============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 17 0.900 10.884 4.645 -7.305 -99.200 -91.000 TYR 26 0.840 3.153 7.988 -3.831 -99.200 -91.000 TYR 31 0.840 -7.450 7.854 2.837 -99.200 -91.000 PHE 33 1.000 -9.405 15.462 -6.158 -99.200 -91.000 PHE 34 1.000 -13.567 9.038 -3.236 -99.200 -91.000 PHE 73 1.000 5.113 -6.087 -10.403 -99.200 -91.000 TYR 77 0.840 0.790 -11.441 4.428 -99.200 -91.000 TRP 108 1.040 8.801 -13.968 6.463 -99.200 -91.000 TRP6 108 1.020 10.492 -12.450 5.828 -99.200 -91.000 PHE 139 1.000 -11.199 1.636 0.823 -99.200 -91.000 PHE 142 1.000 4.146 6.723 4.115 -99.200 -91.000 HIS 150 0.900 17.357 -5.971 -0.789 -99.200 -91.000 PHE 152 1.000 5.475 -2.150 -1.677 -99.200 -91.000 PHE 154 1.000 0.034 -2.575 0.932 -99.200 -91.000 PHE 163 1.000 -5.628 4.990 10.418 -99.200 -91.000 HIS 166 0.900 -2.033 -5.927 4.841 -99.200 -91.000 PHE 168 1.000 2.672 -7.969 1.038 -99.200 -91.000 TRP 169 1.040 13.051 -10.270 0.730 -99.200 -91.000 TRP6 169 1.020 14.124 -9.214 2.547 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yt1A4 GLY 1 HA2 -0.01 -0.09 0.15 -0.51 4.01 3.56 2yt1A4 GLY 1 HA3 0.00 -0.01 0.15 -0.51 4.01 3.65 2yt1A4 SER 2 H 0.03 0.02 0.06 -0.55 8.46 8.03 2yt1A4 SER 2 HA 0.03 0.03 0.40 -0.75 4.49 4.19 2yt1A4 SER 2 HB2 0.04 -0.09 0.06 -0.04 3.95 3.92 2yt1A4 SER 2 HB3 0.07 -0.01 0.09 -0.04 3.93 4.03 2yt1A4 SER 3 H 0.03 -0.01 0.16 -0.55 8.46 8.09 2yt1A4 SER 3 HA 0.01 0.24 0.76 -0.75 4.49 4.75 2yt1A4 SER 3 HB2 0.02 -0.11 0.17 -0.04 3.95 3.99 2yt1A4 SER 3 HB3 0.02 0.06 0.00 -0.04 3.93 3.97 2yt1A4 GLY 4 H 0.03 -0.03 0.12 -0.55 8.43 8.01 2yt1A4 GLY 4 HA2 0.03 0.00 0.32 -0.51 4.01 3.85 2yt1A4 GLY 4 HA3 0.03 0.11 0.49 -0.51 4.01 4.13 2yt1A4 SER 5 H 0.02 0.11 0.15 -0.55 8.46 8.20 2yt1A4 SER 5 HA 0.02 -0.02 0.33 -0.75 4.49 4.06 2yt1A4 SER 5 HB2 0.01 0.11 -0.30 -0.04 3.95 3.74 2yt1A4 SER 5 HB3 0.01 -0.01 0.21 -0.04 3.93 4.11 2yt1A4 SER 6 H 0.02 0.09 -0.25 -0.55 8.46 7.78 2yt1A4 SER 6 HA 0.02 0.05 0.50 -0.75 4.49 4.30 2yt1A4 SER 6 HB2 0.03 -0.03 -0.16 -0.04 3.95 3.74 2yt1A4 SER 6 HB3 0.02 -0.03 -0.01 -0.04 3.93 3.87 2yt1A4 GLY 7 H 0.02 0.19 0.02 -0.55 8.43 8.11 2yt1A4 GLY 7 HA2 0.02 0.09 0.46 -0.51 4.01 4.07 2yt1A4 GLY 7 HA3 0.02 0.01 0.37 -0.51 4.01 3.90 2yt1A4 ASP 8 H 0.01 0.30 0.13 -0.55 8.40 8.30 2yt1A4 ASP 8 HA 0.01 0.07 0.42 -0.75 4.63 4.37 2yt1A4 ASP 8 HB2 0.01 0.10 -0.38 -0.04 2.71 2.40 2yt1A4 ASP 8 HB3 0.01 0.11 -0.19 -0.04 2.70 2.59 2yt1A4 ALA 9 H 0.01 0.13 0.12 -0.55 8.40 8.11 2yt1A4 ALA 9 HA 0.01 0.09 0.45 -0.75 4.34 4.14 2yt1A4 ALA 9 HB3 0.00 0.01 0.12 -0.04 1.41 1.50 2yt1A4 ALA 10 H 0.00 0.05 0.05 -0.55 8.40 7.96 2yt1A4 ALA 10 HA 0.00 0.15 0.79 -0.75 4.34 4.53 2yt1A4 ALA 10 HB3 0.00 0.03 0.04 -0.04 1.41 1.44 2yt1A4 VAL 11 H 0.00 0.13 0.13 -0.55 8.24 7.95 2yt1A4 VAL 11 HA 0.00 0.06 0.44 -0.75 4.13 3.88 2yt1A4 VAL 11 HB 0.00 0.07 0.09 -0.04 2.12 2.24 2yt1A4 VAL 11 HG13 0.00 0.01 -0.08 -0.04 0.97 0.86 2yt1A4 VAL 11 HG23 -0.00 0.02 0.05 -0.04 0.95 0.98 2yt1A4 THR 12 H -0.00 0.06 0.18 -0.55 8.28 7.97 2yt1A4 THR 12 HA -0.00 0.29 0.63 -0.75 4.39 4.55 2yt1A4 THR 12 HB -0.00 0.08 0.15 -0.04 4.32 4.50 2yt1A4 THR 12 HG23 0.00 0.06 0.05 -0.04 1.22 1.28 2yt1A4 PRO 13 HA -0.00 0.14 0.39 -0.51 4.44 4.46 2yt1A4 PRO 13 HB2 -0.01 0.06 0.03 -0.04 2.28 2.33 2yt1A4 PRO 13 HB3 -0.00 0.09 0.11 -0.04 2.02 2.17 2yt1A4 PRO 13 HG2 -0.00 0.01 0.02 -0.04 2.03 2.02 2yt1A4 PRO 13 HG3 -0.00 0.11 0.07 -0.04 2.03 2.17 2yt1A4 PRO 13 HD2 -0.00 0.05 0.24 -0.04 3.68 3.93 2yt1A4 PRO 13 HD3 -0.00 0.26 0.22 -0.04 3.65 4.09 2yt1A4 GLU 14 H -0.00 -0.01 -0.46 -0.55 8.60 7.59 2yt1A4 GLU 14 HA 0.01 0.27 0.72 -0.75 4.29 4.53 2yt1A4 GLU 14 HB2 -0.01 -0.04 0.05 -0.04 2.09 2.06 2yt1A4 GLU 14 HB3 -0.01 -0.03 -0.07 -0.04 1.99 1.84 2yt1A4 GLU 14 HG2 -0.01 0.02 -0.03 -0.04 2.34 2.28 2yt1A4 GLU 14 HG3 -0.01 0.07 -0.04 -0.04 2.34 2.33 2yt1A4 GLU 15 H -0.01 0.05 -0.09 -0.55 8.60 8.01 2yt1A4 GLU 15 HA -0.04 0.06 0.44 -0.75 4.29 3.99 2yt1A4 GLU 15 HB2 -0.01 0.01 0.19 -0.04 2.09 2.24 2yt1A4 GLU 15 HB3 -0.02 0.06 -0.01 -0.04 1.99 1.98 2yt1A4 GLU 15 HG2 -0.05 -0.01 0.04 -0.04 2.34 2.29 2yt1A4 GLU 15 HG3 -0.03 -0.02 0.05 -0.04 2.34 2.31 2yt1A4 ARG 16 H 0.00 0.39 -0.15 -0.55 8.46 8.15 2yt1A4 ARG 16 HA -0.00 0.02 0.27 -0.75 4.34 3.88 2yt1A4 ARG 16 HB2 0.01 0.05 -0.07 -0.04 1.90 1.86 2yt1A4 ARG 16 HB3 0.01 0.06 -0.08 -0.04 1.80 1.75 2yt1A4 ARG 16 HG2 0.00 -0.02 0.01 -0.04 1.67 1.62 2yt1A4 ARG 16 HG3 0.00 0.12 -0.02 -0.04 1.67 1.73 2yt1A4 ARG 16 HD2 0.00 -0.00 -0.07 -0.04 3.22 3.11 2yt1A4 ARG 16 HD3 0.00 0.02 -0.04 -0.04 3.22 3.17 2yt1A4 HIS 17 H 0.08 0.14 -0.79 -0.55 8.41 7.29 2yt1A4 HIS 17 HA -0.04 0.09 0.43 -0.75 4.63 4.35 2yt1A4 HIS 17 HB2 -0.05 0.02 0.04 -0.04 3.26 3.23 2yt1A4 HIS 17 HB3 -0.05 0.17 0.09 -0.04 3.20 3.36 2yt1A4 HIS 17 HD2 -0.09 -0.05 -0.00 -0.04 6.97 6.79 2yt1A4 HIS 17 HE1 -0.08 0.05 -0.13 -0.04 7.75 7.55 2yt1A4 LEU 18 H -0.11 0.24 -0.01 -0.55 8.37 7.94 2yt1A4 LEU 18 HA -0.43 0.08 0.45 -0.75 4.35 3.70 2yt1A4 LEU 18 HB2 -0.11 -0.02 0.23 -0.04 1.64 1.70 2yt1A4 LEU 18 HB3 -0.14 -0.01 -0.03 -0.04 1.64 1.42 2yt1A4 LEU 18 HG -0.17 0.05 -0.03 -0.04 1.64 1.45 2yt1A4 LEU 18 HD13 -0.11 -0.07 -0.13 -0.04 0.93 0.57 2yt1A4 LEU 18 HD23 -0.19 0.05 -0.20 -0.04 0.89 0.51 2yt1A4 SER 19 H -0.07 0.54 0.01 -0.55 8.46 8.39 2yt1A4 SER 19 HA -0.03 0.01 0.29 -0.75 4.49 4.01 2yt1A4 SER 19 HB2 -0.01 0.02 -0.03 -0.04 3.95 3.89 2yt1A4 SER 19 HB3 -0.02 -0.07 -0.01 -0.04 3.93 3.78 2yt1A4 LYS 20 H -0.04 0.35 -0.46 -0.55 8.42 7.71 2yt1A4 LYS 20 HA -0.00 -0.02 0.39 -0.75 4.32 3.94 2yt1A4 LYS 20 HB2 -0.02 0.24 0.12 -0.04 1.87 2.17 2yt1A4 LYS 20 HB3 0.01 -0.03 0.03 -0.04 1.79 1.76 2yt1A4 LYS 20 HG2 0.00 -0.09 0.07 -0.04 1.46 1.40 2yt1A4 LYS 20 HG3 0.00 0.35 0.14 -0.04 1.46 1.91 2yt1A4 LYS 20 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 2yt1A4 LYS 20 HD3 0.02 0.02 0.03 -0.04 1.68 1.71 2yt1A4 LYS 20 HE2 0.01 -0.00 0.03 -0.04 2.99 2.99 2yt1A4 LYS 20 HE3 0.01 -0.03 0.03 -0.04 2.99 2.95 2yt1A4 MET 21 H -0.09 0.45 -0.13 -0.55 8.47 8.14 2yt1A4 MET 21 HA 0.04 -0.05 0.40 -0.75 4.52 4.16 2yt1A4 MET 21 HB2 -0.10 0.18 0.17 -0.04 2.15 2.36 2yt1A4 MET 21 HB3 -0.01 -0.16 0.09 -0.04 2.03 1.91 2yt1A4 MET 21 HG2 -0.01 -0.03 0.03 -0.04 2.63 2.58 2yt1A4 MET 21 HG3 -0.28 0.22 0.15 -0.04 2.56 2.61 2yt1A4 MET 21 HE3 0.13 0.01 -0.07 -0.04 2.10 2.13 2yt1A4 GLN 22 H -0.02 0.42 -0.41 -0.55 8.47 7.92 2yt1A4 GLN 22 HA 0.03 0.08 0.46 -0.75 4.36 4.18 2yt1A4 GLN 22 HB2 -0.00 0.17 0.12 -0.04 2.15 2.40 2yt1A4 GLN 22 HB3 0.01 -0.05 -0.01 -0.04 2.02 1.93 2yt1A4 GLN 22 HG2 0.01 0.11 -0.14 -0.04 2.40 2.34 2yt1A4 GLN 22 HG3 -0.02 -0.07 -0.13 -0.04 2.39 2.12 2yt1A4 GLN 22 HE21 0.01 0.39 -0.25 -0.04 6.97 7.07 2yt1A4 GLN 22 HE22 0.01 0.26 -0.14 -0.04 