============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 11 0.900 -27.270 46.976 4.902 -99.200 -91.000 TRP 12 1.040 -19.755 45.244 6.087 -99.200 -91.000 TRP6 12 1.020 -18.885 43.083 6.506 -99.200 -91.000 PHE 17 1.000 -24.681 50.423 1.696 -99.200 -91.000 PHE 19 1.000 -22.895 48.997 -3.487 -99.200 -91.000 PHE 29 1.000 -10.583 48.819 -11.206 -99.200 -91.000 PHE 34 1.000 -12.176 59.300 -7.701 -99.200 -91.000 TYR 51 0.840 -19.789 55.279 -2.980 -99.200 -91.000 TRP 58 1.040 -7.227 40.054 -9.073 -99.200 -91.000 TRP6 58 1.020 -8.821 38.440 -8.405 -99.200 -91.000 PHE 64 1.000 -18.431 50.432 -6.513 -99.200 -91.000 TYR 65 0.840 -16.360 49.576 4.299 -99.200 -91.000 HIS 80 0.900 -33.545 52.557 2.553 -99.200 -91.000 TRP 109 1.040 4.801 52.042 5.968 -99.200 -91.000 TRP6 109 1.020 4.557 51.645 8.290 -99.200 -91.000 PHE 110 1.000 -1.898 49.496 0.635 -99.200 -91.000 PHE 120 1.000 -5.334 52.635 1.139 -99.200 -91.000 TYR 130 0.840 0.395 41.380 -1.288 -99.200 -91.000 PHE 133 1.000 5.968 49.272 -3.120 -99.200 -91.000 HIS 140 0.900 -10.129 50.498 8.468 -99.200 -91.000 TYR 150 0.840 -15.085 45.800 3.076 -99.200 -91.000 TYR 174 0.840 -6.492 44.128 9.858 -99.200 -91.000 TYR 175 0.840 -0.650 48.824 14.617 -99.200 -91.000 PHE 183 1.000 -9.268 45.606 18.174 -99.200 -91.000 HIS 184 0.900 -5.362 43.569 19.248 -99.200 -91.000 HIS 185 0.900 -1.959 46.130 18.964 -99.200 -91.000 PHE 199 1.000 7.596 53.628 12.711 -99.200 -91.000 PHE 222 1.000 -5.842 59.671 8.183 -99.200 -91.000 TYR 233 0.840 8.722 58.851 11.305 -99.200 -91.000 PHE 246 1.000 3.623 62.203 1.315 -99.200 -91.000 PHE 252 1.000 -14.868 61.657 5.310 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vniA1 PRO 16 HA 0.00 -0.06 0.23 -0.51 4.44 4.11 2vniA1 PRO 16 HB2 -0.00 -0.01 -0.09 -0.04 2.28 2.14 2vniA1 PRO 16 HB3 0.00 -0.06 -0.12 -0.04 2.02 1.80 2vniA1 PRO 16 HG2 0.00 -0.02 -0.03 -0.04 2.03 1.95 2vniA1 PRO 16 HG3 0.00 -0.03 -0.02 -0.04 2.03 1.95 2vniA1 PRO 16 HD2 0.00 -0.01 0.04 -0.04 3.68 3.67 2vniA1 PRO 16 HD3 0.00 -0.01 0.01 -0.04 3.65 3.61 2vniA1 ASP 17 H 0.01 0.45 0.27 -0.55 8.40 8.58 2vniA1 ASP 17 HA 0.01 0.13 0.69 -0.75 4.63 4.70 2vniA1 ASP 17 HB2 0.01 0.11 0.16 -0.04 2.71 2.95 2vniA1 ASP 17 HB3 0.01 0.01 0.00 -0.04 2.70 2.68 2vniA1 ALA 18 H 0.01 0.23 0.18 -0.55 8.40 8.27 2vniA1 ALA 18 HA -0.01 0.30 0.90 -0.75 4.34 4.78 2vniA1 ALA 18 HB3 -0.00 -0.00 0.03 -0.04 1.41 1.39 2vniA1 GLN 19 H 0.01 0.50 0.25 -0.55 8.47 8.68 2vniA1 GLN 19 HA 0.03 0.16 0.89 -0.75 4.36 4.68 2vniA1 GLN 19 HB2 0.05 -0.04 -0.02 -0.04 2.15 2.09 2vniA1 GLN 19 HB3 0.06 0.12 0.09 -0.04 2.02 2.24 2vniA1 GLN 19 HG2 0.03 -0.11 -0.31 -0.04 2.40 1.97 2vniA1 GLN 19 HG3 0.05 0.10 -0.07 -0.04 2.39 2.44 2vniA1 GLN 19 HE21 0.03 -0.05 -0.20 -0.04 6.97 6.72 2vniA1 GLN 19 HE22 0.04 0.07 -0.22 -0.04 7.69 7.54 2vniA1 THR 20 H 0.04 0.11 0.19 -0.55 8.28 8.07 2vniA1 THR 20 HA 0.01 0.30 1.00 -0.75 4.39 4.94 2vniA1 THR 20 HB 0.03 -0.08 0.06 -0.04 4.32 4.29 2vniA1 THR 20 HG23 0.02 0.10 -0.11 -0.04 1.22 1.19 2vniA1 VAL 21 H 0.01 0.71 0.30 -0.55 8.24 8.71 2vniA1 VAL 21 HA 0.11 0.22 0.67 -0.75 4.13 4.38 2vniA1 VAL 21 HB 0.00 -0.01 0.17 -0.04 2.12 2.24 2vniA1 VAL 21 HG13 0.07 -0.02 -0.27 -0.04 0.97 0.71 2vniA1 VAL 21 HG23 -0.09 0.02 -0.17 -0.04 0.95 0.68 2vniA1 THR 22 H 0.11 0.63 0.33 -0.55 8.28 8.80 2vniA1 THR 22 HA 0.05 0.16 0.90 -0.75 4.39 4.75 2vniA1 THR 22 HB 0.05 -0.01 0.07 -0.04 4.32 4.39 2vniA1 THR 22 HG23 0.05 0.03 -0.13 -0.04 1.22 1.13 2vniA1 SER 23 H 0.12 0.25 0.16 -0.55 8.46 8.44 2vniA1 SER 23 HA 0.07 0.07 0.40 -0.75 4.49 4.28 2vniA1 SER 23 HB2 0.07 0.03 0.08 -0.04 3.95 4.10 2vniA1 SER 23 HB3 0.07 0.22 -0.13 -0.04 3.93 4.05 2vniA1 VAL 24 H 0.08 0.28 0.20 -0.55 8.24 8.24 2vniA1 VAL 24 HA 0.21 0.24 1.02 -0.75 4.13 4.85 2vniA1 VAL 24 HB 0.09 -0.05 0.03 -0.04 2.12 2.16 2vniA1 VAL 24 HG13 0.14 0.03 -0.13 -0.04 0.97 0.97 2vniA1 VAL 24 HG23 0.10 0.01 -0.31 -0.04 0.95 0.71 2vniA1 ARG 25 H 0.10 0.68 0.32 -0.55 8.46 9.00 2vniA1 ARG 25 HA -0.11 0.13 0.80 -0.75 4.34 4.40 2vniA1 ARG 25 HB2 -0.04 -0.05 0.03 -0.04 1.90 1.80 2vniA1 ARG 25 HB3 -0.70 0.02 -0.05 -0.04 1.80 1.02 2vniA1 ARG 25 HG2 -0.10 0.08 0.04 -0.04 1.67 1.65 2vniA1 ARG 25 HG3 0.02 -0.05 -0.51 -0.04 1.67 1.09 2vniA1 ARG 25 HD2 -0.13 -0.01 -0.07 -0.04 3.22 2.97 2vniA1 ARG 25 HD3 0.04 0.02 -0.08 -0.04 3.22 3.15 2vniA1 HIS 26 H -0.08 0.20 0.15 -0.55 8.41 8.14 2vniA1 HIS 26 HA 0.01 0.11 1.04 -0.75 4.63 5.03 2vniA1 HIS 26 HB2 -0.10 -0.01 0.14 -0.04 3.26 3.24 2vniA1 HIS 26 HB3 -0.04 0.04 0.00 -0.04 3.20 3.16 2vniA1 HIS 26 HD2 -0.07 -0.05 -0.12 -0.04 6.97 6.69 2vniA1 HIS 26 HE1 -0.54 0.13 -0.00 -0.04 7.75 7.30 2vniA1 TRP 27 H 0.23 0.56 0.39 -0.55 7.97 8.60 2vniA1 TRP 27 HA 0.13 0.19 0.86 -0.75 4.62 5.05 2vniA1 TRP 27 HB2 0.16 -0.06 0.02 -0.04 3.23 3.30 2vniA1 TRP 27 HB3 0.16 -0.03 -0.00 -0.04 3.23 3.31 2vniA1 TRP 27 HD1 0.15 -0.05 -0.23 -0.04 7.22 7.05 2vniA1 TRP 27 HE1 0.09 0.02 -0.06 -0.04 10.20 10.21 2vniA1 TRP 27 HE3 0.13 -0.01 -0.03 -0.04 7.59 7.64 2vniA1 TRP 27 HZ2 0.26 0.05 -0.10 -0.04 7.44 7.61 2vniA1 TRP 27 HZ3 0.09 0.02 -0.13 -0.04 7.13 7.08 2vniA1 TRP 27 HH2 0.10 0.05 -0.10 -0.04 7.19 7.21 2vniA1 THR 28 H 0.28 0.39 0.35 -0.55 8.28 8.75 2vniA1 THR 28 HA 0.14 0.28 0.75 -0.75 4.39 4.80 2vniA1 THR 28 HB 0.10 -0.04 0.18 -0.04 4.32 4.51 2vniA1 THR 28 HG23 0.18 0.01 -0.32 -0.04 1.22 1.05 2vniA1 ASP 29 H 0.07 0.16 0.15 -0.55 8.40 8.23 2vniA1 ASP 29 HA 0.05 0.19 0.46 -0.75 4.63 4.59 2vniA1 ASP 29 HB2 0.02 0.07 0.17 -0.04 2.71 2.93 2vniA1 ASP 29 HB3 0.03 0.03 0.14 -0.04 2.70 2.85 2vniA1 THR 30 H 0.09 -0.16 -0.52 -0.55 8.28 7.14 2vniA1 THR 30 HA 0.05 0.32 0.92 -0.75 4.39 4.93 2vniA1 THR 30 HB -0.01 -0.06 0.23 -0.04 4.32 4.44 2vniA1 THR 30 HG23 0.00 0.02 -0.12 -0.04 1.22 1.08 2vniA1 LEU 31 H 0.17 0.13 0.01 -0.55 8.37 8.13 2vniA1 LEU 31 HA 0.05 0.49 1.12 -0.75 4.35 5.25 2vniA1 LEU 31 HB2 0.22 -0.16 0.06 -0.04 1.64 1.73 2vniA1 LEU 31 HB3 -0.05 0.10 0.01 -0.04 1.64 1.66 2vniA1 LEU 31 HG 0.01 -0.14 -0.45 -0.04 1.64 1.02 2vniA1 LEU 31 HD13 0.10 -0.01 -0.06 -0.04 0.93 0.92 2vniA1 LEU 31 HD23 -0.29 0.04 -0.06 -0.04 0.89 0.53 2vniA1 PHE 32 H -0.03 0.66 0.39 -0.55 8.34 8.80 2vniA1 PHE 32 HA 0.22 0.04 0.85 -0.75 4.62 4.97 2vniA1 PHE 32 HB2 -0.53 0.14 0.09 -0.04 3.15 2.81 2vniA1 PHE 32 HB3 -0.35 -0.00 -0.14 -0.04 3.06 2.53 2vniA1 PHE 32 HD2 -0.01 -0.03 -0.30 -0.04 7.28 6.91 2vniA1 PHE 32 HE2 -0.06 0.06 -0.23 -0.04 7.38 7.11 2vniA1 PHE 32 HZ -0.03 -0.09 -0.45 -0.04 7.32 6.71 2vniA1 SER 33 H 0.29 0.68 0.43 -0.55 8.46 9.31 2vniA1 SER 33 HA -0.12 0.25 1.10 -0.75 4.49 4.96 2vniA1 SER 33 HB2 0.05 0.09 0.12 -0.04 3.95 4.17 2vniA1 SER 33 HB3 0.08 -0.12 0.02 -0.04 3.93 3.87 2vniA1 PHE 34 H -0.34 0.45 0.36 -0.55 8.34 8.26 2vniA1 PHE 34 HA 0.11 0.16 0.70 -0.75 4.62 4.83 2vniA1 PHE 34 HB2 0.10 0.10 0.15 -0.04 3.15 3.45 2vniA1 PHE 34 HB3 0.16 0.02 -0.08 -0.04 3.06 3.12 2vniA1 PHE 34 HD2 -0.01 0.02 -0.40 -0.04 7.28 6.85 2vniA1 PHE 34 HE2 -0.30 -0.01 -0.23 -0.04 7.38 6.79 2vniA1 PHE 34 HZ -0.59 -0.02 -0.17 -0.04 7.32 6.50 2vniA1 ARG 35 H 0.25 0.47 0.34 -0.55 8.46 8.97 2vniA1 ARG 35 HA 0.07 0.37 1.15 -0.75 4.34 5.18 2vniA1 ARG 35 HB2 0.10 -0.10 0.01 -0.04 1.90 1.87 2vniA1 ARG 35 HB3 0.05 0.07 -0.02 -0.04 1.80 1.86 2vniA1 ARG 35 HG2 0.01 0.03 -0.18 -0.04 1.67 1.49 2vniA1 ARG 35 HG3 0.08 -0.11 -0.37 -0.04 1.67 1.24 2vniA1 ARG 35 HD2 0.06 -0.00 -0.17 -0.04 3.22 3.06 2vniA1 ARG 35 HD3 0.07 -0.02 -0.16 -0.04 3.22 3.08 2vniA1 VAL 36 H 0.12 0.74 0.33 -0.55 8.24 8.88 2vniA1 VAL 36 HA 0.13 0.24 0.97 -0.75 4.13 4.71 2vniA1 VAL 36 HB 0.13 -0.03 -0.19 -0.04 2.12 1.99 2vniA1 VAL 36 HG13 0.34 -0.02 -0.44 -0.04 0.97 0.80 2vniA1 VAL 36 HG23 0.23 0.06 -0.27 -0.04 0.95 0.92 2vniA1 THR 37 H 0.07 0.35 0.25 -0.55 8.28 8.40 2vniA1 THR 37 HA 0.05 0.07 0.52 -0.75 4.39 4.27 2vniA1 THR 37 HB 0.04 0.10 0.07 -0.04 4.32 4.49 2vniA1 THR 37 HG23 0.04 0.04 0.08 -0.04 1.22 1.34 2vniA1 ARG 38 H 0.04 0.26 0.25 -0.55 8.46 8.46 2vniA1 ARG 38 HA 0.05 0.15 0.82 -0.75 4.34 4.61 2vniA1 ARG 38 HB2 0.04 -0.08 -0.16 -0.04 1.90 1.66 2vniA1 ARG 38 HB3 0.05 0.10 -0.02 -0.04 1.80 1.89 2vniA1 ARG 38 HG2 0.05 0.04 -0.05 -0.04 1.67 1.67 2vniA1 ARG 38 HG3 0.05 -0.11 -0.13 -0.04 1.67 1.44 2vniA1 ARG 38 HD2 0.07 -0.00 -0.19 -0.04 3.22 3.06 2vniA1 ARG 38 HD3 0.12 0.11 -0.10 -0.04 3.22 3.31 2vniA1 PRO 39 HA 0.03 0.02 0.47 -0.51 4.44 4.45 2vniA1 PRO 39 HB2 0.03 -0.14 0.11 -0.04 2.28 2.25 2vniA1 PRO 39 HB3 0.03 0.03 0.11 -0.04 2.02 2.15 2vniA1 PRO 39 HG2 0.03 0.03 0.05 -0.04 2.03 2.10 2vniA1 PRO 39 HG3 0.03 0.05 0.01 -0.04 2.03 2.08 2vniA1 PRO 39 HD2 0.04 0.11 0.14 -0.04 3.68 3.93 2vniA1 PRO 39 HD3 0.05 0.21 0.17 -0.04 3.65 4.04 2vniA1 GLN 40 H 0.03 0.09 0.21 -0.55 8.47 8.25 2vniA1 GLN 40 HA 0.04 0.15 0.34 -0.75 4.36 4.14 2vniA1 GLN 40 HB2 0.03 -0.09 