.00 -0.14 -0.04 1.41 1.02 2ar6A1 ASP 86 H 0.20 0.72 0.46 -0.55 8.40 9.23 2ar6A1 ASP 86 HA 0.16 -0.04 0.40 -0.75 4.63 4.39 2ar6A1 ASP 86 HB2 0.06 0.24 -0.09 -0.04 2.71 2.87 2ar6A1 ASP 86 HB3 0.13 0.09 -0.17 -0.04 2.70 2.72 2ar6A1 GLY 87 H 0.39 0.20 0.18 -0.55 8.43 8.65 2ar6A1 GLY 87 HA2 0.32 0.04 0.38 -0.51 4.01 4.25 2ar6A1 GLY 87 HA3 0.18 0.24 0.97 -0.51 4.01 4.89 2ar6A1 ILE 88 H 0.11 0.41 0.34 -0.55 8.25 8.56 2ar6A1 ILE 88 HA -0.11 0.31 1.12 -0.75 4.18 4.75 2ar6A1 ILE 88 HB -0.03 -0.05 -0.07 -0.04 1.89 1.69 2ar6A1 ILE 88 HG12 -0.12 0.01 -0.18 -0.04 1.49 1.16 2ar6A1 ILE 88 HG13 -0.11 0.11 0.02 -0.04 1.21 1.19 2ar6A1 ILE 88 HG23 -0.76 -0.01 -0.02 -0.04 0.93 0.10 2ar6A1 ILE 88 HD13 -0.40 -0.03 -0.18 -0.04 0.88 0.23 2ar6A1 ALA 89 H -0.01 0.65 0.42 -0.55 8.40 8.92 2ar6A1 ALA 89 HA 0.19 0.27 1.04 -0.75 4.34 5.09 2ar6A1 ALA 89 HB3 -0.02 -0.00 -0.18 -0.04 1.41 1.16 2ar6A1 PHE 90 H 0.27 0.51 0.35 -0.55 8.34 8.92 2ar6A1 PHE 90 HA -0.85 0.21 0.92 -0.75 4.62 4.15 2ar6A1 PHE 90 HB2 -0.57 -0.05 0.09 -0.04 3.15 2.58 2ar6A1 PHE 90 HB3 0.08 -0.04 0.21 -0.04 3.06 3.27 2ar6A1 PHE 90 HD2 -0.86 -0.01 -0.03 -0.04 7.28 6.34 2ar6A1 PHE 90 HE2 0.12 -0.04 -0.10 -0.04 7.38 7.31 2ar6A1 PHE 90 HZ 0.20 -0.04 -0.10 -0.04 7.32 7.34 2ar6A1 PHE 91 H -0.91 0.65 0.34 -0.55 8.34 7.87 2ar6A1 PHE 91 HA -0.51 0.23 0.99 -0.75 4.62 4.58 2ar6A1 PHE 91 HB2 -0.29 0.07 -0.02 -0.04 3.15 2.86 2ar6A1 PHE 91 HB3 -0.29 -0.05 -0.36 -0.04 3.06 2.31 2ar6A1 PHE 91 HD2 -0.31 0.02 -0.33 -0.04 7.28 6.62 2ar6A1 PHE 91 HE2 -0.19 0.05 -0.38 -0.04 7.38 6.82 2ar6A1 PHE 91 HZ -0.16 0.03 -0.29 -0.04 7.32 6.86 2ar6A1 ILE 92 H -0.16 0.66 0.37 -0.55 8.25 8.57 2ar6A1 ILE 92 HA -0.44 0.25 0.99 -0.75 4.18 4.23 2ar6A1 ILE 92 HB -0.12 -0.07 0.11 -0.04 1.89 1.77 2ar6A1 ILE 92 HG12 -0.39 0.01 -0.17 -0.04 1.49 0.91 2ar6A1 ILE 92 HG13 -0.41 -0.05 -0.34 -0.04 1.21 0.37 2ar6A1 ILE 92 HG23 -0.16 0.00 -0.10 -0.04 0.93 0.63 2ar6A1 ILE 92 HD13 -0.02 -0.02 -0.13 -0.04 0.88 0.67 2ar6A1 ALA 93 H -0.19 0.59 0.32 -0.55 8.40 8.57 2ar6A1 ALA 93 HA -0.01 0.18 0.74 -0.75 4.34 4.49 2ar6A1 ALA 93 HB3 0.08 0.01 -0.02 -0.04 1.41 1.44 2ar6A1 PRO 94 HA 0.03 0.19 0.60 -0.51 4.44 4.74 2ar6A1 PRO 94 HB2 0.00 -0.07 0.04 -0.04 2.28 2.22 2ar6A1 PRO 94 HB3 0.02 0.04 0.15 -0.04 2.02 2.19 2ar6A1 PRO 94 HG2 0.02 0.05 0.13 -0.04 2.03 2.18 2ar6A1 PRO 94 HG3 0.04 0.05 0.14 -0.04 2.03 2.22 2ar6A1 PRO 94 HD2 0.00 0.08 0.28 -0.04 3.68 4.00 2ar6A1 PRO 94 HD3 0.01 0.33 0.31 -0.04 3.65 4.26 2ar6A1 PRO 95 HA -0.02 0.08 0.31 -0.51 4.44 4.30 2ar6A1 PRO 95 HB2 -0.03 0.01 -0.03 -0.04 2.28 2.19 2ar6A1 PRO 95 HB3 -0.02 0.06 -0.01 -0.04 2.02 2.01 2ar6A1 PRO 95 HG2 0.03 0.01 -0.05 -0.04 2.03 1.98 2ar6A1 PRO 95 HG3 0.06 -0.02 -0.24 -0.04 2.03 1.80 2ar6A1 PRO 95 HD2 0.01 0.05 0.18 -0.04 3.68 3.89 2ar6A1 PRO 95 HD3 0.05 0.33 0.37 -0.04 3.65 4.36 2ar6A1 ASP 96 H -0.01 0.05 -0.32 -0.55 8.40 7.57 2ar6A1 ASP 96 HA -0.03 0.22 0.62 -0.75 4.63 4.69 2ar6A1 ASP 96 HB2 -0.02 0.01 0.09 -0.04 2.71 2.75 2ar6A1 ASP 96 HB3 -0.03 -0.02 -0.00 -0.04 2.70 2.60 2ar6A1 THR 97 H -0.01 0.36 -0.48 -0.55 8.28 7.60 2ar6A1 THR 97 HA -0.01 -0.03 0.27 -0.75 4.39 3.86 2ar6A1 THR 97 HB 0.02 0.03 0.03 -0.04 4.32 4.36 2ar6A1 THR 97 HG23 0.07 0.00 -0.19 -0.04 1.22 1.06 2ar6A1 THR 98 H -0.03 0.22 0.15 -0.55 8.28 8.07 2ar6A1 THR 98 HA -0.02 0.13 0.61 -0.75 4.39 4.37 2ar6A1 THR 98 HB -0.02 -0.07 0.03 -0.04 4.32 4.21 2ar6A1 THR 98 HG23 -0.02 0.07 -0.19 -0.04 1.22 1.04 2ar6A1 ILE 99 H -0.04 0.07 0.03 -0.55 8.25 7.76 2ar6A1 ILE 99 HA -0.11 0.25 0.36 -0.75 4.18 3.93 2ar6A1 ILE 99 HB -0.04 -0.07 0.07 -0.04 1.89 1.81 2ar6A1 ILE 99 HG12 -0.09 0.14 -0.09 -0.04 1.49 1.41 2ar6A1 ILE 99 HG13 -0.04 -0.03 -0.04 -0.04 1.21 1.06 2ar6A1 ILE 99 HG23 -0.06 0.03 -0.20 -0.04 0.93 0.65 2ar6A1 ILE 99 HD13 -0.03 -0.03 -0.22 -0.04 0.88 0.56 2ar6A1 PRO 100 HA -0.04 0.07 0.39 -0.51 4.44 4.34 2ar6A1 PRO 100 HB2 -0.05 -0.01 -0.47 -0.04 2.28 1.71 2ar6A1 PRO 100 HB3 -0.05 -0.01 -0.10 -0.04 2.02 1.83 2ar6A1 PRO 100 HG2 -0.15 0.07 -0.47 -0.04 2.03 1.43 2ar6A1 PRO 100 HG3 -0.10 0.12 -0.08 -0.04 2.03 1.92 2ar6A1 PRO 100 HD2 -0.14 -0.01 -0.23 -0.04 3.68 3.27 2ar6A1 PRO 100 HD3 -0.15 0.31 0.13 -0.04 3.65 3.90 2ar6A1 SER 101 H -0.02 0.13 0.09 -0.55 8.46 8.11 2ar6A1 SER 101 HA -0.02 0.00 0.42 -0.75 4.49 4.14 2ar6A1 SER 101 HB2 -0.01 0.00 0.11 -0.04 3.95 4.00 2ar6A1 SER 101 HB3 -0.01 0.00 0.11 -0.04 3.93 3.99 2ar6A1 GLY 102 H -0.01 0.16 0.16 -0.55 8.43 8.19 2ar6A1 GLY 102 HA2 0.00 -0.01 0.32 -0.51 4.01 3.81 2ar6A1 GLY 102 HA3 0.00 0.11 0.47 -0.51 4.01 4.08 2ar6A1 SER 103 H -0.02 0.32 -0.28 -0.55 8.46 7.92 2ar6A1 SER 103 HA -0.00 0.27 0.53 -0.75 4.49 4.54 2ar6A1 SER 103 HB2 -0.07 -0.22 -0.08 -0.04 3.95 3.54 2ar6A1 SER 103 HB3 -0.05 0.05 -0.35 -0.04 3.93 3.54 2ar6A1 GLY 104 H -0.00 0.04 -0.59 -0.55 8.43 7.33 2ar6A1 GLY 104 HA2 -0.02 0.12 0.33 -0.51 4.01 3.93 2ar6A1 GLY 104 HA3 -0.00 0.00 0.21 -0.51 4.01 3.72 2ar6A1 GLY 105 H 0.01 0.16 -0.14 -0.55 8.43 7.92 2ar6A1 GLY 105 HA2 0.01 -0.08 0.18 -0.51 4.01 3.60 2ar6A1 GLY 105 HA3 0.05 0.05 0.32 -0.51 4.01 3.92 2ar6A1 GLY 106 H 0.17 0.13 0.11 -0.55 8.43 8.29 2ar6A1 GLY 106 HA2 0.25 0.07 0.30 -0.51 4.01 4.13 2ar6A1 GLY 106 HA3 0.44 0.07 0.29 -0.51 4.01 4.29 2ar6A1 LEU 107 H 0.12 0.46 -0.61 -0.55 8.37 7.79 2ar6A1 LEU 107 HA -0.02 0.14 0.60 -0.75 4.35 4.31 2ar6A1 LEU 107 HB2 0.03 0.16 -0.14 -0.04 1.64 1.66 2ar6A1 LEU 107 HB3 0.03 -0.05 0.08 -0.04 1.64 1.67 2ar6A1 LEU 107 HG 0.10 -0.08 -0.15 -0.04 1.64 1.47 2ar6A1 LEU 107 HD13 0.01 0.05 -0.20 -0.04 0.93 0.75 2ar6A1 LEU 107 HD23 -0.36 0.01 -0.17 -0.04 0.89 0.33 2ar6A1 LEU 108 H 0.05 0.40 -0.41 -0.55 8.37 7.87 2ar6A1 LEU 108 HA -0.04 -0.00 0.08 -0.75 4.35 3.63 2ar6A1 LEU 108 HB2 -0.02 0.11 -0.40 -0.04 1.64 1.28 2ar6A1 LEU 108 HB3 -0.06 -0.04 -0.14 -0.04 1.64 1.35 2ar6A1 LEU 108 HG 0.10 0.16 -0.49 -0.04 1.64 1.37 2ar6A1 LEU 108 HD13 0.06 -0.01 -0.29 -0.04 0.93 0.66 2ar6A1 LEU 108 HD23 0.07 0.04 -0.29 -0.04 0.89 0.67 2ar6A1 GLY 109 H -0.06 0.73 -0.39 -0.55 8.43 8.16 2ar6A1 GLY 109 HA2 -0.11 -0.05 0.11 -0.51 4.01 3.45 2ar6A1 GLY 109 HA3 -0.16 0.01 0.37 -0.51 4.01 3.73 2ar6A1 LEU 110 H -0.18 0.47 -0.25 -0.55 8.37 7.87 2ar6A1 LEU 110 HA -0.53 0.21 0.82 -0.75 4.35 4.10 2ar6A1 LEU 110 HB2 -0.40 0.10 -0.15 -0.04 1.64 1.15 2ar6A1 LEU 110 HB3 -1.04 -0.05 -0.20 -0.04 1.64 0.31 2ar6A1 LEU 110 HG -0.43 0.11 -0.42 -0.04 1.64 0.85 2ar6A1 LEU 110 HD13 -0.24 -0.02 -0.28 -0.04 0.93 0.35 2ar6A1 LEU 110 HD23 -1.15 0.01 -0.25 -0.04 0.89 -0.55 2ar6A1 PHE 111 H -0.03 0.23 0.05 -0.55 8.34 8.04 2ar6A1 PHE 111 HA -0.12 0.25 0.89 -0.75 4.62 4.88 2ar6A1 PHE 111 HB2 -0.21 -0.04 -0.10 -0.04 3.15 2.76 2ar6A1 PHE 111 HB3 -0.16 0.01 -0.09 -0.04 3.06 2.78 2ar6A1 PHE 111 HD2 -0.17 0.07 -0.19 -0.04 7.28 6.95 2ar6A1 PHE 111 HE2 -0.14 -0.02 -0.44 -0.04 7.38 6.74 2ar6A1 PHE 111 HZ -0.13 -0.04 -0.48 -0.04 7.32 6.63 2ar6A1 ALA 112 H 0.06 0.18 -0.01 -0.55 8.40 8.09 2ar6A1 ALA 112 HA 0.00 0.25 0.44 -0.75 4.34 4.28 2ar6A1 ALA 112 HB3 -0.00 -0.00 0.01 -0.04 1.41 1.37 2ar6A1 PRO 113 HA 0.00 0.06 0.33 -0.51 4.44 4.32 2ar6A1 PRO 113 HB2 0.02 -0.04 0.09 -0.04 2.28 2.31 2ar6A1 PRO 113 HB3 0.04 0.04 0.06 -0.04 2.02 2.12 2ar6A1 PRO 113 HG2 0.02 -0.02 0.12 -0.04 2.03 2.11 2ar6A1 PRO 113 HG3 0.03 0.16 0.11 -0.04 2.03 2.29 2ar6A1 PRO 113 HD2 0.00 0.11 0.16 -0.04 3.68 3.92 2ar6A1 PRO 113 HD3 0.01 0.21 -0.05 -0.04 3.65 3.78 2ar6A1 GLY 114 H 0.00 0.12 -0.18 -0.55 8.43 7.82 2ar6A1 GLY 114 HA2 0.01 0.10 0.34 -0.51 4.01 3.94 2ar6A1 GLY 114 HA3 0.00 0.03 0.26 -0.51 4.01 3.80 2ar6A1 THR 115 H -0.01 0.28 -0.34 -0.55 8.28 7.66 2ar6A1 THR 115 HA -0.02 0.22 0.99 -0.75 4.39 4.82 2ar6A1 THR 115 HB 0.01 0.04 0.14 -0.04 4.32 4.47 2ar6A1 THR 115 HG23 -0.00 -0.00 -0.15 -0.04 1.22 1.03 2ar6A1 ALA 116 H -0.08 0.37 -0.15 -0.55 8.40 7.99 2ar6A1 ALA 116 HA -0.21 0.03 0.24 -0.75 4.34 3.65 2ar6A1 ALA 116 HB3 -0.37 0.02 -0.08 -0.04 1.41 0.94 2ar6A1 GLN 117 H -0.15 0.13 -0.38 -0.55 8.47 7.52 2ar6A1 GLN 117 HA -0.27 0.12 0.94 -0.75 4.36 4.39 2ar6A1 GLN 117 HB2 -0.07 0.04 -0.02 -0.04 2.15 2.06 2ar6A1 GLN 117 HB3 -0.09 0.04 0.14 -0.04 2.02 2.07 2ar6A1 GLN 117 HG2 -0.29 -0.06 -0.18 -0.04 2.40 1.83 2ar6A1 GLN 117 HG3 -0.21 -0.05 -0.23 -0.04 2.39 1.86 2ar6A1 GLN 117 HE21 0.24 0.03 -0.11 -0.04 6.97 7.09 2ar6A1 GLN 117 HE22 0.16 -0.00 -0.10 -0.04 7.69 7.71 2ar6A1 ASN 118 H -0.09 0.47 -0.27 -0.55 8.53 8.09 2ar6A1 ASN 118 HA -0.03 0.10 0.74 -0.75 4.76 4.81 2ar6A1 ASN 118 HB2 -0.03 0.01 0.10 -0.04 2.88 2.92 2ar6A1 ASN 118 HB3 -0.02 0.09 0.27 -0.04 2.79 3.09 2ar6A1 ASN 118 HD21 -0.00 0.02 -0.01 -0.04 7.03 7.00 2ar6A1 ASN 118 HD22 -0.01 0.04 0.04 -0.04 7.74 7.77 2ar6A1 THR 119 H -0.03 0.22 0.12 -0.55 8.28 8.04 2ar6A1 THR 119 HA -0.01 0.39 0.39 -0.75 4.39 4.41 2ar6A1 THR 119 HB 0.00 0.03 0.08 -0.04 4.32 4.39 2ar6A1 THR 119 HG23 -0.04 0.03 -0.03 -0.04 1.22 1.15 2ar6A1 SER 120 H -0.00 -0.01 -0.31 -0.55 8.46 7.58 2ar6A1 SER 120 HA 0.01 0.19 0.60 -0.75 4.49 4.54 2ar6A1 SER 120 HB2 0.00 -0.04 0.02 -0.04 3.95 3.89 2ar6A1 SER 120 HB3 0.01 0.03 0.09 -0.04 3.93 4.01 2ar6A1 ALA 121 H 0.01 0.39 -0.24 -0.55 8.40 8.01 2ar6A1 ALA 121 HA 0.01 0.17 0.81 -0.75 4.34 4.58 2ar6A1 ALA 121 HB3 0.01 -0.00 0.10 -0.04 1.41 1.47 2ar6A1 ASN 122 H 0.03 0.29 -0.22 -0.55 8.53 8.09 2ar6A1 ASN 122 HA 0.03 0.16 0.97 -0.75 4.76 5.16 2ar6A1 ASN 122 HB2 0.12 0.15 0.03 -0.04 2.88 3.14 2ar6A1 ASN 122 HB3 0.11 -0.13 -0.05 -0.04 2.79 2.68 2ar6A1 ASN 122 HD21 0.08 0.18 -0.11 -0.04 7.03 7.14 2ar6A1 ASN 122 HD22 0.06 0.33 -0.09 -0.04 7.74 8.00 2ar6A1 GLN 123 H -0.00 0.17 0.00 -0.55 8.47 8.09 2ar6A1 GLN 123 HA 0.03 0.24 0.76 -0.75 4.36 4.63 2ar6A1 GLN 123 HB2 0.01 -0.08 0.17 -0.04 2.15 2.21 2ar6A1 GLN 123 HB3 0.03 -0.04 0.18 -0.04 2.02 2.15 2ar6A1 GLN 123 HG2 0.04 0.25 0.12 -0.04 2.40 2.77 2ar6A1 GLN 123 HG3 0.03 -0.01 -0.26 -0.04 2.39 2.10 2ar6A1 GLN 123 HE21 0.09 -0.12 -0.08 -0.04 6.97 6.81 2ar6A1 GLN 123 HE22 0.08 0.22 -0.10 -0.04 7.69 7.85 2ar6A1 VAL 124 H 0.03 0.25 0.05 -0.55 8.24 8.02 2ar6A1 VAL 124 HA -0.01 0.30 0.72 -0.75 4.13 4.38 2ar6A1 VAL 124 HB -0.13 0.15 -0.17 -0.04 2.12 1.93 2ar6A1 VAL 124 HG13 -0.18 -0.04 -0.22 -0.04 0.97 0.49 2ar6A1 VAL 124 HG23 -0.12 0.00 -0.24 -0.04 0.95 0.55 2ar6A1 ILE 125 H -0.02 0.59 0.32 -0.55 8.25 8.60 2ar6A1 ILE 125 HA 0.03 0.30 1.02 -0.75 4.18 4.77 2ar6A1 ILE 125 HB 0.00 -0.04 0.12 -0.04 1.89 1.93 2ar6A1 ILE 125 HG12 0.03 0.06 0.00 -0.04 1.49 1.55 2ar6A1 ILE 125 HG13 0.01 -0.00 -0.28 -0.04 1.21 0.90 2ar6A1 ILE 125 HG23 0.09 -0.01 -0.15 -0.04 0.93 0.81 2ar6A1 ILE 125 HD13 -0.01 -0.03 -0.11 -0.04 0.88 0.70 2ar6A1 ALA 126 H 0.04 0.68 0.34 -0.55 8.40 8.91 2ar6A1 ALA 126 HA -0.01 0.26 0.99 -0.75 4.34 4.84 2ar6A1 ALA 126 HB3 -0.01 -0.01 -0.16 -0.04 1.41 1.19 2ar6A1 VAL 127 H 0.13 0.69 0.32 -0.55 8.24 8.83 2ar6A1 VAL 127 HA 0.02 0.28 1.04 -0.75 4.13 4.72 2ar6A1 VAL 127 HB 0.40 -0.10 0.21 -0.04 2.12 2.59 2ar6A1 VAL 127 HG13 -0.06 0.00 -0.13 -0.04 0.97 0.74 2ar6A1 VAL 127 HG23 0.26 -0.01 -0.14 -0.04 0.95 1.03 2ar6A1 GLU 128 H -0.11 0.60 0.27 -0.55 8.60 8.81 