7.69 7.78 2yt1A4 GLN 23 H 0.02 0.35 -0.15 -0.55 8.47 8.14 2yt1A4 GLN 23 HA 0.02 -0.01 0.43 -0.75 4.36 4.04 2yt1A4 GLN 23 HB2 0.02 0.09 0.32 -0.04 2.15 2.54 2yt1A4 GLN 23 HB3 0.02 -0.05 0.07 -0.04 2.02 2.01 2yt1A4 GLN 23 HG2 0.01 0.18 0.01 -0.04 2.40 2.55 2yt1A4 GLN 23 HG3 0.01 -0.07 0.04 -0.04 2.39 2.33 2yt1A4 GLN 23 HE21 0.00 -0.04 -0.08 -0.04 6.97 6.81 2yt1A4 GLN 23 HE22 0.00 -0.02 -0.03 -0.04 7.69 7.60 2yt1A4 ASN 24 H 0.05 0.19 0.12 -0.55 8.53 8.35 2yt1A4 ASN 24 HA 0.04 0.15 0.93 -0.75 4.76 5.13 2yt1A4 ASN 24 HB2 0.05 0.01 0.10 -0.04 2.88 3.00 2yt1A4 ASN 24 HB3 0.04 -0.03 -0.01 -0.04 2.79 2.75 2yt1A4 ASN 24 HD21 0.00 -0.02 0.00 -0.04 7.03 6.98 2yt1A4 ASN 24 HD22 0.00 -0.03 0.01 -0.04 7.74 7.69 2yt1A4 GLY 25 H 0.11 0.03 0.20 -0.55 8.43 8.22 2yt1A4 GLY 25 HA2 0.19 0.14 0.50 -0.51 4.01 4.33 2yt1A4 GLY 25 HA3 0.45 0.13 0.97 -0.51 4.01 5.05 2yt1A4 TYR 26 H 0.28 0.41 0.24 -0.55 8.29 8.67 2yt1A4 TYR 26 HA 0.12 0.12 0.91 -0.75 4.56 4.96 2yt1A4 TYR 26 HB2 0.05 0.02 -0.01 -0.04 3.06 3.07 2yt1A4 TYR 26 HB3 0.01 -0.01 0.13 -0.04 2.98 3.07 2yt1A4 TYR 26 HD2 0.04 -0.06 -0.00 -0.04 7.15 7.09 2yt1A4 TYR 26 HE2 0.02 -0.03 0.05 -0.04 6.85 6.86 2yt1A4 GLU 27 H 0.30 0.12 0.10 -0.55 8.60 8.57 2yt1A4 GLU 27 HA 0.20 0.06 0.76 -0.75 4.29 4.55 2yt1A4 GLU 27 HB2 0.11 -0.03 0.09 -0.04 2.09 2.22 2yt1A4 GLU 27 HB3 0.05 0.09 -0.01 -0.04 1.99 2.08 2yt1A4 GLU 27 HG2 -0.04 0.02 -0.00 -0.04 2.34 2.28 2yt1A4 GLU 27 HG3 0.09 0.00 0.05 -0.04 2.34 2.45 2yt1A4 ASN 28 H -0.04 0.73 0.39 -0.55 8.53 9.06 2yt1A4 ASN 28 HA -0.10 0.13 0.78 -0.75 4.76 4.81 2yt1A4 ASN 28 HB2 -0.10 -0.07 -0.20 -0.04 2.88 2.47 2yt1A4 ASN 28 HB3 0.06 0.02 0.31 -0.04 2.79 3.13 2yt1A4 ASN 28 HD21 0.14 0.37 0.09 -0.04 7.03 7.60 2yt1A4 ASN 28 HD22 0.05 -0.08 -0.07 -0.04 7.74 7.60 2yt1A4 PRO 29 HA 0.12 0.07 0.46 -0.51 4.44 4.58 2yt1A4 PRO 29 HB2 0.07 0.04 -0.00 -0.04 2.28 2.34 2yt1A4 PRO 29 HB3 0.10 0.04 0.10 -0.04 2.02 2.21 2yt1A4 PRO 29 HG2 0.10 0.02 0.15 -0.04 2.03 2.26 2yt1A4 PRO 29 HG3 0.14 0.07 0.11 -0.04 2.03 2.31 2yt1A4 PRO 29 HD2 0.15 0.10 0.33 -0.04 3.68 4.21 2yt1A4 PRO 29 HD3 0.24 0.42 0.28 -0.04 3.65 4.55 2yt1A4 THR 30 H 0.11 0.23 -0.01 -0.55 8.28 8.06 2yt1A4 THR 30 HA 0.21 0.02 0.36 -0.75 4.39 4.23 2yt1A4 THR 30 HB 0.08 0.07 0.12 -0.04 4.32 4.55 2yt1A4 THR 30 HG23 0.06 -0.02 -0.09 -0.04 1.22 1.13 2yt1A4 TYR 31 H 0.21 0.12 -0.65 -0.55 8.29 7.42 2yt1A4 TYR 31 HA 0.03 0.14 0.48 -0.75 4.56 4.45 2yt1A4 TYR 31 HB2 0.00 0.24 0.13 -0.04 3.06 3.39 2yt1A4 TYR 31 HB3 0.02 0.01 0.16 -0.04 2.98 3.14 2yt1A4 TYR 31 HD2 -0.00 0.13 -0.39 -0.04 7.15 6.84 2yt1A4 TYR 31 HE2 0.01 0.01 0.04 -0.04 6.85 6.87 2yt1A4 LYS 32 H 0.24 0.24 -0.01 -0.55 8.42 8.33 2yt1A4 LYS 32 HA 0.20 0.07 0.44 -0.75 4.32 4.28 2yt1A4 LYS 32 HB2 0.11 -0.03 0.00 -0.04 1.87 1.92 2yt1A4 LYS 32 HB3 0.12 -0.02 0.11 -0.04 1.79 1.96 2yt1A4 LYS 32 HG2 0.15 0.04 0.32 -0.04 1.46 1.92 2yt1A4 LYS 32 HG3 0.18 0.02 0.11 -0.04 1.46 1.73 2yt1A4 LYS 32 HD2 0.07 -0.02 0.01 -0.04 1.69 1.72 2yt1A4 LYS 32 HD3 0.09 -0.06 0.03 -0.04 1.68 1.71 2yt1A4 LYS 32 HE2 0.11 -0.01 -0.01 -0.04 2.99 3.04 2yt1A4 LYS 32 HE3 0.10 0.02 -0.06 -0.04 2.99 3.01 2yt1A4 PHE 33 H 0.28 0.69 -0.02 -0.55 8.34 8.73 2yt1A4 PHE 33 HA 0.04 0.01 0.33 -0.75 4.62 4.25 2yt1A4 PHE 33 HB2 0.06 -0.04 0.03 -0.04 3.15 3.15 2yt1A4 PHE 33 HB3 0.09 0.00 0.07 -0.04 3.06 3.18 2yt1A4 PHE 33 HD2 0.06 0.00 -0.04 -0.04 7.28 7.26 2yt1A4 PHE 33 HE2 0.03 -0.02 -0.03 -0.04 7.38 7.33 2yt1A4 PHE 33 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.25 2yt1A4 PHE 34 H 0.29 0.47 -0.20 -0.55 8.34 8.35 2yt1A4 PHE 34 HA -0.21 -0.02 0.41 -0.75 4.62 4.05 2yt1A4 PHE 34 HB2 -0.01 0.10 0.21 -0.04 3.15 3.40 2yt1A4 PHE 34 HB3 -0.16 0.08 0.14 -0.04 3.06 3.08 2yt1A4 PHE 34 HD2 -0.12 0.01 -0.04 -0.04 7.28 7.09 2yt1A4 PHE 34 HE2 -0.08 -0.03 0.00 -0.04 7.38 7.23 2yt1A4 PHE 34 HZ -0.05 -0.03 0.01 -0.04 7.32 7.20 2yt1A4 GLU 35 H 0.06 0.42 -0.34 -0.55 8.60 8.19 2yt1A4 GLU 35 HA -0.14 0.06 0.53 -0.75 4.29 3.99 2yt1A4 GLU 35 HB2 0.06 0.08 0.20 -0.04 2.09 2.38 2yt1A4 GLU 35 HB3 0.00 -0.12 0.18 -0.04 1.99 2.01 2yt1A4 GLU 35 HG2 -0.07 0.03 0.04 -0.04 2.34 2.29 2yt1A4 GLU 35 HG3 -0.17 -0.05 0.05 -0.04 2.34 2.14 2yt1A4 GLN 36 H -0.25 0.43 -0.86 -0.55 8.47 7.25 2yt1A4 GLN 36 HA -0.08 -0.04 0.42 -0.75 4.36 3.91 2yt1A4 GLN 36 HB2 -0.35 0.39 0.18 -0.04 2.15 2.33 2yt1A4 GLN 36 HB3 -0.22 -0.08 0.15 -0.04 2.02 1.83 2yt1A4 GLN 36 HG2 -0.08 -0.02 0.01 -0.04 2.40 2.27 2yt1A4 GLN 36 HG3 -0.16 -0.06 -0.00 -0.04 2.39 2.13 2yt1A4 GLN 36 HE21 -0.03 -0.10 -0.13 -0.04 6.97 6.66 2yt1A4 GLN 36 HE22 -0.03 -0.13 -1.18 -0.04 7.69 6.30 2yt1A4 MET 37 H -0.03 0.07 0.33 -0.55 8.47 8.29 2yt1A4 MET 37 HA -0.05 0.21 0.91 -0.75 4.52 4.83 2yt1A4 MET 37 HB2 -0.01 -0.02 0.15 -0.04 2.15 2.23 2yt1A4 MET 37 HB3 -0.02 -0.07 0.02 -0.04 2.03 1.92 2yt1A4 MET 37 HG2 -0.04 0.22 -0.26 -0.04 2.63 2.51 2yt1A4 MET 37 HG3 -0.01 -0.07 -0.02 -0.04 2.56 2.42 2yt1A4 MET 37 HE3 -0.02 -0.03 0.00 -0.04 2.10 2.01 2yt1A4 GLN 38 H -0.01 0.04 0.16 -0.55 8.47 8.12 2yt1A4 GLN 38 HA -0.01 0.07 0.54 -0.75 4.36 4.21 2yt1A4 GLN 38 HB2 0.00 0.00 0.07 -0.04 2.15 2.18 2yt1A4 GLN 38 HB3 0.00 0.00 0.13 -0.04 2.02 2.11 2yt1A4 GLN 38 HG2 0.00 -0.05 0.21 -0.04 2.40 2.52 2yt1A4 GLN 38 HG3 0.01 0.02 0.17 -0.04 2.39 2.55 2yt1A4 GLN 38 HE21 0.01 -0.01 0.09 -0.04 6.97 7.02 2yt1A4 GLN 38 HE22 0.02 -0.00 0.04 -0.04 7.69 7.70 2yt1A4 ASN 39 H -0.01 0.30 0.16 -0.55 8.53 8.43 2yt1A4 ASN 39 HA -0.01 0.17 0.89 -0.75 4.76 5.05 2yt1A4 ASN 39 HB2 -0.02 -0.03 0.03 -0.04 2.88 2.82 2yt1A4 ASN 39 HB3 -0.03 0.04 -0.18 -0.04 2.79 2.58 2yt1A4 ASN 39 HD21 -0.04 -0.00 -0.03 -0.04 7.03 6.91 2yt1A4 ASN 39 HD22 -0.03 -0.03 0.05 -0.04 7.74 7.69 2yt1A4 SER 40 H -0.00 0.28 0.02 -0.55 8.46 8.21 2yt1A4 SER 40 HA -0.00 0.16 0.81 -0.75 4.49 4.71 2yt1A4 SER 40 HB2 -0.00 -0.03 -0.21 -0.04 3.95 3.66 2yt1A4 SER 40 HB3 -0.00 -0.01 -0.05 -0.04 3.93 3.83 2yt1A4 GLY 41 H -0.00 0.26 0.17 -0.55 8.43 8.31 2yt1A4 GLY 41 HA2 0.00 0.05 0.43 -0.51 4.01 3.98 2yt1A4 GLY 41 HA3 0.00 0.09 0.32 -0.51 4.01 3.92 2yt1A4 PRO 42 HA 0.00 0.04 0.43 -0.51 4.44 4.40 2yt1A4 PRO 42 HB2 0.00 0.02 0.06 -0.04 2.28 2.32 2yt1A4 PRO 42 HB3 0.00 0.02 0.12 -0.04 2.02 2.12 2yt1A4 PRO 42 HG2 0.00 0.06 -0.01 -0.04 2.03 2.05 2yt1A4 PRO 42 HG3 0.00 0.04 0.06 -0.04 2.03 2.10 2yt1A4 PRO 42 HD2 0.00 0.14 0.20 -0.04 3.68 3.98 2yt1A4 PRO 42 HD3 0.00 0.12 0.17 -0.04 3.65 3.90 2yt1A4 SER 43 H 0.00 0.08 0.16 -0.55 8.46 8.16 2yt1A4 SER 43 HA 0.00 0.01 0.36 -0.75 4.49 4.11 2yt1A4 SER 43 HB2 0.00 -0.07 -0.10 -0.04 3.95 3.74 2yt1A4 SER 43 HB3 0.00 0.18 0.09 -0.04 3.93 4.15 2yt1A4 SER 44 H -0.00 -0.05 -0.10 -0.55 8.46 7.76 2yt1A4 SER 44 HA -0.00 0.19 0.59 -0.75 4.49 4.52 2yt1A4 SER 44 HB2 -0.00 0.19 0.04 -0.04 3.95 