============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 6 1.000 -18.805 -19.598 -12.347 -99.200 -91.000 TYR 22 0.840 -20.319 -15.031 -9.256 -99.200 -91.000 PHE 44 1.000 -3.194 -22.474 13.707 -99.200 -91.000 TRP 48 1.040 0.255 -26.728 12.426 -99.200 -91.000 TRP6 48 1.020 0.257 -25.244 10.564 -99.200 -91.000 TRP 54 1.040 -3.594 -36.191 8.371 -99.200 -91.000 TRP6 54 1.020 -5.165 -34.715 7.343 -99.200 -91.000 HIS 62 0.900 -3.104 -18.163 -5.293 -99.200 -91.000 PHE 70 1.000 8.394 -27.897 3.463 -99.200 -91.000 PHE 78 1.000 7.937 -21.895 19.689 -99.200 -91.000 HIS 79 0.900 -0.723 -20.976 19.102 -99.200 -91.000 HIS 81 0.900 7.878 -14.254 22.015 -99.200 -91.000 TYR 83 0.840 3.944 -12.802 15.077 -99.200 -91.000 PHE 84 1.000 1.410 -23.173 15.385 -99.200 -91.000 HIS 90 0.900 13.242 -32.786 8.686 -99.200 -91.000 HIS 95 0.900 8.413 -16.572 13.043 -99.200 -91.000 HIS 103 0.900 -14.940 -17.424 9.753 -99.200 -91.000 PHE 111 1.000 -6.013 -25.356 -9.841 -99.200 -91.000 PHE 121 1.000 -4.898 -23.463 8.557 -99.200 -91.000 PHE 122 1.000 -10.855 -18.949 3.787 -99.200 -91.000 PHE 133 1.000 -4.217 -26.699 -2.494 -99.200 -91.000 HIS 139 0.900 -0.151 -44.689 -11.237 -99.200 -91.000 PHE 150 1.000 -10.131 -32.764 3.473 -99.200 -91.000 HIS 151 0.900 -13.490 -37.816 2.534 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oviB1 VAL 4 HA 0.05 -0.10 0.17 -0.75 4.13 3.49 2oviB1 VAL 4 HB 0.04 0.01 0.01 -0.04 2.12 2.14 2oviB1 VAL 4 HG13 0.04 -0.02 -0.10 -0.04 0.97 0.85 2oviB1 VAL 4 HG23 0.01 0.00 0.02 -0.04 0.95 0.94 2oviB1 SER 5 H 0.12 0.07 0.04 -0.55 8.46 8.14 2oviB1 SER 5 HA 0.11 -0.03 0.42 -0.75 4.49 4.24 2oviB1 SER 5 HB2 0.05 0.05 0.00 -0.04 3.95 4.01 2oviB1 SER 5 HB3 0.07 0.26 -0.05 -0.04 3.93 4.16 2oviB1 LEU 6 H 0.01 0.16 0.11 -0.55 8.37 8.11 2oviB1 LEU 6 HA -0.85 0.11 0.28 -0.75 4.35 3.14 2oviB1 LEU 6 HB2 -0.38 0.05 0.09 -0.04 1.64 1.36 2oviB1 LEU 6 HB3 -0.14 -0.05 0.11 -0.04 1.64 1.52 2oviB1 LEU 6 HG -0.17 0.07 -0.25 -0.04 1.64 1.25 2oviB1 LEU 6 HD13 -0.54 -0.00 -0.03 -0.04 0.93 0.31 2oviB1 LEU 6 HD23 -0.12 -0.00 -0.18 -0.04 0.89 0.55 2oviB1 GLN 7 H -0.04 0.03 -0.16 -0.55 8.47 7.75 2oviB1 GLN 7 HA -0.04 0.24 0.37 -0.75 4.36 4.17 2oviB1 GLN 7 HB2 -0.03 -0.03 0.10 -0.04 2.15 2.14 2oviB1 GLN 7 HB3 -0.01 -0.07 0.06 -0.04 2.02 1.96 2oviB1 GLN 7 HG2 -0.01 -0.01 -0.10 -0.04 2.40 2.24 2oviB1 GLN 7 HG3 -0.03 0.21 0.06 -0.04 2.39 2.60 2oviB1 GLN 7 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.88 2oviB1 GLN 7 HE22 -0.01 0.01 -0.06 -0.04 7.69 7.59 2oviB1 GLU 8 H 0.03 -0.01 -0.16 -0.55 8.60 7.92 2oviB1 GLU 8 HA 0.03 0.01 0.41 -0.75 4.29 3.99 2oviB1 PHE 9 H 0.17 0.64 -0.25 -0.55 8.34 8.36 2oviB1 PHE 9 HA 0.04 0.03 0.32 -0.75 4.62 4.25 2oviB1 PHE 9 HB2 0.14 0.08 -0.05 -0.04 3.15 3.28 2oviB1 PHE 9 HB3 -0.09 0.09 0.06 -0.04 3.06 3.08 2oviB1 PHE 9 HD2 0.02 0.03 -0.06 -0.04 7.28 7.23 2oviB1 PHE 9 HE2 0.09 -0.05 -0.05 -0.04 7.38 7.33 2oviB1 PHE 9 HZ 0.09 -0.05 -0.05 -0.04 7.32 7.27 2oviB1 LEU 10 H 0.00 0.44 -0.17 -0.55 8.37 8.10 2oviB1 LEU 10 HA -0.28 -0.01 0.58 -0.75 4.35 3.89 2oviB1 LEU 10 HB2 -0.05 0.24 0.11 -0.04 1.64 1.90 2oviB1 LEU 10 HB3 -0.07 -0.11 0.08 -0.04 1.64 1.50 2oviB1 LEU 10 HG -0.02 0.05 -0.02 -0.04 1.64 1.61 2oviB1 LEU 10 HD13 -0.05 -0.03 -0.21 -0.04 0.93 0.60 2oviB1 LEU 10 HD23 -0.07 -0.05 -0.05 -0.04 0.89 0.68 2oviB1 LYS 11 H -0.03 0.51 -0.18 -0.55 8.42 8.17 2oviB1 LYS 11 HA -0.03 -0.01 0.54 -0.75 4.32 4.07 2oviB1 THR 12 H -0.11 0.32 -0.59 -0.55 8.28 7.36 2oviB1 THR 12 HA -0.04 0.14 0.70 -0.75 4.39 4.43 2oviB1 THR 12 HB -0.03 -0.07 0.11 -0.04 4.32 4.30 2oviB1 THR 12 HG23 0.02 0.04 -0.03 -0.04 1.22 1.20 2oviB1 GLU 13 H -0.10 0.45 -0.55 -0.55 8.60 7.86 2oviB1 GLU 13 HA -0.09 0.02 0.38 -0.75 4.29 3.84 2oviB1 GLU 13 HB2 -0.04 0.07 -0.14 -0.04 2.09 1.94 2oviB1 GLU 13 HB3 -0.02 -0.11 0.12 -0.04 1.99 1.93 2oviB1 GLU 13 HG2 -0.01 -0.09 0.02 -0.04 2.34 2.22 2oviB1 GLU 13 HG3 -0.03 0.01 0.10 -0.04 2.34 2.38 2oviB1 PRO 14 HA -0.12 0.13 0.33 -0.51 4.44 4.27 2oviB1 PRO 14 HB2 -0.06 -0.13 -0.05 -0.04 2.28 2.00 2oviB1 PRO 14 HB3 -0.68 0.10 0.03 -0.04 2.02 1.44 2oviB1 PRO 14 HG2 -0.13 -0.10 -0.02 -0.04 2.03 1.74 2oviB1 PRO 14 HG3 -0.48 0.05 -0.05 -0.04 2.03 1.50 2oviB1 PRO 14 HD2 -0.21 0.08 0.19 -0.04 3.68 3.70 2oviB1 PRO 14 HD3 -0.53 0.37 0.06 -0.04 3.65 3.51 2oviB1 ASP 15 H -0.03 0.06 -0.37 -0.55 8.40 7.52 2oviB1 ASP 15 HA 0.09 0.10 0.29 -0.75 4.63 4.36 2oviB1 ASP 15 HB2 0.05 0.10 -0.19 -0.04 2.71 2.63 2oviB1 ASP 15 HB3 0.12 -0.21 -0.12 -0.04 2.70 2.45 2oviB1 GLY 16 H 0.09 0.00 -0.54 -0.55 8.43 7.44 2oviB1 GLY 16 HA2 0.27 0.14 0.76 -0.51 4.01 4.67 2oviB1 GLY 16 HA3 0.16 -0.01 0.32 -0.51 4.01 3.97 2oviB1 THR 17 H 0.13 0.12 0.10 -0.55 8.28 8.08 2oviB1 THR 17 HA -0.18 0.19 0.64 -0.75 4.39 4.28 2oviB1 THR 17 HB 0.12 0.07 0.12 -0.04 4.32 4.59 2oviB1 THR 17 HG23 0.04 -0.12 -0.05 -0.04 1.22 1.05 2oviB1 LEU 18 H -0.08 0.23 0.08 -0.55 8.37 8.06 2oviB1 LEU 18 HA 0.03 0.14 0.47 -0.75 4.35 4.24 2oviB1 LEU 18 HB2 -0.01 -0.02 0.03 -0.04 1.64 1.59 2oviB1 LEU 18 HB3 0.02 0.03 -0.03 -0.04 1.64 1.62 2oviB1 LEU 18 HG -0.04 0.03 -0.05 -0.04 1.64 1.54 2oviB1 LEU 18 HD13 0.02 0.02 -0.12 -0.04 0.93 0.81 2oviB1 LEU 18 HD23 0.01 0.02 -0.13 -0.04 0.89 0.75 2oviB1 GLU 19 H -0.06 0.10 -0.17 -0.55 8.60 7.93 2oviB1 GLU 19 HA -0.00 0.06 0.36 -0.75 4.29 3.96 2oviB1 GLU 19 HB2 -0.08 -0.01 -0.00 -0.04 2.09 1.95 2oviB1 GLU 19 HB3 -0.04 0.07 -0.08 -0.04 1.99 1.90 2oviB1 GLU 19 HG2 -0.33 0.11 -0.05 -0.04 2.34 2.03 2oviB1 GLU 19 HG3 -0.11 -0.03 0.01 -0.04 2.34 2.17 2oviB1 VAL 20 H 0.05 0.13 -0.37 -0.55 8.24 7.49 2oviB1 VAL 20 HA 0.06 0.09 0.43 -0.75 4.13 3.96 2oviB1 VAL 20 HB 0.08 -0.01 0.05 -0.04 2.12 2.20 2oviB1 VAL 20 HG13 0.11 0.04 0.03 -0.04 0.97 1.10 2oviB1 VAL 20 HG23 0.08 0.02 -0.08 -0.04 0.95 0.93 2oviB1 VAL 21 H 0.11 