0.14 -0.04 2.15 2.18 2vniA1 GLN 40 HB3 0.03 0.03 -0.02 -0.04 2.02 2.02 2vniA1 GLN 40 HG2 0.03 0.01 0.13 -0.04 2.40 2.53 2vniA1 GLN 40 HG3 0.02 -0.03 0.07 -0.04 2.39 2.41 2vniA1 GLN 40 HE21 0.04 -0.00 0.04 -0.04 6.97 7.00 2vniA1 GLN 40 HE22 0.03 0.02 0.05 -0.04 7.69 7.75 2vniA1 THR 41 H 0.03 -0.08 -0.33 -0.55 8.28 7.35 2vniA1 THR 41 HA 0.03 0.15 0.52 -0.75 4.39 4.34 2vniA1 THR 41 HB 0.03 -0.08 0.04 -0.04 4.32 4.27 2vniA1 THR 41 HG23 0.03 0.01 -0.16 -0.04 1.22 1.05 2vniA1 LEU 42 H 0.05 0.06 -0.22 -0.55 8.37 7.71 2vniA1 LEU 42 HA 0.06 -0.01 0.37 -0.75 4.35 4.02 2vniA1 LEU 42 HB2 0.04 -0.13 0.10 -0.04 1.64 1.61 2vniA1 LEU 42 HB3 0.07 0.14 0.05 -0.04 1.64 1.86 2vniA1 LEU 42 HG 0.01 -0.09 -0.10 -0.04 1.64 1.42 2vniA1 LEU 42 HD13 0.10 0.00 -0.41 -0.04 0.93 0.58 2vniA1 LEU 42 HD23 0.03 -0.00 -0.10 -0.04 0.89 0.77 2vniA1 ARG 43 H 0.09 0.17 0.25 -0.55 8.46 8.42 2vniA1 ARG 43 HA 0.10 0.21 0.87 -0.75 4.34 4.77 2vniA1 ARG 43 HB2 0.05 -0.06 0.12 -0.04 1.90 1.97 2vniA1 ARG 43 HB3 0.03 -0.05 0.03 -0.04 1.80 1.77 2vniA1 ARG 43 HG2 0.05 0.34 -0.21 -0.04 1.67 1.81 2vniA1 ARG 43 HG3 0.03 -0.10 -0.00 -0.04 1.67 1.56 2vniA1 ARG 43 HD2 0.02 -0.10 -0.01 -0.04 3.22 3.09 2vniA1 ARG 43 HD3 0.03 0.02 0.06 -0.04 3.22 3.29 2vniA1 PHE 44 H -0.05 0.34 0.16 -0.55 8.34 8.24 2vniA1 PHE 44 HA -0.01 0.11 0.49 -0.75 4.62 4.45 2vniA1 PHE 44 HB2 -0.03 -0.08 0.05 -0.04 3.15 3.05 2vniA1 PHE 44 HB3 -0.02 0.10 -0.32 -0.04 3.06 2.77 2vniA1 PHE 44 HD2 -0.03 0.05 -0.34 -0.04 7.28 6.91 2vniA1 PHE 44 HE2 -0.09 0.06 -0.18 -0.04 7.38 7.13 2vniA1 PHE 44 HZ -0.16 0.23 -0.35 -0.04 7.32 7.00 2vniA1 ARG 45 H 0.15 0.18 0.09 -0.55 8.46 8.33 2vniA1 ARG 45 HA -0.16 0.14 0.89 -0.75 4.34 4.46 2vniA1 ARG 45 HB2 0.05 -0.02 0.06 -0.04 1.90 1.94 2vniA1 ARG 45 HB3 0.02 0.03 0.01 -0.04 1.80 1.81 2vniA1 ARG 45 HG2 -0.01 0.04 -0.02 -0.04 1.67 1.63 2vniA1 ARG 45 HG3 -0.00 -0.01 -0.19 -0.04 1.67 1.43 2vniA1 ARG 45 HD2 0.03 -0.07 -0.03 -0.04 3.22 3.11 2vniA1 ARG 45 HD3 0.02 0.05 -0.05 -0.04 3.22 3.19 2vniA1 SER 46 H -0.14 0.08 0.14 -0.55 8.46 7.99 2vniA1 SER 46 HA 0.11 0.10 0.34 -0.75 4.49 4.30 2vniA1 SER 46 HB2 0.02 -0.00 0.07 -0.04 3.95 4.01 2vniA1 SER 46 HB3 0.01 0.08 -0.24 -0.04 3.93 3.74 2vniA1 GLY 47 H 0.10 0.22 0.19 -0.55 8.43 8.40 2vniA1 GLY 47 HA2 -0.09 0.01 0.45 -0.51 4.01 3.87 2vniA1 GLY 47 HA3 0.00 0.42 0.87 -0.51 4.01 4.79 2vniA1 GLU 48 H 0.17 0.46 -0.05 -0.55 8.60 8.63 2vniA1 GLU 48 HA 0.08 0.01 0.56 -0.75 4.29 4.19 2vniA1 GLU 48 HB2 0.17 -0.03 0.06 -0.04 2.09 2.25 2vniA1 GLU 48 HB3 -0.03 0.05 0.19 -0.04 1.99 2.16 2vniA1 GLU 48 HG2 0.05 -0.05 -0.27 -0.04 2.34 2.03 2vniA1 GLU 48 HG3 0.11 0.22 -0.08 -0.04 2.34 2.55 2vniA1 PHE 49 H -0.14 0.63 0.43 -0.55 8.34 8.71 2vniA1 PHE 49 HA -0.04 0.14 1.07 -0.75 4.62 5.03 2vniA1 PHE 49 HB2 0.02 0.04 -0.45 -0.04 3.15 2.72 2vniA1 PHE 49 HB3 -0.03 -0.03 -0.15 -0.04 3.06 2.81 2vniA1 PHE 49 HD2 0.00 0.03 -0.12 -0.04 7.28 7.15 2vniA1 PHE 49 HE2 0.00 -0.06 -0.10 -0.04 7.38 7.18 2vniA1 PHE 49 HZ 0.00 -0.01 -0.07 -0.04 7.32 7.20 2vniA1 VAL 50 H 0.30 0.71 0.34 -0.55 8.24 9.04 2vniA1 VAL 50 HA -0.05 0.23 0.76 -0.75 4.13 4.32 2vniA1 VAL 50 HB 0.02 0.12 0.08 -0.04 2.12 2.30 2vniA1 VAL 50 HG13 -0.11 -0.01 -0.39 -0.04 0.97 0.42 2vniA1 VAL 50 HG23 0.14 -0.01 -0.23 -0.04 0.95 0.82 2vniA1 MET 51 H 0.06 0.25 0.23 -0.55 8.47 8.46 2vniA1 MET 51 HA 0.15 0.21 0.77 -0.75 4.52 4.90 2vniA1 MET 51 HB2 0.04 -0.04 0.10 -0.04 2.15 2.21 2vniA1 MET 51 HB3 0.06 -0.01 -0.06 -0.04 2.03 1.98 2vniA1 MET 51 HG2 0.09 0.03 0.00 -0.04 2.63 2.70 2vniA1 MET 51 HG3 0.06 0.02 -0.04 -0.04 2.56 2.57 2vniA1 MET 51 HE3 0.07 -0.00 -0.24 -0.04 2.10 1.89 2vniA1 ILE 52 H 0.05 0.60 0.41 -0.55 8.25 8.76 2vniA1 ILE 52 HA -0.08 0.35 0.93 -0.75 4.18 4.63 2vniA1 ILE 52 HB -0.31 0.02 0.10 -0.04 1.89 1.66 2vniA1 ILE 52 HG12 -0.21 0.06 -0.02 -0.04 1.49 1.27 2vniA1 ILE 52 HG13 -0.30 -0.05 -0.29 -0.04 1.21 0.53 2vniA1 ILE 52 HG23 -0.37 -0.01 -0.30 -0.04 0.93 0.21 2vniA1 ILE 52 HD13 -1.33 -0.01 -0.13 -0.04 0.88 -0.64 2vniA1 GLY 53 H -0.10 0.48 0.36 -0.55 8.43 8.62 2vniA1 GLY 53 HA2 -0.06 -0.01 0.50 -0.51 4.01 3.93 2vniA1 GLY 53 HA3 -0.03 0.20 0.61 -0.51 4.01 4.28 2vniA1 LEU 54 H -0.03 0.46 0.38 -0.55 8.37 8.64 2vniA1 LEU 54 HA -0.04 0.14 0.78 -0.75 4.35 4.47 2vniA1 LEU 54 HB2 -0.03 -0.02 0.03 -0.04 1.64 1.58 2vniA1 LEU 54 HB3 -0.03 0.07 0.15 -0.04 1.64 1.79 2vniA1 LEU 54 HG -0.08 -0.11 -0.30 -0.04 1.64 1.11 2vniA1 LEU 54 HD13 -0.05 0.00 -0.10 -0.04 0.93 0.74 2vniA1 LEU 54 HD23 -0.09 0.03 0.14 -0.04 0.89 0.94 2vniA1 LEU 55 H -0.02 0.19 0.14 -0.55 8.37 8.13 2vniA1 LEU 55 HA -0.01 0.12 0.52 -0.75 4.35 4.23 2vniA1 LEU 55 HB2 -0.01 0.05 0.03 -0.04 1.64 1.66 2vniA1 LEU 55 HB3 -0.01 -0.07 -0.20 -0.04 1.64 1.32 2vniA1 LEU 55 HG -0.02 -0.07 -0.09 -0.04 1.64 1.42 2vniA1 LEU 55 HD13 -0.01 0.02 -0.05 -0.04 0.93 0.85 2vniA1 LEU 55 HD23 -0.01 0.04 -0.30 -0.04 0.89 0.58 2vniA1 ASP 56 H -0.01 0.52 0.09 -0.55 8.40 8.46 2vniA1 ASP 56 HA -0.00 0.17 0.53 -0.75 4.63 4.57 2vniA1 ASP 56 HB2 -0.00 -0.16 0.25 -0.04 2.71 2.75 2vniA1 ASP 56 HB3 -0.00 0.11 0.12 -0.04 2.70 2.88 2vniA1 ASP 57 H -0.00 0.13 0.16 -0.55 8.40 8.14 2vniA1 ASP 57 HA -0.01 0.22 0.55 -0.75 4.63 4.64 2vniA1 ASP 57 HB2 -0.00 -0.04 0.12 -0.04 2.71 2.75 2vniA1 ASP 57 HB3 -0.01 0.06 0.06 -0.04 2.70 2.77 2vniA1 ASN 58 H -0.00 0.03 -0.02 -0.55 8.53 7.99 2vniA1 ASN 58 HA -0.00 0.18 0.48 -0.75 4.76 4.66 2vniA1 ASN 58 HB2 -0.00 -0.04 -0.02 -0.04 2.88 2.78 2vniA1 ASN 58 HB3 -0.00 0.07 0.12 -0.04 2.79 2.94 2vniA1 ASN 58 HD21 -0.00 0.02 0.03 -0.04 7.03 7.04 2vniA1 ASN 58 HD22 -0.00 0.02 0.02 -0.04 7.74 7.73 2vniA1 GLY 59 H -0.01 0.14 -1.01 -0.55 8.43 7.01 2vniA1 GLY 59 HA2 -0.01 0.08 0.11 -0.51 4.01 3.69 2vniA1 GLY 59 HA3 -0.00 0.15 0.44 -0.51 4.01 4.08 2vniA1 LYS 60 H -0.00 -0.09 -0.24 -0.55 8.42 7.53 2vniA1 LYS 60 HA -0.00 0.27 0.73 -0.75 4.32 4.57 2vniA1 LYS 60 HB2 -0.00 0.01 -0.06 -0.04 1.87 1.78 2vniA1 LYS 60 HB3 -0.00 -0.11 0.04 -0.04 1.79 1.67 2vniA1 LYS 60 HG2 0.00 0.16 -0.10 -0.04 1.46 1.48 2vniA1 LYS 60 HG3 0.00 0.04 0.03 -0.04 1.46 1.49 2vniA1 LYS 60 HD2 0.00 0.01 -0.01 -0.04 1.69 1.65 2vniA1 LYS 60 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2vniA1 LYS 60 HE2 0.00 -0.10 -0.02 -0.04 2.99 2.83 2vniA1 LYS 60 HE3 0.00 0.07 -0.04 -0.04 2.99 2.98 2vniA1 PRO 61 HA -0.01 0.14 0.38 -0.51 4.44 4.45 2vniA1 PRO 61 HB2 0.00 -0.02 -0.05 -0.04 2.28 2.16 2vniA1 PRO 61 HB3 -0.00 0.02 -0.10 -0.04 2.02 1.90 2vniA1 PRO 61 HG2 -0.00 0.05 0.02 -0.04 2.03 2.05 2vniA1 PRO 61 HG3 -0.00 0.08 -0.02 -0.04 2.03 2.05 2vniA1 PRO 61 HD2 0.00 0.07 0.16 -0.04 3.68 3.88 2vniA1 PRO 61 HD3 -0.00 0.26 0.29 -0.04 3.65 4.15 2vniA1 ILE 62 H -0.01 0.76 0.31 -0.55 8.25 8.76 2vniA1 ILE 62 HA 0.01 0.12 0.82 -0.75 4.18 4.37 2vniA1 ILE 62 HB -0.00 -0.05 0.20 -0.04 1.89 2.00 2vniA1 ILE 62 HG12 0.00 0.02 -0.08 -0.04 1.49 1.39 2vniA1 ILE 62 HG13 -0.00 0.10 -0.13 -0.04 1.21 1.14 2vniA1 ILE 62 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.71 2vniA1 ILE 62 HD13 0.00 -0.03 -0.10 -0.04 0.88 0.71 2vniA1 MET 63 H 0.02 0.20 0.05 -0.55 8.47 8.19 2vniA1 MET 63 HA 0.02 0.33 1.01 -0.75 4.52 5.12 2vniA1 MET 63 HB2 0.03 -0.02 -0.04 -0.04 2.15 2.07 2vniA1 MET 63 HB3 0.03 0.01 -0.10 -0.04 2.03 1.93 2vniA1 MET 63 HG2 0.01 -0.04 -0.33 -0.04 2.63 2.23 2vniA1 MET 63 HG3 0.01 0.03 -0.18 -0.04 2.56 2.39 2vniA1 MET 63 HE3 0.00 0.01 -0.42 -0.04 2.10 1.65 2vniA1 ARG 64 H 0.07 0.76 0.42 -0.55 8.46 9.15 2vniA1 ARG 64 HA 0.06 0.08 0.82 -0.75 4.34 4.54 2vniA1 ARG 64 HB2 0.23 0.03 0.02 -0.04 1.90 2.14 2vniA1 ARG 64 HB3 0.07 0.05 0.07 -0.04 1.80 1.95 2vniA1 ARG 64 HG2 0.06 -0.00 -0.59 -0.04 1.67 1.09 2vniA1 ARG 64 HG3 0.08 -0.13 -0.06 -0.04 1.67 1.51 2vniA1 ARG 64 HD2 0.01 -0.05 0.10 -0.04 3.22 3.23 2vniA1 ARG 64 HD3 0.03 0.17 0.22 -0.04 3.22 3.59 2vniA1 ALA 65 H 0.01 0.06 0.17 -0.55 8.40 8.10 2vniA1 ALA 65 HA 0.21 0.17 0.53 -0.75 4.34 4.49 2vniA1 ALA 65 HB3 -0.22 -0.01 0.03 -0.04 1.41 1.17 2vniA1 TYR 66 H 0.31 0.68 0.36 -0.55 8.29 9.09 2vniA1 TYR 66 HA -0.01 0.06 0.79 -0.75 4.56 4.65 2vniA1 TYR 66 HB2 -0.03 0.04 0.01 -0.04 3.06 3.03 2vniA1 TYR 66 HB3 0.22 0.09 -0.06 -0.04 2.98 3.18 2vniA1 TYR 66 HD2 -0.00 0.06 -0.21 -0.04 7.15 6.95 2vniA1 TYR 66 HE2 -0.09 -0.06 -0.07 -0.04 6.85 6.59 2vniA1 SER 67 H 0.00 0.11 0.14 -0.55 8.46 8.16 2vniA1 SER 67 HA 0.15 0.08 0.48 -0.75 4.49 4.44 2vniA1 SER 67 HB2 -0.04 -0.10 -0.04 -0.04 3.95 3.73 2vniA1 SER 67 HB3 -0.07 0.13 -0.18 -0.04 3.93 3.76 2vniA1 ILE 68 H -0.06 0.62 0.28 -0.55 8.25 8.54 2vniA1 ILE 68 HA -0.54 0.12 0.71 -0.75 4.18 3.72 2vniA1 ILE 68 HB -0.39 0.05 0.15 -0.04 1.89 1.65 2vniA1 ILE 68 HG12 -0.40 -0.00 -0.07 -0.04 1.49 0.97 2vniA1 ILE 68 HG13 -0.22 -0.04 -0.06 -0.04 1.21 0.84 2vniA1 ILE 68 HG23 -0.46 0.03 -0.08 -0.04 0.93 0.38 2vniA1 ILE 68 HD13 -1.08 0.00 -0.18 -0.04 0.88 -0.42 2vniA1 ALA 69 H -0.42 0.42 0.19 -0.55 8.40 8.04 2vniA1 ALA 69 HA -0.11 0.29 0.33 -0.75 4.34 4.10 2vniA1 ALA 69 HB3 -0.08 -0.07 -0.20 -0.04 1.41 1.02 2vniA1 SER 70 H -0.25 0.05 -0.31 -0.55 8.46 7.40 2vniA1 SER 70 HA -0.16 0.23 0.75 -0.75 4.49 4.56 2vniA1 SER 70 HB2 -0.24 0.16 0.04 -0.04 3.95 3.87 2vniA1 SER 70 HB3 -0.19 -0.09 -0.05 -0.04 3.93 3.57 2vniA1 PRO 71 HA -0.13 0.01 0.41 -0.51 4.44 4.22 2vniA1 PRO 71 HB2 -0.54 -0.12 0.02 -0.04 2.28 1.59 2vniA1 PRO 71 HB3 -0.10 0.22 -0.10 -0.04 2.02 1.99 2vniA1 PRO 71 HG2 -1.43 -0.14 0.07 -0.04 2.03 0.49 2vniA1 PRO 71 HG3 -0.61 0.14 0.08 -0.04 2.03 1.60 2vniA1 PRO 71 HD2 -0.37 0.04 0.21 -0.04 3.68 3.51 2vniA1 PRO 71 HD3 -0.20 0.27 0.19 -0.04 3.65 3.88 2vniA1 ALA 72 H -0.25 0.05 0.14 -0.55 8.40 7.79 2vniA1 ALA 72 HA -1.02 0.14 0.27 -0.75 4.34 2.98 2vniA1 ALA 72 HB3 -0.40 -0.03 0.14 -0.04 1.41 1.08 2vniA1 TRP 73 H -0.22 -0.01 -0.31 -0.55 7.97 6.89 2vniA1 TRP 73 HA -0.05 0.19 0.57 -0.75 4.62 4.57 2vniA1 TRP 73 HB2 -0.02 0.00 0.08 -0.04 3.23 3.26 2vniA1 TRP 73 HB3 -0.04 -0.04 0.05 -0.04 3.23 3.16 2vniA1 TRP 73 HD1 -0.01 -0.11 0.10 -0.04 7.22 7.16 2vniA1 TRP 73 HE1 0.02 0.52 0.19 -0.04 10.20 10.88 2vniA1 TRP 73 HE3 0.00 -0.01 -0.35 -0.04 7.59 7.18 2vniA1 TRP 73 HZ2 0.01 0.05 0.02 -0.04 7.44 7.48 2vniA1 TRP 73 HZ3 0.01 -0.06 -0.04 -0.04 7.13 7.00 2vniA1 TRP 73 HH2 0.01 -0.02 -0.02 -0.04 7.19 7.12 2vniA1 ASP 74 H -0.73 0.33 -0.33 -0.55 8.40 7.13 2vniA1 ASP 74 HA -0.37 -0.05 0.49 -0.75 4.63 3.94 2vniA1 ASP 74 HB2 -1.05 -0.06 0.09 -0.04 2.71 1.64 2vniA1 ASP 74 HB3 -0.37 0.20 0.10 -0.04 2.70 2.59 2vniA1 GLU 75 H 0.07 0.09 0.20 -0.55 8.60 8.40 2vniA1 GLU 75 HA 0.05 0.15 0.32 -0.75 4.29 4.05 2vniA1 GLU 75 HB2 0.07 -0.07 0.10 -0.04 2.09 2.16 2vniA1 GLU 75 HB3 0.05 -0.04 0.08 -0.04 1.99 2.05 2vniA1 GLU 75 HG2 0.08 0.06 0.06 -0.04 2.34 2.50 2vniA1 GLU 75 HG3 0.14 0.07 0.11 -0.04 2.34 2.61 2vniA1 GLU 76 H -0.05 0.02 -0.49 -0.55 8.60 7.53 2vniA1 GLU 76 HA 0.01 0.13 0.89 -0.75 4.29 4.57 2vniA1 GLU 76 HB2 -0.01 -0.07 -0.08 -0.04 2.09 1.89 2vniA1 GLU 76 HB3 0.00 0.03 -0.11 -0.04 1.99 1.86 2vniA1 GLU 76 HG2 0.03 0.03 -0.06 -0.04 2.34 2.30 2vniA1 GLU 76 HG3 0.03 -0.03 -0.20 -0.04 2.34 2.10 2vniA1 LEU 77 H 0.00 0.66 0.20 -0.55 8.37 8.68 2vniA1 LEU 77 HA -0.17 0.20 0.80 -0.75 4.35 4.42 2vniA1 LEU 77 HB2 0.06 -0.03 -0.04 -0.04 1.64 1.59 2vniA1 LEU 77 HB3 -0.29 -0.01 -0.09 -0.04 1.64 1.21 2vniA1 LEU 77 HG 0.01 -0.00 -0.23 -0.04 1.64 1.38 2vniA1 LEU 77 HD13 0.06 -0.00 -0.13 -0.04 0.93 0.82 2vniA1 LEU 77 HD23 -0.10 0.05 -0.19 -0.04 0.89 0.60 2vniA1 GLU 78 H -0.40 0.14 0.15 -0.55 8.60 7.94 2vniA1 GLU 78 HA -0.19 0.33 1.05 -0.75 4.29 4.72 2vniA1 GLU 78 HB2 -0.11 0.03 -0.19 -0.04 2.09 1.78 2vniA1 GLU 78 HB3 -0.19 -0.04 -0.21 -0.04 1.99 1.51 2vniA1 GLU 78 HG2 -0.07 -0.08 -0.30 -0.04 2.34 1.84 2vniA1 GLU 78 HG3 -0.07 0.07 -0.01 -0.04 2.34 2.29 2vniA1 PHE 79 H -0.35 0.54 0.33 -0.55 8.34 8.31 2vniA1 PHE 79 HA -0.21 0.09 0.81 -0.75 4.62 4.56 2vniA1 PHE 79 HB2 -1.57 -0.01 -0.03 -0.04 3.15 1.50 2vniA1 PHE 79 HB3 -0.48 0.01 -0.06 -0.04 3.06 2.49 2vniA1 PHE 79 HD2 -0.21 0.05 -0.21 -0.04 7.28 6.87 2vniA1 PHE 79 HE2 -0.04 0.03 -0.27 -0.04 7.38 7.07 2vniA1 PHE 79 HZ -0.09 0.00 -0.19 -0.04 7.32 6.99 2vniA1 TYR 80 H 0.06 0.28 0.20 -0.55 8.29 8.28 2vniA1 TYR 80 HA -0.42 0.16 0.93 -0.75 4.56 4.48 2vniA1 TYR 80 HB2 -0.46 0.03 -0.01 -0.04 3.06 2.58 2vniA1 TYR 80 HB3 -0.20 -0.01 0.19 -0.04 2.98 2.92 2vniA1 TYR 80 HD2 -0.43 0.04 -0.01 -0.04 7.15 6.71 2vniA1 TYR 80 HE2 -0.28 0.01 -0.14 -0.04 6.85 6.40 2vniA1 SER 81 H -0.49 0.81 0.40 -0.55 8.46 8.64 2vniA1 SER 81 HA -0.14 0.14 1.20 -0.75 4.49 4.93 2vniA1 SER 81 HB2 -0.03 -0.02 -0.21 -0.04 3.95 3.65 2vniA1 SER 81 HB3 -1.12 0.07 -0.02 -0.04 3.93 2.83 2vniA1 ILE 82 H -0.10 0.10 0.23 -0.55 8.25 7.92 2vniA1 ILE 82 HA -0.10 0.25 0.77 -0.75 4.18 4.34 2vniA1 ILE 82 HB -0.15 -0.06 0.14 -0.04 1.89 1.78 2vniA1 ILE 82 HG12 -0.17 -0.09 0.01 -0.04 1.49 1.20 2vniA1 ILE 82 HG13 -0.07 0.02 -0.01 -0.04 1.21 1.11 2vniA1 ILE 82 HG23 -0.08 -0.02 -0.10 -0.04 0.93 0.70 2vniA1 ILE 82 HD13 -0.10 0.07 0.13 -0.04 0.88 0.93 2vniA1 LYS 83 H 0.01 0.31 0.23 -0.55 8.42 8.42 2vniA1 LYS 83 HA 0.11 0.12 0.76 -0.75 4.32 4.55 2vniA1 LYS 83 HB2 0.05 -0.07 0.23 -0.04 1.87 2.03 2vniA1 LYS 83 HB3 0.01 0.05 -0.03 -0.04 1.79 1.78 2vniA1 LYS 83 HG2 0.13 0.07 -0.20 -0.04 1.46 1.41 2vniA1 LYS 83 HG3 0.32 -0.01 -0.67 -0.04 1.46 1.06 2vniA1 LYS 83 HD2 0.10 -0.09 -0.54 -0.04 1.69 1.11 2vniA1 LYS 83 HD3 -0.00 0.06 -0.15 -0.04 1.68 1.54 2vniA1 LYS 83 HE2 -0.15 0.09 -0.19 -0.04 2.99 2.69 2vniA1 LYS 83 HE3 0.32 -0.13 -0.53 -0.04 2.99 2.61 2vniA1 VAL 84 H 0.01 0.10 -0.11 -0.55 8.24 7.69 2vniA1 VAL 84 HA -0.03 0.27 0.95 -0.75 4.13 4.56 2vniA1 VAL 84 HB -0.02 -0.14 0.17 -0.04 2.12 2.09 2vniA1 VAL 84 HG13 -0.04 0.03 -0.12 -0.04 0.97 0.80 2vniA1 VAL 84 HG23 -0.07 -0.01 -0.11 -0.04 0.95 0.72 2vniA1 PRO 85 HA -0.02 0.01 0.48 -0.51 4.44 4.40 2vniA1 PRO 85 HB2 -0.01 0.02 0.08 -0.04 2.28 2.33 2vniA1 PRO 85 HB3 -0.01 0.07 0.08 -0.04 2.02 2.12 2vniA1 PRO 85 HG2 -0.01 0.07 0.06 -0.04 2.03 2.10 2vniA1 PRO 85 HG3 -0.03 0.08 -0.01 -0.04 2.03 2.03 2vniA1 PRO 85 HD2 -0.02 0.09 0.16 -0.04 3.68 3.87 2vniA1 PRO 85 HD3 -0.02 0.22 -0.39 -0.04 3.65 3.41 2vniA1 ASP 86 H -0.01 0.15 0.18 -0.55 8.40 8.17 2vniA1 ASP 86 HA -0.00 0.02 0.29 -0.75 4.63 4.18 2vniA1 ASP 86 HB2 -0.01 0.39 0.53 -0.04 2.71 3.58 2vniA1 ASP 86 HB3 -0.01 -0.06 0.16 -0.04 2.70 2.75 2vniA1 GLY 87 H -0.01 0.67 -0.06 -0.55 8.43 8.49 2vniA1 GLY 87 HA2 -0.01 0.16 0.68 -0.51 4.01 4.33 2vniA1 GLY 87 HA3 -0.01 -0.07 0.35 -0.51 4.01 3.77 2vniA1 PRO 88 HA 0.00 0.08 0.33 -0.51 4.44 4.34 2vniA1 PRO 88 HB2 0.01 -0.04 0.10 -0.04 2.28 2.31 2vniA1 PRO 88 HB3 0.01 0.06 0.08 -0.04 2.02 2.13 2vniA1 PRO 88 HG2 0.00 0.05 0.12 -0.04 2.03 2.16 2vniA1 PRO 88 HG3 0.00 0.09 0.12 -0.04 2.03 2.20 2vniA1 PRO 88 HD2 0.00 0.02 0.23 -0.04 3.68 3.89 2vniA1 PRO 88 HD3 -0.00 0.38 0.37 -0.04 3.65 4.35 2vniA1 LEU 89 H 0.02 0.05 -0.22 -0.55 8.37 7.67 2vniA1 LEU 89 HA 0.01 0.24 0.75 -0.75 4.35 4.59 2vniA1 LEU 89 HB2 0.04 0.07 -0.04 -0.04 1.64 1.66 2vniA1 LEU 89 HB3 0.06 -0.07 0.07 -0.04 1.64 1.66 2vniA1 LEU 89 HG 0.06 -0.04 -0.35 -0.04 1.64 1.26 2vniA1 LEU 89 HD13 -0.02 0.05 0.05 -0.04 0.93 0.97 2vniA1 LEU 89 HD23 0.11 0.02 -0.09 -0.04 0.89 0.89 2vniA1 THR 90 H 0.04 0.08 0.00 -0.55 8.28 7.85 2vniA1 THR 90 HA 0.07 0.08 0.44 -0.75 4.39 4.22 2vniA1 THR 90 HB 0.12 0.12 0.15 -0.04 4.32 4.67 2vniA1 THR 90 HG23 0.15 0.02 -0.01 -0.04 1.22 1.34 2vniA1 SER 91 H -0.01 0.58 -0.31 -0.55 8.46 8.18 2vniA1 SER 91 HA -0.07 0.01 0.35 -0.75 4.49 4.03 2vniA1 SER 91 HB2 0.00 -0.02 0.04 -0.04 3.95 3.94 2vniA1 SER 91 HB3 -0.01 -0.16 0.09 -0.04 3.93 3.81 2vniA1 ARG 92 H -0.02 0.24 -0.39 -0.55 8.46 7.74 2vniA1 ARG 92 HA 0.07 0.14 0.65 -0.75 4.34 4.45 2vniA1 ARG 92 HB2 -0.01 0.14 0.21 -0.04 1.90 2.21 2vniA1 ARG 92 HB3 0.00 -0.01 -0.02 -0.04 1.80 1.73 2vniA1 ARG 92 HG2 0.03 -0.02 -0.03 -0.04 1.67 1.61 2vniA1 ARG 92 HG3 0.01 0.01 -0.01 -0.04 1.67 1.63 2vniA1 ARG 92 HD2 -0.00 0.04 0.00 -0.04 3.22 3.22 2vniA1 ARG 92 HD3 -0.00 0.04 -0.02 -0.04 3.22 3.20 2vniA1 LEU 93 H -0.02 0.70 0.22 -0.55 8.37 8.72 2vniA1 LEU 93 HA -0.07 0.05 0.28 -0.75 4.35 3.85 2vniA1 LEU 93 HB2 -0.01 0.02 -0.03 -0.04 1.64 1.59 2vniA1 LEU 93 HB3 0.12 -0.07 -0.05 -0.04 1.64 1.59 2vniA1 LEU 93 HG 0.26 0.04 -0.21 -0.04 1.64 1.68 2vniA1 LEU 93 HD13 -0.30 -0.00 -0.06 -0.04 0.93 0.53 2vniA1 LEU 93 HD23 -0.01 -0.01 -0.15 -0.04 0.89 0.68 2vniA1 GLN 94 H -0.18 0.39 -0.45 -0.55 8.47 7.68 2vniA1 GLN 94 HA -1.15 0.02 0.30 -0.75 4.36 2.78 2vniA1 GLN 94 HB2 -0.40 -0.04 -0.03 -0.04 2.15 1.64 2vniA1 GLN 94 HB3 -0.25 -0.07 0.02 -0.04 2.02 1.68 2vniA1 GLN 94 HG2 -0.40 0.22 -0.15 -0.04 2.40 2.04 2vniA1 GLN 94 HG3 -1.10 0.04 -0.25 -0.04 2.39 1.05 2vniA1 GLN 94 HE21 -0.11 -0.11 -0.02 -0.04 6.97 6.70 2vniA1 GLN 94 HE22 -0.24 0.20 0.11 -0.04 7.69 7.72 2vniA1 HIS 95 H -0.25 0.52 -0.44 -0.55 8.41 7.69 2vniA1 HIS 95 HA -0.13 0.10 0.60 -0.75 4.63 4.45 2vniA1 HIS 95 HB2 -0.08 0.14 0.06 -0.04 3.26 3.34 2vniA1 HIS 95 HB3 -0.08 -0.08 0.05 -0.04 3.20 3.06 2vniA1 HIS 95 HD2 -0.05 -0.02 0.13 -0.04 6.97 6.98 2vniA1 HIS 95 HE1 -0.07 -0.06 -0.04 -0.04 7.75 7.53 2vniA1 ILE 96 H -0.11 0.29 -0.31 -0.55 8.25 7.57 2vniA1 ILE 96 HA -0.06 -0.07 0.27 -0.75 4.18 3.57 2vniA1 ILE 96 HB -0.17 0.01 0.09 -0.04 1.89 1.78 2vniA1 ILE 96 HG12 -0.29 -0.05 -0.17 -0.04 1.49 0.94 2vniA1 ILE 96 HG13 -0.13 0.06 -0.12 -0.04 1.21 0.98 2vniA1 ILE 96 HG23 -0.28 -0.00 -0.19 -0.04 0.93 0.42 2vniA1 ILE 96 HD13 -0.11 -0.00 -0.04 -0.04 0.88 0.68 2vniA1 LYS 97 H -0.04 0.06 0.15 -0.55 8.42 8.04 2vniA1 LYS 97 HA -0.00 0.21 0.90 -0.75 4.32 4.67 2vniA1 LYS 97 HB2 -0.02 -0.03 -0.00 -0.04 1.87 1.77 2vniA1 LYS 97 HB3 -0.01 -0.02 