2ar6A1 GLU 128 HA 0.01 0.25 1.08 -0.75 4.29 4.87 2ar6A1 GLU 128 HB2 0.01 0.02 -0.12 -0.04 2.09 1.96 2ar6A1 GLU 128 HB3 0.01 0.01 -0.14 -0.04 1.99 1.82 2ar6A1 GLU 128 HG2 -0.01 0.06 -0.03 -0.04 2.34 2.32 2ar6A1 GLU 128 HG3 -0.06 -0.15 -0.05 -0.04 2.34 2.04 2ar6A1 PHE 129 H 0.10 0.64 0.24 -0.55 8.34 8.77 2ar6A1 PHE 129 HA -0.47 0.16 0.80 -0.75 4.62 4.35 2ar6A1 PHE 129 HB2 -0.23 -0.06 0.26 -0.04 3.15 3.07 2ar6A1 PHE 129 HB3 -0.62 -0.01 0.03 -0.04 3.06 2.41 2ar6A1 PHE 129 HD2 -0.63 0.11 -0.08 -0.04 7.28 6.64 2ar6A1 PHE 129 HE2 0.05 -0.02 -0.14 -0.04 7.38 7.23 2ar6A1 PHE 129 HZ 0.10 -0.04 -0.16 -0.04 7.32 7.18 2ar6A1 ASP 130 H -0.13 0.69 0.18 -0.55 8.40 8.59 2ar6A1 ASP 130 HA 0.16 0.14 0.85 -0.75 4.63 5.03 2ar6A1 ASP 130 HB2 -0.07 -0.06 -0.04 -0.04 2.71 2.50 2ar6A1 ASP 130 HB3 -0.94 0.03 0.15 -0.04 2.70 1.91 2ar6A1 THR 131 H 0.30 0.33 0.13 -0.55 8.28 8.48 2ar6A1 THR 131 HA 0.32 0.16 0.82 -0.75 4.39 4.94 2ar6A1 THR 131 HB 0.20 0.03 0.03 -0.04 4.32 4.53 2ar6A1 THR 131 HG23 0.38 -0.01 -0.24 -0.04 1.22 1.32 2ar6A1 PHE 132 H 0.34 0.24 0.00 -0.55 8.34 8.36 2ar6A1 PHE 132 HA -0.08 0.17 0.90 -0.75 4.62 4.85 2ar6A1 PHE 132 HB2 0.04 0.03 -0.05 -0.04 3.15 3.13 2ar6A1 PHE 132 HB3 0.06 -0.01 0.12 -0.04 3.06 3.19 2ar6A1 PHE 132 HD2 -0.06 0.13 -0.12 -0.04 7.28 7.19 2ar6A1 PHE 132 HE2 -0.10 0.02 0.01 -0.04 7.38 7.27 2ar6A1 PHE 132 HZ -0.09 0.03 0.02 -0.04 7.32 7.24 2ar6A1 TYR 133 H -1.28 0.09 0.04 -0.55 8.29 6.60 2ar6A1 TYR 133 HA -0.12 0.23 0.86 -0.75 4.56 4.78 2ar6A1 TYR 133 HB2 -0.14 0.18 0.05 -0.04 3.06 3.11 2ar6A1 TYR 133 HB3 0.06 0.11 -0.26 -0.04 2.98 2.85 2ar6A1 TYR 133 HD2 -0.05 -0.02 -0.46 -0.04 7.15 6.58 2ar6A1 TYR 133 HE2 -0.02 0.07 -0.14 -0.04 6.85 6.72 2ar6A1 ALA 134 H -1.26 0.00 0.02 -0.55 8.40 6.62 2ar6A1 ALA 134 HA -0.37 0.09 0.39 -0.75 4.34 3.70 2ar6A1 ALA 134 HB3 -0.35 -0.00 0.10 -0.04 1.41 1.12 2ar6A1 GLN 135 H -0.14 0.14 0.17 -0.55 8.47 8.09 2ar6A1 GLN 135 HA -0.20 0.26 0.08 -0.75 4.36 3.75 2ar6A1 GLN 135 HB2 -0.08 -0.07 0.04 -0.04 2.15 2.00 2ar6A1 GLN 135 HB3 -0.10 0.06 0.06 -0.04 2.02 2.00 2ar6A1 GLN 135 HG2 -0.07 -0.06 0.08 -0.04 2.40 2.32 2ar6A1 GLN 135 HG3 -0.06 -0.03 0.02 -0.04 2.39 2.29 2ar6A1 GLN 135 HE21 -0.13 0.40 -0.25 -0.04 6.97 6.94 2ar6A1 GLN 135 HE22 -0.04 0.21 -0.08 -0.04 7.69 7.74 2ar6A1 ASP 136 H -0.10 -0.04 -0.40 -0.55 8.40 7.31 2ar6A1 ASP 136 HA -0.07 0.20 0.53 -0.75 4.63 4.54 2ar6A1 ASP 136 HB2 -0.03 0.05 0.01 -0.04 2.71 2.70 2ar6A1 ASP 136 HB3 -0.04 0.01 0.02 -0.04 2.70 2.65 2ar6A1 SER 137 H -0.09 0.05 -0.16 -0.55 8.46 7.72 2ar6A1 SER 137 HA -0.06 0.26 0.89 -0.75 4.49 4.83 2ar6A1 SER 137 HB2 0.04 -0.03 0.01 -0.04 3.95 3.92 2ar6A1 SER 137 HB3 0.03 0.00 -0.03 -0.04 3.93 3.89 2ar6A1 ASN 138 H -0.27 0.59 -0.03 -0.55 8.53 8.27 2ar6A1 ASN 138 HA -1.72 0.13 0.70 -0.75 4.76 3.12 2ar6A1 ASN 138 HB2 -0.28 0.07 -0.11 -0.04 2.88 2.52 2ar6A1 ASN 138 HB3 -0.53 0.03 0.10 -0.04 2.79 2.35 2ar6A1 ASN 138 HD21 0.36 -0.18 0.03 -0.04 7.03 7.20 2ar6A1 ASN 138 HD22 0.30 0.14 0.06 -0.04 7.74 8.19 2ar6A1 THR 139 H -0.75 0.27 -0.49 -0.55 8.28 6.77 2ar6A1 THR 139 HA -0.29 0.15 0.24 -0.75 4.39 3.74 2ar6A1 THR 139 HB -0.08 0.01 0.02 -0.04 4.32 4.22 2ar6A1 THR 139 HG23 -0.13 0.07 -0.12 -0.04 1.22 1.00 2ar6A1 TRP 140 H -1.23 -0.02 -0.51 -0.55 7.97 5.67 2ar6A1 TRP 140 HA -0.05 0.15 0.51 -0.75 4.62 4.48 2ar6A1 TRP 140 HB2 -0.07 -0.02 -0.06 -0.04 3.23 3.03 2ar6A1 TRP 140 HB3 -0.06 -0.04 -0.09 -0.04 3.23 3.00 2ar6A1 TRP 140 HD1 -0.01 0.03 -0.40 -0.04 7.22 6.80 2ar6A1 TRP 140 HE1 0.06 0.04 -0.07 -0.04 10.20 10.19 2ar6A1 TRP 140 HE3 -0.04 0.01 -0.12 -0.04 7.59 7.41 2ar6A1 TRP 140 HZ2 0.05 -0.04 -0.14 -0.04 7.44 7.27 2ar6A1 TRP 140 HZ3 -0.01 0.03 -0.03 -0.04 7.13 7.07 2ar6A1 TRP 140 HH2 0.02 -0.05 -0.07 -0.04 7.19 7.05 2ar6A1 ASP 141 H -0.56 0.34 -0.29 -0.55 8.40 7.34 2ar6A1 ASP 141 HA -0.02 0.09 0.58 -0.75 4.63 4.53 2ar6A1 ASP 141 HB2 -0.19 0.11 0.08 -0.04 2.71 2.67 2ar6A1 ASP 141 HB3 -0.01 0.22 -0.00 -0.04 2.70 2.87 2ar6A1 PRO 142 HA -0.29 0.08 0.43 -0.51 4.44 4.15 2ar6A1 PRO 142 HB2 -1.22 -0.01 -0.05 -0.04 2.28 0.96 2ar6A1 PRO 142 HB3 -0.37 0.04 0.04 -0.04 2.02 1.68 2ar6A1 PRO 142 HG2 -0.93 0.12 -0.04 -0.04 2.03 1.13 2ar6A1 PRO 142 HG3 -0.71 -0.01 -0.06 -0.04 2.03 1.21 2ar6A1 PRO 142 HD2 -0.75 0.04 0.18 -0.04 3.68 3.11 2ar6A1 PRO 142 HD3 -0.37 0.17 0.12 -0.04 3.65 3.52 2ar6A1 ASN 143 H -0.33 0.10 0.06 -0.55 8.53 7.81 2ar6A1 ASN 143 HA -0.10 0.21 0.48 -0.75 4.76 4.59 2ar6A1 ASN 143 HB2 -0.06 0.03 0.11 -0.04 2.88 2.92 2ar6A1 ASN 143 HB3 0.01 -0.02 0.19 -0.04 2.79 2.92 2ar6A1 ASN 143 HD21 0.05 -0.04 0.03 -0.04 7.03 7.03 2ar6A1 ASN 143 HD22 0.04 0.01 0.07 -0.04 7.74 7.82 2ar6A1 TYR 144 H -0.77 0.60 -0.31 -0.55 8.29 7.26 2ar6A1 TYR 144 HA -1.17 0.02 0.37 -0.75 4.56 3.03 2ar6A1 TYR 144 HB2 -0.16 0.07 0.08 -0.04 3.06 3.01 2ar6A1 TYR 144 HB3 -0.20 0.10 0.09 -0.04 2.98 2.93 2ar6A1 TYR 144 HD2 -0.03 0.25 -0.33 -0.04 7.15 7.00 2ar6A1 TYR 144 HE2 -0.01 -0.02 -0.16 -0.04 6.85 6.62 2ar6A1 PRO 145 HA 0.21 0.17 0.47 -0.51 4.44 4.79 2ar6A1 PRO 145 HB2 0.06 0.26 0.03 -0.04 2.28 2.59 2ar6A1 PRO 145 HB3 0.12 -0.03 0.07 -0.04 2.02 2.14 2ar6A1 PRO 145 HG2 0.04 -0.03 0.15 -0.04 2.03 2.15 2ar6A1 PRO 145 HG3 0.29 0.07 0.09 -0.04 2.03 2.44 2ar6A1 PRO 145 HD2 0.03 0.12 0.24 -0.04 3.68 4.04 2ar6A1 PRO 145 HD3 -0.17 0.08 0.21 -0.04 3.65 3.73 2ar6A1 HIS 146 H 0.06 0.53 0.32 -0.55 8.41 8.78 2ar6A1 HIS 146 HA 0.35 0.06 0.82 -0.75 4.63 5.12 2ar6A1 HIS 146 HB2 0.14 -0.00 -0.04 -0.04 3.26 3.31 2ar6A1 HIS 146 HB3 0.22 0.08 -0.36 -0.04 3.20 3.10 2ar6A1 HIS 146 HD2 0.04 -0.06 -0.36 -0.04 6.97 6.55 2ar6A1 HIS 146 HE1 0.11 0.01 -0.07 -0.04 7.75 7.76 2ar6A1 ILE 147 H 0.15 0.56 0.29 -0.55 8.25 8.70 2ar6A1 ILE 147 HA -0.48 0.29 1.04 -0.75 4.18 4.29 2ar6A1 ILE 147 HB -0.14 -0.03 0.06 -0.04 1.89 1.75 2ar6A1 ILE 147 HG12 -1.05 0.01 -0.03 -0.04 1.49 0.38 2ar6A1 ILE 147 HG13 -0.64 -0.06 -0.23 -0.04 1.21 0.24 2ar6A1 ILE 147 HG23 -0.55 0.01 -0.15 -0.04 0.93 0.20 2ar6A1 ILE 147 HD13 -0.38 -0.01 -0.13 -0.04 0.88 0.32 2ar6A1 GLY 148 H -0.21 0.52 0.32 -0.55 8.43 8.52 2ar6A1 GLY 148 HA2 0.01 0.31 1.11 -0.51 4.01 4.93 2ar6A1 GLY 148 HA3 0.06 0.02 0.30 -0.51 4.01 3.88 2ar6A1 ILE 149 H -0.03 0.62 0.31 -0.55 8.25 8.60 2ar6A1 ILE 149 HA -0.00 0.22 1.03 -0.75 4.18 4.67 2ar6A1 ILE 149 HB -0.07 -0.02 0.12 -0.04 1.89 1.87 2ar6A1 ILE 149 HG12 0.07 0.01 -0.09 -0.04 1.49 1.44 2ar6A1 ILE 149 HG13 0.01 -0.04 -0.30 -0.04 1.21 0.84 2ar6A1 ILE 149 HG23 0.00 -0.00 -0.17 -0.04 0.93 0.71 2ar6A1 ILE 149 HD13 0.11 0.02 -0.26 -0.04 0.88 0.71 2ar6A1 ASP 150 H 0.01 0.83 0.29 -0.55 8.40 8.98 2ar6A1 ASP 150 HA -0.06 0.11 0.84 -0.75 4.63 4.77 2ar6A1 ASP 150 HB2 0.07 -0.12 0.02 -0.04 2.71 2.64 2ar6A1 ASP 150 HB3 0.10 0.21 -0.15 -0.04 2.70 2.82 2ar6A1 VAL 151 H -0.06 0.29 0.07 -0.55 8.24 7.98 2ar6A1 VAL 151 HA 0.03 0.22 1.05 -0.75 4.13 4.68 2ar6A1 VAL 151 HB -0.05 0.03 0.17 -0.04 2.12 2.22 2ar6A1 VAL 151 HG13 0.05 0.01 -0.08 -0.04 0.97 0.90 2ar6A1 VAL 151 HG23 -0.02 -0.02 -0.20 -0.04 0.95 0.67 2ar6A1 ASN 152 H 0.09 0.62 0.13 -0.55 8.53 8.82 2ar6A1 ASN 152 HA 0.17 -0.06 0.21 -0.75 4.76 4.33 2ar6A1 ASN 152 HB2 0.02 0.12 -0.12 -0.04 2.88 2.87 2ar6A1 ASN 152 HB3 0.04 0.04 0.27 -0.04 2.79 3.10 2ar6A1 ASN 152 HD21 0.03 0.02 0.08 -0.04 7.03 7.11 2ar6A1 ASN 152 HD22 0.03 -0.03 0.00 -0.04 7.74 7.70 2ar6A1 SER 153 H 0.01 0.09 -0.57 -0.55 8.46 7.44 2ar6A1 SER 153 HA -0.57 0.33 0.52 -0.75 4.49 4.02 2ar6A1 SER 153 HB2 -0.16 0.09 -0.27 -0.04 3.95 3.57 2ar6A1 SER 153 HB3 -0.16 0.07 -0.15 -0.04 3.93 3.65 2ar6A1 ILE 154 H -1.07 0.60 0.11 -0.55 8.25 7.35 2ar6A1 ILE 154 HA -0.59 0.05 0.34 -0.75 4.18 3.23 2ar6A1 ILE 154 HB -1.17 -0.01 -0.02 -0.04 1.89 0.66 2ar6A1 ILE 154 HG12 -0.90 0.02 -0.06 -0.04 1.49 0.51 2ar6A1 ILE 154 HG13 -0.79 -0.03 -0.02 -0.04 1.21 0.33 2ar6A1 ILE 154 HG23 -1.56 0.01 -0.26 -0.04 0.93 -0.92 2ar6A1 ILE 154 HD13 -0.01 0.01 -0.09 -0.04 0.88 0.75 2ar6A1 ARG 155 H -0.38 0.07 -0.41 -0.55 8.46 7.18 2ar6A1 ARG 155 HA 0.01 0.13 0.56 -0.75 4.34 4.29 2ar6A1 ARG 155 HB2 -0.01 -0.08 -0.00 -0.04 1.90 1.77 2ar6A1 ARG 155 HB3 -0.09 -0.03 0.08 -0.04 1.80 1.72 2ar6A1 ARG 155 HG2 -0.01 0.10 -0.19 -0.04 1.67 1.53 2ar6A1 ARG 155 HG3 0.08 0.19 0.01 -0.04 1.67 1.91 2ar6A1 ARG 155 HD2 0.03 0.03 -0.02 -0.04 3.22 3.21 2ar6A1 ARG 155 HD3 0.07 -0.06 -0.01 -0.04 3.22 3.18 2ar6A1 SER 156 H 0.00 0.17 -0.04 -0.55 8.46 8.05 2ar6A1 SER 156 HA -0.08 0.02 0.24 -0.75 4.49 3.92 2ar6A1 SER 156 HB2 -0.02 -0.00 -0.11 -0.04 3.95 3.77 2ar6A1 SER 156 HB3 -0.03 -0.00 -0.01 -0.04 3.93 3.85 2ar6A1 VAL 157 H -0.18 0.37 0.37 -0.55 8.24 8.26 2ar6A1 VAL 157 HA -0.12 0.15 0.59 -0.75 4.13 4.00 2ar6A1 VAL 157 HB -0.47 -0.02 0.13 -0.04 2.12 1.73 2ar6A1 VAL 157 HG13 -0.19 -0.01 0.10 -0.04 0.97 0.82 2ar6A1 VAL 157 HG23 -0.88 0.04 -0.02 -0.04 0.95 0.04 2ar6A1 LYS 158 H -0.12 0.18 -0.01 -0.55 8.42 7.92 2ar6A1 LYS 158 HA 0.00 0.16 0.66 -0.75 4.32 4.38 2ar6A1 LYS 158 HB2 0.01 0.04 -0.23 -0.04 1.87 1.65 2ar6A1 LYS 158 HB3 0.00 -0.14 -0.01 -0.04 1.79 1.61 2ar6A1 LYS 158 HG2 0.11 0.08 0.07 -0.04 1.46 1.68 2ar6A1 LYS 158 HG3 0.07 0.04 0.03 -0.04 1.46 1.56 2ar6A1 LYS 158 HD2 0.07 0.04 0.20 -0.04 1.69 1.96 2ar6A1 LYS 158 HD3 0.16 0.01 0.12 -0.04 1.68 1.93 2ar6A1 LYS 158 HE2 0.07 0.00 0.11 -0.04 2.99 3.14 2ar6A1 LYS 158 HE3 0.08 -0.01 0.10 -0.04 2.99 3.12 2ar6A1 THR 159 H 0.04 0.27 0.20 -0.55 8.28 8.24 2ar6A1 THR 159 HA 0.05 0.27 1.10 -0.75 4.39 5.06 2ar6A1 THR 159 HB 0.10 0.03 0.02 -0.04 4.32 4.43 2ar6A1 THR 159 HG23 -0.05 -0.01 -0.22 -0.04 1.22 0.90 2ar6A1 VAL 160 H 0.14 0.53 0.34 -0.55 8.24 8.71 2ar6A1 VAL 160 HA 0.14 0.13 0.78 -0.75 4.13 4.43 2ar6A1 VAL 160 HB 0.11 0.05 0.00 -0.04 2.12 2.24 2ar6A1 VAL 160 HG13 0.13 -0.01 -0.12 -0.04 0.97 0.93 2ar6A1 VAL 160 HG23 0.17 0.04 0.13 -0.04 0.95 1.25 2ar6A1 LYS 161 H 0.13 0.11 0.15 -0.55 8.42 8.25 2ar6A1 LYS 161 HA 0.34 0.23 0.57 -0.75 4.32 4.72 2ar6A1 LYS 161 HB2 -0.41 -0.01 0.10 -0.04 1.87 1.51 2ar6A1 LYS 161 HB3 -0.02 -0.06 0.10 -0.04 1.79 1.78 2ar6A1 LYS 161 HG2 0.05 -0.01 -0.25 -0.04 1.46 1.21 2ar6A1 LYS 161 HG3 -0.06 0.15 0.06 -0.04 1.46 1.57 2ar6A1 LYS 161 HD2 -0.52 0.00 -0.01 -0.04 1.69 1.12 2ar6A1 LYS 161 HD3 -0.17 -0.05 -0.03 -0.04 1.68 1.40 2ar6A1 LYS 161 HE2 -0.07 0.04 0.00 -0.04 2.99 2.93 2ar6A1 LYS 161 HE3 -0.10 -0.02 -0.01 -0.04 2.99 2.82 2ar6A1 TRP 162 H 0.34 0.66 0.17 -0.55 7.97 8.59 2ar6A1 TRP 162 HA -0.19 0.10 0.71 -0.75 4.62 4.48 2ar6A1 TRP 162 HB2 -0.14 0.03 -0.28 -0.04 3.23 2.80 2ar6A1 TRP 162 HB3 -0.00 -0.02 -0.32 -0.04 3.23 2.84 2ar6A1 TRP 162 HD1 -1.86 -0.01 -0.04 -0.04 7.22 5.27 2ar6A1 TRP 162 HE1 -0.24 -0.07 -0.09 -0.04 10.20 9.76 2ar6A1 TRP 162 HE3 0.06 0.05 -0.34 -0.04 7.59 7.31 2ar6A1 TRP 162 HZ2 0.21 -0.03 -0.08 -0.04 7.44 7.50 2ar6A1 TRP 162 HZ3 0.19 -0.01 -0.52 -0.04 7.13 6.75 2ar6A1 TRP 162 HH2 0.37 -0.03 -0.17 -0.04 7.19 7.31 2ar6A1 ASP 163 H -0.63 0.15 0.04 -0.55 8.40 7.41 2ar6A1 ASP 163 HA -0.29 0.21 0.92 -0.75 4.63 4.72 2ar6A1 ASP 163 HB2 0.03 -0.06 0.02 -0.04 2.71 2.65 2ar6A1 ASP 163 HB3 -0.12 0.07 -0.04 -0.04 2.70 