0.25 -0.29 -0.55 8.24 7.75 2oviB1 VAL 21 HA 0.23 0.07 0.31 -0.75 4.13 3.99 2oviB1 VAL 21 HB 0.11 0.09 0.06 -0.04 2.12 2.34 2oviB1 VAL 21 HG13 0.22 0.01 -0.13 -0.04 0.97 1.02 2oviB1 VAL 21 HG23 0.24 0.04 -0.04 -0.04 0.95 1.16 2oviB1 ALA 22 H 0.08 0.37 -0.39 -0.55 8.40 7.91 2oviB1 ALA 22 HA 0.08 0.02 0.14 -0.75 4.34 3.82 2oviB1 ALA 22 HB3 0.05 0.04 -0.19 -0.04 1.41 1.27 2oviB1 GLU 23 H 0.06 0.37 -0.17 -0.55 8.60 8.31 2oviB1 GLU 23 HA 0.04 0.06 0.45 -0.75 4.29 4.09 2oviB1 GLU 23 HB2 0.03 -0.00 0.02 -0.04 2.09 2.09 2oviB1 GLU 23 HB3 0.03 -0.05 0.09 -0.04 1.99 2.03 2oviB1 GLU 23 HG2 0.05 0.25 0.30 -0.04 2.34 2.90 2oviB1 GLU 23 HG3 0.05 0.12 0.15 -0.04 2.34 2.61 2oviB1 GLN 24 H 0.07 0.53 -0.19 -0.55 8.47 8.34 2oviB1 GLN 24 HA -0.05 0.03 0.44 -0.75 4.36 4.03 2oviB1 GLN 24 HB2 0.08 0.06 0.08 -0.04 2.15 2.33 2oviB1 GLN 24 HB3 -0.17 -0.03 -0.01 -0.04 2.02 1.77 2oviB1 GLN 24 HG2 -0.03 -0.04 0.00 -0.04 2.40 2.30 2oviB1 GLN 24 HG3 0.04 0.13 0.02 -0.04 2.39 2.54 2oviB1 GLN 24 HE21 0.06 -0.01 -0.06 -0.04 6.97 6.92 2oviB1 GLN 24 HE22 0.01 -0.01 -0.04 -0.04 7.69 7.61 2oviB1 TYR 25 H 0.22 0.48 -0.27 -0.55 8.29 8.18 2oviB1 TYR 25 HA -0.04 0.15 0.79 -0.75 4.56 4.70 2oviB1 TYR 25 HB2 0.00 0.10 0.05 -0.04 3.06 3.17 2oviB1 TYR 25 HB3 -0.01 -0.09 0.09 -0.04 2.98 2.94 2oviB1 TYR 25 HD2 -0.04 0.07 -0.02 -0.04 7.15 7.13 2oviB1 TYR 25 HE2 -0.34 -0.09 -0.17 -0.04 6.85 6.21 2oviB1 ASN 26 H 0.03 0.32 -0.56 -0.55 8.53 7.77 2oviB1 ASN 26 HA 0.02 0.01 0.34 -0.75 4.76 4.38 2oviB1 ASN 26 HB2 -0.01 -0.01 -0.36 -0.04 2.88 2.46 2oviB1 ASN 26 HB3 0.02 0.03 0.17 -0.04 2.79 2.97 2oviB1 ASN 26 HD21 -0.01 -0.06 0.02 -0.04 7.03 6.94 2oviB1 ASN 26 HD22 -0.02 0.05 -0.01 -0.04 7.74 7.72 2oviB1 THR 27 H 0.06 0.59 -0.09 -0.55 8.28 8.30 2oviB1 THR 27 HA 0.02 0.12 0.62 -0.75 4.39 4.40 2oviB1 THR 27 HB 0.05 0.23 -0.27 -0.04 4.32 4.29 2oviB1 THR 27 HG23 0.04 0.03 -0.17 -0.04 1.22 1.08 2oviB1 THR 28 H -0.00 0.09 0.12 -0.55 8.28 7.94 2oviB1 THR 28 HA 0.03 0.23 0.76 -0.75 4.39 4.66 2oviB1 THR 28 HB 0.01 0.04 0.15 -0.04 4.32 4.48 2oviB1 THR 28 HG23 0.00 0.04 -0.02 -0.04 1.22 1.21 2oviB1 LEU 29 H 0.07 0.25 0.17 -0.55 8.37 8.31 2oviB1 LEU 29 HA 0.06 0.08 0.32 -0.75 4.35 4.05 2oviB1 LEU 29 HB2 0.10 -0.00 0.13 -0.04 1.64 1.82 2oviB1 LEU 29 HB3 0.30 0.17 0.24 -0.04 1.64 2.31 2oviB1 LEU 29 HG 0.38 0.03 -0.26 -0.04 1.64 1.75 2oviB1 LEU 29 HD13 0.05 -0.01 -0.15 -0.04 0.93 0.79 2oviB1 LEU 29 HD23 0.06 -0.01 -0.02 -0.04 0.89 0.87 2oviB1 LEU 30 H -0.09 0.46 0.03 -0.55 8.37 8.22 2oviB1 LEU 30 HA -0.63 0.06 0.24 -0.75 4.35 3.27 2oviB1 LEU 30 HB2 -1.38 -0.02 -0.01 -0.04 1.64 0.19 2oviB1 LEU 30 HB3 -0.42 -0.02 0.04 -0.04 1.64 1.21 2oviB1 LEU 30 HG -0.47 0.04 -0.26 -0.04 1.64 0.92 2oviB1 LEU 30 HD13 -0.91 -0.00 -0.13 -0.04 0.93 -0.15 2oviB1 LEU 30 HD23 -0.62 0.01 -0.13 -0.04 0.89 0.11 2oviB1 GLU 31 H -0.12 0.06 -0.37 -0.55 8.60 7.62 2oviB1 GLU 31 HA -0.13 0.06 0.28 -0.75 4.29 3.75 2oviB1 GLU 31 HB2 -0.07 -0.07 0.08 -0.04 2.09 1.99 2oviB1 GLU 31 HB3 -0.04 0.11 0.05 -0.04 1.99 2.07 2oviB1 GLU 31 HG2 -0.03 0.03 -0.02 -0.04 2.34 2.28 2oviB1 GLU 31 HG3 -0.05 0.03 -0.17 -0.04 2.34 2.10 2oviB1 VAL 32 H -0.04 0.37 -0.30 -0.55 8.24 7.73 2oviB1 VAL 32 HA -0.06 0.04 0.29 -0.75 4.13 3.64 2oviB1 VAL 32 HB 0.01 0.11 0.10 -0.04 2.12 2.30 2oviB1 VAL 32 HG13 0.01 -0.01 -0.17 -0.04 0.97 0.76 2oviB1 VAL 32 HG23 0.01 0.02 -0.18 -0.04 0.95 0.75 2oviB1 VAL 33 H -0.04 0.48 -0.19 -0.55 8.24 7.94 2oviB1 VAL 33 HA 0.01 0.02 0.23 -0.75 4.13 3.63 2oviB1 VAL 33 HB -0.06 0.03 0.06 -0.04 2.12 2.10 2oviB1 VAL 33 HG13 0.06 -0.01 -0.27 -0.04 0.97 0.71 2oviB1 VAL 33 HG23 0.18 0.01 -0.10 -0.04 0.95 0.99 2oviB1 ARG 34 H -0.11 0.56 -0.21 -0.55 8.46 8.15 2oviB1 ARG 34 HA -0.07 0.01 0.34 -0.75 4.34 3.87 2oviB1 ARG 34 HB2 -0.10 0.15 0.08 -0.04 1.90 1.99 2oviB1 ARG 34 HB3 -0.08 -0.03 0.00 -0.04 1.80 1.65 2oviB1 ARG 34 HG2 -0.13 -0.03 -0.03 -0.04 1.67 1.44 2oviB1 ARG 34 HG3 -0.21 0.02 -0.07 -0.04 1.67 1.37 2oviB1 ARG 34 HD2 -0.14 -0.02 -0.08 -0.04 3.22 2.93 2oviB1 ARG 34 HD3 -0.12 0.01 -0.04 -0.04 3.22 3.03 2oviB1 ASN 35 H -0.05 0.37 -0.59 -0.55 8.53 7.71 2oviB1 ASN 35 HA -0.04 0.17 0.75 -0.75 4.76 4.89 2oviB1 ASN 35 HB2 -0.07 0.10 0.01 -0.04 2.88 2.88 2oviB1 ASN 35 HB3 -0.05 -0.14 0.04 -0.04 2.79 2.59 2oviB1 ASN 35 HD21 -0.06 -0.11 -0.08 -0.04 7.03 6.74 2oviB1 ASN 35 HD22 -0.07 0.59 -0.00 -0.04 7.74 8.22 2oviB1 LEU 36 H -0.03 0.34 -0.49 -0.55 8.37 7.65 2oviB1 LEU 36 HA -0.03 0.07 0.45 -0.75 4.35 4.09 2oviB1 LEU 36 HB2 -0.01 0.20 0.11 -0.04 1.64 1.90 2oviB1 LEU 36 HB3 0.00 -0.07 -0.21 -0.04 1.64 1.33 2oviB1 LEU 36 HG 0.01 0.02 -0.01 -0.04 1.64 1.61 2oviB1 LEU 36 HD13 -0.02 -0.00 -0.03 -0.04 0.93 0.84 2oviB1 LEU 36 HD23 0.02 -0.04 -0.08 -0.04 0.89 0.75 2oviB1 PRO 37 HA -0.01 0.07 0.38 -0.51 4.44 4.36 2oviB1 PRO 37 HB2 -0.00 -0.01 0.06 -0.04 2.28 2.29 2oviB1 PRO 37 HB3 -0.01 -0.00 0.13 -0.04 2.02 2.09 2oviB1 PRO 37 HG2 -0.02 0.06 0.13 -0.04 2.03 2.16 2oviB1 PRO 37 HG3 -0.02 0.03 0.02 -0.04 2.03 2.02 2oviB1 PRO 37 HD2 -0.01 0.02 0.21 -0.04 3.68 3.85 2oviB1 PRO 37 HD3 -0.03 0.12 0.17 -0.04 3.65 3.87 2oviB1 SER 38 H 0.01 0.09 -0.30 -0.55 8.46 7.72 2oviB1 SER 38 HA 0.02 0.23 1.07 -0.75 4.49 5.06 2oviB1 SER 38 HB2 0.02 -0.01 -0.12 -0.04 3.95 3.81 2oviB1 SER 38 HB3 0.04 0.16 0.23 -0.04 3.93 4.33 2oviB1 SER 39 H 0.01 0.38 0.08 -0.55 8.46 8.38 2oviB1 SER 39 HA 0.05 0.22 0.81 -0.75 4.49 4.82 2oviB1 SER 39 HB2 0.03 -0.10 0.01 -0.04 3.95 3.84 2oviB1 SER 39 HB3 0.02 -0.05 -0.27 -0.04 3.93 3.59 2oviB1 THR 40 H 0.01 0.55 0.34 -0.55 8.28 8.63 2oviB1 THR 40 HA -0.01 0.19 0.93 -0.75 4.39 4.74 2oviB1 THR 40 HB -0.03 0.08 0.06 -0.04 4.32 4.40 2oviB1 THR 40 HG23 -0.01 0.02 -0.14 -0.04 1.22 1.05 2oviB1 VAL 41 H -0.01 0.25 0.15 -0.55 8.24 8.08 2oviB1 VAL 41 HA 0.01 0.22 1.01 -0.75 4.13 4.61 2oviB1 VAL 41 HB -0.03 0.01 0.08 -0.04 2.12 2.14 2oviB1 VAL 41 HG13 -0.03 -0.02 -0.18 -0.04 0.97 0.70 2oviB1 VAL 41 HG23 -0.06 -0.00 -0.19 -0.04 0.95 0.65 2oviB1 VAL 42 H 0.04 0.65 0.38 -0.55 8.24 8.77 2oviB1 VAL 42 HA 0.03 0.20 0.88 -0.75 4.13 4.48 2oviB1 VAL 42 HB 0.00 -0.02 0.10 -0.04 2.12 2.16 2oviB1 VAL 42 HG13 -0.02 0.01 -0.28 -0.04 0.97 0.64 2oviB1 VAL 42 HG23 -0.01 0.05 -0.10 -0.04 0.95 0.84 2oviB1 PRO 43 HA -0.09 0.25 0.63 -0.51 4.44 4.72 2oviB1 PRO 43 HB2 -0.02 -0.15 0.03 -0.04 2.28 2.10 2oviB1 PRO 43 HB3 -0.05 0.09 0.17 -0.04 2.02 2.19 2oviB1 PRO 43 HG2 -0.00 0.04 0.09 -0.04 2.03 2.11 2oviB1 PRO 43 HG3 0.00 0.10 0.12 -0.04 2.03 2.20 2oviB1 PRO 43 HD2 0.01 0.07 0.19 -0.04 3.68 3.91 2oviB1 PRO 43 HD3 0.02 0.20 0.25 -0.04 3.65 4.08 2oviB1 GLY 44 H -0.12 0.56 0.06 -0.55 8.43 8.38 2oviB1 GLY 44 HA2 0.11 0.00 0.09 -0.51 4.01 3.70 2oviB1 GLY 44 HA3 0.02 0.40 0.06 -0.51 4.01 3.98 2oviB1 ASP 45 H -0.01 0.11 -0.33 -0.55 8.40 7.62 2oviB1 ASP 45 HA 0.03 0.12 0.41 -0.75 4.63 4.44 2oviB1 ASP 45 HB2 -0.00 0.01 0.15 -0.04 2.71 2.82 2oviB1 ASP 45 HB3 -0.02 0.03 0.08 -0.04 2.70 2.75 2oviB1 LYS 46 H 0.06 0.43 -0.76 -0.55 8.42 7.60 2oviB1 LYS 46 HA 0.04 0.09 0.54 -0.75 4.32 4.22 2oviB1 LYS 46 HB2 0.03 0.41 0.00 -0.04 1.87 2.27 2oviB1 LYS 46 HB3 0.01 -0.08 -0.03 -0.04 1.79 1.64 2oviB1 LYS 46 HG2 0.00 0.02 0.00 -0.04 1.46 1.45 2oviB1 LYS 46 HG3 -0.00 0.00 0.01 -0.04 1.46 1.43 2oviB1 LYS 46 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 2oviB1 LYS 46 HD3 0.01 -0.05 -0.15 -0.04 1.68 1.45 2oviB1 LYS 46 HE2 0.00 -0.06 0.06 -0.04 2.99 2.95 2oviB1 LYS 46 HE3 0.00 0.05 0.02 -0.04 2.99 3.03 2oviB1 PHE 47 H 0.21 0.57 -0.34 -0.55 8.34 8.24 2oviB1 PHE 47 HA 0.20 0.01 0.25 -0.75 4.62 4.33 2oviB1 PHE 47 HB2 0.05 0.25 0.15 -0.04 3.15 3.57 2oviB1 PHE 47 HB3 -0.02 -0.06 0.06 -0.04 3.06 2.99 2oviB1 PHE 47 HD2 -0.05 0.02 -0.14 -0.04 7.28 7.07 2oviB1 PHE 47 HE2 -1.58 0.00 -0.12 -0.04 7.38 5.64 2oviB1 PHE 47 HZ -1.50 0.03 -0.12 -0.04 7.32 5.69 2oviB1 ASP 48 H 0.18 0.18 -0.21 -0.55 8.40 8.02 2oviB1 ASP 48 HA -0.03 0.04 0.42 -0.75 4.63 4.30 2oviB1 ASP 48 HB2 0.09 0.04 0.02 -0.04 2.71 2.82 2oviB1 ASP 48 HB3 0.11 0.04 -0.06 -0.04 2.70 2.75 2oviB1 THR 49 H 0.03 0.16 -0.19 -0.55 8.28 7.73 2oviB1 THR 49 HA 0.01 0.05 0.37 -0.75 4.39 4.07 2oviB1 THR 49 HB -0.00 0.09 0.07 -0.04 4.32 4.45 2oviB1 THR 49 HG23 0.00 0.01 -0.09 -0.04 1.22 1.10 2oviB1 VAL 50 H -0.04 0.51 -0.25 -0.55 8.24 7.92 2oviB1 VAL 50 HA -0.13 0.05 0.33 -0.75 4.13 3.63 2oviB1 VAL 50 HB -0.03 0.07 0.05 -0.04 2.12 2.17 2oviB1 VAL 50 HG13 -0.18 -0.01 -0.19 -0.04 0.97 0.54 2oviB1 VAL 50 HG23 -0.09 0.02 -0.10 -0.04 0.95 0.74 2oviB1 TRP 51 H -0.09 0.65 0.01 -0.55 7.97 7.99 2oviB1 TRP 51 HA -0.24 -0.00 0.23 -0.75 4.62 3.85 2oviB1 TRP 51 HB2 -0.99 0.05 0.08 -0.04 3.23 2.32 2oviB1 TRP 51 HB3 -0.37 0.00 0.09 -0.04 3.23 2.91 2oviB1 TRP 51 HD1 0.08 -0.02 -0.25 -0.04 7.22 6.99 2oviB1 TRP 51 HE1 0.15 0.59 0.07 -0.04 10.20 10.96 2oviB1 TRP 51 HE3 -0.89 -0.00 -0.09 -0.04 7.59 6.56 2oviB1 TRP 51 HZ2 0.06 0.07 -0.10 -0.04 7.44 7.43 2oviB1 TRP 51 HZ3 -0.60 -0.04 -0.13 -0.04 7.13 6.32 2oviB1 TRP 51 HH2 -0.03 -0.02 -0.13 -0.04 7.19 6.97 2oviB1 ASP 52 H 0.06 0.84 -0.08 -0.55 8.40 8.68 2oviB1 ASP 52 HA 0.09 -0.00 0.34 -0.75 4.63 4.30 2oviB1 ASP 52 HB2 0.04 0.11 0.07 -0.04 2.71 2.89 2oviB1 ASP 52 HB3 0.05 -0.03 -0.03 -0.04 2.70 2.64 2oviB1 THR 53 H -0.15 0.45 -0.29 -0.55 8.28 7.74 2oviB1 THR 53 HA -0.10 0.02 0.49 -0.75 4.39 4.04 2oviB1 THR 53 HB -0.29 0.09 0.18 -0.04 4.32 4.26 2oviB1 THR 53 HG23 0.07 -0.03 -0.10 -0.04 1.22 1.12 2oviB1 VAL 54 H -0.61 0.62 -0.09 -0.55 8.24 7.60 2oviB1 VAL 54 HA -2.15 -0.02 0.23 -0.75 4.13 1.43 2oviB1 VAL 54 HB -0.67 -0.07 -0.01 -0.04 2.12 1.32 2oviB1 VAL 54 HG13 -1.18 -0.01 -0.05 -0.04 0.97 -0.30 2oviB1 VAL 54 HG23 -0.72 0.12 0.02 -0.04 0.95 0.33 2oviB1 CYS 55 H -0.38 0.40 -0.33 -0.55 8.50 7.64 2oviB1 CYS 55 HA -0.18 -0.00 0.46 -0.75 4.58 4.10 2oviB1 CYS 55 HB2 -0.05 0.12 0.05 -0.04 2.97 3.05 2oviB1 CYS 55 HB3 0.01 -0.07 0.00 -0.04 2.97 2.88 2oviB1 GLU 56 H -0.22 0.42 -0.47 -0.55 8.60 7.79 2oviB1 GLU 56 HA 0.05 0.14 0.90 -0.75 4.29 4.63 2oviB1 GLU 56 HB2 0.11 0.12 0.09 -0.04 2.09 2.37 2oviB1 GLU 56 HB3 0.13 -0.11 0.12 -0.04 1.99 2.08 2oviB1 GLU 56 HG2 0.05 -0.04 -0.02 -0.04 2.34 2.29 2oviB1 GLU 56 HG3 0.01 0.13 -0.03 -0.04 2.34 2.40 2oviB1 TRP 57 H -0.01 0.33 -0.15 -0.55 7.97 7.59 2oviB1 TRP 57 HA -0.01 -0.03 0.47 -0.75 4.62 4.30 2oviB1 TRP 57 HB2 -0.03 0.19 0.04 -0.04 3.23 3.39 2oviB1 TRP 57 HB3 -0.02 -0.19 0.06 -0.04 3.23 3.05 2oviB1 TRP 57 HD1 -0.01 -0.01 -0.32 -0.04 7.22 6.84 2oviB1 TRP 57 HE1 -0.00 -0.00 -0.11 -0.04 10.20 10.04 2oviB1 TRP 57 HE3 -0.00 -0.02 -0.05 -0.04 7.59 7.48 2oviB1 TRP 57 HZ2 -0.01 0.07 -0.27 -0.04 7.44 7.20 2oviB1 TRP 57 HZ3 0.17 -0.03 -0.10 -0.04 7.13 7.14 2oviB1 TRP 57 HH2 0.05 0.00 -0.09 -0.04 7.19 7.11 2oviB1 GLY 58 H 0.15 -0.04 -0.00 -0.55 8.43 7.99 2oviB1 GLY 58 HA2 0.08 0.28 0.69 -0.51 4.01 4.56 2oviB1 GLY 58 HA3 0.06 -0.13 0.40 -0.51 4.01 3.83 2oviB1 ASN 59 H 0.03 0.05 0.10 -0.55 8.53 8.16 2oviB1 ASN 59 HA 0.01 0.08 0.12 -0.75 4.76 4.22 2oviB1 ASN 59 HB2 -0.01 -0.06 0.12 -0.04 2.88 2.88 2oviB1 ASN 59 HB3 -0.04 0.07 -0.05 -0.04 2.79 2.73 2oviB1 ASN 59 HD21 -0.03 0.03 0.02 -0.04 7.03 7.00 2oviB1 ASN 59 HD22 -0.03 -0.01 0.03 -0.04 7.74 7.69 2oviB1 VAL 60 H 0.02 0.62 0.29 -0.55 8.24 8.62 2oviB1 VAL 60 HA 0.07 0.07 0.82 -0.75 4.13 4.33 2oviB1 VAL 60 HB 0.09 0.06 0.04 -0.04 2.12 2.27 2oviB1 VAL 60 HG13 0.15 0.01 -0.24 -0.04 0.97 0.85 2oviB1 VAL 60 HG23 0.01 0.02 -0.08 -0.04 0.95 0.85 2oviB1 THR 61 H 0.12 0.72 0.24 -0.55 8.28 8.81 2oviB1 THR 61 HA 0.02 0.31 1.21 -0.75 4.39 5.17 2oviB1 THR 61 HB 0.13 -0.04 0.14 -0.04 4.32 4.50 2oviB1 THR 61 HG23 0.03 -0.01 -0.27 -0.04 1.22 0.93 2oviB1 THR 62 H 0.15 0.86 0.32 -0.55 8.28 9.07 