0.10 -0.04 1.79 1.82 2vniA1 LYS 97 HG2 -0.02 0.05 -0.05 -0.04 1.46 1.40 2vniA1 LYS 97 HG3 -0.02 -0.05 -0.01 -0.04 1.46 1.33 2vniA1 LYS 97 HD2 -0.01 -0.11 0.00 -0.04 1.69 1.53 2vniA1 LYS 97 HD3 -0.01 0.28 -0.37 -0.04 1.68 1.54 2vniA1 LYS 97 HE2 -0.03 -0.04 -0.03 -0.04 2.99 2.85 2vniA1 LYS 97 HE3 -0.02 0.07 0.00 -0.04 2.99 3.00 2vniA1 VAL 98 H 0.01 0.12 0.08 -0.55 8.24 7.91 2vniA1 VAL 98 HA 0.02 0.04 0.28 -0.75 4.13 3.73 2vniA1 VAL 98 HB 0.02 -0.02 0.09 -0.04 2.12 2.16 2vniA1 VAL 98 HG13 0.03 0.03 -0.16 -0.04 0.97 0.83 2vniA1 VAL 98 HG23 0.04 -0.01 -0.16 -0.04 0.95 0.78 2vniA1 GLY 99 H 0.02 0.57 0.32 -0.55 8.43 8.78 2vniA1 GLY 99 HA2 0.01 -0.02 0.40 -0.51 4.01 3.90 2vniA1 GLY 99 HA3 0.00 0.12 0.75 -0.51 4.01 4.37 2vniA1 GLU 100 H -0.01 0.45 -0.26 -0.55 8.60 8.23 2vniA1 GLU 100 HA -0.02 0.11 0.65 -0.75 4.29 4.28 2vniA1 GLU 100 HB2 -0.04 0.08 0.13 -0.04 2.09 2.22 2vniA1 GLU 100 HB3 -0.04 -0.03 0.18 -0.04 1.99 2.06 2vniA1 GLU 100 HG2 -0.02 0.02 -0.02 -0.04 2.34 2.27 2vniA1 GLU 100 HG3 -0.02 0.05 -0.12 -0.04 2.34 2.21 2vniA1 GLN 101 H -0.03 0.14 0.20 -0.55 8.47 8.23 2vniA1 GLN 101 HA -0.02 0.21 1.20 -0.75 4.36 4.99 2vniA1 GLN 101 HB2 -0.02 -0.08 -0.01 -0.04 2.15 2.00 2vniA1 GLN 101 HB3 -0.01 0.07 0.04 -0.04 2.02 2.08 2vniA1 GLN 101 HG2 0.00 0.02 -0.37 -0.04 2.40 2.01 2vniA1 GLN 101 HG3 -0.01 -0.03 -0.31 -0.04 2.39 2.00 2vniA1 GLN 101 HE21 0.01 0.01 -0.14 -0.04 6.97 6.80 2vniA1 GLN 101 HE22 0.01 -0.06 -0.31 -0.04 7.69 7.29 2vniA1 ILE 102 H -0.03 0.51 0.32 -0.55 8.25 8.50 2vniA1 ILE 102 HA -0.08 0.20 1.00 -0.75 4.18 4.55 2vniA1 ILE 102 HB -0.14 0.03 0.11 -0.04 1.89 1.85 2vniA1 ILE 102 HG12 -0.01 0.00 -0.10 -0.04 1.49 1.34 2vniA1 ILE 102 HG13 -0.04 -0.04 -0.32 -0.04 1.21 0.77 2vniA1 ILE 102 HG23 -0.21 -0.01 -0.22 -0.04 0.93 0.45 2vniA1 ILE 102 HD13 -0.06 -0.00 -0.19 -0.04 0.88 0.59 2vniA1 ILE 103 H -0.06 0.67 0.30 -0.55 8.25 8.61 2vniA1 ILE 103 HA -0.02 0.30 0.72 -0.75 4.18 4.42 2vniA1 ILE 103 HB -0.03 -0.15 -0.09 -0.04 1.89 1.58 2vniA1 ILE 103 HG12 -0.02 0.08 -0.14 -0.04 1.49 1.37 2vniA1 ILE 103 HG13 -0.03 -0.01 -0.12 -0.04 1.21 1.01 2vniA1 ILE 103 HG23 -0.01 0.01 -0.26 -0.04 0.93 0.63 2vniA1 ILE 103 HD13 -0.02 -0.02 -0.32 -0.04 0.88 0.48 2vniA1 LEU 104 H -0.01 0.79 0.24 -0.55 8.37 8.83 2vniA1 LEU 104 HA -0.03 0.23 0.97 -0.75 4.35 4.77 2vniA1 LEU 104 HB2 -0.01 0.01 -0.22 -0.04 1.64 1.38 2vniA1 LEU 104 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.54 2vniA1 LEU 104 HG 0.02 -0.02 -0.51 -0.04 1.64 1.09 2vniA1 LEU 104 HD13 0.09 0.01 -0.18 -0.04 0.93 0.82 2vniA1 LEU 104 HD23 0.04 -0.00 -0.11 -0.04 0.89 0.78 2vniA1 ARG 105 H 0.00 0.68 0.20 -0.55 8.46 8.79 2vniA1 ARG 105 HA 0.00 0.10 0.72 -0.75 4.34 4.41 2vniA1 ARG 105 HB2 0.01 -0.01 0.05 -0.04 1.90 1.91 2vniA1 ARG 105 HB3 0.01 -0.09 0.30 -0.04 1.80 1.98 2vniA1 ARG 105 HG2 -0.00 -0.02 -0.05 -0.04 1.67 1.56 2vniA1 ARG 105 HG3 0.00 0.06 -0.00 -0.04 1.67 1.69 2vniA1 ARG 105 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.18 2vniA1 ARG 105 HD3 0.02 -0.06 0.04 -0.04 3.22 3.17 2vniA1 PRO 106 HA -0.00 0.08 0.30 -0.51 4.44 4.31 2vniA1 PRO 106 HB2 0.02 0.02 0.19 -0.04 2.28 2.47 2vniA1 PRO 106 HB3 0.02 0.01 0.09 -0.04 2.02 2.09 2vniA1 PRO 106 HG2 0.01 0.05 0.02 -0.04 2.03 2.08 2vniA1 PRO 106 HG3 0.01 0.00 0.09 -0.04 2.03 2.09 2vniA1 PRO 106 HD2 0.01 0.05 0.24 -0.04 3.68 3.93 2vniA1 PRO 106 HD3 0.01 0.29 0.28 -0.04 3.65 4.19 2vniA1 LYS 107 H -0.02 0.75 0.12 -0.55 8.42 8.72 2vniA1 LYS 107 HA -0.02 0.22 0.88 -0.75 4.32 4.65 2vniA1 LYS 107 HB2 -0.03 -0.08 0.07 -0.04 1.87 1.80 2vniA1 LYS 107 HB3 -0.03 0.02 0.04 -0.04 1.79 1.78 2vniA1 LYS 107 HG2 -0.01 0.10 -0.05 -0.04 1.46 1.46 2vniA1 LYS 107 HG3 -0.00 -0.09 -0.55 -0.04 1.46 0.78 2vniA1 LYS 107 HD2 -0.00 -0.06 -0.08 -0.04 1.69 1.51 2vniA1 LYS 107 HD3 -0.01 -0.00 -0.04 -0.04 1.68 1.59 2vniA1 LYS 107 HE2 0.00 0.04 -0.04 -0.04 2.99 2.95 2vniA1 LYS 107 HE3 0.00 -0.01 -0.07 -0.04 2.99 2.87 2vniA1 PRO 108 HA -0.18 0.34 0.70 -0.51 4.44 4.79 2vniA1 PRO 108 HB2 0.02 -0.06 0.05 -0.04 2.28 2.24 2vniA1 PRO 108 HB3 -0.05 -0.00 0.00 -0.04 2.02 1.93 2vniA1 PRO 108 HG2 0.02 -0.04 0.15 -0.04 2.03 2.13 2vniA1 PRO 108 HG3 0.12 0.34 0.23 -0.04 2.03 2.68 2vniA1 PRO 108 HD2 0.00 0.11 0.23 -0.04 3.68 3.98 2vniA1 PRO 108 HD3 0.00 0.10 -0.10 -0.04 3.65 3.60 2vniA1 VAL 109 H -0.43 0.47 0.45 -0.55 8.24 8.18 2vniA1 VAL 109 HA -0.15 0.15 0.58 -0.75 4.13 3.96 2vniA1 VAL 109 HB -0.22 -0.17 0.17 -0.04 2.12 1.85 2vniA1 VAL 109 HG13 -0.12 0.04 -0.10 -0.04 0.97 0.75 2vniA1 VAL 109 HG23 -0.93 0.01 -0.09 -0.04 0.95 -0.10 2vniA1 GLY 110 H -0.06 0.17 0.15 -0.55 8.43 8.13 2vniA1 GLY 110 HA2 0.30 -0.01 0.38 -0.51 4.01 4.17 2vniA1 GLY 110 HA3 0.15 0.20 0.95 -0.51 4.01 4.81 2vniA1 THR 111 H 0.13 0.14 0.15 -0.55 8.28 8.15 2vniA1 THR 111 HA 0.07 0.20 0.84 -0.75 4.39 4.74 2vniA1 THR 111 HB 0.08 0.02 0.18 -0.04 4.32 4.56 2vniA1 THR 111 HG23 0.07 -0.02 0.05 -0.04 1.22 1.28 2vniA1 LEU 112 H 0.08 0.05 -0.18 -0.55 8.37 7.78 2vniA1 LEU 112 HA 0.11 0.21 0.56 -0.75 4.35 4.48 2vniA1 LEU 112 HB2 -0.01 0.18 0.10 -0.04 1.64 1.87 2vniA1 LEU 112 HB3 0.02 0.03 0.05 -0.04 1.64 1.71 2vniA1 LEU 112 HG 0.04 -0.17 -0.13 -0.04 1.64 1.34 2vniA1 LEU 112 HD13 -0.20 0.02 -0.08 -0.04 0.93 0.63 2vniA1 LEU 112 HD23 0.16 0.03 -0.27 -0.04 0.89 0.77 2vniA1 VAL 113 H 0.09 0.36 -0.45 -0.55 8.24 7.69 2vniA1 VAL 113 HA 0.08 0.32 0.82 -0.75 4.13 4.59 2vniA1 VAL 113 HB 0.06 -0.11 -0.08 -0.04 2.12 1.95 2vniA1 VAL 113 HG13 0.06 0.01 -0.32 -0.04 0.97 0.68 2vniA1 VAL 113 HG23 0.06 -0.02 -0.16 -0.04 0.95 0.79 2vniA1 ILE 114 H 0.10 0.20 0.06 -0.55 8.25 8.07 2vniA1 ILE 114 HA 0.18 0.14 0.27 -0.75 4.18 4.01 2vniA1 ILE 114 HB 0.11 -0.07 -0.01 -0.04 1.89 1.88 2vniA1 ILE 114 HG12 0.13 -0.02 0.05 -0.04 1.49 1.61 2vniA1 ILE 114 HG13 0.14 -0.06 -0.07 -0.04 1.21 1.19 2vniA1 ILE 114 HG23 0.25 0.04 -0.16 -0.04 0.93 1.02 2vniA1 ILE 114 HD13 0.23 0.03 -0.11 -0.04 0.88 0.99 2vniA1 ASP 115 H 0.07 -0.01 -0.31 -0.55 8.40 7.61 2vniA1 ASP 115 HA 0.06 0.18 0.35 -0.75 4.63 4.46 2vniA1 ASP 115 HB2 0.04 -0.06 -0.06 -0.04 2.71 2.59 2vniA1 ASP 115 HB3 0.03 0.08 0.05 -0.04 2.70 2.82 2vniA1 ALA 116 H 0.08 0.37 -0.64 -0.55 8.40 7.66 2vniA1 ALA 116 HA 0.04 0.21 0.47 -0.75 4.34 4.31 2vniA1 ALA 116 HB3 0.06 -0.03 -0.13 -0.04 1.41 1.26 2vniA1 LEU 117 H 0.10 0.45 -0.42 -0.55 8.37 7.96 2vniA1 LEU 117 HA 0.09 0.07 0.87 -0.75 4.35 4.62 2vniA1 LEU 117 HB2 0.24 0.08 -0.01 -0.04 1.64 1.91 2vniA1 LEU 117 HB3 0.22 0.16 -0.07 -0.04 1.64 1.92 2vniA1 LEU 117 HG 0.14 -0.09 -0.36 -0.04 1.64 1.29 2vniA1 LEU 117 HD13 0.13 -0.03 -0.21 -0.04 0.93 0.79 2vniA1 LEU 117 HD23 0.12 0.04 -0.31 -0.04 0.89 0.70 2vniA1 LEU 118 H 0.08 0.64 0.19 -0.55 8.37 8.73 2vniA1 LEU 118 HA 0.03 0.00 0.41 -0.75 4.35 4.04 2vniA1 LEU 118 HB2 0.06 0.03 0.02 -0.04 1.64 1.71 2vniA1 LEU 118 HB3 0.03 0.05 0.04 -0.04 1.64 1.72 2vniA1 LEU 118 HG 0.02 -0.04 -0.35 -0.04 1.64 1.22 2vniA1 LEU 118 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.83 2vniA1 LEU 118 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.82 2vniA1 PRO 119 HA -0.31 0.09 0.45 -0.51 4.44 4.16 2vniA1 PRO 119 HB2 -0.15 0.05 0.08 -0.04 2.28 2.22 2vniA1 PRO 119 HB3 -0.15 -0.02 0.15 -0.04 2.02 1.97 2vniA1 PRO 119 HG2 -0.04 0.01 0.04 -0.04 2.03 2.01 2vniA1 PRO 119 HG3 -0.05 -0.04 0.08 -0.04 2.03 1.99 2vniA1 PRO 119 HD2 -0.01 0.02 0.22 -0.04 3.68 3.87 2vniA1 PRO 119 HD3 -0.02 0.11 0.20 -0.04 3.65 3.89 2vniA1 GLY 120 H -0.46 0.43 0.27 -0.55 8.43 8.12 2vniA1 GLY 120 HA2 0.03 0.06 0.46 -0.51 4.01 4.05 2vniA1 GLY 120 HA3 0.19 0.10 0.30 -0.51 4.01 4.09 2vniA1 LYS 121 H 0.14 0.35 0.36 -0.55 8.42 8.71 2vniA1 LYS 121 HA 0.08 0.13 1.05 -0.75 4.32 4.83 2vniA1 LYS 121 HB2 0.04 -0.00 0.09 -0.04 1.87 1.96 2vniA1 LYS 121 HB3 0.07 0.01 0.23 -0.04 1.79 2.05 2vniA1 LYS 121 HG2 0.04 -0.01 -0.29 -0.04 1.46 1.15 2vniA1 LYS 121 HG3 0.03 -0.01 0.07 -0.04 1.46 1.51 2vniA1 LYS 121 HD2 0.02 -0.02 0.00 -0.04 1.69 1.65 2vniA1 LYS 121 HD3 0.03 -0.01 -0.04 -0.04 1.68 1.62 2vniA1 LYS 121 HE2 -0.00 0.02 -0.07 -0.04 2.99 2.89 2vniA1 LYS 121 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 2vniA1 ARG 122 H 0.16 0.65 0.35 -0.55 8.46 9.07 2vniA1 ARG 122 HA -0.06 0.26 1.16 -0.75 4.34 4.95 2vniA1 ARG 122 HB2 0.02 -0.05 -0.09 -0.04 1.90 1.74 2vniA1 ARG 122 HB3 0.14 -0.08 0.05 -0.04 1.80 1.86 2vniA1 ARG 122 HG2 -0.62 -0.05 -0.22 -0.04 1.67 0.73 2vniA1 ARG 122 HG3 -0.32 0.06 -0.06 -0.04 1.67 1.31 2vniA1 ARG 122 HD2 -0.35 -0.01 -0.13 -0.04 3.22 2.69 2vniA1 ARG 122 HD3 -0.10 0.02 -0.09 -0.04 3.22 3.01 2vniA1 LEU 123 H -0.36 0.88 0.38 -0.55 8.37 8.73 2vniA1 LEU 123 HA -0.31 0.23 1.04 -0.75 4.35 4.56 2vniA1 LEU 123 HB2 -1.75 0.03 -0.09 -0.04 1.64 -0.21 2vniA1 LEU 123 HB3 -0.73 0.04 0.15 -0.04 1.64 1.06 2vniA1 LEU 123 HG -0.72 -0.06 -0.36 -0.04 1.64 0.46 2vniA1 