4.14 2yt1A4 SER 44 HB3 -0.00 -0.07 -0.04 -0.04 3.93 3.78 2yt1A4 GLY 45 H -0.00 0.22 0.16 -0.55 8.43 8.26 2yt1A4 GLY 45 HA2 -0.00 0.15 0.95 -0.51 4.01 4.60 2yt1A4 GLY 45 HA3 -0.00 0.03 0.30 -0.51 4.01 3.83 2yt1A4 ILE 46 H -0.00 0.17 0.03 -0.55 8.25 7.90 2yt1A4 ILE 46 HA -0.00 0.25 0.87 -0.75 4.18 4.54 2yt1A4 ILE 46 HB -0.00 -0.02 0.13 -0.04 1.89 1.96 2yt1A4 ILE 46 HG12 -0.00 0.01 -0.07 -0.04 1.49 1.39 2yt1A4 ILE 46 HG13 -0.00 0.17 -0.31 -0.04 1.21 1.03 2yt1A4 ILE 46 HG23 -0.00 0.01 0.05 -0.04 0.93 0.95 2yt1A4 ILE 46 HD13 -0.00 -0.05 -0.29 -0.04 0.88 0.50 2yt1A4 GLU 47 H -0.00 0.14 -0.09 -0.55 8.60 8.10 2yt1A4 GLU 47 HA -0.00 0.18 0.81 -0.75 4.29 4.52 2yt1A4 GLU 47 HB2 -0.00 -0.03 0.04 -0.04 2.09 2.06 2yt1A4 GLU 47 HB3 -0.00 0.02 0.02 -0.04 1.99 1.98 2yt1A4 GLU 47 HG2 -0.00 -0.01 -0.07 -0.04 2.34 2.22 2yt1A4 GLU 47 HG3 -0.00 0.01 0.08 -0.04 2.34 2.39 2yt1A4 GLY 48 H -0.00 0.16 0.12 -0.55 8.43 8.17 2yt1A4 GLY 48 HA2 -0.00 -0.01 0.32 -0.51 4.01 3.81 2yt1A4 GLY 48 HA3 -0.00 0.18 0.65 -0.51 4.01 4.33 2yt1A4 ARG 49 H -0.00 0.17 0.01 -0.55 8.46 8.09 2yt1A4 ARG 49 HA -0.00 0.24 0.91 -0.75 4.34 4.73 2yt1A4 ARG 49 HB2 -0.00 -0.01 0.10 -0.04 1.90 1.94 2yt1A4 ARG 49 HB3 -0.00 0.05 0.24 -0.04 1.80 2.05 2yt1A4 ARG 49 HG2 -0.00 0.08 -0.03 -0.04 1.67 1.68 2yt1A4 ARG 49 HG3 -0.00 -0.07 -0.12 -0.04 1.67 1.43 2yt1A4 ARG 49 HD2 -0.00 0.02 0.05 -0.04 3.22 3.25 2yt1A4 ARG 49 HD3 -0.00 0.00 0.01 -0.04 3.22 3.19 2yt1A4 GLY 50 H -0.00 0.08 -0.31 -0.55 8.43 7.65 2yt1A4 GLY 50 HA2 -0.00 -0.01 0.35 -0.51 4.01 3.84 2yt1A4 GLY 50 HA3 -0.00 0.11 0.41 -0.51 4.01 4.03 2yt1A4 SER 51 H -0.00 0.18 0.12 -0.55 8.46 8.21 2yt1A4 SER 51 HA -0.00 0.21 0.89 -0.75 4.49 4.83 2yt1A4 SER 51 HB2 -0.00 -0.04 0.01 -0.04 3.95 3.88 2yt1A4 SER 51 HB3 -0.00 0.04 -0.07 -0.04 3.93 3.86 2yt1A4 SER 52 H -0.00 0.25 0.15 -0.55 8.46 8.32 2yt1A4 SER 52 HA -0.00 0.16 0.86 -0.75 4.49 4.76 2yt1A4 SER 52 HB2 -0.00 -0.02 -0.18 -0.04 3.95 3.71 2yt1A4 SER 52 HB3 -0.00 0.00 0.00 -0.04 3.93 3.90 2yt1A4 GLY 53 H -0.00 0.28 0.17 -0.55 8.43 8.33 2yt1A4 GLY 53 HA2 -0.00 0.06 0.34 -0.51 4.01 3.89 2yt1A4 GLY 53 HA3 -0.00 0.08 0.46 -0.51 4.01 4.04 2yt1A4 SER 54 H -0.00 0.18 0.18 -0.55 8.46 8.27 2yt1A4 SER 54 HA -0.00 0.21 0.99 -0.75 4.49 4.94 2yt1A4 SER 54 HB2 -0.00 0.02 0.04 -0.04 3.95 3.97 2yt1A4 SER 54 HB3 -0.00 0.01 -0.03 -0.04 3.93 3.87 2yt1A4 SER 55 H -0.00 0.27 0.17 -0.55 8.46 8.35 2yt1A4 SER 55 HA -0.00 0.09 0.58 -0.75 4.49 4.40 2yt1A4 SER 55 HB2 -0.01 -0.02 -0.13 -0.04 3.95 3.76 2yt1A4 SER 55 HB3 -0.01 0.00 -0.09 -0.04 3.93 3.80 2yt1A4 GLY 56 H -0.01 0.20 0.07 -0.55 8.43 8.15 2yt1A4 GLY 56 HA2 -0.01 0.17 0.97 -0.51 4.01 4.63 2yt1A4 GLY 56 HA3 -0.00 0.03 0.32 -0.51 4.01 3.84 2yt1A4 SER 57 H -0.01 0.14 0.09 -0.55 8.46 8.13 2yt1A4 SER 57 HA -0.01 0.09 0.59 -0.75 4.49 4.40 2yt1A4 SER 57 HB2 -0.02 -0.00 0.07 -0.04 3.95 3.96 2yt1A4 SER 57 HB3 -0.02 0.10 0.04 -0.04 3.93 4.01 2yt1A4 SER 58 H -0.01 0.13 0.19 -0.55 8.46 8.22 2yt1A4 SER 58 HA -0.01 0.17 0.92 -0.75 4.49 4.83 2yt1A4 SER 58 HB2 -0.00 -0.00 0.05 -0.04 3.95 3.96 2yt1A4 SER 58 HB3 -0.00 0.03 0.10 -0.04 3.93 4.01 2yt1A4 GLY 59 H -0.00 0.09 0.15 -0.55 8.43 8.12 2yt1A4 GLY 59 HA2 -0.02 0.08 0.52 -0.51 4.01 4.08 2yt1A4 GLY 59 HA3 -0.00 0.04 0.32 -0.51 4.01 3.86 2yt1A4 SER 60 H -0.01 0.17 0.22 -0.55 8.46 8.29 2yt1A4 SER 60 HA 0.00 0.19 0.93 -0.75 4.49 4.86 2yt1A4 SER 60 HB2 -0.02 0.01 0.09 -0.04 3.95 3.99 2yt1A4 SER 60 HB3 -0.00 -0.02 -0.03 -0.04 3.93 3.84 2yt1A4 SER 61 H 0.01 0.19 0.05 -0.55 8.46 8.17 2yt1A4 SER 61 HA 0.04 0.04 0.61 -0.75 4.49 4.42 2yt1A4 SER 61 HB2 0.03 -0.06 -0.06 -0.04 3.95 3.81 2yt1A4 SER 61 HB3 0.03 0.10 0.01 -0.04 3.93 4.03 2yt1A4 GLY 62 H 0.03 0.09 0.08 -0.55 8.43 8.09 2yt1A4 GLY 62 HA2 0.02 0.04 0.44 -0.51 4.01 4.00 2yt1A4 GLY 62 HA3 0.03 0.04 0.36 -0.51 4.01 3.93 2yt1A4 PRO 63 HA 0.01 0.07 0.47 -0.51 4.44 4.49 2yt1A4 PRO 63 HB2 0.01 0.03 -0.05 -0.04 2.28 2.23 2yt1A4 PRO 63 HB3 0.01 0.02 0.11 -0.04 2.02 2.11 2yt1A4 PRO 63 HG2 0.01 0.03 0.09 -0.04 2.03 2.12 2yt1A4 PRO 63 HG3 0.01 0.02 0.08 -0.04 2.03 2.10 2yt1A4 PRO 63 HD2 0.02 0.06 0.23 -0.04 3.68 3.95 2yt1A4 PRO 63 HD3 0.01 0.12 0.20 -0.04 3.65 3.94 2yt1A4 THR 64 H 0.01 0.19 0.21 -0.55 8.28 8.14 2yt1A4 THR 64 HA 0.01 0.16 0.85 -0.75 4.39 4.66 2yt1A4 THR 64 HB 0.01 0.03 0.05 -0.04 4.32 4.38 2yt1A4 THR 64 HG23 0.02 0.07 -0.18 -0.04 1.22 1.09 2yt1A4 PRO 65 HA 0.00 0.08 0.40 -0.51 4.44 4.41 2yt1A4 PRO 65 HB2 0.00 -0.02 0.00 -0.04 2.28 2.22 2yt1A4 PRO 65 HB3 0.00 0.04 0.09 -0.04 2.02 2.10 2yt1A4 PRO 65 HG2 0.00 0.00 -0.04 -0.04 2.03 1.96 2yt1A4 PRO 65 HG3 0.00 0.05 0.04 -0.04 2.03 2.08 2yt1A4 PRO 65 HD2 0.01 0.13 0.21 -0.04 3.68 3.98 2yt1A4 PRO 65 HD3 0.01 0.16 0.14 -0.04 3.65 3.92 2yt1A4 LYS 66 H 0.00 0.13 0.08 -0.55 8.42 8.08 2yt1A4 LYS 66 HA 0.00 0.24 0.93 -0.75 4.32 4.73 2yt1A4 LYS 66 HB2 0.00 0.04 0.01 -0.04 1.87 1.88 2yt1A4 LYS 66 HB3 -0.00 -0.04 0.19 -0.04 1.79 1.89 2yt1A4 LYS 66 HG2 -0.00 -0.04 -0.14 -0.04 1.46 1.24 2yt1A4 LYS 66 HG3 -0.00 0.08 -0.07 -0.04 1.46 1.43 2yt1A4 LYS 66 HD2 -0.00 0.01 -0.01 -0.04 1.69 1.65 2yt1A4 LYS 66 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.59 2yt1A4 LYS 66 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.91 2yt1A4 LYS 66 HE3 -0.00 0.01 -0.05 -0.04 2.99 2.91 2yt1A4 THR 67 H -0.00 0.26 0.02 -0.55 8.28 8.02 2yt1A4 THR 67 HA -0.00 0.04 0.63 -0.75 4.39 4.30 2yt1A4 THR 67 HB -0.00 0.06 0.15 -0.04 4.32 4.48 2yt1A4 THR 67 HG23 -0.01 -0.04 0.02 -0.04 1.22 1.15 2yt1A4 GLU 68 H -0.01 0.12 0.21 -0.55 8.60 8.38 2yt1A4 GLU 68 HA -0.01 0.24 0.84 -0.75 4.29 4.61 2yt1A4 GLU 68 HB2 -0.01 0.00 0.04 -0.04 2.09 2.09 2yt1A4 GLU 68 HB3 -0.01 -0.01 0.18 -0.04 1.99 2.11 2yt1A4 GLU 68 HG2 -0.01 0.03 0.02 -0.04 2.34 2.34 2yt1A4 GLU 68 HG3 -0.01 0.03 -0.34 -0.04 2.34 1.98 2yt1A4 LEU 69 H -0.01 -0.02 0.07 -0.55 8.37 7.85 2yt1A4 LEU 69 HA -0.02 0.23 0.82 -0.75 4.35 4.63 2yt1A4 LEU 69 HB2 -0.02 0.02 0.12 -0.04 1.64 1.72 2yt1A4 LEU 69 HB3 -0.01 -0.01 0.08 -0.04 1.64 1.65 2yt1A4 LEU 69 HG -0.01 -0.10 0.05 -0.04 1.64 1.53 2yt1A4 LEU 69 HD13 -0.01 0.01 -0.19 -0.04 0.93 0.70 2yt1A4 LEU 69 HD23 -0.01 0.01 0.01 -0.04 0.89 0.87 2yt1A4 VAL 70 H -0.03 0.22 0.16 -0.55 8.24 8.04 2yt1A4 VAL 70 HA -0.02 0.18 0.60 -0.75 4.13 4.13 2yt1A4 VAL 70 HB -0.02 0.13 -0.23 -0.04 2.12 1.95 2yt1A4 VAL 70 HG13 -0.04 -0.02 -0.11 -0.04 0.97 0.77 2yt1A4 VAL 70 HG23 -0.03 -0.01 -0.33 -0.04 0.95 0.54 2yt1A4 GLN 71 H -0.02 0.66 0.24 -0.55 8.47 8.80 2yt1A4 GLN 71 HA -0.20 0.14 0.97 -0.75 4.36 4.52 2yt1A4 GLN 71 HB2 0.09 0.02 0.22 -0.04 2.15 2.45 2yt1A4 GLN 71 HB3 -0.23 0.00 -0.00 -0.04 2.02 1.75 2yt1A4 GLN 71 HG2 -0.07 0.01 0.01 -0.04 2.40 2.31 2yt1A4 GLN 71 HG3 -0.04 -0.05 -0.17 -0.04 2.39 2.09 2yt1A4 GLN 71 