2oviB1 THR 62 HA 0.17 0.22 1.05 -0.75 4.39 5.08 2oviB1 THR 62 HB 0.29 0.01 0.17 -0.04 4.32 4.75 2oviB1 THR 62 HG23 0.18 -0.01 -0.09 -0.04 1.22 1.26 2oviB1 LEU 63 H 0.20 0.73 0.45 -0.55 8.37 9.19 2oviB1 LEU 63 HA 0.14 0.22 0.92 -0.75 4.35 4.88 2oviB1 LEU 63 HB2 0.10 0.08 -0.08 -0.04 1.64 1.71 2oviB1 LEU 63 HB3 0.12 -0.07 -0.28 -0.04 1.64 1.36 2oviB1 LEU 63 HG 0.31 0.06 -0.09 -0.04 1.64 1.87 2oviB1 LEU 63 HD13 0.25 -0.03 -0.49 -0.04 0.93 0.61 2oviB1 LEU 63 HD23 0.05 -0.01 -0.23 -0.04 0.89 0.65 2oviB1 VAL 64 H 0.10 0.53 0.36 -0.55 8.24 8.69 2oviB1 VAL 64 HA 0.13 0.15 0.89 -0.75 4.13 4.54 2oviB1 VAL 64 HB 0.09 0.02 0.07 -0.04 2.12 2.26 2oviB1 VAL 64 HG13 0.09 0.04 0.01 -0.04 0.97 1.07 2oviB1 VAL 64 HG23 0.08 -0.00 0.09 -0.04 0.95 1.07 2oviB1 HIS 65 H 0.18 0.27 0.03 -0.55 8.41 8.34 2oviB1 HIS 65 HA 0.06 0.22 1.04 -0.75 4.63 5.19 2oviB1 HIS 65 HB2 0.08 -0.01 -0.09 -0.04 3.26 3.20 2oviB1 HIS 65 HB3 0.07 -0.05 0.15 -0.04 3.20 3.32 2oviB1 HIS 65 HD2 0.05 -0.01 -0.07 -0.04 6.97 6.89 2oviB1 HIS 65 HE1 0.04 0.02 -0.11 -0.04 7.75 7.66 2oviB1 THR 66 H 0.14 0.82 0.30 -0.55 8.28 8.99 2oviB1 THR 66 HA 0.13 0.23 0.94 -0.75 4.39 4.94 2oviB1 THR 66 HB 0.08 -0.06 0.21 -0.04 4.32 4.51 2oviB1 THR 66 HG23 0.08 0.04 -0.08 -0.04 1.22 1.22 2oviB1 ALA 67 H 0.08 0.15 0.17 -0.55 8.40 8.26 2oviB1 ALA 67 HA 0.11 0.10 0.42 -0.75 4.34 4.21 2oviB1 ALA 67 HB3 0.06 0.01 0.09 -0.04 1.41 1.53 2oviB1 ASP 68 H 0.07 -0.09 -0.25 -0.55 8.40 7.59 2oviB1 ASP 68 HA 0.04 0.30 0.99 -0.75 4.63 5.21 2oviB1 ASP 68 HB2 0.04 -0.03 -0.04 -0.04 2.71 2.63 2oviB1 ASP 68 HB3 0.03 0.04 0.03 -0.04 2.70 2.77 2oviB1 VAL 69 H 0.05 0.02 -0.03 -0.55 8.24 7.73 2oviB1 VAL 69 HA 0.00 0.25 0.79 -0.75 4.13 4.43 2oviB1 VAL 69 HB 0.03 -0.08 -0.05 -0.04 2.12 1.98 2oviB1 VAL 69 HG13 0.01 0.01 -0.16 -0.04 0.97 0.79 2oviB1 VAL 69 HG23 0.02 0.00 -0.24 -0.04 0.95 0.70 2oviB1 ILE 70 H -0.04 0.29 0.05 -0.55 8.25 8.00 2oviB1 ILE 70 HA -0.07 0.28 0.96 -0.75 4.18 4.59 2oviB1 ILE 70 HB -0.40 0.01 -0.02 -0.04 1.89 1.44 2oviB1 ILE 70 HG12 -0.15 0.02 -0.04 -0.04 1.49 1.27 2oviB1 ILE 70 HG13 -0.19 -0.02 -0.06 -0.04 1.21 0.89 2oviB1 ILE 70 HG23 -0.08 -0.00 0.09 -0.04 0.93 0.90 2oviB1 ILE 70 HD13 -0.04 0.01 -0.40 -0.04 0.88 0.41 2oviB1 LEU 71 H 0.03 0.49 0.20 -0.55 8.37 8.54 2oviB1 LEU 71 HA 0.03 0.15 0.91 -0.75 4.35 4.68 2oviB1 LEU 71 HB2 0.05 -0.04 0.12 -0.04 1.64 1.73 2oviB1 LEU 71 HB3 0.07 0.02 -0.01 -0.04 1.64 1.68 2oviB1 LEU 71 HG 0.03 -0.04 -0.03 -0.04 1.64 1.56 2oviB1 LEU 71 HD13 0.05 0.00 -0.02 -0.04 0.93 0.92 2oviB1 LEU 71 HD23 0.04 0.03 0.07 -0.04 0.89 0.99 2oviB1 GLU 72 H 0.05 0.20 0.19 -0.55 8.60 8.50 2oviB1 GLU 72 HA 0.11 0.35 1.25 -0.75 4.29 5.24 2oviB1 GLU 72 HB2 0.02 -0.00 -0.21 -0.04 2.09 1.86 2oviB1 GLU 72 HB3 0.04 0.01 -0.18 -0.04 1.99 1.81 2oviB1 GLU 72 HG2 0.00 -0.03 -0.23 -0.04 2.34 2.05 2oviB1 GLU 72 HG3 0.00 0.01 0.02 -0.04 2.34 2.33 2oviB1 PHE 73 H 0.19 0.89 0.36 -0.55 8.34 9.23 2oviB1 PHE 73 HA 0.03 0.17 1.08 -0.75 4.62 5.15 2oviB1 PHE 73 HB2 0.04 -0.01 -0.02 -0.04 3.15 3.12 2oviB1 PHE 73 HB3 0.06 -0.01 0.15 -0.04 3.06 3.21 2oviB1 PHE 73 HD2 0.04 -0.05 -0.10 -0.04 7.28 7.14 2oviB1 PHE 73 HE2 0.05 0.12 -0.16 -0.04 7.38 7.35 2oviB1 PHE 73 HZ 0.07 -0.00 -0.15 -0.04 7.32 7.20 2oviB1 SER 74 H -0.47 0.20 0.16 -0.55 8.46 7.80 2oviB1 SER 74 HA -0.24 0.35 1.07 -0.75 4.49 4.91 2oviB1 SER 74 HB2 -0.23 -0.02 0.17 -0.04 3.95 3.83 2oviB1 SER 74 HB3 -0.19 -0.01 0.00 -0.04 3.93 3.69 2oviB1 GLY 75 H -0.20 0.66 0.40 -0.55 8.43 8.74 2oviB1 GLY 75 HA2 -0.14 -0.05 0.33 -0.51 4.01 3.65 2oviB1 GLY 75 HA3 -0.29 0.19 0.58 -0.51 4.01 3.99 2oviB1 GLU 76 H 0.10 0.09 0.08 -0.55 8.60 8.32 2oviB1 GLU 76 HA 0.06 0.28 0.38 -0.75 4.29 4.27 2oviB1 GLU 76 HB2 0.11 -0.10 0.05 -0.04 2.09 2.11 2oviB1 GLU 76 HB3 0.08 0.20 -0.01 -0.04 1.99 2.22 2oviB1 GLU 76 HG2 0.05 0.08 -0.18 -0.04 2.34 2.25 2oviB1 GLU 76 HG3 0.02 -0.15 -0.03 -0.04 2.34 2.15 2oviB1 LEU 77 H -0.00 0.25 0.15 -0.55 8.37 8.22 2oviB1 LEU 77 HA 0.07 0.05 0.32 -0.75 4.35 4.04 2oviB1 LEU 77 HB2 -0.25 -0.00 0.00 -0.04 1.64 1.35 2oviB1 LEU 77 HB3 -0.29 -0.00 -0.04 -0.04 1.64 1.27 2oviB1 LEU 77 HG -0.31 0.20 -0.16 -0.04 1.64 1.33 2oviB1 LEU 77 HD13 -0.34 -0.03 -0.05 -0.04 0.93 0.47 2oviB1 LEU 77 HD23 -1.92 -0.02 -0.11 -0.04 0.89 -1.19 2oviB1 PRO 78 HA 0.14 0.10 0.65 -0.51 4.44 4.82 2oviB1 PRO 78 HB2 0.07 -0.03 0.07 -0.04 2.28 2.35 2oviB1 PRO 78 HB3 0.03 -0.28 0.23 -0.04 2.02 1.96 2oviB1 PRO 78 HG2 0.18 -0.00 0.01 -0.04 2.03 2.18 2oviB1 PRO 78 HG3 -0.08 0.10 0.02 -0.04 2.03 2.03 2oviB1 PRO 78 HD2 0.16 0.04 0.16 -0.04 3.68 4.00 2oviB1 PRO 78 HD3 0.11 0.33 0.15 -0.04 3.65 4.20 2oviB1 SER 79 H 0.14 0.07 0.17 -0.55 8.46 8.30 2oviB1 SER 79 HA 0.46 0.15 0.52 -0.75 4.49 4.86 2oviB1 SER 79 HB2 0.17 0.02 0.09 -0.04 3.95 4.20 2oviB1 SER 79 HB3 0.15 0.08 0.09 -0.04 3.93 4.21 2oviB1 GLY 80 H 0.12 0.28 0.18 -0.55 8.43 8.46 2oviB1 GLY 80 HA2 -0.35 0.20 0.85 -0.51 4.01 4.20 2oviB1 GLY 80 HA3 -1.45 -0.03 0.03 -0.51 4.01 2.05 2oviB1 PHE 81 H -0.94 0.59 0.26 -0.55 8.34 7.69 2oviB1 PHE 81 HA -0.06 0.12 0.89 -0.75 4.62 4.82 2oviB1 PHE 81 HB2 -0.05 0.04 0.04 -0.04 3.15 3.14 2oviB1 PHE 81 HB3 -0.09 0.04 -0.12 -0.04 3.06 2.85 2oviB1 PHE 81 HD2 -0.13 0.02 -0.19 -0.04 7.28 6.93 2oviB1 PHE 81 HE2 -0.10 0.02 -0.11 -0.04 7.38 7.15 2oviB1 PHE 81 HZ -0.04 0.01 -0.05 -0.04 7.32 7.19 2oviB1 HIS 82 H 0.26 0.15 0.16 -0.55 8.41 8.44 2oviB1 HIS 82 HA -0.03 0.26 0.81 -0.75 4.63 4.92 2oviB1 HIS 82 HB2 0.08 0.01 0.18 -0.04 3.26 3.49 2oviB1 HIS 82 HB3 0.01 -0.03 -0.00 -0.04 3.20 3.14 2oviB1 HIS 82 HD2 0.18 0.04 0.04 -0.04 6.97 7.18 2oviB1 HIS 82 HE1 -0.49 -0.03 -0.09 -0.04 7.75 7.10 2oviB1 ARG 83 H -0.03 0.72 0.42 -0.55 8.46 9.01 2oviB1 ARG 83 HA -0.07 0.01 0.41 -0.75 4.34 3.94 2oviB1 ARG 83 HB2 0.09 0.18 -0.14 -0.04 1.90 1.99 2oviB1 ARG 83 HB3 -0.21 