LEU 123 HD13 -0.36 0.02 -0.21 -0.04 0.93 0.34 2vniA1 LEU 123 HD23 -0.43 -0.01 -0.14 -0.04 0.89 0.27 2vniA1 TRP 124 H 0.17 0.90 0.49 -0.55 7.97 8.98 2vniA1 TRP 124 HA -0.31 0.20 1.07 -0.75 4.62 4.83 2vniA1 TRP 124 HB2 -0.11 -0.06 0.13 -0.04 3.23 3.15 2vniA1 TRP 124 HB3 -0.12 -0.05 -0.03 -0.04 3.23 2.98 2vniA1 TRP 124 HD1 -0.11 0.25 -0.07 -0.04 7.22 7.24 2vniA1 TRP 124 HE1 -0.05 0.00 -0.13 -0.04 10.20 9.98 2vniA1 TRP 124 HE3 -0.13 -0.03 -0.12 -0.04 7.59 7.28 2vniA1 TRP 124 HZ2 0.11 0.10 -0.16 -0.04 7.44 7.44 2vniA1 TRP 124 HZ3 -0.28 -0.05 -0.18 -0.04 7.13 6.59 2vniA1 TRP 124 HH2 0.03 0.00 -0.21 -0.04 7.19 6.97 2vniA1 PHE 125 H -0.05 0.79 0.39 -0.55 8.34 8.92 2vniA1 PHE 125 HA -0.60 0.15 0.90 -0.75 4.62 4.32 2vniA1 PHE 125 HB2 -0.32 0.00 0.21 -0.04 3.15 3.00 2vniA1 PHE 125 HB3 -1.19 -0.07 -0.03 -0.04 3.06 1.73 2vniA1 PHE 125 HD2 -0.22 0.04 -0.14 -0.04 7.28 6.93 2vniA1 PHE 125 HE2 -0.03 0.03 -0.27 -0.04 7.38 7.07 2vniA1 PHE 125 HZ -0.03 0.04 -0.21 -0.04 7.32 7.07 2vniA1 LEU 126 H -0.08 0.80 0.32 -0.55 8.37 8.86 2vniA1 LEU 126 HA 0.14 0.23 1.04 -0.75 4.35 5.01 2vniA1 LEU 126 HB2 0.12 -0.08 0.17 -0.04 1.64 1.81 2vniA1 LEU 126 HB3 0.19 -0.10 -0.01 -0.04 1.64 1.68 2vniA1 LEU 126 HG 0.07 0.07 -0.24 -0.04 1.64 1.50 2vniA1 LEU 126 HD13 -0.14 -0.01 -0.16 -0.04 0.93 0.57 2vniA1 LEU 126 HD23 0.17 0.05 -0.27 -0.04 0.89 0.79 2vniA1 ALA 127 H 0.17 0.75 0.34 -0.55 8.40 9.11 2vniA1 ALA 127 HA 0.14 0.17 0.98 -0.75 4.34 4.87 2vniA1 ALA 127 HB3 0.26 -0.02 -0.30 -0.04 1.41 1.31 2vniA1 THR 128 H -0.14 0.46 0.38 -0.55 8.28 8.43 2vniA1 THR 128 HA 0.05 0.35 1.02 -0.75 4.39 5.06 2vniA1 THR 128 HB -0.16 0.02 0.18 -0.04 4.32 4.32 2vniA1 THR 128 HG23 -0.65 -0.00 -0.09 -0.04 1.22 0.44 2vniA1 GLY 129 H 0.05 0.31 0.21 -0.55 8.43 8.46 2vniA1 GLY 129 HA2 0.11 0.05 0.37 -0.51 4.01 4.02 2vniA1 GLY 129 HA3 0.10 -0.04 0.44 -0.51 4.01 4.00 2vniA1 THR 130 H 0.07 0.12 0.20 -0.55 8.28 8.12 2vniA1 THR 130 HA 0.21 0.11 0.44 -0.75 4.39 4.40 2vniA1 THR 130 HB -0.09 0.14 0.14 -0.04 4.32 4.46 2vniA1 THR 130 HG23 -0.34 -0.03 -0.07 -0.04 1.22 0.75 2vniA1 GLY 131 H 0.08 0.39 -0.32 -0.55 8.43 8.04 2vniA1 GLY 131 HA2 -0.05 0.04 0.34 -0.51 4.01 3.83 2vniA1 GLY 131 HA3 0.00 0.20 0.31 -0.51 4.01 4.02 2vniA1 ILE 132 H 0.04 0.20 -0.75 -0.55 8.25 7.19 2vniA1 ILE 132 HA 0.09 0.13 0.44 -0.75 4.18 4.09 2vniA1 ILE 132 HB -0.94 0.01 -0.11 -0.04 1.89 0.80 2vniA1 ILE 132 HG12 -0.14 -0.03 -0.13 -0.04 1.49 1.15 2vniA1 ILE 132 HG13 -0.11 0.03 -0.08 -0.04 1.21 1.02 2vniA1 ILE 132 HG23 -0.04 0.01 -0.17 -0.04 0.93 0.69 2vniA1 ILE 132 HD13 -0.30 -0.00 -0.11 -0.04 0.88 0.43 2vniA1 ALA 133 H 0.01 0.58 -0.20 -0.55 8.40 8.25 2vniA1 ALA 133 HA -0.00 -0.00 0.29 -0.75 4.34 3.87 2vniA1 ALA 133 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2vniA1 PRO 134 HA -0.20 0.19 0.39 -0.51 4.44 4.30 2vniA1 PRO 134 HB2 -0.50 0.07 0.05 -0.04 2.28 1.86 2vniA1 PRO 134 HB3 -0.24 0.07 0.06 -0.04 2.02 1.86 2vniA1 PRO 134 HG2 -1.44 0.08 -0.10 -0.04 2.03 0.52 2vniA1 PRO 134 HG3 -0.50 0.00 -0.02 -0.04 2.03 1.47 2vniA1 PRO 134 HD2 -0.30 0.14 -0.36 -0.04 3.68 3.12 2vniA1 PRO 134 HD3 -0.22 0.04 0.02 -0.04 3.65 3.46 2vniA1 PHE 135 H -0.41 0.34 -0.58 -0.55 8.34 7.13 2vniA1 PHE 135 HA -0.49 0.08 0.65 -0.75 4.62 4.10 2vniA1 PHE 135 HB2 -0.20 0.09 -0.02 -0.04 3.15 2.98 2vniA1 PHE 135 HB3 -0.37 0.01 -0.04 -0.04 3.06 2.61 2vniA1 PHE 135 HD2 -0.71 -0.01 -0.14 -0.04 7.28 6.38 2vniA1 PHE 135 HE2 -0.12 0.02 -0.19 -0.04 7.38 7.05 2vniA1 PHE 135 HZ 0.00 -0.08 -0.46 -0.04 7.32 6.75 2vniA1 ALA 136 H -0.09 0.39 -0.10 -0.55 8.40 8.06 2vniA1 ALA 136 HA -0.10 -0.01 0.35 -0.75 4.34 3.83 2vniA1 ALA 136 HB3 -0.06 0.02 0.05 -0.04 1.41 1.37 2vniA1 SER 137 H -0.09 0.10 -0.61 -0.55 8.46 7.30 2vniA1 SER 137 HA -0.06 0.09 0.18 -0.75 4.49 3.94 2vniA1 SER 137 HB2 -0.06 0.16 -0.36 -0.04 3.95 3.65 2vniA1 SER 137 HB3 -0.07 0.07 0.02 -0.04 3.93 3.91 2vniA1 LEU 138 H -0.07 0.44 -0.07 -0.55 8.37 8.12 2vniA1 LEU 138 HA 0.07 -0.04 0.35 -0.75 4.35 3.97 2vniA1 LEU 138 HB2 -0.25 -0.00 0.09 -0.04 1.64 1.44 2vniA1 LEU 138 HB3 0.14 0.02 -0.06 -0.04 1.64 1.69 2vniA1 LEU 138 HG -0.02 -0.09 -0.26 -0.04 1.64 1.22 2vniA1 LEU 138 HD13 -0.07 0.07 -0.09 -0.04 0.93 0.80 2vniA1 LEU 138 HD23 0.11 0.01 -0.06 -0.04 0.89 0.92 2vniA1 MET 139 H 0.09 0.65 -0.39 -0.55 8.47 8.27 2vniA1 MET 139 HA 0.28 0.07 0.38 -0.75 4.52 4.50 2vniA1 MET 139 HB2 0.09 0.10 -0.03 -0.04 2.15 2.27 2vniA1 MET 139 HB3 0.17 -0.04 -0.07 -0.04 2.03 2.05 2vniA1 MET 139 HG2 0.36 -0.01 -0.10 -0.04 2.63 2.83 2vniA1 MET 139 HG3 0.27 0.07 -0.07 -0.04 2.56 2.80 2vniA1 MET 139 HE3 -0.02 -0.02 -0.20 -0.04 2.10 1.81 2vniA1 ARG 140 H 0.12 0.32 -0.61 -0.55 8.46 7.73 2vniA1 ARG 140 HA 0.27 0.16 0.70 -0.75 4.34 4.71 2vniA1 ARG 140 HB2 0.04 0.12 0.11 -0.04 1.90 2.14 2vniA1 ARG 140 HB3 0.24 -0.11 0.17 -0.04 1.80 2.05 2vniA1 ARG 140 HG2 0.11 -0.01 -0.09 -0.04 1.67 1.64 2vniA1 ARG 140 HG3 0.05 0.02 -0.18 -0.04 1.67 1.52 2vniA1 ARG 140 HD2 0.03 -0.09 0.01 -0.04 3.22 3.13 2vniA1 ARG 140 HD3 -0.01 -0.05 -0.04 -0.04 3.22 3.08 2vniA1 GLU 141 H 0.21 0.40 -0.58 -0.55 8.60 8.09 2vniA1 GLU 141 HA 0.29 0.08 0.80 -0.75 4.29 4.71 2vniA1 GLU 141 HB2 0.09 -0.04 0.05 -0.04 2.09 2.15 2vniA1 GLU 141 HB3 0.13 0.28 0.24 -0.04 1.99 2.60 2vniA1 GLU 141 HG2 0.08 0.02 0.03 -0.04 2.34 2.44 2vniA1 GLU 141 HG3 0.12 -0.21 -0.13 -0.04 2.34 2.08 2vniA1 PRO 142 HA 0.25 0.12 0.31 -0.51 4.44 4.62 2vniA1 PRO 142 HB2 0.07 -0.03 0.05 -0.04 2.28 2.33 2vniA1 PRO 142 HB3 0.04 0.07 0.04 -0.04 2.02 2.13 2vniA1 PRO 142 HG2 -0.06 0.02 0.08 -0.04 2.03 2.03 2vniA1 PRO 142 HG3 0.00 0.10 0.05 -0.04 2.03 2.14 2vniA1 PRO 142 HD2 0.27 -0.01 0.23 -0.04 3.68 4.12 2vniA1 PRO 142 HD3 0.45 0.42 0.35 -0.04 3.65 4.82 2vniA1 GLU 143 H 0.11 0.07 -0.22 -0.55 8.60 8.02 2vniA1 GLU 143 HA 0.07 0.07 0.32 -0.75 4.29 3.99 2vniA1 GLU 143 HB2 0.06 -0.02 0.07 -0.04 2.09 2.16 2vniA1 GLU 143 HB3 0.09 -0.03 0.00 -0.04 1.99 2.02 2vniA1 GLU 143 HG2 0.09 0.06 -0.20 -0.04 2.34 2.25 2vniA1 GLU 143 HG3 0.04 0.03 0.01 -0.04 2.34 2.39 2vniA1 ALA 144 H 0.09 0.37 -0.31 -0.55 8.40 8.00 2vniA1 ALA 144 HA 0.17 0.01 0.33 -0.75 4.34 4.10 2vniA1 ALA 144 HB3 -0.15 0.02 0.03 -0.04 1.41 1.27 2vniA1 TYR 145 H 0.09 0.28 -0.18 -0.55 8.29 7.92 2vniA1 TYR 145 HA 0.07 0.26 0.59 -0.75 4.56 4.72 2vniA1 TYR 145 HB2 0.04 -0.01 0.03 -0.04 3.06 3.08 2vniA1 TYR 145 HB3 0.02 0.03 0.09 -0.04 2.98 3.08 2vniA1 TYR 145 HD2 0.04 0.03 -0.12 -0.04 7.15 7.06 2vniA1 TYR 145 HE2 0.04 0.08 -0.17 -0.04 6.85 6.75 2vniA1 GLU 146 H 0.10 0.19 -0.32 -0.55 8.60 8.03 2vniA1 GLU 146 HA 0.05 0.23 0.95 -0.75 4.29 4.77 2vniA1 GLU 146 HB2 0.01 -0.05 0.05 -0.04 2.09 2.06 2vniA1 GLU 146 HB3 0.05 -0.03 -0.03 -0.04 1.99 1.94 2vniA1 GLU 146 HG2 0.07 0.12 0.09 -0.04 2.34 2.57 2vniA1 GLU 146 HG3 0.02 0.01 -0.06 -0.04 2.34 2.28 2vniA1 LYS 147 H 0.03 0.37 0.02 -0.55 8.42 8.28 2vniA1 LYS 147 HA -0.18 0.11 0.80 -0.75 4.32 4.29 2vniA1 LYS 147 HB2 -0.09 -0.11 0.04 -0.04 1.87 1.67 2vniA1 LYS 147 HB3 -0.07 0.07 0.04 -0.04 1.79 1.78 2vniA1 LYS 147 HG2 -1.02 0.01 0.05 -0.04 1.46 0.47 2vniA1 LYS 147 HG3 -0.31 -0.03 0.12 -0.04 1.46 1.20 2vniA1 LYS 147 HD2 -0.06 -0.09 -0.05 -0.04 1.69 1.45 2vniA1 LYS 147 HD3 0.03 -0.05 -0.10 -0.04 1.68 1.52 2vniA1 LYS 147 HE2 -0.12 0.07 -0.21 -0.04 2.99 2.70 2vniA1 LYS 147 HE3 -0.13 -0.08 -0.02 -0.04 2.99 2.72 2vniA1 PHE 148 H 0.06 0.22 -0.23 -0.55 8.34 7.84 2vniA1 PHE 148 HA -0.02 0.24 0.74 -0.75 4.62 4.82 2vniA1 PHE 148 HB2 -0.11 0.24 -0.00 -0.04 3.15 3.23 2vniA1 PHE 148 HB3 -0.09 -0.02 -0.11 -0.04 3.06 2.80 2vniA1 PHE 148 HD2 -0.03 -0.05 -0.38 -0.04 7.28 6.78 2vniA1 PHE 148 HE2 0.03 -0.02 -0.19 -0.04 7.38 7.15 2vniA1 PHE 148 HZ 0.04 0.10 -0.19 -0.04 7.32 7.23 2vniA1 ASP 149 H 0.11 0.30 0.35 -0.55 8.40 8.61 2vniA1 ASP 149 HA 0.06 0.14 0.70 -0.75 4.63 4.78 2vniA1 ASP 149 HB2 0.03 0.02 0.19 -0.04 2.71 2.90 2vniA1 ASP 149 HB3 0.02 -0.03 0.12 -0.04 2.70 2.76 2vniA1 GLU 150 H 0.02 0.42 0.30 -0.55 8.60 8.80 2vniA1 GLU 150 HA -0.04 0.42 1.05 -0.75 4.29 4.97 2vniA1 GLU 150 HB2 -0.13 -0.13 0.09 -0.04 2.09 1.88 2vniA1 GLU 150 HB3 -0.19 -0.03 -0.04 -0.04 1.99 1.69 2vniA1 GLU 150 HG2 -0.04 0.23 0.01 -0.04 2.34 2.50 2vniA1 GLU 150 HG3 -0.03 -0.10 -0.28 -0.04 2.34 1.89 2vniA1 VAL 151 H -0.12 0.78 0.35 -0.55 8.24 8.70 2vniA1 VAL 151 HA -0.50 0.29 1.07 -0.75 4.13 4.23 2vniA1 VAL 151 HB -0.14 -0.04 0.11 -0.04 2.12 2.02 2vniA1 VAL 151 HG13 -0.63 -0.03 -0.20 -0.04 0.97 0.07 2vniA1 VAL 151 HG23 -0.48 0.01 -0.30 -0.04 0.95 0.15 2vniA1 ILE 152 H -0.63 0.69 0.30 -0.55 8.25 8.06 2vniA1 ILE 152 HA -0.29 0.25 1.00 -0.75 4.18 4.38 2vniA1 ILE 152 HB -1.01 -0.11 0.11 -0.04 1.89 0.85 2vniA1 ILE 152 HG12 -0.96 0.03 -0.23 -0.04 1.49 0.29 2vniA1 ILE 152 HG13 -1.80 -0.02 -0.15 -0.04 1.21 -0.80 2vniA1 ILE 152 HG23 -0.49 -0.01 -0.20 -0.04 0.93 0.19 2vniA1 