HE21 0.04 0.04 -0.03 -0.04 6.97 6.97 2yt1A4 GLN 71 HE22 0.02 -0.04 -0.05 -0.04 7.69 7.57 2yt1A4 LYS 72 H -0.31 0.20 0.16 -0.55 8.42 7.90 2yt1A4 LYS 72 HA -0.09 0.36 0.99 -0.75 4.32 4.82 2yt1A4 LYS 72 HB2 -0.13 -0.03 0.14 -0.04 1.87 1.81 2yt1A4 LYS 72 HB3 -0.07 0.05 -0.05 -0.04 1.79 1.68 2yt1A4 LYS 72 HG2 -0.05 0.03 -0.16 -0.04 1.46 1.25 2yt1A4 LYS 72 HG3 -0.08 -0.03 -0.23 -0.04 1.46 1.08 2yt1A4 LYS 72 HD2 -0.03 0.03 -0.06 -0.04 1.69 1.58 2yt1A4 LYS 72 HD3 -0.03 0.01 -0.08 -0.04 1.68 1.54 2yt1A4 LYS 72 HE2 -0.03 0.01 -0.04 -0.04 2.99 2.89 2yt1A4 LYS 72 HE3 -0.05 -0.00 -0.05 -0.04 2.99 2.84 2yt1A4 PHE 73 H 0.10 0.43 0.26 -0.55 8.34 8.58 2yt1A4 PHE 73 HA 0.00 0.20 0.93 -0.75 4.62 5.00 2yt1A4 PHE 73 HB2 -0.01 -0.02 0.03 -0.04 3.15 3.11 2yt1A4 PHE 73 HB3 0.00 0.00 0.05 -0.04 3.06 3.07 2yt1A4 PHE 73 HD2 -0.02 0.07 -0.05 -0.04 7.28 7.24 2yt1A4 PHE 73 HE2 -0.04 -0.01 -0.08 -0.04 7.38 7.21 2yt1A4 PHE 73 HZ -0.04 0.01 -0.02 -0.04 7.32 7.22 2yt1A4 ARG 74 H 0.21 0.14 0.19 -0.55 8.46 8.45 2yt1A4 ARG 74 HA 0.12 0.27 1.04 -0.75 4.34 5.02 2yt1A4 ARG 74 HB2 0.09 0.02 0.03 -0.04 1.90 2.00 2yt1A4 ARG 74 HB3 0.12 -0.05 0.19 -0.04 1.80 2.03 2yt1A4 ARG 74 HG2 0.12 0.12 0.03 -0.04 1.67 1.91 2yt1A4 ARG 74 HG3 0.10 -0.03 -0.01 -0.04 1.67 1.69 2yt1A4 ARG 74 HD2 0.17 -0.04 -0.32 -0.04 3.22 2.98 2yt1A4 ARG 74 HD3 0.17 0.01 -0.19 -0.04 3.22 3.16 2yt1A4 VAL 75 H 0.16 0.67 0.34 -0.55 8.24 8.86 2yt1A4 VAL 75 HA 0.27 0.17 0.65 -0.75 4.13 4.47 2yt1A4 VAL 75 HB 0.31 0.03 0.04 -0.04 2.12 2.46 2yt1A4 VAL 75 HG13 0.15 -0.08 -0.36 -0.04 0.97 0.64 2yt1A4 VAL 75 HG23 0.14 0.01 -0.34 -0.04 0.95 0.71 2yt1A4 GLN 76 H 0.42 0.30 0.31 -0.55 8.47 8.95 2yt1A4 GLN 76 HA 0.32 0.16 0.93 -0.75 4.36 5.01 2yt1A4 GLN 76 HB2 0.54 -0.11 0.08 -0.04 2.15 2.61 2yt1A4 GLN 76 HB3 0.48 0.08 -0.15 -0.04 2.02 2.39 2yt1A4 GLN 76 HG2 0.28 0.17 -0.20 -0.04 2.40 2.61 2yt1A4 GLN 76 HG3 0.29 -0.07 -0.26 -0.04 2.39 2.30 2yt1A4 GLN 76 HE21 0.14 0.28 0.05 -0.04 6.97 7.40 2yt1A4 GLN 76 HE22 -0.10 -0.10 -0.05 -0.04 7.69 7.40 2yt1A4 TYR 77 H 0.33 0.44 -0.00 -0.55 8.29 8.50 2yt1A4 TYR 77 HA -0.16 0.23 1.03 -0.75 4.56 4.91 2yt1A4 TYR 77 HB2 0.29 -0.03 -0.07 -0.04 3.06 3.20 2yt1A4 TYR 77 HB3 0.10 0.09 0.15 -0.04 2.98 3.28 2yt1A4 TYR 77 HD2 -0.40 0.11 0.05 -0.04 7.15 6.87 2yt1A4 TYR 77 HE2 -0.12 0.10 -0.06 -0.04 6.85 6.73 2yt1A4 LEU 78 H -0.53 0.33 0.07 -0.55 8.37 7.69 2yt1A4 LEU 78 HA -1.15 0.13 0.41 -0.75 4.35 2.98 2yt1A4 LEU 78 HB2 -0.67 -0.01 -0.01 -0.04 1.64 0.91 2yt1A4 LEU 78 HB3 -0.73 0.03 -0.12 -0.04 1.64 0.78 2yt1A4 LEU 78 HG -3.50 0.07 -0.16 -0.04 1.64 -1.99 2yt1A4 LEU 78 HD13 -0.65 -0.02 -0.32 -0.04 0.93 -0.09 2yt1A4 LEU 78 HD23 -0.69 -0.02 -0.13 -0.04 0.89 0.02 2yt1A4 GLY 79 H -1.01 0.10 -0.00 -0.55 8.43 6.97 2yt1A4 GLY 79 HA2 -1.22 0.04 0.19 -0.51 4.01 2.50 2yt1A4 GLY 79 HA3 -0.46 0.24 0.80 -0.51 4.01 4.08 2yt1A4 MET 80 H -0.11 0.21 0.12 -0.55 8.47 8.15 2yt1A4 MET 80 HA -0.08 0.16 0.93 -0.75 4.52 4.78 2yt1A4 MET 80 HB2 0.26 0.00 -0.05 -0.04 2.15 2.32 2yt1A4 MET 80 HB3 0.03 0.02 0.08 -0.04 2.03 2.12 2yt1A4 MET 80 HG2 -0.17 0.01 -0.24 -0.04 2.63 2.19 2yt1A4 MET 80 HG3 -0.29 -0.02 -0.11 -0.04 2.56 2.09 2yt1A4 MET 80 HE3 -0.02 0.01 -0.14 -0.04 2.10 1.90 2yt1A4 LEU 81 H -0.20 0.38 0.14 -0.55 8.37 8.14 2yt1A4 LEU 81 HA -0.08 0.24 0.96 -0.75 4.35 4.71 2yt1A4 LEU 81 HB2 -0.14 -0.04 -0.16 -0.04 1.64 1.27 2yt1A4 LEU 81 HB3 -0.11 -0.05 0.03 -0.04 1.64 1.47 2yt1A4 LEU 81 HG -0.07 0.04 0.01 -0.04 1.64 1.57 2yt1A4 LEU 81 HD13 -0.05 0.01 -0.11 -0.04 0.93 0.74 2yt1A4 LEU 81 HD23 -0.07 0.01 -0.04 -0.04 0.89 0.75 2yt1A4 PRO 82 HA -0.04 0.04 0.53 -0.51 4.44 4.46 2yt1A4 PRO 82 HB2 -0.02 0.06 -0.03 -0.04 2.28 2.25 2yt1A4 PRO 82 HB3 -0.03 0.01 0.08 -0.04 2.02 2.03 2yt1A4 PRO 82 HG2 -0.03 0.02 0.11 -0.04 2.03 2.09 2yt1A4 PRO 82 HG3 -0.03 0.04 0.07 -0.04 2.03 2.07 2yt1A4 PRO 82 HD2 -0.05 0.10 0.24 -0.04 3.68 3.93 2yt1A4 PRO 82 HD3 -0.05 0.18 0.11 -0.04 3.65 3.85 2yt1A4 VAL 83 H 0.01 0.36 0.30 -0.55 8.24 8.36 2yt1A4 VAL 83 HA 0.01 0.15 0.87 -0.75 4.13 4.40 2yt1A4 VAL 83 HB 0.05 -0.08 0.00 -0.04 2.12 2.05 2yt1A4 VAL 83 HG13 -0.01 0.02 -0.18 -0.04 0.97 0.76 2yt1A4 VAL 83 HG23 0.11 0.01 -0.16 -0.04 0.95 0.87 2yt1A4 ASP 84 H 0.03 0.10 0.14 -0.55 8.40 8.12 2yt1A4 ASP 84 HA 0.04 0.17 0.62 -0.75 4.63 4.71 2yt1A4 ASP 84 HB2 0.02 -0.02 0.01 -0.04 2.71 2.68 2yt1A4 ASP 84 HB3 0.02 0.02 0.08 -0.04 2.70 2.79 2yt1A4 ARG 85 H 0.05 0.02 0.01 -0.55 8.46 7.99 2yt1A4 ARG 85 HA 0.10 0.28 0.93 -0.75 4.34 4.89 2yt1A4 ARG 85 HB2 -0.02 0.06 0.09 -0.04 1.90 1.99 2yt1A4 ARG 85 HB3 -0.05 -0.03 0.09 -0.04 1.80 1.77 2yt1A4 ARG 85 HG2 0.01 0.11 -0.12 -0.04 1.67 1.63 2yt1A4 ARG 85 HG3 0.01 -0.13 -0.21 -0.04 1.67 1.31 2yt1A4 ARG 85 HD2 -0.01 -0.03 -0.04 -0.04 3.22 3.10 2yt1A4 ARG 85 HD3 -0.04 0.01 0.01 -0.04 3.22 3.16 2yt1A4 PRO 86 HA -0.35 0.09 0.32 -0.51 4.44 3.99 2yt1A4 PRO 86 HB2 -0.66 0.01 -0.05 -0.04 2.28 1.54 2yt1A4 PRO 86 HB3 -2.28 0.06 0.01 -0.04 2.02 -0.23 2yt1A4 PRO 86 HG2 -0.35 -0.01 -0.00 -0.04 2.03 1.63 2yt1A4 PRO 86 HG3 -0.58 0.07 0.03 -0.04 2.03 1.51 2yt1A4 PRO 86 HD2 -0.11 0.07 0.22 -0.04 3.68 3.81 2yt1A4 PRO 86 HD3 -0.02 0.24 0.14 -0.04 3.65 3.97 2yt1A4 VAL 87 H -0.17 0.11 -0.33 -0.55 8.24 7.29 2yt1A4 VAL 87 HA -0.15 0.19 0.63 -0.75 4.13 4.05 2yt1A4 VAL 87 HB -0.57 -0.10 0.06 -0.04 2.12 1.47 2yt1A4 VAL 87 HG13 -0.19 -0.01 -0.41 -0.04 0.97 0.32 2yt1A4 VAL 87 HG23 -0.22 0.00 -0.17 -0.04 0.95 0.52 2yt1A4 GLY 88 H -0.98 0.14 -0.01 -0.55 8.43 7.04 2yt1A4 GLY 88 HA2 -0.27 0.03 0.37 -0.51 4.01 3.63 2yt1A4 GLY 88 HA3 -0.15 0.20 0.84 -0.51 4.01 4.38 2yt1A4 MET 89 H -0.09 0.22 0.14 -0.55 8.47 8.19 2yt1A4 MET 89 HA 0.17 0.13 0.44 -0.75 4.52 4.50 2yt1A4 MET 89 HB2 0.01 -0.04 0.20 -0.04 2.15 2.28 2yt1A4 MET 89 HB3 0.05 0.04 -0.03 -0.04 2.03 2.04 2yt1A4 MET 89 HG2 0.18 -0.02 -0.03 -0.04 2.63 2.72 2yt1A4 MET 89 HG3 0.07 0.15 -0.11 -0.04 2.56 2.63 2yt1A4 MET 89 HE3 0.22 -0.06 -0.04 -0.04 2.10 2.17 2yt1A4 ASP 90 H -0.00 0.15 0.03 -0.55 8.40 8.03 2yt1A4 ASP 90 HA 0.01 0.06 0.31 -0.75 4.63 4.26 2yt1A4 ASP 90 HB2 0.00 0.05 0.04 -0.04 2.71 2.76 2yt1A4 ASP 90 HB3 -0.00 0.04 0.12 -0.04 2.70 2.81 2yt1A4 THR 91 H -0.00 0.02 -0.73 -0.55 8.28 7.02 2yt1A4 THR 91 HA 0.00 0.04 0.33 -0.75 4.39 4.01 2yt1A4 THR 91 HB 0.01 0.21 -0.15 -0.04 4.32 4.34 2yt1A4 THR 91 HG23 0.02 -0.04 -0.11 -0.04 1.22 1.05 2yt1A4 LEU 92 H 0.07 0.37 -0.22 -0.55 8.37 8.04 2yt1A4 LEU 92 HA 0.03 0.04 0.20 -0.75 4.35 3.86 2yt1A4 LEU 92 HB2 0.22 0.11 0.03 -0.04 1.64 1.96 2yt1A4 LEU 92 HB3 0.08 -0.03 0.03 -0.04 1.64 1.67 2yt1A4 LEU 92 HG -0.02 -0.07 -0.29 -0.04 1.64 1.22 2yt1A4 LEU 92 HD13 -0.02 -0.01 -0.29 -0.04 0.93 0.57 2yt1A4 LEU 92 HD23 0.02 0.04 -0.49 -0.04 0.89 0.43 2yt1A4 ASN 93 H 0.04 0.44 -0.14 -0.55 8.53 