0.01 -0.06 -0.04 1.80 1.50 2oviB1 ARG 83 HG2 -1.78 -0.00 -0.07 -0.04 1.67 -0.22 2oviB1 ARG 83 HG3 -0.32 -0.10 0.16 -0.04 1.67 1.36 2oviB1 ARG 83 HD2 -0.07 0.01 -0.02 -0.04 3.22 3.10 2oviB1 ARG 83 HD3 -0.10 -0.01 0.02 -0.04 3.22 3.08 2oviB1 HIS 84 H -0.11 0.19 0.15 -0.55 8.41 8.10 2oviB1 HIS 84 HA 0.05 0.06 0.34 -0.75 4.63 4.33 2oviB1 HIS 84 HB2 0.05 0.15 0.14 -0.04 3.26 3.56 2oviB1 HIS 84 HB3 0.03 0.02 0.17 -0.04 3.20 3.38 2oviB1 HIS 84 HD2 -0.02 0.05 -0.14 -0.04 6.97 6.82 2oviB1 HIS 84 HE1 0.03 0.02 -0.02 -0.04 7.75 7.75 2oviB1 GLY 85 H 0.07 0.01 -0.27 -0.55 8.43 7.69 2oviB1 GLY 85 HA2 -0.02 -0.02 0.25 -0.51 4.01 3.71 2oviB1 GLY 85 HA3 0.01 0.16 0.52 -0.51 4.01 4.18 2oviB1 TYR 86 H 0.16 0.30 -0.22 -0.55 8.29 7.98 2oviB1 TYR 86 HA -0.05 0.09 0.81 -0.75 4.56 4.65 2oviB1 TYR 86 HB2 -0.06 0.14 -0.09 -0.04 3.06 3.00 2oviB1 TYR 86 HB3 -0.06 -0.05 -0.18 -0.04 2.98 2.65 2oviB1 TYR 86 HD2 -0.01 0.01 -0.41 -0.04 7.15 6.70 2oviB1 TYR 86 HE2 -0.04 0.01 -0.05 -0.04 6.85 6.73 2oviB1 PHE 87 H 0.00 0.73 0.28 -0.55 8.34 8.80 2oviB1 PHE 87 HA -0.54 0.11 0.65 -0.75 4.62 4.09 2oviB1 PHE 87 HB2 -0.66 -0.11 0.05 -0.04 3.15 2.39 2oviB1 PHE 87 HB3 -0.51 0.01 0.23 -0.04 3.06 2.75 2oviB1 PHE 87 HD2 -1.17 -0.04 -0.20 -0.04 7.28 5.83 2oviB1 PHE 87 HE2 -1.25 0.10 -0.25 -0.04 7.38 5.94 2oviB1 PHE 87 HZ -0.44 0.01 -0.09 -0.04 7.32 6.76 2oviB1 ASN 88 H -0.85 0.70 0.16 -0.55 8.53 7.99 2oviB1 ASN 88 HA -0.44 0.13 0.82 -0.75 4.76 4.52 2oviB1 ASN 88 HB2 -1.75 0.01 0.19 -0.04 2.88 1.28 2oviB1 ASN 88 HB3 -0.46 0.07 0.05 -0.04 2.79 2.40 2oviB1 ASN 88 HD21 -0.16 0.22 0.09 -0.04 7.03 7.14 2oviB1 ASN 88 HD22 -0.82 0.17 0.08 -0.04 7.74 7.13 2oviB1 LEU 89 H -0.49 0.63 0.31 -0.55 8.37 8.28 2oviB1 LEU 89 HA -0.40 0.17 0.54 -0.75 4.35 3.90 2oviB1 LEU 89 HB2 -0.24 -0.15 0.06 -0.04 1.64 1.27 2oviB1 LEU 89 HB3 -0.11 -0.07 0.01 -0.04 1.64 1.43 2oviB1 LEU 89 HG -0.27 0.05 -0.26 -0.04 1.64 1.12 2oviB1 LEU 89 HD13 0.01 -0.00 -0.31 -0.04 0.93 0.59 2oviB1 LEU 89 HD23 -0.25 0.01 -0.33 -0.04 0.89 0.28 2oviB1 ARG 90 H -0.07 0.65 0.30 -0.55 8.46 8.78 2oviB1 ARG 90 HA 0.02 0.12 0.61 -0.75 4.34 4.35 2oviB1 ARG 90 HB2 0.02 -0.05 0.06 -0.04 1.90 1.88 2oviB1 ARG 90 HB3 -0.00 0.01 0.01 -0.04 1.80 1.77 2oviB1 ARG 90 HG2 0.07 0.00 -0.04 -0.04 1.67 1.67 2oviB1 ARG 90 HG3 0.09 0.02 -0.13 -0.04 1.67 1.61 2oviB1 ARG 90 HD2 0.04 -0.04 -0.08 -0.04 3.22 3.10 2oviB1 ARG 90 HD3 0.01 0.00 -0.06 -0.04 3.22 3.14 2oviB1 GLY 91 H -0.06 -0.03 -0.05 -0.55 8.43 7.74 2oviB1 GLY 91 HA2 -0.12 0.39 0.38 -0.51 4.01 4.15 2oviB1 GLY 91 HA3 -0.09 0.17 0.73 -0.51 4.01 4.30 2oviB1 LYS 92 H -0.06 0.06 0.14 -0.55 8.42 8.00 2oviB1 LYS 92 HA 0.09 -0.01 0.39 -0.75 4.32 4.04 2oviB1 HIS 93 H -0.27 0.12 0.23 -0.55 8.41 7.95 2oviB1 HIS 93 HA 0.04 0.02 0.37 -0.75 4.63 4.30 2oviB1 HIS 93 HB2 0.14 0.01 0.09 -0.04 3.26 3.46 2oviB1 HIS 93 HB3 0.08 0.01 0.14 -0.04 3.20 3.39 2oviB1 HIS 93 HD2 0.04 0.00 0.06 -0.04 6.97 7.02 2oviB1 HIS 93 HE1 0.04 0.01 0.03 -0.04 7.75 7.79 2oviB1 GLY 94 H -0.02 0.13 -0.29 -0.55 8.43 7.71 2oviB1 GLY 94 HA2 0.03 -0.06 0.32 -0.51 4.01 3.79 2oviB1 GLY 94 HA3 0.14 0.19 0.95 -0.51 4.01 4.78 2oviB1 MET 95 H -0.61 0.48 -0.06 -0.55 8.47 7.74 2oviB1 MET 95 HA -0.24 0.10 0.72 -0.75 4.52 4.34 2oviB1 MET 95 HB2 -0.80 -0.01 0.03 -0.04 2.15 1.33 2oviB1 MET 95 HB3 -1.69 0.07 0.07 -0.04 2.03 0.44 2oviB1 MET 95 HG2 -0.28 -0.12 -0.35 -0.04 2.63 1.84 2oviB1 MET 95 HG3 -0.20 0.12 -0.06 -0.04 2.56 2.38 2oviB1 MET 95 HE3 0.04 0.01 -0.06 -0.04 2.10 2.05 2oviB1 SER 96 H -0.15 0.28 0.21 -0.55 8.46 8.26 2oviB1 SER 96 HA -0.17 0.04 0.49 -0.75 4.49 4.10 2oviB1 SER 96 HB2 -0.17 -0.01 0.07 -0.04 3.95 3.80 2oviB1 SER 96 HB3 -0.12 0.08 -0.19 -0.04 3.93 3.65 2oviB1 GLY 97 H -0.37 0.28 0.19 -0.55 8.43 7.99 2oviB1 GLY 97 HA2 -0.29 0.05 0.30 -0.51 4.01 3.55 2oviB1 GLY 97 HA3 -0.16 0.21 0.87 -0.51 4.01 4.43 2oviB1 HIS 98 H -0.01 0.30 0.19 -0.55 8.41 8.35 2oviB1 HIS 98 HA -0.14 0.29 1.00 -0.75 4.63 5.02 2oviB1 HIS 98 HB2 -0.01 -0.01 -0.00 -0.04 3.26 3.20 2oviB1 HIS 98 HB3 0.00 -0.01 -0.08 -0.04 3.20 3.07 2oviB1 HIS 98 HD2 -0.10 -0.00 -0.06 -0.04 6.97 6.76 2oviB1 HIS 98 HE1 -0.13 0.04 -0.06 -0.04 7.75 7.56 2oviB1 ILE 99 H -0.02 0.74 0.31 -0.55 8.25 8.73 2oviB1 ILE 99 HA 0.01 0.21 0.94 -0.75 4.18 4.59 2oviB1 ILE 99 HB -0.11 -0.02 0.07 -0.04 1.89 1.79 2oviB1 ILE 99 HG12 0.00 0.06 -0.12 -0.04 1.49 1.40 2oviB1 ILE 99 HG13 -0.03 -0.06 -0.54 -0.04 1.21 0.54 2oviB1 ILE 99 HG23 -0.14 -0.02 -0.28 -0.04 0.93 0.46 2oviB1 ILE 99 HD13 -0.08 0.01 -0.16 -0.04 0.88 0.61 2oviB1 LYS 100 H -0.07 0.26 0.06 -0.55 8.42 8.12 2oviB1 LYS 100 HA -0.30 0.16 0.76 -0.75 4.32 4.18 2oviB1 LYS 100 HB2 -0.14 0.00 0.24 -0.04 1.87 1.93 2oviB1 LYS 100 HB3 -0.26 0.01 0.16 -0.04 1.79 1.65 2oviB1 LYS 100 HG2 -0.78 0.10 0.03 -0.04 1.46 0.77 2oviB1 LYS 100 HG3 -0.10 0.00 0.05 -0.04 1.46 1.38 2oviB1 LYS 100 HD2 -0.10 0.04 0.02 -0.04 1.69 1.61 2oviB1 LYS 100 HD3 -0.12 -0.03 0.05 -0.04 1.68 1.55 2oviB1 LYS 100 HE2 -0.25 -0.07 0.04 -0.04 2.99 2.67 2oviB1 LYS 100 HE3 -0.66 0.14 0.06 -0.04 2.99 2.48 2oviB1 ALA 101 H -0.33 0.38 0.04 -0.55 8.40 7.95 2oviB1 ALA 101 HA -0.52 0.07 0.30 -0.75 4.34 3.44 2oviB1 ALA 101 HB3 -1.09 0.03 0.01 -0.04 1.41 0.31 2oviB1 GLU 102 H -0.21 0.06 -0.38 -0.55 8.60 7.53 2oviB1 GLU 102 HA -0.13 0.09 0.28 -0.75 4.29 3.78 2oviB1 GLU 102 HB2 -0.14 -0.04 0.02 -0.04 2.09 1.88 2oviB1 GLU 102 HB3 -0.15 0.03 -0.04 -0.04 1.99 1.79 2oviB1 GLU 102 HG2 -0.09 0.01 -0.02 -0.04 2.34 2.20 2oviB1 GLU 102 HG3 -0.08 0.03 -0.03 -0.04 2.34 2.22 2oviB1 ASN 103 H -0.13 0.31 -0.44 -0.55 8.53 7.72 2oviB1 ASN 103 HA -0.04 0.11 0.69 -0.75 4.76 4.76 2oviB1 ASN 103 HB2 -0.06 0.18 0.11 -0.04 2.88 3.07 2oviB1 ASN 103 HB3 -0.01 -0.14 0.15 -0.04 2.79 2.75 2oviB1 ASN 103 HD21 -0.06 0.03 0.03 -0.04 7.03 6.99 2oviB1 ASN 103 HD22 -0.04 -0.02 0.06 -0.04 7.74 7.70 2oviB1 CYS 104 H -0.06 0.51 -0.22 -0.55 8.50 8.19 2oviB1 CYS 104 HA 0.11 0.19 0.76 -0.75 4.58 4.89 2oviB1 CYS 104 HB2 0.18 0.01 0.12 -0.04 2.97 3.23 2oviB1 CYS 104 HB3 0.27 0.02 0.03 -0.04 2.97 3.25 2oviB1 THR 105 H 0.10 0.39 0.36 -0.55 8.28 8.58 2oviB1 THR 105 HA -0.10 0.13 0.73 -0.75 4.39 4.39 2oviB1 THR 105 HB -0.22 -0.01 0.09 -0.04 4.32 4.14 2oviB1 THR 105 HG23 0.00 0.03 -0.03 -0.04 1.22 1.18 2oviB1 HIS 106 H 0.20 0.39 0.22 -0.55 8.41 8.66 2oviB1 HIS 106 HA 0.07 0.25 0.87 -0.75 4.63 5.06 2oviB1 HIS 106 HB2 0.06 -0.12 -0.15 -0.04 3.26 3.02 2oviB1 HIS 106 HB3 0.02 0.06 -0.09 -0.04 3.20 3.14 2oviB1 HIS 106 HD2 -0.02 0.05 -0.15 -0.04 6.97 6.81 2oviB1 HIS 106 HE1 -0.02 0.00 -0.07 -0.04 7.75 7.61 2oviB1 ILE 107 H 0.16 0.64 0.24 -0.55 8.25 8.74 2oviB1 ILE 107 HA 0.04 0.25 1.01 -0.75 4.18 4.73 2oviB1 ILE 107 HB -0.03 0.02 -0.05 -0.04 1.89 1.79 2oviB1 ILE 107 HG12 -0.10 0.01 -0.10 -0.04 1.49 1.26 2oviB1 ILE 107 HG13 0.14 -0.16 -0.72 -0.04 1.21 0.43 2oviB1 ILE 107 HG23 -0.38 0.01 -0.21 -0.04 0.93 0.31 2oviB1 ILE 107 HD13 0.17 0.02 -0.21 -0.04 0.88 0.81 2oviB1 ALA 108 H 0.04 0.48 0.35 -0.55 8.40 8.73 2oviB1 ALA 108 HA 0.02 0.45 1.30 -0.75 4.34 5.35 2oviB1 ALA 108 HB3 0.18 -0.02 -0.06 -0.04 1.41 1.46 2oviB1 LEU 109 H -0.03 0.69 0.37 -0.55 8.37 8.86 2oviB1 LEU 109 HA 0.03 0.23 1.01 -0.75 4.35 4.87 2oviB1 LEU 109 HB2 -0.18 0.02 0.22 -0.04 1.64 1.66 2oviB1 LEU 109 HB3 -0.46 0.02 0.06 -0.04 1.64 1.22 2oviB1 LEU 109 HG -0.29 0.01 0.04 -0.04 1.64 1.35 2oviB1 LEU 109 HD13 -0.17 -0.02 -0.25 -0.04 0.93 0.45 2oviB1 LEU 109 HD23 -0.73 -0.00 -0.04 -0.04 0.89 0.08 2oviB1 ILE 110 H 0.23 0.67 0.37 -0.55 8.25 8.97 2oviB1 ILE 110 HA 0.14 0.34 1.16 -0.75 4.18 5.06 2oviB1 ILE 110 HB 0.06 0.16 0.09 -0.04 1.89 2.16 2oviB1 ILE 110 HG12 -0.01 -0.10 -0.08 -0.04 1.49 1.26 2oviB1 ILE 110 HG13 0.03 0.05 -0.66 -0.04 1.21 0.59 2oviB1 ILE 110 HG23 0.06 -0.00 -0.30 -0.04 0.93 0.64 2oviB1 ILE 110 HD13 0.02 -0.02 -0.18 -0.04 0.88 0.66 2oviB1 GLU 111 H 0.09 0.67 0.32 -0.55 8.60 9.14 2oviB1 GLU 111 HA 0.00 0.33 1.16 -0.75 4.29 5.03 2oviB1 GLU 111 HB2 0.11 0.02 0.13 -0.04 2.09 2.31 2oviB1 GLU 111 HB3 0.05 -0.02 0.04 -0.04 1.99 2.02 2oviB1 GLU 111 HG2 -0.11 0.00 0.04 -0.04 2.34 2.23 2oviB1 GLU 111 HG3 0.18 -0.05 -0.33 -0.04 2.34 2.10 2oviB1 ARG 112 H 0.04 0.63 0.39 -0.55 8.46 8.97 2oviB1 ARG 112 HA 0.03 0.07 0.42 -0.75 4.34 4.11 2oviB1 ARG 112 HB2 0.03 -0.03 0.18 -0.04 1.90 2.04 2oviB1 ARG 112 HB3 0.03 0.16 0.02 -0.04 1.80 1.97 2oviB1 ARG 112 HG2 0.05 -0.09 -0.31 -0.04 1.67 1.28 2oviB1 ARG 112 HG3 0.07 0.08 -0.42 -0.04 1.67 1.37 2oviB1 ARG 112 HD2 0.01 0.02 -0.07 -0.04 3.22 3.15 2oviB1 ARG 112 HD3 0.02 -0.03 -0.15 -0.04 3.22 3.02 2oviB1 LYS 113 H 0.04 0.14 0.15 -0.55 8.42 8.20 2oviB1 LYS 113 HA 0.08 0.40 0.88 -0.75 4.32 4.93 2oviB1 LYS 113 HB2 0.04 0.01 0.04 -0.04 1.87 1.92 2oviB1 LYS 113 HB3 0.04 -0.03 -0.17 -0.04 1.79 1.58 2oviB1 LYS 113 HG2 0.03 -0.02 -0.31 -0.04 1.46 1.12 2oviB1 LYS 113 HG3 0.02 -0.06 -0.09 -0.04 1.46 1.29 2oviB1 LYS 113 HD2 0.01 -0.03 -0.09 -0.04 1.69 1.54 2oviB1 LYS 113 HD3 0.01 0.03 -0.08 -0.04 1.68 1.60 2oviB1 LYS 113 HE2 0.01 -0.06 -0.47 -0.04 2.99 2.43 2oviB1 LYS 113 HE3 0.01 -0.11 -0.20 -0.04 2.99 2.65 2oviB1 PHE 114 H 0.14 0.69 0.22 -0.55 8.34 8.84 2oviB1 PHE 114 HA 0.02 0.29 0.74 -0.75 4.62 4.93 2oviB1 PHE 114 HB2 0.07 0.00 -0.21 -0.04 3.15 2.97 2oviB1 PHE 114 HB3 0.03 0.00 -0.02 -0.04 3.06 3.03 2oviB1 PHE 114 HD2 -0.01 0.16 -0.03 -0.04 7.28 7.36 2oviB1 PHE 114 HE2 -0.02 -0.07 -0.16 -0.04 7.38 7.09 2oviB1 PHE 114 HZ 0.02 -0.05 -0.10 -0.04 7.32 7.16 2oviB1 MET 115 H -0.07 0.46 0.21 -0.55 8.47 8.52 2oviB1 MET 115 HA -0.22 0.04 0.37 -0.75 4.52 3.96 2oviB1 MET 115 HB2 -0.36 0.15 0.11 -0.04 2.15 2.01 2oviB1 MET 115 HB3 -0.30 -0.01 0.20 -0.04 2.03 1.87 2oviB1 MET 115 HG2 -2.39 -0.08 -0.36 -0.04 2.63 -0.24 2oviB1 MET 115 HG3 -0.81 0.00 -0.09 -0.04 2.56 1.62 2oviB1 MET 115 HE3 -0.19 -0.00 0.00 -0.04 2.10 1.86 2oviB1 GLY 116 H -0.01 0.09 -0.41 -0.55 8.43 7.55 2oviB1 GLY 116 HA2 -0.01 0.00 0.23 -0.51 4.01 3.73 2oviB1 GLY 116 HA3 -0.04 0.10 0.43 -0.51 4.01 3.99 2oviB1 MET 117 H -0.03 0.59 -0.35 -0.55 8.47 8.13 2oviB1 MET 117 HA -0.01 0.19 1.05 -0.75 4.52 4.99 2oviB1 MET 117 HB2 -0.02 0.06 0.06 -0.04 2.15 2.21 2oviB1 MET 117 HB3 -0.00 0.04 0.10 -0.04 2.03 2.12 2oviB1 MET 117 HG2 -0.02 -0.03 0.00 -0.04 2.63 2.54 2oviB1 MET 117 HG3 -0.05 0.05 -0.15 -0.04 2.56 2.37 2oviB1 MET 117 HE3 -0.09 0.00 0.01 -0.04 2.10 1.99 2oviB1 ASP 118 H 0.00 0.09 0.19 -0.55 8.40 8.14 2oviB1 ASP 118 HA 0.03 0.07 0.44 -0.75 4.63 4.42 2oviB1 ASP 118 HB2 -0.01 -0.07 0.17 -0.04 2.71 2.76 2oviB1 ASP 118 HB3 -0.01 0.00 -0.05 -0.04 2.70 2.60 2oviB1 THR 119 H 0.04 0.40 0.35 -0.55 8.28 8.52 2oviB1 THR 119 HA 0.07 0.08 0.82 -0.75 4.39 4.60 2oviB1 THR 119 HB 0.18 0.08 -0.26 -0.04 4.32 4.27 2oviB1 THR 119 HG23 0.16 0.15 -0.16 -0.04 1.22 1.33 2oviB1 ALA 120 H 0.00 0.23 0.23 -0.55 8.40 8.32 2oviB1 ALA 120 HA -0.22 0.42 1.06 -0.75 4.34 4.85 2oviB1 ALA 120 HB3 -0.74 -0.02 0.06 -0.04 1.41 0.67 2oviB1 SER 121 H -0.06 0.71 0.41 -0.55 8.46 8.97 2oviB1 SER 121 HA -0.24 0.27 1.12 -0.75 4.49 4.88 2oviB1 SER 121 HB2 -0.84 -0.02 -0.05 -0.04 3.95 3.01 2oviB1 SER 121 HB3 -1.37 -0.00 -0.18 -0.04 3.93 2.33 2oviB1 ILE 122 H -0.17 0.63 0.41 -0.55 8.25 8.56 2oviB1 ILE 122 HA -0.08 0.39 1.12 -0.75 4.18 4.84 2oviB1 ILE 122 HB -0.07 -0.07 0.16 -0.04 1.89 1.87 2oviB1 ILE 122 HG12 0.02 0.05 -0.03 -0.04 1.49 1.49 2oviB1 ILE 122 HG13 0.27 -0.07 -0.30 -0.04 1.21 1.06 2oviB1 ILE 122 HG23 -0.51 -0.00 -0.16 -0.04 0.93 0.21 2oviB1 ILE 122 HD13 0.02 -0.01 -0.08 -0.04 0.88 0.77 2oviB1 LEU 123 H -0.20 0.67 0.34 -0.55 8.37 8.63 2oviB1 LEU 123 HA -0.18 0.23 1.07 -0.75 4.35 4.72 2oviB1 LEU 123 HB2 -0.13 0.04 0.09 -0.04 1.64 1.59 2oviB1 LEU 123 HB3 -0.92 -0.05 -0.08 -0.04 1.64 0.55 2oviB1 LEU 123 HG -0.20 0.04 -0.02 -0.04 1.64 1.42 2oviB1 LEU 123 HD13 -0.20 -0.00 -0.42 -0.04 0.93 0.27 2oviB1 LEU 123 HD23 -0.07 -0.01 -0.13 -0.04 0.89 0.64 2oviB1 PHE 124 H 0.07 0.61 0.35 -0.55 8.34 8.81 2oviB1 PHE 124 HA 0.06 0.21 1.01 -0.75 4.62 5.15 2oviB1 PHE 124 HB2 0.07 -0.09 0.19 -0.04 3.15 3.28 2oviB1 PHE 124 HB3 0.14 0.02 0.02 -0.04 3.06 3.20 2oviB1 PHE 124 HD2 0.18 0.06 -0.12 -0.04 7.28 7.36 2oviB1 PHE 124 HE2 -0.10 0.02 -0.14 -0.04 7.38 7.12 2oviB1 PHE 124 HZ -0.11 0.02 -0.17 -0.04 7.32 7.02 2oviB1 PHE 125 H 0.36 0.93 0.40 -0.55 8.34 9.48 2oviB1 PHE 125 HA 0.12 0.24 1.14 -0.75 4.62 5.36 2oviB1 PHE 125 HB2 0.14 0.01 0.03 -0.04 3.15 3.29 2oviB1 PHE 125 HB3 0.09 0.00 -0.04 -0.04 3.06 3.07 2oviB1 PHE 125 HD2 0.04 0.02 -0.58 -0.04 7.28 6.71 2oviB1 PHE 125 HE2 -0.01 -0.02 -0.21 -0.04 7.38 7.10 2oviB1 PHE 125 HZ -0.02 0.05 -0.24 -0.04 7.32 7.08 2oviB1 ASN 126 H 0.23 0.39 0.34 -0.55 8.53 8.95 2oviB1 ASN 126 HA 0.12 0.55 0.93 -0.75 4.76 5.61 2oviB1 ASN 126 HB2 0.06 -0.00 0.26 -0.04 2.88 3.16 2oviB1 ASN 126 HB3 0.08 0.06 0.12 -0.04 2.79 3.02 2oviB1 ASN 126 HD21 0.08 -0.01 -0.02 -0.04 7.03 7.04 2oviB1 ASN 126 HD22 0.07 0.07 0.02 -0.04 7.74 7.86 2oviB1 LYS 127 H 0.06 0.29 0.24 -0.55 8.42 8.46 2oviB1 LYS 127 HA 0.11 0.10 0.44 -0.75 4.32 4.22 2oviB1 LYS 127 HB2 0.04 0.05 0.13 -0.04 1.87 2.05 2oviB1 LYS 127 HB3 0.04 0.06 0.17 -0.04 1.79 2.01 2oviB1 LYS 127 HG2 0.04 -0.10 0.13 -0.04 1.46 1.49 2oviB1 LYS 127 HG3 0.04 0.03 -0.25 -0.04 1.46 1.24 2oviB1 LYS 127 HD2 0.01 0.03 0.05 -0.04 1.69 1.74 2oviB1 LYS 127 HD3 0.01 0.00 0.01 -0.04 1.68 1.67 2oviB1 LYS 127 HE2 0.02 -0.00 -0.04 -0.04 2.99 2.92 2oviB1 LYS 127 HE3 0.02 0.01 0.01 -0.04 2.99 2.98 2oviB1 GLU 128 H 0.08 -0.01 -0.42 -0.55 8.60 7.70 2oviB1 GLU 128 HA 0.04 0.24 0.69 -0.75 4.29 4.51 2oviB1 GLU 128 HB2 0.06 -0.08 0.04 -0.04 2.09 2.07 2oviB1 GLU 128 HB3 0.05 0.05 0.12 -0.04 1.99 2.16 2oviB1 GLU 128 HG2 0.03 0.09 -0.01 -0.04 2.34 2.41 2oviB1 GLU 128 HG3 0.04 -0.06 -0.02 -0.04 2.34 2.26 2oviB1 GLY 129 H 0.11 0.64 -0.21 -0.55 8.43 8.42 2oviB1 GLY 129 HA2 -0.03 0.08 0.26 -0.51 4.01 3.80 2oviB1 GLY 129 HA3 -0.03 0.05 0.43 -0.51 4.01 3.96 2oviB1 SER 130 H 0.17 0.01 -0.26 -0.55 8.46 7.83 2oviB1 SER 130 HA 0.19 0.09 0.79 -0.75 4.49 4.81 2oviB1 SER 130 HB2 0.09 0.08 -0.03 -0.04 3.95 4.05 2oviB1 SER 130 HB3 0.10 -0.08 -0.01 -0.04 3.93 3.90 2oviB1 ALA 131 H 0.06 0.15 0.11 -0.55 8.40 8.18 2oviB1 ALA 131 HA -0.35 0.18 0.53 -0.75 4.34 3.95 2oviB1 ALA 131 HB3 -0.19 0.02 0.03 -0.04 1.41 1.24 2oviB1 MET 132 H 0.03 0.66 0.49 -0.55 8.47 9.11 2oviB1 MET 132 HA 0.06 0.03 0.50 -0.75 4.52 4.36 2oviB1 MET 132 HB2 0.10 0.02 0.03 -0.04 2.15 2.26 2oviB1 MET 132 HB3 0.06 -0.04 0.06 -0.04 2.03 2.06 2oviB1 MET 132 HG2 0.07 -0.06 0.00 -0.04 2.63 2.61 2oviB1 MET 132 HG3 0.11 0.06 0.08 -0.04 2.56 2.77 2oviB1 MET 132 HE3 0.01 -0.01 -0.17 -0.04 2.10 1.89 2oviB1 LEU 133 H 0.09 0.24 0.13 -0.55 8.37 8.29 2oviB1 LEU 133 HA 0.13 0.22 0.78 -0.75 4.35 4.72 2oviB1 LEU 133 HB2 0.09 -0.01 -0.32 -0.04 1.64 1.36 2oviB1 LEU 133 HB3 0.15 -0.09 -0.07 -0.04 1.64 1.60 2oviB1 LEU 133 HG 0.18 0.09 0.01 -0.04 1.64 1.88 2oviB1 LEU 133 HD13 0.13 0.01 -0.05 -0.04 0.93 0.98 2oviB1 LEU 133 HD23 0.19 -0.02 -0.14 -0.04 0.89 0.87 2oviB1 LYS 134 H 0.17 0.76 0.41 -0.55 8.42 9.21 2oviB1 LYS 134 HA 0.09 0.27 1.08 -0.75 4.32 5.01 2oviB1 LYS 134 HB2 0.28 -0.02 -0.01 -0.04 1.87 2.08 2oviB1 LYS 134 HB3 -0.09 0.03 0.00 -0.04 1.79 1.69 2oviB1 LYS 134 HG2 -0.03 0.01 -0.19 -0.04 1.46 1.21 2oviB1 LYS 134 HG3 0.12 -0.03 -0.25 -0.04 1.46 1.27 2oviB1 LYS 134 HD2 0.35 0.03 -0.12 -0.04 1.69 1.90 2oviB1 LYS 134 HD3 0.02 0.01 -0.11 -0.04 1.68 1.56 2oviB1 LYS 134 HE2 -0.02 -0.05 -0.06 -0.04 2.99 2.81 2oviB1 LYS 134 HE3 0.11 0.02 -0.06 -0.04 2.99 3.02 2oviB1 ILE 135 H -0.03 0.62 0.38 -0.55 8.25 8.67 2oviB1 ILE 135 HA 0.13 0.29 1.09 -0.75 4.18 4.93 2oviB1 ILE 135 HB 0.01 -0.07 0.16 -0.04 1.89 1.96 2oviB1 ILE 135 HG12 0.24 -0.06 -0.23 -0.04 1.49 1.39 2oviB1 ILE 135 HG13 -0.14 0.01 -0.09 -0.04 1.21 0.94 2oviB1 ILE 135 HG23 0.00 0.00 -0.21 -0.04 0.93 0.68 2oviB1 ILE 135 HD13 -0.00 0.05 -0.04 -0.04 0.88 0.85 2oviB1 PHE 136 H 0.31 0.82 0.35 -0.55 8.34 9.27 2oviB1 PHE 136 HA 0.04 0.22 1.14 -0.75 4.62 5.27 2oviB1 PHE 136 HB2 0.04 -0.00 0.16 -0.04 3.15 3.30 2oviB1 PHE 136 HB3 0.03 0.11 0.05 -0.04 3.06 3.21 2oviB1 PHE 136 HD2 0.05 0.05 -0.12 -0.04 7.28 7.22 2oviB1 PHE 136 HE2 0.04 -0.02 -0.17 -0.04 7.38 7.19 2oviB1 PHE 136 HZ -0.02 -0.05 -0.14 -0.04 7.32 7.07 2oviB1 LEU 137 H 0.05 0.51 0.31 -0.55 8.37 8.70 2oviB1 LEU 137 HA 0.12 0.01 0.46 -0.75 4.35 4.18 2oviB1 LEU 137 HB2 -0.09 0.00 0.21 -0.04 1.64 1.72 2oviB1 LEU 137 HB3 -0.06 0.03 0.10 -0.04 1.64 1.66 2oviB1 LEU 137 HG 0.00 -0.04 -0.01 -0.04 1.64 1.55 2oviB1 LEU 137 HD13 0.10 0.02 -0.14 -0.04 0.93 0.86 2oviB1 LEU 137 HD23 -0.41 -0.00 -0.16 -0.04 0.89 0.27 2oviB1 GLY 138 H 0.05 0.09 0.26 -0.55 8.43 8.29 2oviB1 GLY 138 HA2 0.02 0.10 0.49 -0.51 4.01 4.12 2oviB1 GLY 138 HA3 0.01 0.16 0.39 -0.51 4.01 4.07 2oviB1 ARG 139 H -0.01 0.21 0.16 -0.55 8.46 8.26 2oviB1 ARG 139 HA -0.02 0.12 0.91 -0.75 4.34 4.60 2oviB1 ARG 139 HB2 -0.02 0.01 -0.04 -0.04 1.90 1.81 2oviB1 ARG 139 HB3 -0.01 -0.12 -0.27 -0.04 1.80 1.36 2oviB1 ARG 139 HG2 -0.00 -0.03 -0.45 -0.04 1.67 1.15 2oviB1 ARG 139 HG3 0.00 0.01 -0.36 -0.04 1.67 1.28 2oviB1 ARG 139 HD2 -0.02 -0.05 -0.10 -0.04 3.22 3.02 2oviB1 ARG 139 HD3 -0.01 0.23 -0.18 -0.04 3.22 3.22 2oviB1 ASP 140 H -0.01 0.88 0.23 -0.55 8.40 8.95 2oviB1 ASP 140 HA -0.03 0.10 0.41 -0.75 4.63 4.36 2oviB1 ASP 140 HB2 0.03 -0.24 0.09 -0.04 2.71 2.55 2oviB1 ASP 140 HB3 -0.00 -0.21 0.18 -0.04 2.70 2.63 2oviB1 ASP 141 H -0.09 0.17 0.19 -0.55 8.40 8.12 2oviB1 ASP 141 HA -0.08 0.18 0.48 -0.75 4.63 4.46 2oviB1 ASP 141 HB2 -0.27 -0.02 