2.57 2ar6A1 ARG 164 H -0.42 0.21 0.09 -0.55 8.46 7.79 2ar6A1 ARG 164 HA -0.81 0.08 0.62 -0.75 4.34 3.47 2ar6A1 ARG 164 HB2 -0.43 0.02 -0.03 -0.04 1.90 1.42 2ar6A1 ARG 164 HB3 -0.20 0.04 0.12 -0.04 1.80 1.72 2ar6A1 ARG 164 HG2 -0.08 -0.03 -0.38 -0.04 1.67 1.15 2ar6A1 ARG 164 HG3 -0.02 -0.02 -0.13 -0.04 1.67 1.45 2ar6A1 ARG 164 HD2 0.05 0.06 -0.10 -0.04 3.22 3.20 2ar6A1 ARG 164 HD3 -0.01 0.04 -0.09 -0.04 3.22 3.12 2ar6A1 ARG 165 H -0.07 0.22 0.09 -0.55 8.46 8.15 2ar6A1 ARG 165 HA -0.15 0.19 0.92 -0.75 4.34 4.54 2ar6A1 ARG 165 HB2 -0.38 -0.03 0.13 -0.04 1.90 1.58 2ar6A1 ARG 165 HB3 -0.25 0.06 0.01 -0.04 1.80 1.57 2ar6A1 ARG 165 HG2 -0.30 0.09 -0.15 -0.04 1.67 1.28 2ar6A1 ARG 165 HG3 -0.55 0.03 -0.34 -0.04 1.67 0.77 2ar6A1 ARG 165 HD2 -1.46 -0.07 -0.03 -0.04 3.22 1.62 2ar6A1 ARG 165 HD3 -0.42 0.03 -0.02 -0.04 3.22 2.77 2ar6A1 ASP 166 H -0.06 0.18 0.08 -0.55 8.40 8.06 2ar6A1 ASP 166 HA 0.01 0.10 0.47 -0.75 4.63 4.46 2ar6A1 ASP 166 HB2 -0.02 0.02 0.16 -0.04 2.71 2.83 2ar6A1 ASP 166 HB3 -0.02 0.03 0.15 -0.04 2.70 2.82 2ar6A1 GLY 167 H 0.04 0.81 0.47 -0.55 8.43 9.20 2ar6A1 GLY 167 HA2 0.04 -0.04 0.30 -0.51 4.01 3.80 2ar6A1 GLY 167 HA3 0.02 0.07 0.40 -0.51 4.01 3.99 2ar6A1 GLN 168 H 0.03 0.40 -0.37 -0.55 8.47 7.99 2ar6A1 GLN 168 HA 0.04 0.14 0.92 -0.75 4.36 4.71 2ar6A1 GLN 168 HB2 -0.05 0.03 0.05 -0.04 2.15 2.13 2ar6A1 GLN 168 HB3 0.06 -0.06 0.00 -0.04 2.02 1.99 2ar6A1 GLN 168 HG2 -0.01 0.00 -0.01 -0.04 2.40 2.35 2ar6A1 GLN 168 HG3 -0.04 0.14 -0.16 -0.04 2.39 2.29 2ar6A1 GLN 168 HE21 -0.12 -0.02 -0.01 -0.04 6.97 6.78 2ar6A1 GLN 168 HE22 -0.08 0.09 -0.04 -0.04 7.69 7.63 2ar6A1 SER 169 H 0.06 0.13 0.17 -0.55 8.46 8.28 2ar6A1 SER 169 HA -0.03 0.27 0.57 -0.75 4.49 4.54 2ar6A1 SER 169 HB2 0.03 -0.04 0.10 -0.04 3.95 4.00 2ar6A1 SER 169 HB3 -0.02 -0.07 -0.06 -0.04 3.93 3.74 2ar6A1 LEU 170 H -0.42 0.63 0.46 -0.55 8.37 8.49 2ar6A1 LEU 170 HA -0.31 0.20 0.95 -0.75 4.35 4.43 2ar6A1 LEU 170 HB2 -0.41 0.08 0.04 -0.04 1.64 1.31 2ar6A1 LEU 170 HB3 -1.16 -0.05 0.17 -0.04 1.64 0.57 2ar6A1 LEU 170 HG -0.35 -0.02 -0.24 -0.04 1.64 0.99 2ar6A1 LEU 170 HD13 -0.64 0.02 -0.24 -0.04 0.93 0.03 2ar6A1 LEU 170 HD23 -0.19 0.00 -0.11 -0.04 0.89 0.56 2ar6A1 ASN 171 H -0.16 0.66 0.36 -0.55 8.53 8.85 2ar6A1 ASN 171 HA -0.14 0.00 0.96 -0.75 4.76 4.82 2ar6A1 ASN 171 HB2 -0.05 0.00 0.06 -0.04 2.88 2.85 2ar6A1 ASN 171 HB3 -0.06 0.00 0.18 -0.04 2.79 2.87 2ar6A1 ASN 171 HD21 -0.03 -0.00 -0.13 -0.04 7.03 6.82 2ar6A1 ASN 171 HD22 -0.04 -0.04 -0.12 -0.04 7.74 7.50 2ar6A1 VAL 172 H -0.33 0.79 0.49 -0.55 8.24 8.63 2ar6A1 VAL 172 HA -0.18 0.34 1.31 -0.75 4.13 4.86 2ar6A1 VAL 172 HB -1.60 -0.05 0.07 -0.04 2.12 0.50 2ar6A1 VAL 172 HG13 -0.01 0.01 -0.18 -0.04 0.97 0.75 2ar6A1 VAL 172 HG23 -0.34 0.01 -0.24 -0.04 0.95 0.33 2ar6A1 LEU 173 H -0.08 0.69 0.41 -0.55 8.37 8.85 2ar6A1 LEU 173 HA -0.06 0.22 1.08 -0.75 4.35 4.84 2ar6A1 LEU 173 HB2 -0.04 -0.01 -0.01 -0.04 1.64 1.54 2ar6A1 LEU 173 HB3 -0.02 -0.02 0.21 -0.04 1.64 1.77 2ar6A1 LEU 173 HG -0.01 -0.05 -0.21 -0.04 1.64 1.33 2ar6A1 LEU 173 HD13 -0.01 0.02 -0.05 -0.04 0.93 0.85 2ar6A1 LEU 173 HD23 -0.02 0.00 -0.06 -0.04 0.89 0.77 2ar6A1 VAL 174 H 0.04 0.77 0.40 -0.55 8.24 8.90 2ar6A1 VAL 174 HA 0.09 0.37 1.17 -0.75 4.13 5.00 2ar6A1 VAL 174 HB 0.13 -0.05 0.19 -0.04 2.12 2.35 2ar6A1 VAL 174 HG13 0.34 0.00 -0.16 -0.04 0.97 1.12 2ar6A1 VAL 174 HG23 0.25 0.00 -0.09 -0.04 0.95 1.07 2ar6A1 THR 175 H 0.04 0.63 0.39 -0.55 8.28 8.79 2ar6A1 THR 175 HA -0.10 0.00 1.20 -0.75 4.39 4.74 2ar6A1 THR 175 HB -0.05 0.00 0.07 -0.04 4.32 4.30 2ar6A1 THR 175 HG23 -0.13 -0.01 -0.08 -0.04 1.22 0.96 2ar6A1 PHE 176 H -0.40 0.72 0.39 -0.55 8.34 8.49 2ar6A1 PHE 176 HA -0.24 0.33 1.10 -0.75 4.62 5.05 2ar6A1 PHE 176 HB2 -0.72 0.00 -0.06 -0.04 3.15 2.32 2ar6A1 PHE 176 HB3 -1.44 -0.06 0.15 -0.04 3.06 1.67 2ar6A1 PHE 176 HD2 -0.07 0.07 -0.13 -0.04 7.28 7.11 2ar6A1 PHE 176 HE2 0.00 0.16 -0.10 -0.04 7.38 7.40 2ar6A1 PHE 176 HZ -0.02 -0.01 0.05 -0.04 7.32 7.30 2ar6A1 ASN 177 H -0.71 0.48 0.19 -0.55 8.53 7.95 2ar6A1 ASN 177 HA -0.35 0.24 0.99 -0.75 4.76 4.88 2ar6A1 ASN 177 HB2 -0.23 0.06 0.04 -0.04 2.88 2.71 2ar6A1 ASN 177 HB3 -0.30 -0.10 0.24 -0.04 2.79 2.59 2ar6A1 ASN 177 HD21 -0.10 0.07 0.02 -0.04 7.03 6.98 2ar6A1 ASN 177 HD22 -0.12 0.04 0.02 -0.04 7.74 7.63 2ar6A1 PRO 178 HA -0.29 0.07 0.45 -0.51 4.44 4.16 2ar6A1 PRO 178 HB2 -0.00 0.07 -0.04 -0.04 2.28 2.26 2ar6A1 PRO 178 HB3 0.11 0.09 -0.11 -0.04 2.02 2.08 2ar6A1 PRO 178 HG2 -0.07 -0.01 -0.01 -0.04 2.03 1.90 2ar6A1 PRO 178 HG3 -0.01 0.20 -0.10 -0.04 2.03 2.08 2ar6A1 PRO 178 HD2 -0.17 0.03 0.29 -0.04 3.68 3.79 2ar6A1 PRO 178 HD3 -0.13 0.28 0.14 -0.04 3.65 3.90 2ar6A1 SER 179 H -0.17 0.05 -0.23 -0.55 8.46 7.57 2ar6A1 SER 179 HA -0.06 0.13 0.45 -0.75 4.49 4.25 2ar6A1 SER 179 HB2 -0.10 -0.11 0.08 -0.04 3.95 3.78 2ar6A1 SER 179 HB3 -0.06 0.07 -0.01 -0.04 3.93 3.89 2ar6A1 THR 180 H -0.18 -0.01 -0.10 -0.55 8.28 7.44 2ar6A1 THR 180 HA -0.09 0.26 0.70 -0.75 4.39 4.51 2ar6A1 THR 180 HB -0.09 0.04 0.07 -0.04 4.32 4.29 2ar6A1 THR 180 HG23 -0.08 0.01 -0.03 -0.04 1.22 1.07 2ar6A1 ARG 181 H -0.29 0.34 -0.09 -0.55 8.46 7.87 2ar6A1 ARG 181 HA -0.23 0.04 0.29 -0.75 4.34 3.69 2ar6A1 ARG 181 HB2 -0.04 0.29 0.02 -0.04 1.90 2.12 2ar6A1 ARG 181 HB3 0.06 -0.11 0.09 -0.04 1.80 1.79 2ar6A1 ARG 181 HG2 0.08 -0.06 0.01 -0.04 1.67 1.65 2ar6A1 ARG 181 HG3 -0.04 0.15 -0.30 -0.04 1.67 1.45 2ar6A1 ARG 181 HD2 -0.03 0.06 -0.12 -0.04 3.22 3.09 2ar6A1 ARG 181 HD3 0.01 -0.13 -0.15 -0.04 3.22 2.91 2ar6A1 