8.31 2yt1A4 ASN 93 HA 0.01 -0.07 0.32 -0.75 4.76 4.27 2yt1A4 ASN 93 HB2 0.02 -0.00 -0.05 -0.04 2.88 2.80 2yt1A4 ASN 93 HB3 0.03 -0.09 0.06 -0.04 2.79 2.75 2yt1A4 ASN 93 HD21 0.04 -0.02 -0.10 -0.04 7.03 6.91 2yt1A4 ASN 93 HD22 0.03 -0.19 -0.71 -0.04 7.74 6.83 2yt1A4 SER 94 H 0.01 0.50 -0.19 -0.55 8.46 8.23 2yt1A4 SER 94 HA 0.00 -0.06 0.30 -0.75 4.49 3.98 2yt1A4 SER 94 HB2 0.00 0.16 0.15 -0.04 3.95 4.22 2yt1A4 SER 94 HB3 -0.00 0.15 0.09 -0.04 3.93 4.12 2yt1A4 ALA 95 H -0.02 0.47 -0.58 -0.55 8.40 7.73 2yt1A4 ALA 95 HA -0.04 0.03 0.47 -0.75 4.34 4.04 2yt1A4 ALA 95 HB3 -0.07 0.05 -0.01 -0.04 1.41 1.34 2yt1A4 ILE 96 H -0.05 0.46 0.07 -0.55 8.25 8.19 2yt1A4 ILE 96 HA -0.11 -0.02 0.29 -0.75 4.18 3.59 2yt1A4 ILE 96 HB 0.00 -0.00 0.15 -0.04 1.89 2.00 2yt1A4 ILE 96 HG12 -0.08 -0.02 -0.08 -0.04 1.49 1.26 2yt1A4 ILE 96 HG13 -0.04 0.34 -0.07 -0.04 1.21 1.41 2yt1A4 ILE 96 HG23 0.01 -0.04 -0.09 -0.04 0.93 0.77 2yt1A4 ILE 96 HD13 -0.01 -0.04 -0.16 -0.04 0.88 0.62 2yt1A4 GLU 97 H 0.00 0.48 -0.24 -0.55 8.60 8.30 2yt1A4 GLU 97 HA 0.05 -0.03 0.37 -0.75 4.29 3.92 2yt1A4 GLU 97 HB2 0.01 0.15 0.04 -0.04 2.09 2.25 2yt1A4 GLU 97 HB3 0.02 0.01 -0.06 -0.04 1.99 1.92 2yt1A4 GLU 97 HG2 0.05 -0.02 -0.01 -0.04 2.34 2.31 2yt1A4 GLU 97 HG3 0.03 -0.06 -0.03 -0.04 2.34 2.25 2yt1A4 ASN 98 H -0.01 0.40 -0.12 -0.55 8.53 8.25 2yt1A4 ASN 98 HA -0.01 -0.04 0.33 -0.75 4.76 4.29 2yt1A4 ASN 98 HB2 -0.03 0.14 0.26 -0.04 2.88 3.21 2yt1A4 ASN 98 HB3 -0.05 0.05 0.06 -0.04 2.79 2.81 2yt1A4 ASN 98 HD21 -0.02 0.04 0.02 -0.04 7.03 7.02 2yt1A4 ASN 98 HD22 -0.02 -0.04 0.02 -0.04 7.74 7.66 2yt1A4 LEU 99 H -0.06 0.42 -0.55 -0.55 8.37 7.64 2yt1A4 LEU 99 HA -0.06 0.06 0.59 -0.75 4.35 4.20 2yt1A4 LEU 99 HB2 -0.19 0.09 0.04 -0.04 1.64 1.54 2yt1A4 LEU 99 HB3 -0.24 0.02 -0.13 -0.04 1.64 1.25 2yt1A4 LEU 99 HG -0.13 0.07 -0.17 -0.04 1.64 1.37 2yt1A4 LEU 99 HD13 -0.27 -0.04 -0.32 -0.04 0.93 0.26 2yt1A4 LEU 99 HD23 -0.15 -0.01 -0.27 -0.04 0.89 0.42 2yt1A4 MET 100 H 0.00 0.51 0.16 -0.55 8.47 8.59 2yt1A4 MET 100 HA 0.39 -0.02 0.34 -0.75 4.52 4.47 2yt1A4 MET 100 HB2 0.09 0.06 0.23 -0.04 2.15 2.49 2yt1A4 MET 100 HB3 0.17 -0.06 -0.01 -0.04 2.03 2.09 2yt1A4 MET 100 HG2 0.29 -0.03 0.01 -0.04 2.63 2.85 2yt1A4 MET 100 HG3 0.09 0.15 -0.13 -0.04 2.56 2.62 2yt1A4 MET 100 HE3 0.51 -0.02 -0.04 -0.04 2.10 2.51 2yt1A4 THR 101 H 0.06 0.47 -0.43 -0.55 8.28 7.83 2yt1A4 THR 101 HA 0.05 0.03 0.50 -0.75 4.39 4.20 2yt1A4 THR 101 HB 0.03 -0.08 -0.02 -0.04 4.32 4.20 2yt1A4 THR 101 HG23 0.01 0.05 -0.12 -0.04 1.22 1.12 2yt1A4 SER 102 H 0.04 0.18 -0.18 -0.55 8.46 7.95 2yt1A4 SER 102 HA 0.02 -0.06 0.43 -0.75 4.49 4.12 2yt1A4 SER 102 HB2 -0.01 0.07 0.24 -0.04 3.95 4.21 2yt1A4 SER 102 HB3 0.00 0.07 0.30 -0.04 3.93 4.26 2yt1A4 SER 103 H 0.16 0.60 -0.04 -0.55 8.46 8.64 2yt1A4 SER 103 HA 0.07 0.11 0.88 -0.75 4.49 4.79 2yt1A4 SER 103 HB2 0.29 -0.04 -0.06 -0.04 3.95 4.11 2yt1A4 SER 103 HB3 0.12 -0.00 -0.04 -0.04 3.93 3.96 2yt1A4 SER 104 H -0.07 0.06 0.13 -0.55 8.46 8.03 2yt1A4 SER 104 HA -0.25 0.28 0.61 -0.75 4.49 4.37 2yt1A4 SER 104 HB2 -0.23 -0.09 0.11 -0.04 3.95 3.71 2yt1A4 SER 104 HB3 -0.31 -0.10 0.15 -0.04 3.93 3.63 2yt1A4 LYS 105 H -0.74 0.18 0.17 -0.55 8.42 7.47 2yt1A4 LYS 105 HA -3.54 0.12 0.34 -0.75 4.32 0.48 2yt1A4 LYS 105 HB2 -0.97 0.05 0.13 -0.04 1.87 1.03 2yt1A4 LYS 105 HB3 -0.66 -0.05 0.11 -0.04 1.79 1.15 2yt1A4 LYS 105 HG2 -0.60 0.02 -0.18 -0.04 1.46 0.66 2yt1A4 LYS 105 HG3 -1.09 -0.00 0.01 -0.04 1.46 0.34 2yt1A4 LYS 105 HD2 -0.88 0.00 -0.01 -0.04 1.69 0.77 2yt1A4 LYS 105 HD3 -0.49 0.01 -0.03 -0.04 1.68 1.13 2yt1A4 LYS 105 HE2 -1.45 -0.01 -0.06 -0.04 2.99 1.43 2yt1A4 LYS 105 HE3 -0.90 -0.02 -0.04 -0.04 2.99 1.99 2yt1A4 GLU 106 H -0.52 0.04 -0.15 -0.55 8.60 7.43 2yt1A4 GLU 106 HA -0.24 0.14 0.45 -0.75 4.29 3.89 2yt1A4 GLU 106 HB2 -0.14 0.05 0.02 -0.04 2.09 1.98 2yt1A4 GLU 106 HB3 -0.21 -0.02 0.06 -0.04 1.99 1.78 2yt1A4 GLU 106 HG2 -0.24 -0.11 0.02 -0.04 2.34 1.96 2yt1A4 GLU 106 HG3 -0.16 0.09 -0.21 -0.04 2.34 2.02 2yt1A4 ASP 107 H -0.38 -0.06 -0.44 -0.55 8.40 6.97 2yt1A4 ASP 107 HA -0.05 0.02 0.32 -0.75 4.63 4.17 2yt1A4 ASP 107 HB2 -0.16 0.02 0.15 -0.04 2.71 2.68 2yt1A4 ASP 107 HB3 0.05 0.07 0.03 -0.04 2.70 2.81 2yt1A4 TRP 108 H -0.29 0.17 -0.77 -0.55 7.97 6.52 2yt1A4 TRP 108 HA -0.04 0.19 0.47 -0.75 4.62 4.49 2yt1A4 TRP 108 HB2 -0.02 0.05 0.02 -0.04 3.23 3.24 2yt1A4 TRP 108 HB3 0.02 -0.12 -0.29 -0.04 3.23 2.79 2yt1A4 TRP 108 HD1 -0.09 -0.03 -0.30 -0.04 7.22 6.76 2yt1A4 TRP 108 HE1 -0.09 0.15 -0.44 -0.04 10.20 9.79 2yt1A4 TRP 108 HE3 -0.08 -0.04 -0.06 -0.04 7.59 7.36 2yt1A4 TRP 108 HZ2 -0.08 0.15 -0.08 -0.04 7.44 7.40 2yt1A4 TRP 108 HZ3 -0.55 -0.07 -0.06 -0.04 7.13 6.40 2yt1A4 TRP 108 HH2 -0.15 -0.06 -0.06 -0.04 7.19 6.88 2yt1A4 PRO 109 HA 0.12 0.03 0.46 -0.51 4.44 4.55 2yt1A4 PRO 109 HB2 0.15 -0.03 -0.01 -0.04 2.28 2.35 2yt1A4 PRO 109 HB3 0.11 0.03 0.12 -0.04 2.02 2.24 2yt1A4 PRO 109 HG2 0.24 -0.07 0.17 -0.04 2.03 2.32 2yt1A4 PRO 109 HG3 0.13 0.02 0.11 -0.04 2.03 2.26 2yt1A4 PRO 109 HD2 0.14 0.39 0.32 -0.04 3.68 4.50 2yt1A4 PRO 109 HD3 0.13 0.31 0.34 -0.04 3.65 4.39 2yt1A4 SER 110 H 0.12 0.13 0.23 -0.55 8.46 8.40 2yt1A4 SER 110 HA 0.19 0.05 0.50 -0.75 4.49 4.48 2yt1A4 SER 110 HB2 0.09 -0.08 0.22 -0.04 3.95 4.14 2yt1A4 SER 110 HB3 0.11 0.04 0.05 -0.04 3.93 4.09 2yt1A4 VAL 111 H 0.20 0.50 0.51 -0.55 8.24 8.91 2yt1A4 VAL 111 HA 0.10 0.04 0.92 -0.75 4.13 4.43 2yt1A4 VAL 111 HB 0.08 -0.03 -0.10 -0.04 2.12 2.03 2yt1A4 VAL 111 HG13 0.18 0.06 -0.18 -0.04 0.97 0.99 2yt1A4 VAL 111 HG23 0.28 -0.03 -0.36 -0.04 0.95 0.79 2yt1A4 ASN 112 H 0.04 0.55 0.17 -0.55 8.53 8.74 2yt1A4 ASN 112 HA 0.07 0.22 1.06 -0.75 4.76 5.36 2yt1A4 ASN 112 HB2 0.02 0.18 0.01 -0.04 2.88 3.05 2yt1A4 ASN 112 HB3 0.02 -0.07 -0.05 -0.04 2.79 2.64 2yt1A4 ASN 112 HD21 0.02 0.14 -0.13 -0.04 7.03 7.02 2yt1A4 ASN 112 HD22 0.03 -0.06 -0.09 -0.04 7.74 7.59 2yt1A4 MET 113 H 0.08 0.47 0.16 -0.55 8.47 8.64 2yt1A4 MET 113 HA -0.06 0.14 0.72 -0.75 4.52 4.56 2yt1A4 MET 113 HB2 -0.01 0.02 -0.10 -0.04 2.15 2.02 2yt1A4 MET 113 HB3 0.23 -0.10 0.14 -0.04 2.03 2.25 2yt1A4 MET 113 HG2 0.08 -0.01 -0.25 -0.04 2.63 2.41 2yt1A4 MET 113 HG3 -0.06 0.02 -0.19 -0.04 2.56 2.30 2yt1A4 MET 113 HE3 -0.05 0.01 -0.21 -0.04 2.10 1.81 2yt1A4 ASN 114 H -0.02 0.67 0.28 -0.55 8.53 8.91 2yt1A4 ASN 114 HA -0.01 0.20 0.81 -0.75 4.76 5.02 2yt1A4 ASN 114 HB2 -0.02 0.01 0.16 -0.04 2.88 2.99 2yt1A4 ASN 114 HB3 -0.02 -0.04 0.33 -0.04 2.79 3.02 2yt1A4 ASN 114 HD21 -0.02 -0.00 0.01 -0.04 7.03 6.98 2yt1A4 ASN 114 HD22 -0.02 -0.01 -0.07 -0.04 7.74 7.60 2yt1A4 VAL 115 H 0.04 0.82 0.30 -0.55 8.24 8.84 2yt1A4 VAL 115 HA -0.00 0.33 0.85 -0.75 4.13 4.56 2yt1A4 VAL 115 HB 0.11 -0.05 0.21 -0.04 2.12 2.36 2yt1A4 VAL 115 