0.09 -0.04 2.71 2.47 2oviB1 ASP 141 HB3 -0.17 0.07 0.12 -0.04 2.70 2.67 2oviB1 HIS 142 H -0.03 -0.08 -0.23 -0.55 8.41 7.52 2oviB1 HIS 142 HA -0.02 0.25 0.71 -0.75 4.63 4.81 2oviB1 HIS 142 HB2 -0.02 -0.11 0.03 -0.04 3.26 3.12 2oviB1 HIS 142 HB3 -0.02 0.08 0.11 -0.04 3.20 3.32 2oviB1 HIS 142 HD2 -0.02 -0.03 0.01 -0.04 6.97 6.88 2oviB1 HIS 142 HE1 -0.01 0.03 -0.02 -0.04 7.75 7.70 2oviB1 ARG 143 H 0.01 0.36 -0.64 -0.55 8.46 7.64 2oviB1 ARG 143 HA -0.00 0.09 0.16 -0.75 4.34 3.84 2oviB1 ARG 143 HB2 0.01 0.25 -0.11 -0.04 1.90 2.01 2oviB1 ARG 143 HB3 -0.01 -0.01 0.18 -0.04 1.80 1.91 2oviB1 ARG 143 HG2 -0.02 0.01 -0.05 -0.04 1.67 1.57 2oviB1 ARG 143 HG3 -0.01 0.02 -0.27 -0.04 1.67 1.37 2oviB1 ARG 143 HD2 -0.03 0.00 -0.01 -0.04 3.22 3.14 2oviB1 ARG 143 HD3 -0.03 -0.02 -0.04 -0.04 3.22 3.10 2oviB1 GLN 144 H 0.03 -0.14 -0.27 -0.55 8.47 7.55 2oviB1 GLN 144 HA -0.00 0.24 0.74 -0.75 4.36 4.59 2oviB1 GLN 144 HB2 0.02 -0.15 -0.02 -0.04 2.15 1.97 2oviB1 GLN 144 HB3 -0.00 0.08 0.03 -0.04 2.02 2.08 2oviB1 GLN 144 HG2 0.07 -0.06 -0.20 -0.04 2.40 2.16 2oviB1 GLN 144 HG3 -0.00 0.00 -0.03 -0.04 2.39 2.32 2oviB1 GLN 144 HE21 -0.01 0.01 -0.07 -0.04 6.97 6.86 2oviB1 GLN 144 HE22 0.02 0.41 -0.14 -0.04 7.69 7.95 2oviB1 LEU 145 H -0.02 0.17 0.11 -0.55 8.37 8.08 2oviB1 LEU 145 HA -0.04 0.24 0.46 -0.75 4.35 4.27 2oviB1 LEU 145 HB2 -0.06 -0.05 0.06 -0.04 1.64 1.55 2oviB1 LEU 145 HB3 -0.11 0.01 -0.10 -0.04 1.64 1.40 2oviB1 LEU 145 HG -0.03 0.13 -0.02 -0.04 1.64 1.69 2oviB1 LEU 145 HD13 -0.10 -0.03 -0.23 -0.04 0.93 0.53 2oviB1 LEU 145 HD23 -0.04 -0.00 -0.00 -0.04 0.89 0.80 2oviB1 LEU 146 H -0.05 0.50 0.21 -0.55 8.37 8.48 2oviB1 LEU 146 HA -0.05 0.03 0.47 -0.75 4.35 4.05 2oviB1 LEU 146 HB2 -0.08 -0.07 0.16 -0.04 1.64 1.61 2oviB1 LEU 146 HB3 -0.06 -0.08 0.06 -0.04 1.64 1.52 2oviB1 LEU 146 HG -0.03 0.15 -0.31 -0.04 1.64 1.41 2oviB1 LEU 146 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.86 2oviB1 LEU 146 HD23 -0.03 0.03 -0.15 -0.04 0.89 0.70 2oviB1 SER 147 H -0.06 0.19 0.22 -0.55 8.46 8.27 2oviB1 SER 147 HA -0.10 0.12 0.37 -0.75 4.49 4.13 2oviB1 SER 147 HB2 -0.05 0.05 0.06 -0.04 3.95 3.97 2oviB1 SER 147 HB3 -0.04 0.07 0.14 -0.04 3.93 4.06 2oviB1 GLU 148 H -0.09 0.07 -0.20 -0.55 8.60 7.84 2oviB1 GLU 148 HA -0.12 0.14 0.45 -0.75 4.29 3.99 2oviB1 GLU 148 HB2 -0.09 -0.05 0.05 -0.04 2.09 1.96 2oviB1 GLU 148 HB3 -0.11 0.09 0.01 -0.04 1.99 1.94 2oviB1 GLU 148 HG2 -0.06 -0.08 0.02 -0.04 2.34 2.18 2oviB1 GLU 148 HG3 -0.04 0.05 0.02 -0.04 2.34 2.32 2oviB1 GLN 149 H -0.19 0.10 -0.28 -0.55 8.47 7.55 2oviB1 GLN 149 HA -0.73 0.11 0.52 -0.75 4.36 3.51 2oviB1 GLN 149 HB2 -0.18 0.12 0.17 -0.04 2.15 2.22 2oviB1 GLN 149 HB3 -0.25 0.02 0.05 -0.04 2.02 1.81 2oviB1 GLN 149 HG2 -0.13 0.03 0.03 -0.04 2.40 2.29 2oviB1 GLN 149 HG3 -0.10 -0.09 0.03 -0.04 2.39 2.20 2oviB1 GLN 149 HE21 0.10 0.58 -0.16 -0.04 6.97 7.45 2oviB1 GLN 149 HE22 0.11 -0.33 -0.06 -0.04 7.69 7.37 2oviB1 VAL 150 H -0.25 0.52 -0.08 -0.55 8.24 7.88 2oviB1 VAL 150 HA -0.42 0.02 0.20 -0.75 4.13 3.17 2oviB1 VAL 150 HB -0.20 0.04 0.09 -0.04 2.12 2.01 2oviB1 VAL 150 HG13 -0.40 0.00 -0.14 -0.04 0.97 0.39 2oviB1 VAL 150 HG23 -0.23 0.04 -0.10 -0.04 0.95 0.62 2oviB1 SER 151 H -0.22 0.54 -0.21 -0.55 8.46 8.03 2oviB1 SER 151 HA -0.05 0.05 0.41 -0.75 4.49 4.15 2oviB1 SER 151 HB2 -0.05 -0.01 -0.03 -0.04 3.95 3.82 2oviB1 SER 151 HB3 -0.05 -0.02 0.08 -0.04 3.93 3.90 2oviB1 ALA 152 H -0.37 0.40 -0.20 -0.55 8.40 7.68 2oviB1 ALA 152 HA -0.12 0.02 0.43 -0.75 4.34 3.91 2oviB1 ALA 152 HB3 -0.81 0.03 0.12 -0.04 1.41 0.70 2oviB1 PHE 153 H -0.50 0.79 -0.12 -0.55 8.34 7.96 2oviB1 PHE 153 HA 0.18 -0.01 0.40 -0.75 4.62 4.43 2oviB1 PHE 153 HB2 -0.36 -0.05 -0.00 -0.04 3.15 2.70 2oviB1 PHE 153 HB3 -0.38 0.14 0.11 -0.04 3.06 2.89 2oviB1 PHE 153 HD2 0.07 0.04 -0.20 -0.04 7.28 7.14 2oviB1 PHE 153 HE2 0.05 0.04 -0.18 -0.04 7.38 7.25 2oviB1 PHE 153 HZ 0.01 -0.02 -0.08 -0.04 7.32 7.19 2oviB1 HIS 154 H -0.00 0.53 -0.16 -0.55 8.41 8.23 2oviB1 HIS 154 HA 0.06 0.02 0.37 -0.75 4.63 4.32 2oviB1 HIS 154 HB2 0.02 0.10 0.17 -0.04 3.26 3.52 2oviB1 HIS 154 HB3 0.03 -0.04 -0.00 -0.04 3.20 3.15 2oviB1 HIS 154 HD2 0.28 -0.02 -0.08 -0.04 6.97 7.11 2oviB1 HIS 154 HE1 0.00 -0.04 -0.07 -0.04 7.75 7.60 2oviB1 THR 155 H 0.06 0.41 -0.26 -0.55 8.28 7.94 2oviB1 THR 155 HA 0.04 0.06 0.51 -0.75 4.39 4.25 2oviB1 THR 155 HB 0.04 0.09 0.16 -0.04 4.32 4.57 2oviB1 THR 155 HG23 0.04 -0.02 -0.07 -0.04 1.22 1.13 2oviB1 LEU 156 H 0.08 0.54 -0.11 -0.55 8.37 8.33 2oviB1 LEU 156 HA 0.06 0.00 0.40 -0.75 4.35 4.06 2oviB1 LEU 156 HB2 0.28 0.02 0.07 -0.04 1.64 1.97 2oviB1 LEU 156 HB3 0.10 0.12 0.15 -0.04 1.64 1.97 2oviB1 LEU 156 HG -0.06 0.00 -0.27 -0.04 1.64 1.28 2oviB1 LEU 156 HD13 -0.00 -0.02 -0.07 -0.04 0.93 0.80 2oviB1 LEU 156 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.78 2oviB1 ALA 157 H -0.11 0.50 -0.19 -0.55 8.40 8.05 2oviB1 ALA 157 HA -0.11 -0.05 0.35 -0.75 4.34 3.78 2oviB1 ALA 157 HB3 -0.13 0.02 0.06 -0.04 1.41 1.32 2oviB1 ALA 158 H -0.01 0.29 -0.29 -0.55 8.40 7.85 2oviB1 ALA 158 HA -0.01 0.05 0.45 -0.75 4.34 4.07 2oviB1 ALA 158 HB3 0.00 -0.03 0.09 -0.04 1.41 1.43 2oviB1 SER 159 H 0.01 0.52 -0.08 -0.55 8.46 8.36 2oviB1 SER 159 HA 0.01 0.01 0.40 -0.75 4.49 4.15 2oviB1 SER 159 HB2 0.02 -0.12 0.06 -0.04 3.95 3.87 2oviB1 SER 159 HB3 0.02 0.02 0.10 -0.04 3.93 4.03 2oviB1 LEU 160 H -0.02 0.56 -0.20 -0.55 8.37 8.17 2oviB1 LEU 160 HA -0.01 -0.13 0.46 -0.75 4.35 3.91 2oviB1 LEU 160 HB2 -0.04 0.13 0.06 -0.04 1.64 1.75 2oviB1 LEU 160 HB3 -0.03 -0.14 -0.02 -0.04 1.64 1.41 2oviB1 LEU 160 HG -0.03 0.14 -0.04 -0.04 1.64 1.66 2oviB1 LEU 160 HD13 -0.08 -0.04 -0.16 -0.04 0.93 0.61 2oviB1 LEU 160 HD23 -0.02 -0.04 -0.05 -0.04 0.89 0.74 2oviB1 LYS 161 H -0.00 -0.07 0.08 -0.55 8.42 7.87 2oviB1 LYS 161 HA -0.00 -0.06 0.23 -0.75 4.32 3.73