ASN 182 H -0.25 0.01 -0.21 -0.55 8.53 7.53 2ar6A1 ASN 182 HA -0.01 0.00 0.74 -0.75 4.76 4.74 2ar6A1 ASN 182 HB2 -0.12 0.00 0.04 -0.04 2.88 2.76 2ar6A1 ASN 182 HB3 -0.05 0.00 -0.17 -0.04 2.79 2.53 2ar6A1 ASN 182 HD21 -0.05 0.05 -0.07 -0.04 7.03 6.92 2ar6A1 ASN 182 HD22 -0.08 -0.08 -0.06 -0.04 7.74 7.48 2ar6A1 LEU 183 H 0.15 0.83 0.39 -0.55 8.37 9.20 2ar6A1 LEU 183 HA 0.22 0.18 0.90 -0.75 4.35 4.89 2ar6A1 LEU 183 HB2 0.34 0.00 0.07 -0.04 1.64 2.01 2ar6A1 LEU 183 HB3 0.24 0.06 0.25 -0.04 1.64 2.15 2ar6A1 LEU 183 HG 0.19 -0.02 -0.21 -0.04 1.64 1.56 2ar6A1 LEU 183 HD13 0.27 0.02 -0.11 -0.04 0.93 1.07 2ar6A1 LEU 183 HD23 0.19 0.00 -0.11 -0.04 0.89 0.93 2ar6A1 ASP 184 H 0.04 0.65 0.37 -0.55 8.40 8.91 2ar6A1 ASP 184 HA 0.06 0.00 1.15 -0.75 4.63 5.09 2ar6A1 ASP 184 HB2 -0.00 0.00 0.09 -0.04 2.71 2.75 2ar6A1 ASP 184 HB3 0.02 0.00 -0.03 -0.04 2.70 2.65 2ar6A1 VAL 185 H 0.06 0.66 0.40 -0.55 8.24 8.81 2ar6A1 VAL 185 HA 0.07 0.26 1.20 -0.75 4.13 4.92 2ar6A1 VAL 185 HB 0.05 0.02 0.15 -0.04 2.12 2.30 2ar6A1 VAL 185 HG13 0.08 -0.01 -0.17 -0.04 0.97 0.83 2ar6A1 VAL 185 HG23 0.11 -0.01 -0.20 -0.04 0.95 0.81 2ar6A1 VAL 186 H 0.04 0.58 0.36 -0.55 8.24 8.67 2ar6A1 VAL 186 HA 0.06 0.33 1.09 -0.75 4.13 4.86 2ar6A1 VAL 186 HB 0.01 -0.05 0.19 -0.04 2.12 2.22 2ar6A1 VAL 186 HG13 0.02 -0.00 -0.11 -0.04 0.97 0.84 2ar6A1 VAL 186 HG23 0.02 -0.01 -0.15 -0.04 0.95 0.76 2ar6A1 ALA 187 H 0.12 0.73 0.40 -0.55 8.40 9.10 2ar6A1 ALA 187 HA -0.02 0.33 1.15 -0.75 4.34 5.05 2ar6A1 ALA 187 HB3 0.12 -0.01 -0.01 -0.04 1.41 1.47 2ar6A1 THR 188 H -0.07 0.59 0.39 -0.55 8.28 8.65 2ar6A1 THR 188 HA 0.07 0.00 1.14 -0.75 4.39 4.85 2ar6A1 THR 188 HB 0.03 0.00 -0.05 -0.04 4.32 4.26 2ar6A1 THR 188 HG23 0.01 0.01 -0.29 -0.04 1.22 0.91 2ar6A1 TYR 189 H 0.18 0.55 0.28 -0.55 8.29 8.75 2ar6A1 TYR 189 HA 0.05 0.30 0.84 -0.75 4.56 4.99 2ar6A1 TYR 189 HB2 0.10 -0.04 0.16 -0.04 3.06 3.23 2ar6A1 TYR 189 HB3 0.06 -0.04 0.14 -0.04 2.98 3.09 2ar6A1 TYR 189 HD2 0.19 0.06 -0.04 -0.04 7.15 7.31 2ar6A1 TYR 189 HE2 0.13 0.11 -0.06 -0.04 6.85 6.99 2ar6A1 SER 190 H 0.18 0.25 0.20 -0.55 8.46 8.55 2ar6A1 SER 190 HA 0.06 0.10 0.33 -0.75 4.49 4.23 2ar6A1 SER 190 HB2 0.04 0.06 0.11 -0.04 3.95 4.12 2ar6A1 SER 190 HB3 0.06 0.02 0.16 -0.04 3.93 4.13 2ar6A1 ASP 191 H 0.11 0.00 -0.32 -0.55 8.40 7.64 2ar6A1 ASP 191 HA 0.03 0.22 0.59 -0.75 4.63 4.72 2ar6A1 ASP 191 HB2 0.02 0.08 0.15 -0.04 2.71 2.91 2ar6A1 ASP 191 HB3 0.02 0.02 0.06 -0.04 2.70 2.76 2ar6A1 GLY 192 H 0.07 0.45 -0.41 -0.55 8.43 8.00 2ar6A1 GLY 192 HA2 0.03 0.02 0.24 -0.51 4.01 3.79 2ar6A1 GLY 192 HA3 0.02 0.21 0.69 -0.51 4.01 4.42 2ar6A1 THR 193 H 0.09 -0.01 -0.23 -0.55 8.28 7.58 2ar6A1 THR 193 HA -0.04 0.12 0.45 -0.75 4.39 4.16 2ar6A1 THR 193 HB 0.30 -0.15 0.12 -0.04 4.32 4.54 2ar6A1 THR 193 HG23 -0.11 0.03 -0.09 -0.04 1.22 1.00 2ar6A1 ARG 194 H -0.17 0.20 0.30 -0.55 8.46 8.23 2ar6A1 ARG 194 HA -0.03 0.00 1.13 -0.75 4.34 4.68 2ar6A1 ARG 194 HB2 -0.02 0.00 -0.05 -0.04 1.90 1.79 2ar6A1 ARG 194 HB3 -0.06 0.00 0.14 -0.04 1.80 1.84 2ar6A1 ARG 194 HG2 -0.00 -0.02 -0.24 -0.04 1.67 1.36 2ar6A1 ARG 194 HG3 0.02 0.00 -0.01 -0.04 1.67 1.64 2ar6A1 ARG 194 HD2 -0.00 0.00 -0.05 -0.04 3.22 3.12 2ar6A1 ARG 194 HD3 -0.01 0.02 -0.03 -0.04 3.22 3.16 2ar6A1 TYR 195 H 0.16 0.64 0.44 -0.55 8.29 8.98 2ar6A1 TYR 195 HA 0.10 0.21 0.93 -0.75 4.56 5.04 2ar6A1 TYR 195 HB2 0.11 -0.10 0.08 -0.04 3.06 3.10 2ar6A1 TYR 195 HB3 0.14 0.10 0.02 -0.04 2.98 3.20 2ar6A1 TYR 195 HD2 0.20 0.14 -0.04 -0.04 7.15 7.41 2ar6A1 TYR 195 HE2 0.29 0.01 -0.10 -0.04 6.85 7.00 2ar6A1 GLU 196 H 0.14 0.29 0.22 -0.55 8.60 8.70 2ar6A1 GLU 196 HA 0.09 0.36 1.16 -0.75 4.29 5.14 2ar6A1 GLU 196 HB2 0.05 0.00 0.05 -0.04 2.09 2.15 2ar6A1 GLU 196 HB3 0.05 0.02 0.09 -0.04 1.99 2.10 2ar6A1 GLU 196 HG2 0.04 0.03 -0.12 -0.04 2.34 2.25 2ar6A1 GLU 196 HG3 0.04 -0.09 -0.35 -0.04 2.34 1.91 2ar6A1 VAL 197 H 0.06 0.56 0.35 -0.55 8.24 8.67 2ar6A1 VAL 197 HA 0.07 0.14 0.59 -0.75 4.13 4.17 2ar6A1 VAL 197 HB 0.07 0.07 -0.21 -0.04 2.12 2.00 2ar6A1 VAL 197 HG13 0.02 -0.02 -0.22 -0.04 0.97 0.71 2ar6A1 VAL 197 HG23 0.06 0.03 -0.18 -0.04 0.95 0.83 2ar6A1 SER 198 H 0.08 0.32 0.21 -0.55 8.46 8.53 2ar6A1 SER 198 HA 0.11 0.27 0.89 -0.75 4.49 5.00 2ar6A1 SER 198 HB2 0.06 -0.02 0.04 -0.04 3.95 3.98 2ar6A1 SER 198 HB3 0.05 -0.09 -0.07 -0.04 3.93 3.78 2ar6A1 TYR 199 H 0.16 0.46 0.33 -0.55 8.29 8.69 2ar6A1 TYR 199 HA 0.03 0.12 0.68 -0.75 4.56 4.64 2ar6A1 TYR 199 HB2 0.04 0.08 -0.26 -0.04 3.06 2.89 2ar6A1 TYR 199 HB3 0.06 -0.06 -0.06 -0.04 2.98 2.88 2ar6A1 TYR 199 HD2 0.04 -0.05 -0.15 -0.04 7.15 6.95 2ar6A1 TYR 199 HE2 0.02 -0.02 0.00 -0.04 6.85 6.82 2ar6A1 GLU 200 H -0.58 0.21 0.17 -0.55 8.60 7.85 2ar6A1 GLU 200 HA -0.07 0.20 0.80 -0.75 4.29 4.47 2ar6A1 GLU 200 HB2 -0.15 -0.04 0.05 -0.04 2.09 1.91 2ar6A1 GLU 200 HB3 -0.29 -0.00 0.16 -0.04 1.99 1.81 2ar6A1 GLU 200 HG2 -0.10 -0.04 -0.21 -0.04 2.34 1.95 2ar6A1 GLU 200 HG3 -0.08 0.11 -0.02 -0.04 2.34 2.31 2ar6A1 VAL 201 H 0.11 0.76 0.37 -0.55 8.24 8.93 2ar6A1 VAL 201 HA 0.02 0.14 0.71 -0.75 4.13 4.25 2ar6A1 VAL 201 HB 0.36 0.09 -0.26 -0.04 2.12 2.27 2ar6A1 VAL 201 HG13 0.19 -0.02 -0.07 -0.04 0.97 1.03 2ar6A1 VAL 201 HG23 0.09 -0.03 -0.29 -0.04 0.95 0.69 2ar6A1 ASP 202 H 0.01 0.27 0.06 -0.55 8.40 8.19 2ar6A1 ASP 202 HA 0.04 0.16 0.71 -0.75 4.63 4.78 2ar6A1 ASP 202 HB2 -0.03 0.11 0.09 -0.04 2.71 2.83 2ar6A1 ASP 202 HB3 -0.06 0.02 0.21 -0.04 2.70 2.83 2ar6A1 VAL 203 H -0.07 0.29 0.07 -0.55 8.24 7.98 2ar6A1 VAL 203 HA -0.11 0.00 0.25 -0.75 4.13 