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.76 2yt1A4 VAL 115 HG23 0.09 0.01 -0.19 -0.04 0.95 0.82 2yt1A4 ALA 116 H -0.01 0.68 0.28 -0.55 8.40 8.80 2yt1A4 ALA 116 HA -0.01 0.10 0.90 -0.75 4.34 4.58 2yt1A4 ALA 116 HB3 -0.02 0.03 0.00 -0.04 1.41 1.39 2yt1A4 ASP 117 H -0.01 0.19 0.12 -0.55 8.40 8.16 2yt1A4 ASP 117 HA -0.00 0.02 0.32 -0.75 4.63 4.22 2yt1A4 ASP 117 HB2 -0.01 0.00 -0.12 -0.04 2.71 2.55 2yt1A4 ASP 117 HB3 -0.01 0.13 0.09 -0.04 2.70 2.87 2yt1A4 ALA 118 H -0.00 0.01 -0.32 -0.55 8.40 7.54 2yt1A4 ALA 118 HA -0.01 -0.01 0.19 -0.75 4.34 3.76 2yt1A4 ALA 118 HB3 -0.00 0.03 -0.01 -0.04 1.41 1.39 2yt1A4 THR 119 H -0.02 0.09 -0.30 -0.55 8.28 7.51 2yt1A4 THR 119 HA -0.04 -0.18 0.98 -0.75 4.39 4.40 2yt1A4 THR 119 HB -0.03 0.09 0.14 -0.04 4.32 4.48 2yt1A4 THR 119 HG23 -0.05 -0.01 -0.08 -0.04 1.22 1.04 2yt1A4 VAL 120 H -0.10 0.11 0.05 -0.55 8.24 7.75 2yt1A4 VAL 120 HA -0.06 0.10 0.63 -0.75 4.13 4.04 2yt1A4 VAL 120 HB -0.26 -0.04 0.01 -0.04 2.12 1.79 2yt1A4 VAL 120 HG13 -0.12 -0.00 -0.29 -0.04 0.97 0.51 2yt1A4 VAL 120 HG23 -0.17 -0.02 -0.16 -0.04 0.95 0.56 2yt1A4 THR 121 H -0.05 0.57 0.25 -0.55 8.28 8.51 2yt1A4 THR 121 HA -0.06 0.22 1.12 -0.75 4.39 4.91 2yt1A4 THR 121 HB -0.04 -0.04 0.22 -0.04 4.32 4.42 2yt1A4 THR 121 HG23 -0.04 -0.02 -0.07 -0.04 1.22 1.05 2yt1A4 VAL 122 H -0.09 0.57 0.17 -0.55 8.24 8.34 2yt1A4 VAL 122 HA -0.11 0.28 0.73 -0.75 4.13 4.27 2yt1A4 VAL 122 HB -0.17 -0.06 0.15 -0.04 2.12 2.00 2yt1A4 VAL 122 HG13 -0.06 -0.01 -0.20 -0.04 0.97 0.66 2yt1A4 VAL 122 HG23 -0.37 -0.01 -0.16 -0.04 0.95 0.36 2yt1A4 ILE 123 H -0.03 0.50 0.39 -0.55 8.25 8.55 2yt1A4 ILE 123 HA -0.02 -0.14 0.78 -0.75 4.18 4.05 2yt1A4 ILE 123 HB -0.01 0.04 0.08 -0.04 1.89 1.97 2yt1A4 ILE 123 HG12 -0.03 0.13 -0.02 -0.04 1.49 1.53 2yt1A4 ILE 123 HG13 -0.02 0.01 0.04 -0.04 1.21 1.21 2yt1A4 ILE 123 HG23 -0.00 0.02 0.10 -0.04 0.93 1.01 2yt1A4 ILE 123 HD13 -0.02 0.01 -0.04 -0.04 0.88 0.78 2yt1A4 SER 124 H 0.01 -0.05 0.17 -0.55 8.46 8.04 2yt1A4 SER 124 HA 0.05 0.07 0.41 -0.75 4.49 4.27 2yt1A4 SER 124 HB2 0.05 0.03 0.12 -0.04 3.95 4.10 2yt1A4 SER 124 HB3 0.03 0.07 0.15 -0.04 3.93 4.13 2yt1A4 GLU 125 H 0.06 0.26 0.22 -0.55 8.60 8.60 2yt1A4 GLU 125 HA 0.04 0.08 0.28 -0.75 4.29 3.94 2yt1A4 GLU 125 HB2 0.07 0.26 0.11 -0.04 2.09 2.48 2yt1A4 GLU 125 HB3 0.05 -0.16 0.15 -0.04 1.99 1.99 2yt1A4 GLU 125 HG2 0.04 -0.03 -0.17 -0.04 2.34 2.13 2yt1A4 GLU 125 HG3 0.04 0.02 -0.03 -0.04 2.34 2.33 2yt1A4 LYS 126 H 0.03 -0.01 -0.10 -0.55 8.42 7.79 2yt1A4 LYS 126 HA 0.02 0.18 0.61 -0.75 4.32 4.37 2yt1A4 LYS 126 HB2 0.02 -0.13 0.15 -0.04 1.87 1.87 2yt1A4 LYS 126 HB3 0.02 0.02 -0.01 -0.04 1.79 1.78 2yt1A4 LYS 126 HG2 0.03 -0.03 -0.07 -0.04 1.46 1.34 2yt1A4 LYS 126 HG3 0.02 0.01 0.02 -0.04 1.46 1.47 2yt1A4 LYS 126 HD2 0.02 0.00 -0.02 -0.04 1.69 1.65 2yt1A4 LYS 126 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 2yt1A4 LYS 126 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.93 2yt1A4 LYS 126 HE3 0.02 0.09 -0.09 -0.04 2.99 2.97 2yt1A4 ASN 127 H 0.02 0.02 -0.01 -0.55 8.53 8.02 2yt1A4 ASN 127 HA 0.01 0.00 0.35 -0.75 4.76 4.38 2yt1A4 ASN 127 HB2 0.02 -0.05 0.07 -0.04 2.88 2.88 2yt1A4 ASN 127 HB3 0.01 0.02 -0.04 -0.04 2.79 2.75 2yt1A4 ASN 127 HD21 0.03 0.00 0.03 -0.04 7.03 7.04 2yt1A4 ASN 127 HD22 0.03 0.05 0.03 -0.04 7.74 7.80 2yt1A4 GLU 128 H 0.01 0.11 0.22 -0.55 8.60 8.39 2yt1A4 GLU 128 HA 0.00 0.25 0.65 -0.75 4.29 4.44 2yt1A4 GLU 128 HB2 0.00 0.14 0.09 -0.04 2.09 2.28 2yt1A4 GLU 128 HB3 -0.00 -0.06 0.10 -0.04 1.99 1.99 2yt1A4 GLU 128 HG2 -0.01 -0.02 -0.11 -0.04 2.34 2.15 2yt1A4 GLU 128 HG3 -0.01 0.01 0.11 -0.04 2.34 2.41 2yt1A4 GLU 129 H 0.00 0.03 -0.07 -0.55 8.60 8.02 2yt1A4 GLU 129 HA -0.00 0.25 0.75 -0.75 4.29 4.53 2yt1A4 GLU 129 HB2 0.00 -0.03 0.09 -0.04 2.09 2.12 2yt1A4 GLU 129 HB3 -0.00 0.06 0.15 -0.04 1.99 2.16 2yt1A4 GLU 129 HG2 -0.00 -0.09 -0.19 -0.04 2.34 2.02 2yt1A4 GLU 129 HG3 -0.00 0.01 -0.01 -0.04 2.34 2.30 2yt1A4 GLU 130 H 0.00 0.16 -0.64 -0.55 8.60 7.57 2yt1A4 GLU 130 HA 0.01 0.23 0.69 -0.75 4.29 4.46 2yt1A4 GLU 130 HB2 0.02 -0.04 -0.03 -0.04 2.09 2.00 2yt1A4 GLU 130 HB3 0.01 -0.11 0.09 -0.04 1.99 1.95 2yt1A4 GLU 130 HG2 0.03 -0.01 0.01 -0.04 2.34 2.33 2yt1A4 GLU 130 HG3 0.01 -0.02 -0.25 -0.04 2.34 2.04 2yt1A4 VAL 131 H -0.01 0.04 -0.03 -0.55 8.24 7.69 2yt1A4 VAL 131 HA -0.03 0.06 0.13 -0.75 4.13 3.53 2yt1A4 VAL 131 HB -0.02 -0.01 -0.14 -0.04 2.12 1.91 2yt1A4 VAL 131 HG13 -0.01 0.01 -0.44 -0.04 0.97 0.48 2yt1A4 VAL 131 HG23 -0.04 0.00 -0.16 -0.04 0.95 0.72 2yt1A4 LEU 132 H -0.02 -0.04 -0.22 -0.55 8.37 7.54 2yt1A4 LEU 132 HA -0.00 0.05 0.26 -0.75 4.35 3.91 2yt1A4 LEU 132 HB2 -0.09 0.13 0.05 -0.04 1.64 1.69 2yt1A4 LEU 132 HB3 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2yt1A4 LEU 132 HG 0.02 -0.14 0.00 -0.04 1.64 1.48 2yt1A4 LEU 132 HD13 0.09 -0.01 -0.08 -0.04 0.93 0.89 2yt1A4 LEU 132 HD23 0.08 0.01 0.01 -0.04 0.89 0.95 2yt1A4 VAL 133 H -0.10 0.17 -0.51 -0.55 8.24 7.25 2yt1A4 VAL 133 HA -0.11 0.16 0.73 -0.75 4.13 4.16 2yt1A4 VAL 133 HB -0.25 -0.11 -0.02 -0.04 2.12 1.70 2yt1A4 VAL 133 HG13 -0.47 -0.01 -0.22 -0.04 0.97 0.23 2yt1A4 VAL 133 HG23 -0.43 -0.01 -0.30 -0.04 0.95 0.16 2yt1A4 GLU 134 H -0.06 0.22 0.06 -0.55 8.60 8.28 2yt1A4 GLU 134 HA -0.06 0.14 1.02 -0.75 4.29 4.63 2yt1A4 GLU 134 HB2 -0.05 0.05 -0.01 -0.04 2.09 2.04 2yt1A4 GLU 134 HB3 -0.06 -0.01 0.15 -0.04 1.99 2.03 2yt1A4 GLU 134 HG2 -0.08 -0.01 -0.15 -0.04 2.34 2.07 2yt1A4 GLU 134 HG3 -0.06 0.01 -0.01 -0.04 2.34 2.24 2yt1A4 CYS 135 H -0.06 0.66 0.27 -0.55 8.50 8.83 2yt1A4 CYS 135 HA -0.04 0.17 0.94 -0.75 4.58 4.90 2yt1A4 CYS 135 HB2 0.15 -0.02 -0.14 -0.04 2.97 2.92 2yt1A4 CYS 135 HB3 -0.10 0.08 0.04 -0.04 2.97 2.96 2yt1A4 ARG 136 H -0.06 0.22 0.14 -0.55 8.46 8.20 2yt1A4 ARG 136 HA -0.05 0.15 1.11 -0.75 4.34 4.80 2yt1A4 ARG 136 HB2 0.01 -0.04 0.17 -0.04 1.90 2.00 2yt1A4 ARG 136 HB3 0.05 0.07 0.10 -0.04 1.80 1.97 2yt1A4 ARG 136 HG2 -0.09 0.09 -0.15 -0.04 1.67 1.49 2yt1A4 ARG 136 HG3 -0.23 -0.00 -0.22 -0.04 1.67 1.17 2yt1A4 ARG 136 HD2 -0.28 -0.00 -0.01 -0.04 3.22 2.89 2yt1A4 ARG 136 HD3 -0.01 0.03 -0.01 -0.04 3.22 3.19 2yt1A4 VAL 137 H -0.03 0.35 0.20 -0.55 8.24 8.21 2yt1A4 VAL 137 HA -0.04 0.00 0.28 -0.75 4.13 3.62 2yt1A4 VAL 137 HB -0.00 0.18 0.14 -0.04 2.12 2.39 2yt1A4 VAL 137 HG13 0.01 0.01 -0.19 -0.04 0.97 0.76 2yt1A4 VAL 137 HG23 -0.04 -0.07 -0.22 -0.04 0.95 0.58 2yt1A4 ARG 138 H 0.03 0.16 -0.20 -0.55 8.46 7.90 2yt1A4 ARG 138 HA -0.04 0.04 0.30 -0.75 4.34 3.89 2yt1A4 ARG 138 HB2 0.04 -0.07 0.04 -0.04 1.90 1.87 2yt1A4 ARG 138 HB3 -0.29 0.04 -0.02 -0.04 1.80 1.48 2yt1A4 ARG 138 HG2 -0.09 0.02 0.04 -0.04 1.67 1.60 2yt1A4 ARG 138 HG3 -0.04 0.03 0.07 -0.04 1.67 1.69 2yt1A4 ARG 138 HD2 -0.22 -0.02 0.01 -0.04 3.22 2.95 2yt1A4 