ILE 152 HD13 -0.43 0.03 -0.21 -0.04 0.88 0.24 2vniA1 MET 153 H -0.01 0.76 0.29 -0.55 8.47 8.96 2vniA1 MET 153 HA 0.08 0.16 0.96 -0.75 4.52 4.96 2vniA1 MET 153 HB2 0.17 0.06 -0.08 -0.04 2.15 2.25 2vniA1 MET 153 HB3 0.27 -0.03 0.17 -0.04 2.03 2.41 2vniA1 MET 153 HG2 0.24 -0.02 -0.12 -0.04 2.63 2.69 2vniA1 MET 153 HG3 0.28 -0.08 -0.37 -0.04 2.56 2.36 2vniA1 MET 153 HE3 0.05 0.02 -0.27 -0.04 2.10 1.85 2vniA1 MET 154 H 0.13 0.71 0.29 -0.55 8.47 9.05 2vniA1 MET 154 HA 0.22 0.36 0.92 -0.75 4.52 5.26 2vniA1 MET 154 HB2 0.19 -0.02 0.23 -0.04 2.15 2.51 2vniA1 MET 154 HB3 0.21 -0.08 -0.00 -0.04 2.03 2.12 2vniA1 MET 154 HG2 0.22 0.10 -0.08 -0.04 2.63 2.83 2vniA1 MET 154 HG3 0.21 0.01 -0.19 -0.04 2.56 2.54 2vniA1 MET 154 HE3 0.05 -0.01 -0.12 -0.04 2.10 1.98 2vniA1 HIS 155 H 0.16 0.42 0.07 -0.55 8.41 8.52 2vniA1 HIS 155 HA 0.08 0.29 1.03 -0.75 4.63 5.27 2vniA1 HIS 155 HB2 0.16 0.03 -0.20 -0.04 3.26 3.22 2vniA1 HIS 155 HB3 0.09 -0.03 0.06 -0.04 3.20 3.28 2vniA1 HIS 155 HD2 0.04 0.14 -0.29 -0.04 6.97 6.82 2vniA1 HIS 155 HE1 0.07 0.00 -0.06 -0.04 7.75 7.73 2vniA1 ALA 156 H 0.14 0.63 0.37 -0.55 8.40 8.98 2vniA1 ALA 156 HA -0.09 0.45 1.10 -0.75 4.34 5.05 2vniA1 ALA 156 HB3 0.02 -0.01 -0.02 -0.04 1.41 1.35 2vniA1 CYS 157 H -0.16 0.69 0.33 -0.55 8.50 8.81 2vniA1 CYS 157 HA -0.09 0.04 0.85 -0.75 4.58 4.62 2vniA1 CYS 157 HB2 -0.22 0.21 -0.06 -0.04 2.97 2.86 2vniA1 CYS 157 HB3 -0.11 -0.21 0.12 -0.04 2.97 2.73 2vniA1 ARG 158 H -0.05 0.12 0.19 -0.55 8.46 8.16 2vniA1 ARG 158 HA -0.04 0.03 0.60 -0.75 4.34 4.18 2vniA1 ARG 158 HB2 -0.03 -0.05 0.18 -0.04 1.90 1.97 2vniA1 ARG 158 HB3 -0.02 0.05 0.05 -0.04 1.80 1.84 2vniA1 ARG 158 HG2 -0.01 0.04 0.02 -0.04 1.67 1.67 2vniA1 ARG 158 HG3 -0.02 -0.03 0.08 -0.04 1.67 1.66 2vniA1 ARG 158 HD2 -0.01 -0.01 0.03 -0.04 3.22 3.18 2vniA1 ARG 158 HD3 -0.01 0.05 0.01 -0.04 3.22 3.24 2vniA1 THR 159 H -0.06 0.04 0.05 -0.55 8.28 7.77 2vniA1 THR 159 HA -0.06 0.25 1.07 -0.75 4.39 4.90 2vniA1 THR 159 HB -0.02 0.03 0.19 -0.04 4.32 4.47 2vniA1 THR 159 HG23 -0.01 0.03 -0.08 -0.04 1.22 1.12 2vniA1 VAL 160 H -0.08 0.21 0.16 -0.55 8.24 7.97 2vniA1 VAL 160 HA -0.36 0.19 0.40 -0.75 4.13 3.61 2vniA1 VAL 160 HB -0.05 -0.03 0.10 -0.04 2.12 2.10 2vniA1 VAL 160 HG13 -0.11 0.03 -0.10 -0.04 0.97 0.75 2vniA1 VAL 160 HG23 -0.21 0.02 -0.00 -0.04 0.95 0.72 2vniA1 ALA 161 H -0.02 0.05 -0.05 -0.55 8.40 7.83 2vniA1 ALA 161 HA 0.07 0.18 0.42 -0.75 4.34 4.26 2vniA1 ALA 161 HB3 0.07 0.04 0.08 -0.04 1.41 1.56 2vniA1 GLU 162 H -0.01 0.04 -0.36 -0.55 8.60 7.72 2vniA1 GLU 162 HA 0.10 0.09 0.33 -0.75 4.29 4.05 2vniA1 GLU 162 HB2 -0.05 0.08 -0.02 -0.04 2.09 2.06 2vniA1 GLU 162 HB3 0.03 0.01 0.09 -0.04 1.99 2.08 2vniA1 GLU 162 HG2 0.04 0.04 -0.02 -0.04 2.34 2.36 2vniA1 GLU 162 HG3 -0.00 -0.09 0.02 -0.04 2.34 2.23 2vniA1 LEU 163 H -0.06 0.34 -0.75 -0.55 8.37 7.35 2vniA1 LEU 163 HA -0.03 0.12 0.64 -0.75 4.35 4.33 2vniA1 LEU 163 HB2 -0.15 0.22 0.02 -0.04 1.64 1.69 2vniA1 LEU 163 HB3 -0.02 -0.01 0.02 -0.04 1.64 1.60 2vniA1 LEU 163 HG -0.25 -0.06 -0.14 -0.04 1.64 1.14 2vniA1 LEU 163 HD13 -0.46 0.01 -0.18 -0.04 0.93 0.26 2vniA1 LEU 163 HD23 -0.35 0.03 -0.09 -0.04 0.89 0.43 2vniA1 GLU 164 H 0.01 0.39 -0.18 -0.55 8.60 8.27 2vniA1 GLU 164 HA 0.00 0.05 0.33 -0.75 4.29 3.93 2vniA1 GLU 164 HB2 0.15 0.07 0.20 -0.04 2.09 2.47 2vniA1 GLU 164 HB3 0.19 -0.03 0.11 -0.04 1.99 2.21 2vniA1 GLU 164 HG2 0.39 0.05 0.02 -0.04 2.34 2.76 2vniA1 GLU 164 HG3 0.39 -0.01 -0.14 -0.04 2.34 2.54 2vniA1 TYR 165 H -0.50 0.14 -0.19 -0.55 8.29 7.20 2vniA1 TYR 165 HA -1.58 0.08 0.29 -0.75 4.56 2.59 2vniA1 TYR 165 HB2 -2.02 -0.00 -0.01 -0.04 3.06 0.98 2vniA1 TYR 165 HB3 -0.94 -0.03 -0.04 -0.04 2.98 1.94 2vniA1 TYR 165 HD2 -0.86 -0.02 -0.14 -0.04 7.15 6.09 2vniA1 TYR 165 HE2 -0.30 0.02 -0.15 -0.04 6.85 6.37 2vniA1 GLY 166 H -0.22 0.11 -0.36 -0.55 8.43 7.41 2vniA1 GLY 166 HA2 -0.52 0.06 0.34 -0.51 4.01 3.38 2vniA1 GLY 166 HA3 -0.13 0.05 0.20 -0.51 4.01 3.62 2vniA1 ARG 167 H -0.11 0.49 -0.13 -0.55 8.46 8.16 2vniA1 ARG 167 HA -0.31 0.04 0.36 -0.75 4.34 3.67 2vniA1 ARG 167 HB2 0.11 0.04 0.02 -0.04 1.90 2.02 2vniA1 ARG 167 HB3 0.00 0.02 0.12 -0.04 1.80 1.90 2vniA1 ARG 167 HG2 0.05 -0.01 -0.14 -0.04 1.67 1.53 2vniA1 ARG 167 HG3 0.27 0.02 -0.01 -0.04 1.67 1.90 2vniA1 ARG 167 HD2 0.15 0.02 -0.05 -0.04 3.22 3.30 2vniA1 ARG 167 HD3 0.15 -0.03 -0.06 -0.04 3.22 3.24 2vniA1 GLN 168 H -0.16 0.69 -0.01 -0.55 8.47 8.44 2vniA1 GLN 168 HA -0.03 0.01 0.38 -0.75 4.36 3.96 2vniA1 GLN 168 HB2 -0.09 0.07 0.07 -0.04 2.15 2.16 2vniA1 GLN 168 HB3 0.06 -0.01 -0.05 -0.04 2.02 1.98 2vniA1 GLN 168 HG2 0.09 -0.01 0.01 -0.04 2.40 2.44 2vniA1 GLN 168 HG3 0.11 0.02 0.00 -0.04 2.39 2.48 2vniA1 GLN 168 HE21 0.38 0.01 -0.04 -0.04 6.97 7.27 2vniA1 GLN 168 HE22 0.38 -0.04 -0.05 -0.04 7.69 7.94 2vniA1 LEU 169 H -0.37 0.46 -0.28 -0.55 8.37 7.64 2vniA1 LEU 169 HA -0.17 0.00 0.37 -0.75 4.35 3.80 2vniA1 LEU 169 HB2 -0.64 0.04 0.09 -0.04 1.64 1.09 2vniA1 LEU 169 HB3 -0.42 0.07 0.14 -0.04 1.64 1.38 2vniA1 LEU 169 HG -0.21 -0.04 -0.02 -0.04 1.64 1.34 2vniA1 LEU 169 HD13 -0.41 0.02 -0.02 -0.04 0.93 0.47 2vniA1 LEU 169 HD23 -0.13 0.01 -0.25 -0.04 0.89 0.48 2vniA1 VAL 170 H -0.33 0.68 -0.04 -0.55 8.24 8.01 2vniA1 VAL 170 HA -0.15 0.03 0.33 -0.75 4.13 3.58 2vniA1 VAL 170 HB -0.59 0.06 0.13 -0.04 2.12 1.69 2vniA1 VAL 170 HG13 -0.20 -0.01 -0.13 -0.04 0.97 0.59 2vniA1 VAL 170 HG23 -0.57 0.03 -0.01 -0.04 0.95 0.37 2vniA1 GLU 171 H -0.15 0.76 -0.13 -0.55 8.60 8.53 2vniA1 GLU 171 HA -0.04 0.01 0.41 -0.75 4.29 3.92 2vniA1 GLU 171 HB2 -0.03 0.03 0.07 -0.04 2.09 2.12 2vniA1 GLU 171 HB3 -0.03 0.06 0.14 -0.04 1.99 2.13 2vniA1 GLU 171 HG2 0.00 -0.01 -0.17 -0.04 2.34 2.12 2vniA1 GLU 171 HG3 0.01 -0.01 0.01 -0.04 2.34 2.31 2vniA1 ALA 172 H -0.05 0.66 -0.11 -0.55 8.40 8.35 2vniA1 ALA 172 HA -0.00 -0.03 0.36 -0.75 4.34 3.91 2vniA1 ALA 172 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 2vniA1 LEU 173 H -0.04 0.41 -0.39 -0.55 8.37 7.80 2vniA1 LEU 173 HA -0.01 0.01 0.55 -0.75 4.35 4.15 2vniA1 LEU 173 HB2 -0.03 0.17 0.13 -0.04 1.64 1.87 2vniA1 LEU 173 HB3 -0.03 -0.03 -0.04 -0.04 1.64 1.51 2vniA1 LEU 173 HG -0.01 0.09 -0.04 -0.04 1.64 1.64 2vniA1 LEU 173 HD13 0.05 -0.01 -0.15 -0.04 0.93 0.78 2vniA1 LEU 173 HD23 0.06 -0.02 -0.03 -0.04 0.89 0.85 2vniA1 GLN 174 H -0.03 0.44 -0.01 -0.55 8.47 8.32 2vniA1 GLN 174 HA -0.03 0.15 0.72 -0.75 4.36 4.44 2vniA1 GLN 174 HB2 -0.01 0.03 0.15 -0.04 2.15 2.28 2vniA1 GLN 174 HB3 -0.01 -0.01 0.19 -0.04 2.02 2.15 2vniA1 GLN 174 HG2 -0.02 -0.05 0.01 -0.04 2.40 2.30 2vniA1 GLN 174 HG3 -0.03 0.25 0.11 -0.04 2.39 2.68 2vniA1 GLN 174 HE21 0.05 -0.03 0.08 -0.04 6.97 7.03 2vniA1 GLN 174 HE22 0.02 0.02 0.03 -0.04 7.69 7.71 2vniA1 GLU 175 H -0.01 0.25 -0.29 -0.55 8.60 8.00 2vniA1 GLU 175 HA -0.01 0.16 0.75 -0.75 4.29 4.44 2vniA1 GLU 175 HB2 -0.00 0.19 0.04 -0.04 2.09 2.27 2vniA1 GLU 175 HB3 0.00 -0.06 -0.05 -0.04 1.99 1.84 2vniA1 GLU 175 HG2 0.01 -0.07 -0.00 -0.04 2.34 2.22 2vniA1 GLU 175 HG3 0.00 0.03 0.05 -0.04 2.34 2.38 2vniA1 ASP 176 H -0.01 0.23 -0.31 -0.55 8.40 7.75 2vniA1 ASP 176 HA -0.00 0.07 0.41 -0.75 4.63 4.35 2vniA1 ASP 176 HB2 -0.01 0.27 0.23 -0.04 2.71 3.17 2vniA1 ASP 176 HB3 -0.03 -0.12 0.12 -0.04 2.70 2.63 2vniA1 PRO 177 HA -0.01 0.14 0.41 -0.51 4.44 4.47 2vniA1 PRO 177 HB2 -0.01 -0.04 0.09 -0.04 2.28 2.29 2vniA1 PRO 177 HB3 -0.01 0.03 0.12 -0.04 2.02 2.12 2vniA1 PRO 177 HG2 0.00 0.00 0.11 -0.04 2.03 2.10 2vniA1 PRO 177 HG3 -0.00 0.10 0.14 -0.04 2.03 2.23 2vniA1 PRO 177 HD2 -0.00 0.02 0.23 -0.04 3.68 3.88 2vniA1 PRO 177 HD3 0.00 0.18 0.25 -0.04 3.65 4.04 2vniA1 LEU 178 H -0.02 0.02 -0.19 -0.55 8.37 7.63 2vniA1 LEU 178 HA -0.03 0.21 0.72 -0.75 4.35 4.49 2vniA1 LEU 178 HB2 -0.04 -0.04 0.09 -0.04 1.64 1.60 2vniA1 LEU 178 HB3 -0.05 0.04 0.00 -0.04 1.64 1.60 2vniA1 LEU 178 HG -0.03 0.04 -0.01 -0.04 1.64 1.61 2vniA1 LEU 178 HD13 -0.02 -0.04 -0.09 -0.04 0.93 0.75 2vniA1 LEU 178 HD23 -0.04 0.00 0.00 -0.04 0.89 0.82 2vniA1 ILE 179 H -0.04 0.04 -0.02 -0.55 8.25 7.68 2vniA1 ILE 179 HA -0.06 0.24 1.09 -0.75 4.18 4.69 2vniA1 ILE 179 HB -0.11 0.01 0.16 -0.04 1.89 1.91 2vniA1 ILE 179 HG12 -0.05 -0.11 0.04 -0.04 1.49 1.32 2vniA1 ILE 179 HG13 -0.07 0.19 -0.24 -0.04 1.21 1.05 2vniA1 ILE 179 HG23 -0.08 0.00 -0.13 -0.04 0.93 0.68 2vniA1 ILE 179 HD13 -0.07 0.01 -0.01 -0.04 0.88 0.76 2vniA1 GLY 180 H -0.03 0.58 -0.05 -0.55 8.43 8.38 2vniA1 GLY 180 HA2 -0.04 0.41 0.53 -0.51 4.01 4.40 2vniA1 GLY 180 HA3 -0.03 0.12 -0.11 -0.51 4.01 3.49 2vniA1 GLU 181 H -0.04 -0.04 -0.62 -0.55 8.60 7.36 2vniA1 GLU 181 HA -0.03 0.18 0.80 -0.75 4.29 4.49 2vniA1 GLU 181 HB2 -0.02 0.01 -0.01 -0.04 2.09 2.03 2vniA1 GLU 181 HB3 -0.02 -0.00 -0.04 -0.04 1.99 1.89 2vniA1 GLU 181 HG2 -0.04 -0.14 -0.07 -0.04 2.34 2.06 2vniA1 GLU 181 HG3 -0.03 0.00 -0.09 -0.04 2.34 2.19 2vniA1 LEU 182 H -0.06 -0.06 -0.09 -0.55 8.37 7.60 2vniA1 LEU 182 HA -0.05 0.08 0.48 -0.75 4.35 4.10 2vniA1 LEU 182 HB2 -0.06 -0.03 0.17 -0.04 1.64 1.68 2vniA1 LEU 182 HB3 -0.10 -0.02 0.24 -0.04 1.64 1.72 2vniA1 LEU 182 HG -0.13 0.05 -0.17 -0.04 1.64 1.35 2vniA1 LEU 182 HD13 -0.04 0.01 0.07 -0.04 0.93 0.93 2vniA1 LEU 182 HD23 -0.07 -0.02 0.01 -0.04 0.89 0.76 2vniA1 VAL 183 H -0.12 0.56 -0.01 -0.55 8.24 8.12 2vniA1 VAL 183 HA -0.33 0.05 0.42 -0.75 4.13 3.51 2vniA1 VAL 183 HB -0.12 0.09 0.02 -0.04 2.12 2.07 2vniA1 VAL 183 HG13 -0.09 -0.02 -0.21 -0.04 0.97 0.60 2vniA1 VAL 183 HG23 -0.36 -0.02 -0.02 -0.04 0.95 0.52 2vniA1 GLU 184 H -0.06 0.22 -0.20 -0.55 8.60 8.02 2vniA1 GLU 184 HA -0.01 -0.02 0.45 -0.75 4.29 3.97 2vniA1 GLU 184 HB2 -0.02 0.13 0.29 -0.04 2.09 2.45 2vniA1 GLU 184 HB3 -0.02 0.04 0.21 -0.04 1.99 2.18 2vniA1 GLU 184 HG2 0.00 -0.08 0.12 -0.04 2.34 2.34 2vniA1 GLU 184 HG3 -0.00 -0.03 0.08 -0.04 2.34 2.35 2vniA1 GLY 185 H 0.00 0.14 0.17 -0.55 8.43 8.19 2vniA1 GLY 185 HA2 -0.00 -0.06 0.38 -0.51 4.01 3.82 2vniA1 GLY 185 HA3 -0.01 0.19 0.70 -0.51 4.01 4.38 2vniA1 LYS 186 H -0.00 0.71 -0.43 -0.55 8.42 8.14 2vniA1 LYS 186 HA 0.03 0.18 0.93 -0.75 4.32 4.71 2vniA1 LYS 186 HB2 0.00 0.27 0.19 -0.04 1.87 2.29 2vniA1 LYS 186 HB3 0.18 -0.15 0.03 -0.04 1.79 1.81 2vniA1 LYS 186 HG2 0.12 0.21 0.19 -0.04 1.46 1.93 2vniA1 LYS 186 HG3 0.04 -0.07 0.13 -0.04 1.46 1.53 2vniA1 LYS 186 HD2 0.01 0.07 0.09 -0.04 1.69 1.83 2vniA1 LYS 186 HD3 0.14 -0.10 0.07 -0.04 1.68 1.75 2vniA1 LYS 186 HE2 0.04 -0.09 0.11 -0.04 2.99 3.01 2vniA1 LYS 186 HE3 0.05 -0.11 0.09 -0.04 2.99 2.98 2vniA1 LEU 187 H 0.03 0.33 0.12 -0.55 8.37 8.30 2vniA1 LEU 187 HA 0.05 0.24 1.01 -0.75 4.35 4.90 2vniA1 LEU 187 HB2 0.21 0.04 -0.05 -0.04 1.64 1.80 2vniA1 LEU 187 HB3 0.06 -0.08 -0.01 -0.04 1.64 1.56 2vniA1 LEU 187 HG 0.26 0.03 -0.07 -0.04 1.64 1.82 2vniA1 LEU 187 HD13 0.05 -0.04 -0.15 -0.04 0.93 0.75 2vniA1 LEU 187 HD23 0.05 -0.00 -0.15 -0.04 0.89 0.75 2vniA1 LYS 188 H -0.06 0.78 0.30 -0.55 8.42 8.89 2vniA1 LYS 188 HA 0.05 0.12 0.92 -0.75 4.32 4.65 2vniA1 LYS 188 HB2 -0.14 -0.08 0.09 -0.04 1.87 1.70 2vniA1 LYS 188 HB3 -0.03 0.02 -0.05 -0.04 1.79 1.69 2vniA1 LYS 188 HG2 -0.03 0.02 -0.31 -0.04 1.46 1.11 2vniA1 LYS 188 HG3 -0.10 0.06 -0.27 -0.04 1.46 1.11 2vniA1 LYS 188 HD2 -0.16 -0.06 -0.12 -0.04 1.69 1.31 2vniA1 LYS 188 HD3 -0.06 0.01 -0.07 -0.04 1.68 1.52 2vniA1 LYS 188 HE2 -0.03 -0.01 -0.08 -0.04 2.99 2.82 2vniA1 LYS 188 HE3 -0.07 0.03 -0.09 -0.04 2.99 2.82 2vniA1 TYR 189 H 0.20 0.21 0.11 -0.55 8.29 8.26 2vniA1 TYR 189 HA 0.07 0.09 0.81 -0.75 4.56 4.77 2vniA1 TYR 189 HB2 0.05 0.02 -0.01 -0.04 3.06 3.07 2vniA1 TYR 189 HB3 0.06 0.01 0.15 -0.04 2.98 3.17 2vniA1 TYR 189 HD2 0.07 0.04 -0.02 -0.04 7.15 7.21 2vniA1 TYR 189 HE2 0.09 -0.06 -0.10 -0.04 6.85 6.74 2vniA1 TYR 190 H 0.10 0.75 0.23 -0.55 8.29 8.83 2vniA1 TYR 190 HA -0.11 0.23 0.90 -0.75 4.56 4.82 2vniA1 TYR 190 HB2 -0.05 0.03 -0.22 -0.04 3.06 2.77 2vniA1 TYR 190 HB3 -0.03 -0.08 0.07 -0.04 2.98 2.90 2vniA1 TYR 190 HD2 -0.04 -0.02 -0.09 -0.04 7.15 6.96 2vniA1 TYR 190 HE2 -0.25 -0.02 -0.14 -0.04 6.85 6.40 2vniA1 PRO 191 HA -0.14 0.14 0.81 -0.51 4.44 4.74 2vniA1 PRO 191 HB2 -0.14 -0.03 -0.02 -0.04 2.28 2.05 2vniA1 PRO 191 HB3 -0.39 -0.03 0.04 -0.04 2.02 1.59 2vniA1 PRO 191 HG2 0.03 0.01 0.06 -0.04 2.03 2.09 2vniA1 PRO 191 HG3 -0.28 0.00 -0.01 -0.04 2.03 1.71 2vniA1 PRO 191 HD2 -0.38 0.22 0.06 -0.04 3.68 3.54 2vniA1 PRO 191 HD3 -1.78 0.05 -0.26 -0.04 3.65 1.62 2vniA1 THR 192 H -0.11 0.63 0.41 -0.55 8.28 8.67 2vniA1 THR 192 HA 0.01 0.39 0.80 -0.75 4.39 4.83 2vniA1 THR 192 HB -0.03 -0.11 -0.23 -0.04 4.32 3.91 2vniA1 THR 192 HG23 -0.25 0.01 -0.50 -0.04 1.22 0.44 2vniA1 THR 193 H 0.02 0.40 0.32 -0.55 8.28 8.47 2vniA1 THR 193 HA -0.11 0.32 0.89 -0.75 4.39 4.74 2vniA1 THR 193 HB -0.07 -0.11 -0.03 -0.04 4.32 4.07 2vniA1 THR 193 HG23 -0.37 -0.00 -0.41 -0.04 1.22 0.39 2vniA1 THR 194 H -0.04 0.18 0.34 -0.55 8.28 8.22 2vniA1 THR 194 HA 0.00 0.14 0.99 -0.75 4.39 4.76 2vniA1 THR 194 HB 0.01 0.01 0.08 -0.04 4.32 4.38 2vniA1 THR 194 HG23 0.01 -0.03 -0.34 -0.04 1.22 0.82 2vniA1 ARG 195 H -0.02 0.15 0.26 -0.55 8.46 8.30 2vniA1 ARG 195 HA 0.00 0.22 0.96 -0.75 4.34 4.77 2vniA1 ARG 195 HB2 -0.01 0.06 0.25 -0.04 1.90 2.16 2vniA1 ARG 195 HB3 -0.00 -0.01 0.04 -0.04 1.80 1.79 2vniA1 ARG 195 HG2 -0.00 -0.05 0.01 -0.04 1.67 1.58 2vniA1 ARG 195 HG3 0.00 0.07 0.05 -0.04 1.67 1.74 2vniA1 ARG 195 HD2 -0.00 0.14 -0.72 -0.04 3.22 2.59 2vniA1 ARG 195 HD3 -0.01 -0.14 -0.09 -0.04 3.22 2.95 2vniA1 GLU 196 H -0.01 0.26 0.30 -0.55 8.60 8.60 2vniA1 GLU 196 HA 0.02 0.09 0.52 -0.75 4.29 4.17 2vniA1 GLU 196 HB2 -0.01 -0.08 0.21 -0.04 2.09 2.17 2vniA1 GLU 196 HB3 -0.02 -0.08 0.13 -0.04 1.99 1.98 2vniA1 GLU 196 HG2 0.04 0.24 0.06 -0.04 2.34 2.64 2vniA1 GLU 196 HG3 0.02 0.02 0.12 -0.04 2.34 2.46 2vniA1 GLU 197 H 0.04 0.07 0.16 -0.55 8.60 8.33 2vniA1 GLU 197 HA 0.07 0.10 0.37 -0.75 4.29 4.08 2vniA1 GLU 197 HB2 0.04 -0.03 0.15 -0.04 2.09 2.22 2vniA1 GLU 197 HB3 0.07 -0.01 -0.02 -0.04 1.99 1.98 2vniA1 GLU 197 HG2 0.03 0.00 -0.02 -0.04 2.34 2.32 2vniA1 GLU 197 HG3 0.04 0.02 -0.03 -0.04 2.34 2.34 2vniA1 PHE 198 H 0.11 0.35 0.13 -0.55 8.34 8.38 2vniA1 PHE 198 HA 0.02 0.05 0.51 -0.75 4.62 4.44 2vniA1 PHE 198 HB2 -0.03 0.06 -0.44 -0.04 3.15 2.71 2vniA1 PHE 198 HB3 -0.08 0.07 -0.12 -0.04 3.06 2.88 2vniA1 PHE 198 HD2 -0.09 0.17 0.05 -0.04 7.28 7.37 2vniA1 PHE 198 HE2 -0.07 0.11 -0.06 -0.04 7.38 7.32 2vniA1 PHE 198 HZ 0.12 0.03 -0.04 -0.04 7.32 7.40 2vniA1 HIS 199 H -0.51 0.15 0.10 -0.55 8.41 7.61 2vniA1 HIS 199 HA -0.22 0.04 0.30 -0.75 4.63 4.00 2vniA1 HIS 199 HB2 -0.41 0.05 0.12 -0.04 3.26 2.98 2vniA1 HIS 199 HB3 -0.41 -0.04 0.13 -0.04 3.20 2.83 2vniA1 HIS 199 HD2 -1.67 -0.11 0.08 -0.04 6.97 5.23 2vniA1 HIS 199 HE1 -0.36 0.08 -0.02 -0.04 7.75 7.41 2vniA1 HIS 200 H -0.70 0.06 -0.46 -0.55 8.41 6.77 2vniA1 HIS 200 HA -0.22 0.14 0.83 -0.75 4.63 4.62 2vniA1 HIS 200 HB2 -0.68 0.07 0.12 -0.04 3.26 2.73 2vniA1 HIS 200 HB3 -0.51 0.04 -0.04 -0.04 3.20 2.65 2vniA1 HIS 200 HD2 -0.36 0.04 -0.04 -0.04 6.97 6.56 2vniA1 HIS 200 HE1 0.04 -0.01 0.01 -0.04 7.75 7.75 2vniA1 MET 201 H 0.01 0.16 0.11 -0.55 8.47 8.21 2vniA1 MET 201 HA 0.02 0.07 1.05 -0.75 4.52 4.91 2vniA1 MET 201 HB2 0.02 -0.03 0.01 -0.04 2.15 2.12 2vniA1 MET 201 HB3 0.02 -0.06 0.18 -0.04 2.03 2.13 2vniA1 MET 201 HG2 0.07 0.01 -0.11 -0.04 2.63 2.56 2vniA1 MET 201 HG3 0.05 0.11 -0.36 -0.04 2.56 2.31 2vniA1 MET 201 HE3 0.03 0.00 -0.29 -0.04 2.10 1.80 2vniA1 GLY 202 H 0.01 0.30 0.18 -0.55 8.43 8.38 2vniA1 GLY 202 HA2 0.02 -0.07 0.37 -0.51 4.01 3.82 2vniA1 GLY 202 HA3 0.02 0.19 0.64 -0.51 4.01 4.36 2vniA1 ARG 203 H 0.03 0.08 0.09 -0.55 8.46 8.11 2vniA1 ARG 203 HA 0.06 0.10 0.35 -0.75 4.34 4.10 2vniA1 ARG 203 HB2 0.05 -0.10 0.06 -0.04 1.90 1.87 2vniA1 ARG 203 HB3 0.10 -0.08 0.05 -0.04 1.80 1.82 2vniA1 ARG 203 HG2 0.06 0.03 -0.00 -0.04 1.67 1.71 2vniA1 ARG 203 HG3 0.04 0.04 0.06 -0.04 1.67 1.77 2vniA1 ARG 203 HD2 0.04 0.04 0.02 -0.04 3.22 3.28 2vniA1 ARG 203 HD3 0.07 -0.05 0.00 -0.04 3.22 3.20 2vniA1 ILE 204 H 0.18 0.12 0.07 -0.55 8.25 8.06 2vniA1 ILE 204 HA 0.09 0.20 0.26 -0.75 4.18 3.98 2vniA1 ILE 204 HB 0.32 -0.12 0.02 -0.04 1.89 2.07 2vniA1 ILE 204 HG12 0.21 -0.10 0.01 -0.04 1.49 1.56 2vniA1 ILE 204 HG13 0.35 0.02 -0.09 -0.04 1.21 1.45 2vniA1 ILE 204 HG23 0.06 0.03 -0.18 -0.04 0.93 0.81 2vniA1 ILE 204 HD13 0.17 0.05 -0.19 -0.04 0.88 0.86 2vniA1 THR 205 H 0.07 0.03 -0.16 -0.55 8.28 7.67 2vniA1 THR 205 HA -0.07 0.15 0.30 -0.75 4.39 4.01 2vniA1 THR 205 HB -0.04 0.12 -0.08 -0.04 4.32 4.27 2vniA1 THR 205 HG23 -0.14 0.01 -0.15 -0.04 1.22 0.90 2vniA1 ASP 206 H 0.01 0.00 -0.27 -0.55 8.40 7.59 2vniA1 ASP 206 HA -0.00 0.09 0.38 -0.75 4.63 4.33 2vniA1 ASP 206 HB2 0.01 0.02 0.05 -0.04 2.71 2.75 2vniA1 ASP 206 HB3 0.01 0.07 0.00 -0.04 2.70 2.73 2vniA1 ASN 207 H -0.00 0.57 -0.26 -0.55 8.53 8.30 2vniA1 ASN 207 HA -0.04 -0.00 0.43 -0.75 4.76 4.39 2vniA1 ASN 207 HB2 0.01 0.12 -0.03 -0.04 2.88 2.95 2vniA1 ASN 207 HB3 -0.04 -0.10 -0.01 -0.04 2.79 2.59 2vniA1 ASN 207 HD21 0.05 0.35 0.02 -0.04 7.03 7.41 2vniA1 ASN 207 HD22 0.12 -0.01 -0.32 -0.04 7.74 7.49 2vniA1 LEU 208 H -0.10 0.39 -0.38 -0.55 8.37 7.73 2vniA1 LEU 208 HA -0.53 0.05 0.59 -0.75 4.35 3.71 2vniA1 LEU 208 HB2 -0.13 0.06 0.11 -0.04 1.64 1.64 2vniA1 LEU 208 HB3 -0.17 0.04 -0.10 -0.04 1.64 1.37 2vniA1 LEU 208 HG -0.24 0.02 -0.10 -0.04 1.64 1.27 2vniA1 LEU 208 HD13 -0.29 -0.02 -0.16 -0.04 0.93 0.42 2vniA1 LEU 208 HD23 -0.77 0.00 -0.09 -0.04 0.89 -0.01 2vniA1 ALA 209 H -0.02 0.52 0.05 -0.55 8.40 8.40 2vniA1 ALA 209 HA 0.14 0.11 0.41 -0.75 4.34 4.25 2vniA1 ALA 209 HB3 0.01 -0.02 0.10 -0.04 1.41 1.45 2vniA1 SER 210 H 0.00 0.54 0.02 -0.55 8.46 8.48 2vniA1 SER 210 HA 0.04 