3.51 2ar6A1 VAL 203 HB -0.11 0.00 -0.04 -0.04 2.12 1.93 2ar6A1 VAL 203 HG13 -0.63 -0.00 -0.05 -0.04 0.97 0.25 2ar6A1 VAL 203 HG23 -0.13 -0.02 -0.07 -0.04 0.95 0.69 2ar6A1 ARG 204 H -0.35 0.10 -0.37 -0.55 8.46 7.29 2ar6A1 ARG 204 HA -1.44 0.20 0.34 -0.75 4.34 2.68 2ar6A1 ARG 204 HB2 -0.56 -0.00 -0.05 -0.04 1.90 1.25 2ar6A1 ARG 204 HB3 -1.43 0.07 -0.03 -0.04 1.80 0.38 2ar6A1 ARG 204 HG2 -1.47 0.02 -0.07 -0.04 1.67 0.11 2ar6A1 ARG 204 HG3 -0.50 -0.13 -0.02 -0.04 1.67 0.97 2ar6A1 ARG 204 HD2 -0.47 0.03 -0.09 -0.04 3.22 2.65 2ar6A1 ARG 204 HD3 -0.18 0.05 -0.11 -0.04 3.22 2.94 2ar6A1 SER 205 H -0.20 0.29 -0.31 -0.55 8.46 7.69 2ar6A1 SER 205 HA -0.11 0.20 0.70 -0.75 4.49 4.53 2ar6A1 SER 205 HB2 -0.04 0.04 0.12 -0.04 3.95 4.03 2ar6A1 SER 205 HB3 -0.10 -0.06 0.02 -0.04 3.93 3.76 2ar6A1 VAL 206 H -0.07 0.14 -0.38 -0.55 8.24 7.38 2ar6A1 VAL 206 HA 0.02 0.28 0.98 -0.75 4.13 4.66 2ar6A1 VAL 206 HB -0.00 -0.11 0.00 -0.04 2.12 1.97 2ar6A1 VAL 206 HG13 0.03 0.01 -0.20 -0.04 0.97 0.77 2ar6A1 VAL 206 HG23 0.01 0.00 -0.18 -0.04 0.95 0.74 2ar6A1 LEU 207 H 0.07 0.43 0.13 -0.55 8.37 8.45 2ar6A1 LEU 207 HA 0.11 0.24 0.91 -0.75 4.35 4.86 2ar6A1 LEU 207 HB2 0.16 -0.06 -0.06 -0.04 1.64 1.64 2ar6A1 LEU 207 HB3 0.13 0.09 -0.08 -0.04 1.64 1.73 2ar6A1 LEU 207 HG 0.04 -0.12 -0.43 -0.04 1.64 1.09 2ar6A1 LEU 207 HD13 0.00 -0.04 -0.16 -0.04 0.93 0.69 2ar6A1 LEU 207 HD23 0.02 0.02 -0.26 -0.04 0.89 0.63 2ar6A1 PRO 208 HA 0.24 0.10 0.48 -0.51 4.44 4.75 2ar6A1 PRO 208 HB2 0.05 -0.08 0.14 -0.04 2.28 2.35 2ar6A1 PRO 208 HB3 0.09 0.05 0.12 -0.04 2.02 2.23 2ar6A1 PRO 208 HG2 0.08 0.21 -0.03 -0.04 2.03 2.26 2ar6A1 PRO 208 HG3 0.06 -0.01 0.12 -0.04 2.03 2.17 2ar6A1 PRO 208 HD2 0.10 0.06 0.11 -0.04 3.68 3.90 2ar6A1 PRO 208 HD3 0.10 0.19 0.13 -0.04 3.65 4.02 2ar6A1 GLU 209 H -0.35 0.11 0.16 -0.55 8.60 7.97 2ar6A1 GLU 209 HA -1.47 0.01 0.43 -0.75 4.29 2.51 2ar6A1 GLU 209 HB2 -0.29 -0.03 0.16 -0.04 2.09 1.88 2ar6A1 GLU 209 HB3 -0.63 0.19 0.20 -0.04 1.99 1.71 2ar6A1 GLU 209 HG2 -2.48 -0.01 -0.03 -0.04 2.34 -0.22 2ar6A1 GLU 209 HG3 -1.18 0.01 0.12 -0.04 2.34 1.25 2ar6A1 TRP 210 H 0.11 0.09 -0.07 -0.55 7.97 7.55 2ar6A1 TRP 210 HA -0.02 0.30 1.06 -0.75 4.62 5.20 2ar6A1 TRP 210 HB2 -0.10 -0.05 0.09 -0.04 3.23 3.12 2ar6A1 TRP 210 HB3 -0.08 0.05 -0.04 -0.04 3.23 3.11 2ar6A1 TRP 210 HD1 -0.20 -0.08 -0.03 -0.04 7.22 6.88 2ar6A1 TRP 210 HE1 -0.38 -0.03 -0.03 -0.04 10.20 9.72 2ar6A1 TRP 210 HE3 -0.06 -0.02 -0.48 -0.04 7.59 6.99 2ar6A1 TRP 210 HZ2 -0.54 -0.03 -0.05 -0.04 7.44 6.78 2ar6A1 TRP 210 HZ3 -0.04 0.14 -0.13 -0.04 7.13 7.07 2ar6A1 TRP 210 HH2 -0.15 0.17 -0.03 -0.04 7.19 7.13 2ar6A1 VAL 211 H 0.16 0.53 0.32 -0.55 8.24 8.71 2ar6A1 VAL 211 HA 0.06 0.16 0.93 -0.75 4.13 4.52 2ar6A1 VAL 211 HB -0.04 0.15 0.10 -0.04 2.12 2.29 2ar6A1 VAL 211 HG13 0.05 -0.02 -0.41 -0.04 0.97 0.55 2ar6A1 VAL 211 HG23 -0.02 -0.03 -0.19 -0.04 0.95 0.67 2ar6A1 ARG 212 H -0.07 0.70 0.25 -0.55 8.46 8.80 2ar6A1 ARG 212 HA -0.02 0.16 0.92 -0.75 4.34 4.64 2ar6A1 ARG 212 HB2 -0.08 0.04 -0.02 -0.04 1.90 1.79 2ar6A1 ARG 212 HB3 -0.10 0.02 0.03 -0.04 1.80 1.71 2ar6A1 ARG 212 HG2 -0.00 0.10 -0.03 -0.04 1.67 1.70 2ar6A1 ARG 212 HG3 -0.02 -0.16 -0.15 -0.04 1.67 1.30 2ar6A1 ARG 212 HD2 -0.05 0.18 0.04 -0.04 3.22 3.35 2ar6A1 ARG 212 HD3 -0.06 -0.00 -0.06 -0.04 3.22 3.06 2ar6A1 VAL 213 H -0.07 0.22 0.24 -0.55 8.24 8.08 2ar6A1 VAL 213 HA -0.54 0.35 1.13 -0.75 4.13 4.31 2ar6A1 VAL 213 HB -0.09 0.01 0.09 -0.04 2.12 2.09 2ar6A1 VAL 213 HG13 -0.30 -0.02 -0.17 -0.04 0.97 0.44 2ar6A1 VAL 213 HG23 -0.19 -0.02 -0.01 -0.04 0.95 0.69 2ar6A1 GLY 214 H -0.98 0.56 0.39 -0.55 8.43 7.86 2ar6A1 GLY 214 HA2 -0.45 -0.06 0.45 -0.51 4.01 3.44 2ar6A1 GLY 214 HA3 -0.44 0.35 0.66 -0.51 4.01 4.07 2ar6A1 PHE 215 H -0.04 0.50 0.41 -0.55 8.34 8.66 2ar6A1 PHE 215 HA -0.03 0.33 1.19 -0.75 4.62 5.36 2ar6A1 PHE 215 HB2 -0.30 -0.06 0.03 -0.04 3.15 2.78 2ar6A1 PHE 215 HB3 -0.25 0.01 0.03 -0.04 3.06 2.82 2ar6A1 PHE 215 HD2 -0.67 0.01 -0.18 -0.04 7.28 6.39 2ar6A1 PHE 215 HE2 -2.95 -0.03 -0.13 -0.04 7.38 4.24 2ar6A1 PHE 215 HZ -1.35 -0.04 -0.10 -0.04 7.32 5.79 2ar6A1 SER 216 H 0.05 0.54 0.44 -0.55 8.46 8.94 2ar6A1 SER 216 HA -0.06 0.00 1.07 -0.75 4.49 4.75 2ar6A1 SER 216 HB2 -0.48 0.00 -0.22 -0.04 3.95 3.21 2ar6A1 SER 216 HB3 -0.37 0.00 -0.04 -0.04 3.93 3.47 2ar6A1 ALA 217 H -0.14 0.62 0.42 -0.55 8.40 8.75 2ar6A1 ALA 217 HA -0.24 0.26 0.83 -0.75 4.34 4.43 2ar6A1 ALA 217 HB3 -0.49 -0.03 -0.00 -0.04 1.41 0.85 2ar6A1 ALA 218 H -0.35 0.42 0.34 -0.55 8.40 8.27 2ar6A1 ALA 218 HA -0.10 0.28 0.85 -0.75 4.34 4.62 2ar6A1 ALA 218 HB3 -0.05 -0.00 -0.09 -0.04 1.41 1.22 2ar6A1 SER 219 H 0.00 0.64 0.45 -0.55 8.46 9.00 2ar6A1 SER 219 HA 0.07 0.02 0.65 -0.75 4.49 4.48 2ar6A1 SER 219 HB2 0.10 -0.01 0.22 -0.04 3.95 4.22 2ar6A1 SER 219 HB3 0.15 0.16 0.13 -0.04 3.93 4.33 2ar6A1 GLY 220 H -0.05 0.16 0.06 -0.55 8.43 8.05 2ar6A1 GLY 220 HA2 -0.00 0.12 0.92 -0.51 4.01 4.54 2ar6A1 GLY 220 HA3 -0.05 -0.04 0.49 -0.51 4.01 3.90 2ar6A1 GLU 221 H -0.09 0.10 0.18 -0.55 8.60 8.25 2ar6A1 GLU 221 HA 0.03 0.13 0.52 -0.75 4.29 4.22 2ar6A1 GLU 221 HB2 -0.08 -0.05 0.11 -0.04 2.09 2.03 2ar6A1 GLU 221 HB3 -0.01 0.07 0.04 -0.04 1.99 2.04 2ar6A1 GLU 221 HG2 0.00 0.04 0.02 -0.04 2.34 2.37 2ar6A1 GLU 221 HG3 -0.02 -0.06 0.07 -0.04 2.34 2.29 2ar6A1 GLN 222 H -0.23 -0.09 -0.05 -0.55 8.47 7.56 2ar6A1 GLN 222 HA -0.29 0.18 0.70 -0.75 4.36 4.20 2ar6A1 GLN 222 HB2 -0.48 -0.11 -0.02 -0.04 2.15 1.50 2ar6A1 GLN 222 HB3 -0.26 0.20 0.07 -0.04 2.02 1.99 2ar6A1 