ARG 138 HD3 -0.41 0.02 0.01 -0.04 3.22 2.80 2yt1A4 PHE 139 H 0.32 0.19 -0.26 -0.55 8.34 8.04 2yt1A4 PHE 139 HA 0.02 0.06 0.50 -0.75 4.62 4.45 2yt1A4 PHE 139 HB2 0.03 0.02 0.25 -0.04 3.15 3.41 2yt1A4 PHE 139 HB3 0.11 -0.13 0.14 -0.04 3.06 3.15 2yt1A4 PHE 139 HD2 0.02 0.02 0.07 -0.04 7.28 7.35 2yt1A4 PHE 139 HE2 -0.02 -0.03 -0.03 -0.04 7.38 7.27 2yt1A4 PHE 139 HZ -0.01 -0.01 -0.01 -0.04 7.32 7.24 2yt1A4 LEU 140 H 0.16 0.33 -0.16 -0.55 8.37 8.15 2yt1A4 LEU 140 HA 0.13 -0.04 0.49 -0.75 4.35 4.18 2yt1A4 LEU 140 HB2 -0.04 -0.14 0.03 -0.04 1.64 1.44 2yt1A4 LEU 140 HB3 0.00 0.14 0.12 -0.04 1.64 1.86 2yt1A4 LEU 140 HG 0.00 0.13 -0.06 -0.04 1.64 1.67 2yt1A4 LEU 140 HD13 -0.23 -0.04 -0.15 -0.04 0.93 0.47 2yt1A4 LEU 140 HD23 -0.11 -0.03 -0.44 -0.04 0.89 0.27 2yt1A4 SER 141 H 0.05 0.34 0.41 -0.55 8.46 8.71 2yt1A4 SER 141 HA -0.22 0.15 0.84 -0.75 4.49 4.51 2yt1A4 SER 141 HB2 -0.49 -0.08 0.06 -0.04 3.95 3.40 2yt1A4 SER 141 HB3 -0.43 0.04 0.12 -0.04 3.93 3.62 2yt1A4 PHE 142 H 0.04 0.35 0.34 -0.55 8.34 8.51 2yt1A4 PHE 142 HA -0.16 0.13 0.82 -0.75 4.62 4.66 2yt1A4 PHE 142 HB2 -0.12 0.00 0.03 -0.04 3.15 3.02 2yt1A4 PHE 142 HB3 -0.11 0.17 0.12 -0.04 3.06 3.19 2yt1A4 PHE 142 HD2 -0.06 0.04 -0.24 -0.04 7.28 6.98 2yt1A4 PHE 142 HE2 0.00 -0.04 -0.14 -0.04 7.38 7.16 2yt1A4 PHE 142 HZ 0.01 0.04 -0.13 -0.04 7.32 7.20 2yt1A4 MET 143 H -0.96 0.50 0.30 -0.55 8.47 7.76 2yt1A4 MET 143 HA -0.46 0.04 0.87 -0.75 4.52 4.22 2yt1A4 MET 143 HB2 0.08 0.12 0.20 -0.04 2.15 2.51 2yt1A4 MET 143 HB3 -0.06 -0.01 -0.09 -0.04 2.03 1.83 2yt1A4 MET 143 HG2 -0.27 0.02 -0.08 -0.04 2.63 2.26 2yt1A4 MET 143 HG3 -0.18 0.01 -0.03 -0.04 2.56 2.32 2yt1A4 MET 143 HE3 0.08 0.00 -0.20 -0.04 2.10 1.94 2yt1A4 GLY 144 H -0.16 0.59 0.33 -0.55 8.43 8.65 2yt1A4 GLY 144 HA2 -0.03 0.05 0.48 -0.51 4.01 3.99 2yt1A4 GLY 144 HA3 -0.08 0.06 0.39 -0.51 4.01 3.86 2yt1A4 VAL 145 H 0.03 0.25 0.09 -0.55 8.24 8.07 2yt1A4 VAL 145 HA 0.07 0.17 1.04 -0.75 4.13 4.66 2yt1A4 VAL 145 HB -0.00 0.13 0.05 -0.04 2.12 2.26 2yt1A4 VAL 145 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 2yt1A4 VAL 145 HG23 -0.02 -0.03 -0.15 -0.04 0.95 0.72 2yt1A4 GLY 146 H 0.01 0.36 0.04 -0.55 8.43 8.29 2yt1A4 GLY 146 HA2 0.03 0.12 0.42 -0.51 4.01 4.06 2yt1A4 GLY 146 HA3 0.02 -0.03 0.29 -0.51 4.01 3.78 2yt1A4 LYS 147 H 0.04 0.12 0.09 -0.55 8.42 8.11 2yt1A4 LYS 147 HA 0.03 0.12 0.32 -0.75 4.32 4.03 2yt1A4 LYS 147 HB2 0.05 -0.04 0.07 -0.04 1.87 1.91 2yt1A4 LYS 147 HB3 0.04 0.03 0.03 -0.04 1.79 1.85 2yt1A4 LYS 147 HG2 0.03 0.05 0.05 -0.04 1.46 1.55 2yt1A4 LYS 147 HG3 0.03 -0.06 0.08 -0.04 1.46 1.47 2yt1A4 LYS 147 HD2 0.03 0.02 -0.01 -0.04 1.69 1.69 2yt1A4 LYS 147 HD3 0.05 -0.01 -0.00 -0.04 1.68 1.68 2yt1A4 LYS 147 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 2yt1A4 LYS 147 HE3 0.03 0.02 -0.00 -0.04 2.99 2.99 2yt1A4 ASP 148 H 0.04 0.02 -0.49 -0.55 8.40 7.43 2yt1A4 ASP 148 HA 0.06 0.19 0.95 -0.75 4.63 5.08 2yt1A4 ASP 148 HB2 0.07 -0.00 0.08 -0.04 2.71 2.82 2yt1A4 ASP 148 HB3 0.09 -0.07 0.03 -0.04 2.70 2.70 2yt1A4 VAL 149 H 0.01 0.22 0.06 -0.55 8.24 7.97 2yt1A4 VAL 149 HA -0.06 0.15 0.26 -0.75 4.13 3.72 2yt1A4 VAL 149 HB -0.16 -0.06 -0.04 -0.04 2.12 1.83 2yt1A4 VAL 149 HG13 -0.07 0.02 -0.00 -0.04 0.97 0.89 2yt1A4 VAL 149 HG23 -0.23 -0.05 -0.00 -0.04 0.95 0.63 2yt1A4 HIS 150 H -0.03 -0.01 -0.48 -0.55 8.41 7.35 2yt1A4 HIS 150 HA -0.36 -0.07 0.39 -0.75 4.63 3.84 2yt1A4 HIS 150 HB2 -0.82 -0.06 0.07 -0.04 3.26 2.41 2yt1A4 HIS 150 HB3 -1.43 0.11 0.09 -0.04 3.20 1.93 2yt1A4 HIS 150 HD2 -0.03 0.17 0.21 -0.04 6.97 7.28 2yt1A4 HIS 150 HE1 0.01 -0.03 0.02 -0.04 7.75 7.71 2yt1A4 THR 151 H -0.25 0.43 -0.13 -0.55 8.28 7.78 2yt1A4 THR 151 HA -0.14 0.11 0.67 -0.75 4.39 4.27 2yt1A4 THR 151 HB 0.01 -0.00 -0.02 -0.04 4.32 4.26 2yt1A4 THR 151 HG23 0.13 -0.01 -0.01 -0.04 1.22 1.30 2yt1A4 PHE 152 H 0.11 0.72 0.45 -0.55 8.34 9.07 2yt1A4 PHE 152 HA -0.03 0.17 1.10 -0.75 4.62 5.11 2yt1A4 PHE 152 HB2 -0.05 -0.00 0.01 -0.04 3.15 3.07 2yt1A4 PHE 152 HB3 0.03 0.02 0.14 -0.04 3.06 3.21 2yt1A4 PHE 152 HD2 0.03 0.04 -0.04 -0.04 7.28 7.28 2yt1A4 PHE 152 HE2 0.05 -0.02 -0.15 -0.04 7.38 7.23 2yt1A4 PHE 152 HZ 0.09 -0.02 -0.18 -0.04 7.32 7.16 2yt1A4 ALA 153 H -0.10 0.45 0.31 -0.55 8.40 8.52 2yt1A4 ALA 153 HA -0.51 0.42 1.08 -0.75 4.34 4.58 2yt1A4 ALA 153 HB3 -0.21 -0.04 -0.18 -0.04 1.41 0.94 2yt1A4 PHE 154 H -0.63 0.45 0.23 -0.55 8.34 7.83 2yt1A4 PHE 154 HA -0.20 0.03 0.87 -0.75 4.62 4.56 2yt1A4 PHE 154 HB2 -0.08 0.08 0.01 -0.04 3.15 3.12 2yt1A4 PHE 154 HB3 -0.20 0.02 -0.18 -0.04 3.06 2.66 2yt1A4 PHE 154 HD2 -0.20 0.04 -0.42 -0.04 7.28 6.65 2yt1A4 PHE 154 HE2 0.08 -0.01 -0.15 -0.04 7.38 7.25 2yt1A4 PHE 154 HZ 0.06 -0.00 -0.14 -0.04 7.32 7.20 2yt1A4 ILE 155 H 0.07 0.71 0.46 -0.55 8.25 8.93 2yt1A4 ILE 155 HA 0.08 0.33 1.05 -0.75 4.18 4.88 2yt1A4 ILE 155 HB 0.12 0.01 0.29 -0.04 1.89 2.26 2yt1A4 ILE 155 HG12 0.04 -0.01 -0.19 -0.04 1.49 1.29 2yt1A4 ILE 155 HG13 0.09 -0.13 -0.13 -0.04 1.21 1.00 2yt1A4 ILE 155 HG23 0.06 0.01 -0.10 -0.04 0.93 0.87 2yt1A4 ILE 155 HD13 0.15 -0.01 -0.28 -0.04 0.88 0.70 2yt1A4 MET 156 H 0.18 0.74 0.45 -0.55 8.47 9.30 2yt1A4 MET 156 HA 0.22 0.14 0.89 -0.75 4.52 5.01 2yt1A4 MET 156 HB2 0.26 -0.01 0.03 -0.04 2.15 2.39 2yt1A4 MET 156 HB3 0.32 -0.00 -0.19 -0.04 2.03 2.12 2yt1A4 MET 156 HG2 0.49 -0.02 -0.11 -0.04 2.63 2.94 2yt1A4 MET 156 HG3 0.28 0.11 0.05 -0.04 2.56 2.96 2yt1A4 MET 156 HE3 0.15 -0.01 -0.08 -0.04 2.10 2.12 2yt1A4 ASP 157 H 0.36 0.23 0.15 -0.55 8.40 8.59 2yt1A4 ASP 157 HA 0.33 0.37 1.19 -0.75 4.63 5.76 2yt1A4 ASP 157 HB2 0.45 0.05 0.05 -0.04 2.71 3.22 2yt1A4 ASP 157 HB3 0.46 0.05 0.19 -0.04 2.70 3.36 2yt1A4 THR 158 H 0.15 0.36 0.19 -0.55 8.28 8.43 2yt1A4 THR 158 HA 0.10 0.22 0.89 -0.75 4.39 4.85 2yt1A4 THR 158 HB 0.05 0.01 0.12 -0.04 4.32 4.47 2yt1A4 THR 158 HG23 0.10 0.01 -0.14 -0.04 1.22 1.15 2yt1A4 GLY 159 H 0.15 0.05 0.06 -0.55 8.43 8.15 2yt1A4 GLY 159 HA2 0.12 0.01 0.33 -0.51 4.01 3.97 2yt1A4 GLY 159 HA3 0.08 0.30 0.92 -0.51 4.01 4.80 2yt1A4 ASN 160 H 0.04 0.18 0.16 -0.55 8.53 8.37 2yt1A4 ASN 160 HA 0.01 0.05 0.33 -0.75 4.76 4.39 2yt1A4 ASN 160 HB2 0.00 -0.02 -0.20 -0.04 2.88 2.62 2yt1A4 ASN 160 HB3 -0.03 0.12 0.10 -0.04 2.79 2.93 2yt1A4 ASN 160 HD21 -0.04 0.04 0.18 -0.04 7.03 7.17 2yt1A4 ASN 160 HD22 -0.02 -0.01 0.04 -0.04 7.74 7.71 2yt1A4 GLN 161 H 0.03 -0.02 -0.31 -0.55 8.47 7.62 2yt1A4 GLN 161 HA 0.03 0.00 0.23 -0.75 4.36 3.87 2yt1A4 GLN 161 HB2 -0.05 0.15 -0.31 -0.04 2.15 1.89 2yt1A4 GLN 161 HB3 -0.09 0.02 0.23 -0.04 2.02 2.15 2yt1A4 GLN 161 HG2 0.04 0.01 -0.02 -0.04 2.40 2.39 2yt1A4 GLN 161 HG3 0.11 0.02 0.03 -0.04 2.39 2.51 2yt1A4 GLN 161 HE21 0.01 0.10 -0.21 -0.04 6.97 6.82 2yt1A4 GLN 161 HE22 0.03 -0.01 -0.05 -0.04 7.69 7.61 2yt1A4 ARG 162 H -0.13 0.17 -0.34 -0.55 8.46 7.62 2yt1A4 ARG 162 HA -0.55 0.21 0.84 -0.75 4.34 4.08 2yt1A4 ARG 162 HB2 -0.07 0.14 0.08 -0.04 1.90 2.01 2yt1A4 ARG 162 HB3 -0.10 -0.06 -0.05 -0.04 1.80 1.55 2yt1A4 ARG 162 HG2 -0.16 0.05 -0.06 -0.04 1.67 1.45 2yt1A4 ARG 162 HG3 -0.09 0.09 -0.08 -0.04 1.67 1.55 2yt1A4 ARG 162 HD2 -0.06 -0.04 -0.05 -0.04 3.22 3.04 2yt1A4 ARG 162 HD3 -0.06 -0.01 -0.03 -0.04 3.22 3.08 2yt1A4 PHE 163 H -0.30 0.27 0.14 -0.55 8.34 7.89 2yt1A4 PHE 163 HA 0.05 0.34 1.12 -0.75 4.62 5.38 2yt1A4 PHE 163 HB2 0.00 0.01 -0.09 -0.04 3.15 3.03 2yt1A4 PHE 163 HB3 0.02 0.03 -0.03 -0.04 3.06 3.05 2yt1A4 PHE 163 HD2 0.03 0.07 -0.33 -0.04 7.28 7.01 2yt1A4 PHE 163 HE2 0.03 -0.02 -0.11 -0.04 7.38 7.24 2yt1A4 PHE 163 HZ 0.01 -0.03 -0.06 -0.04 7.32 7.21 2yt1A4 GLU 164 H 0.15 0.61 0.31 -0.55 8.60 9.12 2yt1A4 GLU 164 HA -0.05 0.17 0.96 -0.75 4.29 4.61 2yt1A4 GLU 164 HB2 0.00 -0.01 0.00 -0.04 2.09 2.05 2yt1A4 GLU 164 HB3 -0.33 -0.01 -0.09 -0.04 1.99 1.52 2yt1A4 GLU 164 HG2 -0.00 0.02 -0.12 -0.04 2.34 2.20 2yt1A4 GLU 164 HG3 -0.06 0.03 -0.13 -0.04 2.34 2.14 2yt1A4 CYS 165 H -0.21 0.40 0.16 -0.55 8.50 8.30 2yt1A4 CYS 165 HA -0.20 0.37 1.06 -0.75 4.58 5.06 2yt1A4 CYS 165 HB2 -0.06 -0.00 -0.15 -0.04 2.97 2.71 2yt1A4 CYS 165 HB3 -0.13 0.09 0.13 -0.04 2.97 3.03 2yt1A4 HIS 166 H -0.55 0.44 0.21 -0.55 8.41 7.97 2yt1A4 HIS 166 HA -0.30 0.20 0.88 -0.75 4.63 4.66 2yt1A4 HIS 166 HB2 -0.82 -0.02 0.11 -0.04 3.26 2.49 2yt1A4 HIS 166 HB3 -0.26 0.06 -0.02 -0.04 3.20 2.94 2yt1A4 HIS 166 HD2 0.10 0.10 -0.14 -0.04 6.97 6.99 2yt1A4 HIS 166 HE1 0.08 0.02 -0.13 -0.04 7.75 7.68 2yt1A4 VAL 167 H -0.43 0.31 0.28 -0.55 8.24 7.85 2yt1A4 VAL 167 HA -0.35 0.21 0.91 -0.75 4.13 4.14 2yt1A4 VAL 167 HB -0.40 -0.03 -0.00 -0.04 2.12 1.65 2yt1A4 VAL 167 HG13 -0.16 -0.01 -0.11 -0.04 0.97 0.64 2yt1A4 VAL 167 HG23 -0.24 0.00 -0.20 -0.04 0.95 0.48 2yt1A4 PHE 168 H -0.05 0.36 0.26 -0.55 8.34 8.36 2yt1A4 PHE 168 HA 0.05 0.22 0.80 -0.75 4.62 4.93 2yt1A4 PHE 168 HB2 0.12 -0.02 -0.02 -0.04 3.15 3.20 2yt1A4 PHE 168 HB3 0.16 -0.01 0.01 -0.04 3.06 3.18 2yt1A4 PHE 168 HD2 -0.05 0.13 -0.25 -0.04 7.28 7.07 2yt1A4 PHE 168 HE2 -0.34 -0.03 -0.19 -0.04 7.38 6.78 2yt1A4 PHE 168 HZ -0.35 -0.04 -0.15 -0.04 7.32 6.75 2yt1A4 TRP 169 H 0.43 0.30 0.23 -0.55 7.97 8.38 2yt1A4 TRP 169 HA 0.18 0.14 0.84 -0.75 4.62 5.03 2yt1A4 TRP 169 HB2 0.28 0.01 0.01 -0.04 3.23 3.48 2yt1A4 TRP 169 HB3 0.32 -0.04 0.10 -0.04 3.23 3.57 2yt1A4 TRP 169 HD1 0.21 -0.05 -0.36 -0.04 7.22 6.98 2yt1A4 TRP 169 HE1 0.16 -0.01 -0.07 -0.04 10.20 10.23 2yt1A4 TRP 169 HE3 0.24 -0.01 -0.10 -0.04 7.59 7.68 2yt1A4 TRP 169 HZ2 -0.08 -0.01 -0.01 -0.04 7.44 7.30 2yt1A4 TRP 169 HZ3 0.19 -0.02 -0.04 -0.04 7.13 7.23 2yt1A4 TRP 169 HH2 0.02 -0.04 -0.02 -0.04 7.19 7.11 2yt1A4 CYS 170 H -0.33 0.50 0.27 -0.55 8.50 8.38 2yt1A4 CYS 170 HA 0.15 0.25 0.98 -0.75 4.58 5.20 2yt1A4 CYS 170 HB2 -0.11 0.03 -0.08 -0.04 2.97 2.76 2yt1A4 CYS 170 HB3 -0.04 -0.04 -0.11 -0.04 2.97 2.74 2yt1A4 GLU 171 H 0.11 0.32 0.12 -0.55 8.60 8.60 2yt1A4 GLU 171 HA 0.10 0.24 0.60 -0.75 4.29 4.48 2yt1A4 GLU 171 HB2 0.22 0.02 -0.02 -0.04 2.09 2.27 2yt1A4 GLU 171 HB3 0.18 -0.00 -0.02 -0.04 1.99 2.11 2yt1A4 GLU 171 HG2 0.43 0.12 0.04 -0.04 2.34 2.90 2yt1A4 GLU 171 HG3 0.58 -0.03 -0.43 -0.04 2.34 2.42 2yt1A4 PRO 172 HA 0.12 0.13 0.40 -0.51 4.44 4.58 2yt1A4 PRO 172 HB2 0.01 0.01 -0.01 -0.04 2.28 2.25 2yt1A4 PRO 172 HB3 0.06 0.08 0.12 -0.04 2.02 2.24 2yt1A4 PRO 172 HG2 -0.02 -0.12 0.16 -0.04 2.03 2.01 2yt1A4 PRO 172 HG3 0.02 0.08 0.12 -0.04 2.03 2.21 2yt1A4 PRO 172 HD2 0.02 0.10 0.37 -0.04 3.68 4.13 2yt1A4 PRO 172 HD3 0.05 0.14 0.25 -0.04 3.65 4.04 2yt1A4 ASN 173 H -0.07 0.19 0.04 -0.55 8.53 8.15 2yt1A4 ASN 173 HA -0.45 0.30 0.82 -0.75 4.76 4.68 2yt1A4 ASN 173 HB2 -0.23 -0.01 -0.06 -0.04 2.88 2.54 2yt1A4 ASN 173 HB3 -0.27 0.09 -0.10 -0.04 2.79 2.47 2yt1A4 ASN 173 HD21 -0.09 0.02 -0.09 -0.04 7.03 6.82 2yt1A4 ASN 173 HD22 -0.05 0.01 -0.06 -0.04 7.74 7.60 2yt1A4 ALA 174 H -0.25 0.25 -0.19 -0.55 8.40 7.65 2yt1A4 ALA 174 HA -0.18 0.08 0.49 -0.75 4.34 3.98 2yt1A4 ALA 174 HB3 -0.15 0.13 0.07 -0.04 1.41 1.42 2yt1A4 ALA 175 H -0.13 0.35 -0.86 -0.55 8.40 7.21 2yt1A4 ALA 175 HA -0.03 0.21 0.60 -0.75 4.34 4.36 2yt1A4 ALA 175 HB3 -0.03 0.04 -0.06 -0.04 1.41 1.32 2yt1A4 ASN 176 H -0.10 0.20 0.05 -0.55 8.53 8.13 2yt1A4 ASN 176 HA -0.09 0.16 0.48 -0.75 4.76 4.55 2yt1A4 ASN 176 HB2 -0.05 0.06 0.02 -0.04 2.88 2.87 2yt1A4 ASN 176 HB3 0.07 0.07 0.08 -0.04 2.79 2.97 2yt1A4 ASN 176 HD21 -0.01 0.05 -0.03 -0.04 7.03 7.00 2yt1A4 ASN 176 HD22 -0.00 0.01 -0.01 -0.04 7.74 7.70 2yt1A4 VAL 177 H -0.31 0.01 -0.38 -0.55 8.24 7.01 2yt1A4 VAL 177 HA -0.99 0.17 0.53 -0.75 4.13 3.09 2yt1A4 VAL 177 HB -0.46 0.01 -0.03 -0.04 2.12 1.59 2yt1A4 VAL 177 HG13 -0.39 0.02 -0.17 -0.04 0.97 0.39 2yt1A4 VAL 177 HG23 -0.34 0.02 -0.08 -0.04 0.95 0.52 2yt1A4 SER 178 H -0.39 0.21 -0.32 -0.55 8.46 7.42 2yt1A4 SER 178 HA -0.58 0.09 0.35 -0.75 4.49 3.60 2yt1A4 SER 178 HB2 -0.11 -0.01 -0.01 -0.04 3.95 3.79 2yt1A4 SER 178 HB3 -0.35 0.08 0.11 -0.04 3.93 3.73 2yt1A4 GLU 179 H -0.12 0.30 -0.38 -0.55 8.60 7.85 2yt1A4 GLU 179 HA -0.14 0.10 0.42 -0.75 4.29 3.91 2yt1A4 GLU 179 HB2 -0.25 -0.01 0.02 -0.04 2.09 1.81 2yt1A4 GLU 179 HB3 -0.23 0.10 0.11 -0.04 1.99 1.93 2yt1A4 GLU 179 HG2 -0.14 -0.08 0.09 -0.04 2.34 2.18 2yt1A4 GLU 179 HG3 -0.09 0.03 -0.27 -0.04 2.34 1.97 2yt1A4 ALA 180 H -0.21 0.18 -0.52 -0.55 8.40 7.30 2yt1A4 ALA 180 HA -0.02 0.06 0.41 -0.75 4.34 4.04 2yt1A4 ALA 180 HB3 -0.07 0.02 0.10 -0.04 1.41 1.42 2yt1A4 VAL 181 H -0.18 0.55 -0.17 -0.55 8.24 7.89 2yt1A4 VAL 181 HA -0.02 0.02 0.34 -0.75 4.13 3.71 2yt1A4 VAL 181 HB -0.07 0.02 0.01 -0.04 2.12 2.04 2yt1A4 VAL 181 HG13 -0.07 0.01 -0.05 -0.04 0.97 0.83 2yt1A4 VAL 181 HG23 0.01 -0.01 -0.13 -0.04 0.95 0.77 2yt1A4 GLN 182 H -0.02 0.40 -0.34 -0.55 8.47 7.96 2yt1A4 GLN 182 HA 0.27 0.04 0.36 -0.75 4.36 4.27 2yt1A4 GLN 182 HB2 0.18 0.00 0.07 -0.04 2.15 2.37 2yt1A4 GLN 182 HB3 -0.01 0.06 0.13 -0.04 2.02 2.16 2yt1A4 GLN 182 HG2 -0.14 0.00 -0.22 -0.04 2.40 2.00 2yt1A4 GLN 182 HG3 -0.15 -0.03 -0.01 -0.04 2.39 2.15 2yt1A4 GLN 182 HE21 -0.64 -0.02 -0.02 -0.04 6.97 6.25 2yt1A4 GLN 182 HE22 -1.09 0.00 -0.02 -0.04 7.69 6.54 2yt1A4 ALA 183 H -0.02 0.36 -0.45 -0.55 8.40 7.73 2yt1A4 ALA 183 HA -0.03 0.01 0.34 -0.75 4.34 3.91 2yt1A4 ALA 183 HB3 -0.03 0.01 0.07 -0.04 1.41 1.42 2yt1A4 ALA 184 H 0.01 0.30 -0.41 -0.55 8.40 7.75 2yt1A4 ALA 184 HA 0.01 0.00 0.36 -0.75 4.34 3.96 2yt1A4 ALA 184 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 2yt1A4 CYS 185 H 0.06 0.26 -0.49 -0.55 8.50 7.78 2yt1A4 CYS 185 HA 0.05 -0.00 0.14 -0.75 4.58 4.02 2yt1A4 CYS 185 HB2 0.24 0.30 0.10 -0.04 2.97 3.58 2yt1A4 CYS 185 HB3 0.20 -0.10 0.06 -0.04 2.97 3.09