GLN 222 HG2 -0.40 -0.15 -0.02 -0.04 2.40 1.79 2ar6A1 GLN 222 HG3 -0.23 0.06 0.01 -0.04 2.39 2.19 2ar6A1 GLN 222 HE21 -0.03 0.06 -0.06 -0.04 6.97 6.90 2ar6A1 GLN 222 HE22 -0.04 -0.05 -0.08 -0.04 7.69 7.49 2ar6A1 TYR 223 H -0.71 0.20 0.13 -0.55 8.29 7.35 2ar6A1 TYR 223 HA 0.01 0.36 0.85 -0.75 4.56 5.03 2ar6A1 TYR 223 HB2 0.01 0.06 -0.21 -0.04 3.06 2.88 2ar6A1 TYR 223 HB3 -0.00 0.09 -0.49 -0.04 2.98 2.54 2ar6A1 TYR 223 HD2 -0.01 0.05 -0.44 -0.04 7.15 6.71 2ar6A1 TYR 223 HE2 -0.01 0.03 -0.02 -0.04 6.85 6.81 2ar6A1 GLN 224 H 0.17 0.47 0.26 -0.55 8.47 8.82 2ar6A1 GLN 224 HA 0.07 0.14 0.59 -0.75 4.36 4.40 2ar6A1 GLN 224 HB2 -0.07 -0.01 -0.10 -0.04 2.15 1.93 2ar6A1 GLN 224 HB3 -0.02 -0.08 -0.20 -0.04 2.02 1.68 2ar6A1 GLN 224 HG2 -0.05 0.21 -0.28 -0.04 2.40 2.24 2ar6A1 GLN 224 HG3 -0.68 0.14 -0.47 -0.04 2.39 1.34 2ar6A1 GLN 224 HE21 0.23 0.05 -0.45 -0.04 6.97 6.76 2ar6A1 GLN 224 HE22 0.36 -0.11 -0.54 -0.04 7.69 7.35 2ar6A1 THR 225 H -0.01 0.54 0.37 -0.55 8.28 8.62 2ar6A1 THR 225 HA 0.04 0.15 0.58 -0.75 4.39 4.41 2ar6A1 THR 225 HB 0.03 0.02 -0.01 -0.04 4.32 4.31 2ar6A1 THR 225 HG23 0.03 0.05 -0.01 -0.04 1.22 1.25 2ar6A1 HIS 226 H 0.13 0.18 0.05 -0.55 8.41 8.23 2ar6A1 HIS 226 HA 0.07 0.18 0.77 -0.75 4.63 4.90 2ar6A1 HIS 226 HB2 -0.01 -0.12 0.15 -0.04 3.26 3.24 2ar6A1 HIS 226 HB3 -0.05 0.01 -0.01 -0.04 3.20 3.11 2ar6A1 HIS 226 HD2 0.02 -0.04 -0.31 -0.04 6.97 6.59 2ar6A1 HIS 226 HE1 0.05 0.11 -0.00 -0.04 7.75 7.86 2ar6A1 THR 227 H 0.12 0.63 0.14 -0.55 8.28 8.62 2ar6A1 THR 227 HA 0.03 0.32 0.98 -0.75 4.39 4.97 2ar6A1 THR 227 HB 0.09 -0.09 0.14 -0.04 4.32 4.43 2ar6A1 THR 227 HG23 0.06 0.02 -0.26 -0.04 1.22 0.99 2ar6A1 LEU 228 H -0.09 0.69 0.34 -0.55 8.37 8.77 2ar6A1 LEU 228 HA -0.01 0.06 0.82 -0.75 4.35 4.47 2ar6A1 LEU 228 HB2 -0.41 -0.02 0.03 -0.04 1.64 1.20 2ar6A1 LEU 228 HB3 -0.40 -0.01 0.19 -0.04 1.64 1.38 2ar6A1 LEU 228 HG -0.14 0.01 -0.23 -0.04 1.64 1.24 2ar6A1 LEU 228 HD13 -0.74 0.02 0.01 -0.04 0.93 0.18 2ar6A1 LEU 228 HD23 -0.97 -0.01 -0.11 -0.04 0.89 -0.24 2ar6A1 GLU 229 H 0.14 0.55 0.44 -0.55 8.60 9.19 2ar6A1 GLU 229 HA 0.22 0.18 0.83 -0.75 4.29 4.76 2ar6A1 GLU 229 HB2 0.13 -0.12 -0.00 -0.04 2.09 2.05 2ar6A1 GLU 229 HB3 0.13 0.06 0.01 -0.04 1.99 2.14 2ar6A1 GLU 229 HG2 0.10 0.08 -0.12 -0.04 2.34 2.36 2ar6A1 GLU 229 HG3 0.11 0.01 -0.24 -0.04 2.34 2.18 2ar6A1 SER 230 H 0.27 0.18 0.32 -0.55 8.46 8.69 2ar6A1 SER 230 HA 0.19 0.31 0.50 -0.75 4.49 4.73 2ar6A1 SER 230 HB2 0.15 0.01 0.15 -0.04 3.95 4.22 2ar6A1 SER 230 HB3 0.14 0.30 -0.09 -0.04 3.93 4.23 2ar6A1 TRP 231 H 0.34 0.67 0.25 -0.55 7.97 8.68 2ar6A1 TRP 231 HA 0.33 0.26 0.90 -0.75 4.62 5.36 2ar6A1 TRP 231 HB2 0.31 0.08 -0.18 -0.04 3.23 3.40 2ar6A1 TRP 231 HB3 0.45 -0.00 -0.03 -0.04 3.23 3.60 2ar6A1 TRP 231 HD1 0.45 0.15 0.07 -0.04 7.22 7.85 2ar6A1 TRP 231 HE1 0.32 -0.03 -0.09 -0.04 10.20 10.36 2ar6A1 TRP 231 HE3 0.21 0.01 -0.15 -0.04 7.59 7.62 2ar6A1 TRP 231 HZ2 0.18 -0.01 -0.16 -0.04 7.44 7.40 2ar6A1 TRP 231 HZ3 0.14 0.03 -0.17 -0.04 7.13 7.09 2ar6A1 TRP 231 HH2 0.13 0.13 -0.14 -0.04 7.19 7.27 2ar6A1 SER 232 H 0.47 0.79 0.47 -0.55 8.46 9.65 2ar6A1 SER 232 HA -0.15 0.00 1.08 -0.75 4.49 4.66 2ar6A1 SER 232 HB2 -0.07 0.03 0.16 -0.04 3.95 4.02 2ar6A1 SER 232 HB3 0.05 -0.05 -0.01 -0.04 3.93 3.88 2ar6A1 PHE 233 H -0.63 0.74 0.45 -0.55 8.34 8.35 2ar6A1 PHE 233 HA -0.22 0.38 1.11 -0.75 4.62 5.13 2ar6A1 PHE 233 HB2 -0.70 0.03 -0.15 -0.04 3.15 2.30 2ar6A1 PHE 233 HB3 -2.24 -0.01 0.06 -0.04 3.06 0.82 2ar6A1 PHE 233 HD2 -0.14 -0.04 -0.17 -0.04 7.28 6.89 2ar6A1 PHE 233 HE2 0.01 0.01 -0.17 -0.04 7.38 7.19 2ar6A1 PHE 233 HZ -0.19 0.03 -0.15 -0.04 7.32 6.96 2ar6A1 THR 234 H -0.87 0.58 0.44 -0.55 8.28 7.87 2ar6A1 THR 234 HA -0.28 0.00 1.01 -0.75 4.39 4.36 2ar6A1 THR 234 HB -0.20 0.05 0.00 -0.04 4.32 4.13 2ar6A1 THR 234 HG23 -0.18 0.00 0.02 -0.04 1.22 1.02 2ar6A1 SER 235 H -0.09 0.69 0.44 -0.55 8.46 8.95 2ar6A1 SER 235 HA -0.03 0.00 1.01 -0.75 4.49 4.71 2ar6A1 SER 235 HB2 0.15 0.00 0.01 -0.04 3.95 4.08 2ar6A1 SER 235 HB3 0.03 0.00 -0.14 -0.04 3.93 3.78 2ar6A1 THR 236 H 0.04 0.62 0.36 -0.55 8.28 8.75 2ar6A1 THR 236 HA 0.01 0.20 1.01 -0.75 4.39 4.85 2ar6A1 THR 236 HB -0.01 -0.03 0.11 -0.04 4.32 4.36 2ar6A1 THR 236 HG23 -0.00 0.05 -0.08 -0.04 1.22 1.14 2ar6A1 LEU 237 H -0.03 0.50 0.24 -0.55 8.37 8.54 2ar6A1 LEU 237 HA -0.06 0.03 0.39 -0.75 4.35 3.96 2ar6A1 LEU 237 HB2 -0.10 -0.03 0.18 -0.04 1.64 1.65 2ar6A1 LEU 237 HB3 -0.19 -0.03 -0.15 -0.04 1.64 1.24 2ar6A1 LEU 237 HG -0.19 0.17 -0.00 -0.04 1.64 1.57 2ar6A1 LEU 237 HD13 -0.47 -0.03 -0.11 -0.04 0.93 0.27 2ar6A1 LEU 237 HD23 -0.23 -0.03 -0.46 -0.04 0.89 0.13 2ar6A1 LEU 238 H -0.06 0.52 0.22 -0.55 8.37 8.50 2ar6A1 LEU 238 HA -0.04 0.17 0.95 -0.75 4.35 4.68 2ar6A1 LEU 238 HB2 -0.01 0.02 0.08 -0.04 1.64 1.69 2ar6A1 LEU 238 HB3 0.02 0.07 0.05 -0.04 1.64 1.74 2ar6A1 LEU 238 HG -0.01 0.05 -0.32 -0.04 1.64 1.31 2ar6A1 LEU 238 HD13 -0.02 -0.02 0.02 -0.04 0.93 0.87 2ar6A1 LEU 238 HD23 0.02 0.04 -0.00 -0.04 0.89 0.91 2ar6A1 TYR 239 H 0.18 0.13 0.17 -0.55 8.29 8.22 2ar6A1 TYR 239 HA 0.01 0.17 0.66 -0.75 4.56 4.64 2ar6A1 TYR 239 HB2 -0.00 -0.05 0.14 -0.04 3.06 3.10 2ar6A1 TYR 239 HB3 0.00 0.07 -0.00 -0.04 2.98 3.01 2ar6A1 TYR 239 HD2 0.00 0.04 0.02 -0.04 7.15 7.17 2ar6A1 TYR 239 HE2 0.01 0.05 0.00 -0.04 6.85 6.87 2ar6A1 THR 240 H 0.09 0.41 0.13 -0.55 8.28 8.36 2ar6A1 THR 240 HA 0.04 0.18 0.56 -0.75 4.39 4.41 2ar6A1 THR 240 HB 0.01 0.05 -0.03 -0.04 4.32 4.31 2ar6A1 THR 240 HG23 -0.02 0.03 0.04 -0.04 1.22 1.23