0.10 0.44 -0.75 4.49 4.31 2vniA1 SER 210 HB2 0.02 -0.00 0.09 -0.04 3.95 4.01 2vniA1 SER 210 HB3 0.01 -0.01 0.12 -0.04 3.93 4.00 2vniA1 GLY 211 H -0.01 0.16 -0.77 -0.55 8.43 7.26 2vniA1 GLY 211 HA2 0.13 0.07 0.26 -0.51 4.01 3.96 2vniA1 GLY 211 HA3 0.22 0.17 0.49 -0.51 4.01 4.37 2vniA1 LYS 212 H -0.05 0.06 -0.28 -0.55 8.42 7.60 2vniA1 LYS 212 HA -0.01 0.09 0.33 -0.75 4.32 3.98 2vniA1 LYS 212 HB2 -0.01 0.01 0.04 -0.04 1.87 1.87 2vniA1 LYS 212 HB3 -0.04 -0.03 0.10 -0.04 1.79 1.78 2vniA1 LYS 212 HG2 -0.01 0.01 -0.18 -0.04 1.46 1.24 2vniA1 LYS 212 HG3 0.00 0.01 0.04 -0.04 1.46 1.47 2vniA1 LYS 212 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.62 2vniA1 LYS 212 HD3 0.01 0.03 -0.03 -0.04 1.68 1.66 2vniA1 LYS 212 HE2 0.02 0.01 0.00 -0.04 2.99 2.98 2vniA1 LYS 212 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 2vniA1 VAL 213 H -0.29 0.43 -0.10 -0.55 8.24 7.73 2vniA1 VAL 213 HA -0.43 0.06 0.34 -0.75 4.13 3.34 2vniA1 VAL 213 HB -0.44 -0.04 -0.07 -0.04 2.12 1.52 2vniA1 VAL 213 HG13 -0.70 0.08 -0.17 -0.04 0.97 0.14 2vniA1 VAL 213 HG23 -0.93 0.01 -0.17 -0.04 0.95 -0.18 2vniA1 PHE 214 H -0.51 0.14 -0.30 -0.55 8.34 7.12 2vniA1 PHE 214 HA 0.03 0.06 0.27 -0.75 4.62 4.23 2vniA1 PHE 214 HB2 -0.00 0.08 0.03 -0.04 3.15 3.23 2vniA1 PHE 214 HB3 0.02 0.25 -0.14 -0.04 3.06 3.15 2vniA1 PHE 214 HD2 0.11 0.05 -0.05 -0.04 7.28 7.35 2vniA1 PHE 214 HE2 -0.32 0.09 -0.01 -0.04 7.38 7.09 2vniA1 PHE 214 HZ -0.98 -0.00 0.01 -0.04 7.32 6.30 2vniA1 GLU 215 H 0.06 0.35 -0.32 -0.55 8.60 8.14 2vniA1 GLU 215 HA 0.07 0.04 0.43 -0.75 4.29 4.08 2vniA1 GLU 215 HB2 0.06 -0.00 0.08 -0.04 2.09 2.19 2vniA1 GLU 215 HB3 0.02 0.16 0.25 -0.04 1.99 2.38 2vniA1 GLU 215 HG2 0.04 0.02 -0.32 -0.04 2.34 2.04 2vniA1 GLU 215 HG3 0.04 -0.04 -0.01 -0.04 2.34 2.29 2vniA1 ASP 216 H -0.03 0.69 0.11 -0.55 8.40 8.63 2vniA1 ASP 216 HA 0.05 0.01 0.36 -0.75 4.63 4.29 2vniA1 ASP 216 HB2 -0.01 0.01 0.05 -0.04 2.71 2.72 2vniA1 ASP 216 HB3 0.05 -0.02 0.01 -0.04 2.70 2.70 2vniA1 LEU 217 H -0.04 0.40 -0.45 -0.55 8.37 7.74 2vniA1 LEU 217 HA 0.03 0.11 0.66 -0.75 4.35 4.39 2vniA1 LEU 217 HB2 -0.05 0.07 -0.06 -0.04 1.64 1.56 2vniA1 LEU 217 HB3 -0.06 -0.03 -0.00 -0.04 1.64 1.51 2vniA1 LEU 217 HG -0.28 0.02 -0.09 -0.04 1.64 1.25 2vniA1 LEU 217 HD13 -0.26 -0.03 -0.17 -0.04 0.93 0.43 2vniA1 LEU 217 HD23 0.09 -0.00 -0.17 -0.04 0.89 0.77 2vniA1 GLY 218 H 0.03 0.33 -0.37 -0.55 8.43 7.88 2vniA1 GLY 218 HA2 0.04 0.00 0.34 -0.51 4.01 3.88 2vniA1 GLY 218 HA3 0.02 -0.04 0.37 -0.51 4.01 3.86 2vniA1 ILE 219 H 0.08 0.63 0.11 -0.55 8.25 8.51 2vniA1 ILE 219 HA 0.02 0.14 0.85 -0.75 4.18 4.43 2vniA1 ILE 219 HB 0.04 -0.05 0.04 -0.04 1.89 1.87 2vniA1 ILE 219 HG12 0.16 0.01 -0.03 -0.04 1.49 1.59 2vniA1 ILE 219 HG13 0.27 0.15 -0.33 -0.04 1.21 1.26 2vniA1 ILE 219 HG23 -0.03 0.02 -0.36 -0.04 0.93 0.52 2vniA1 ILE 219 HD13 0.12 -0.03 -0.17 -0.04 0.88 0.76 2vniA1 ALA 220 H 0.01 0.08 0.11 -0.55 8.40 8.05 2vniA1 ALA 220 HA -0.04 0.06 0.45 -0.75 4.34 4.06 2vniA1 ALA 220 HB3 -0.03 -0.01 0.08 -0.04 1.41 1.41 2vniA1 PRO 221 HA -1.52 0.02 0.35 -0.51 4.44 2.78 2vniA1 PRO 221 HB2 -0.18 0.06 -0.03 -0.04 2.28 2.09 2vniA1 PRO 221 HB3 -0.28 0.02 0.16 -0.04 2.02 1.87 2vniA1 PRO 221 HG2 -0.08 0.02 0.07 -0.04 2.03 2.00 2vniA1 PRO 221 HG3 -0.15 0.04 0.10 -0.04 2.03 1.98 2vniA1 PRO 221 HD2 -0.10 0.07 0.13 -0.04 3.68 3.74 2vniA1 PRO 221 HD3 -0.09 0.11 0.21 -0.04 3.65 3.84 2vniA1 MET 222 H -0.99 0.09 0.16 -0.55 8.47 7.18 2vniA1 MET 222 HA -0.17 0.10 0.59 -0.75 4.52 4.28 2vniA1 MET 222 HB2 -0.62 -0.02 0.06 -0.04 2.15 1.52 2vniA1 MET 222 HB3 -0.86 0.02 0.10 -0.04 2.03 1.24 2vniA1 MET 222 HG2 -0.23 0.02 -0.19 -0.04 2.63 2.19 2vniA1 MET 222 HG3 -0.38 0.01 -0.05 -0.04 2.56 2.09 2vniA1 MET 222 HE3 -1.69 -0.00 -0.13 -0.04 2.10 0.24 2vniA1 ASN 223 H -0.02 0.16 0.17 -0.55 8.53 8.29 2vniA1 ASN 223 HA 0.03 0.40 0.69 -0.75 4.76 5.12 2vniA1 ASN 223 HB2 0.01 -0.02 0.08 -0.04 2.88 2.91 2vniA1 ASN 223 HB3 -0.01 0.14 -0.18 -0.04 2.79 2.70 2vniA1 ASN 223 HD21 0.02 0.05 -0.00 -0.04 7.03 7.05 2vniA1 ASN 223 HD22 0.01 0.01 -0.02 -0.04 7.74 7.70 2vniA1 PRO 224 HA 0.05 0.11 0.30 -0.51 4.44 4.39 2vniA1 PRO 224 HB2 0.02 -0.01 -0.02 -0.04 2.28 2.23 2vniA1 PRO 224 HB3 0.03 0.08 0.00 -0.04 2.02 2.09 2vniA1 PRO 224 HG2 0.03 0.06 0.11 -0.04 2.03 2.18 2vniA1 PRO 224 HG3 0.05 -0.21 -0.50 -0.04 2.03 1.33 2vniA1 PRO 224 HD2 0.02 0.04 0.18 -0.04 3.68 3.88 2vniA1 PRO 224 HD3 0.04 0.50 0.33 -0.04 3.65 4.48 2vniA1 GLU 225 H 0.03 0.01 -0.44 -0.55 8.60 7.65 2vniA1 GLU 225 HA 0.03 0.13 0.47 -0.75 4.29 4.16 2vniA1 GLU 225 HB2 0.02 -0.04 0.06 -0.04 2.09 2.09 2vniA1 GLU 225 HB3 0.02 -0.02 0.02 -0.04 1.99 1.97 2vniA1 GLU 225 HG2 0.01 -0.04 -0.01 -0.04 2.34 2.27 2vniA1 GLU 225 HG3 0.02 0.03 -0.05 -0.04 2.34 2.30 2vniA1 THR 226 H 0.05 0.22 0.05 -0.55 8.28 8.05 2vniA1 THR 226 HA 0.07 0.24 1.17 -0.75 4.39 5.12 2vniA1 THR 226 HB 0.06 -0.08 0.15 -0.04 4.32 4.42 2vniA1 THR 226 HG23 0.03 -0.00 -0.07 -0.04 1.22 1.13 2vniA1 ASP 227 H 0.09 0.51 0.17 -0.55 8.40 8.61 2vniA1 ASP 227 HA 0.21 0.34 1.09 -0.75 4.63 5.52 2vniA1 ASP 227 HB2 0.05 -0.07 -0.02 -0.04 2.71 2.62 2vniA1 ASP 227 HB3 0.14 0.02 -0.07 -0.04 2.70 2.76 2vniA1 ARG 228 H 0.20 0.67 0.50 -0.55 8.46 9.28 2vniA1 ARG 228 HA 0.13 0.32 0.98 -0.75 4.34 5.02 2vniA1 ARG 228 HB2 -0.12 -0.10 0.07 -0.04 1.90 1.72 2vniA1 ARG 228 HB3 0.11 0.00 0.08 -0.04 1.80 1.95 2vniA1 ARG 228 HG2 0.26 -0.13 -0.49 -0.04 1.67 1.28 2vniA1 ARG 228 HG3 0.57 0.09 -0.20 -0.04 1.67 2.08 2vniA1 ARG 228 HD2 0.17 -0.03 0.12 -0.04 3.22 3.44 2vniA1 ARG 228 HD3 0.13 0.01 0.15 -0.04 3.22 3.47 2vniA1 ALA 229 H 0.16 0.65 0.47 -0.55 8.40 9.13 2vniA1 ALA 229 HA 0.13 0.27 1.03 -0.75 4.34 5.02 2vniA1 ALA 229 HB3 0.01 -0.03 -0.11 -0.04 1.41 1.23 2vniA1 MET 230 H 0.16 0.58 0.33 -0.55 8.47 8.98 2vniA1 MET 230 HA 0.22 0.25 0.93 -0.75 4.52 5.17 2vniA1 MET 230 HB2 0.33 -0.02 0.13 -0.04 2.15 2.55 2vniA1 MET 230 HB3 0.45 -0.04 -0.04 -0.04 2.03 2.35 2vniA1 MET 230 HG2 0.23 0.05 -0.16 -0.04 2.63 2.71 2vniA1 MET 230 HG3 0.27 0.04 -0.33 -0.04 2.56 2.49 2vniA1 MET 230 HE3 0.17 -0.01 -0.57 -0.04 2.10 1.65 2vniA1 VAL 231 H 0.19 0.55 0.40 -0.55 8.24 8.83 2vniA1 VAL 231 HA 0.22 0.29 1.15 -0.75 4.13 5.03 2vniA1 VAL 231 HB 0.03 -0.10 0.10 -0.04 2.12 2.11 2vniA1 VAL 231 HG13 -0.02 -0.03 -0.11 -0.04 0.97 0.78 2vniA1 VAL 231 HG23 -0.11 0.04 -0.25 -0.04 0.95 0.58 2vniA1 CYS 232 H 0.41 0.77 0.34 -0.55 8.50 9.47 2vniA1 CYS 232 HA 0.11 0.29 0.94 -0.75 4.58 5.16 2vniA1 CYS 232 HB2 0.05 0.02 -0.18 -0.04 2.97 2.82 2vniA1 CYS 232 HB3 0.19 0.11 0.20 -0.04 2.97 3.43 2vniA1 GLY 233 H 0.06 0.39 0.26 -0.55 8.43 8.61 2vniA1 GLY 233 HA2 -0.20 0.12 0.62 -0.51 4.01 4.04 2vniA1 GLY 233 HA3 -0.33 -0.01 0.42 -0.51 4.01 3.58 2vniA1 SER 234 H -0.19 0.12 0.18 -0.55 8.46 8.02 2vniA1 SER 234 HA -0.86 0.18 0.55 -0.75 4.49 3.60 2vniA1 SER 234 HB2 -0.04 0.12 0.20 -0.04 3.95 4.19 2vniA1 SER 234 HB3 0.00 0.11 0.13 -0.04 3.93 4.13 2vniA1 LEU 235 H -0.14 0.30 0.25 -0.55 8.37 8.24 2vniA1 LEU 235 HA -0.04 0.12 0.46 -0.75 4.35 4.14 2vniA1 LEU 235 HB2 -0.04 0.06 0.21 -0.04 1.64 1.82 2vniA1 LEU 235 HB3 -0.01 -0.02 0.18 -0.04 1.64 1.75 2vniA1 LEU 235 HG -0.01 0.00 -0.22 -0.04 1.64 1.37 2vniA1 LEU 235 HD13 -0.01 0.01 0.05 -0.04 0.93 0.93 2vniA1 LEU 235 HD23 -0.00 0.02 0.02 -0.04 0.89 0.88 2vniA1 ALA 236 H 0.02 0.12 -0.08 -0.55 8.40 7.92 2vniA1 ALA 236 HA 0.01 0.13 0.37 -0.75 4.34 4.10 2vniA1 ALA 236 HB3 0.05 0.03 0.05 -0.04 1.41 1.50 2vniA1 PHE 237 H 0.16 0.00 -0.36 -0.55 8.34 7.59 2vniA1 PHE 237 HA -0.02 0.05 0.36 -0.75 4.62 4.26 2vniA1 PHE 237 HB2 -0.01 -0.02 0.08 -0.04 3.15 3.16 2vniA1 PHE 237 HB3 -0.06 0.08 0.08 -0.04 3.06 3.12 2vniA1 PHE 237 HD2 -0.02 -0.02 -0.12 -0.04 7.28 7.08 2vniA1 PHE 237 HE2 0.02 -0.01 -0.17 -0.04 7.38 7.18 2vniA1 PHE 237 HZ 0.03 0.08 -0.32 -0.04 7.32 7.07 2vniA1 ASN 238 H 0.11 0.60 -0.19 -0.55 8.53 8.50 2vniA1 ASN 238 HA -0.22 0.00 0.25 -0.75 4.76 4.04 2vniA1 ASN 238 HB2 -0.01 0.11 0.13 -0.04 2.88 3.06 2vniA1 ASN 238 HB3 -0.03 0.01 -0.10 -0.04 2.79 2.63 2vniA1 ASN 238 HD21 -0.00 0.28 -0.65 -0.04 7.03 6.61 2vniA1 ASN 238 HD22 -0.01 -0.03 -0.25 -0.04 7.74 7.42 2vniA1 VAL 239 H -0.05 0.54 -0.23 -0.55 8.24 7.95 2vniA1 VAL 239 HA -0.06 0.04 0.40 -0.75 4.13 3.76 2vniA1 VAL 239 HB -0.03 0.05 0.16 -0.04 2.12 2.25 2vniA1 VAL 239 HG13 -0.03 0.00 -0.15 -0.04 0.97 0.75 2vniA1 VAL 239 HG23 -0.02 0.02 0.01 -0.04 0.95 0.92 2vniA1 ASP 240 H -0.10 0.56 -0.03 -0.55 8.40 8.29 2vniA1 ASP 240 HA -0.08 0.05 0.39 -0.75 4.63 4.23 2vniA1 ASP 240 HB2 -0.11 0.02 0.13 -0.04 2.71 2.70 2vniA1 ASP 240 HB3 -0.08 -0.06 0.02 -0.04 2.70 2.54 2vniA1 VAL 241 H -0.37 0.65 -0.23 -0.55 8.24 7.75 2vniA1 VAL 241 HA -0.29 -0.01 0.42 -0.75 4.13 3.50 2vniA1 VAL 241 HB -0.57 0.10 0.01 -0.04 2.12 1.62 2vniA1 VAL 241 HG13 -0.34 0.00 -0.22 -0.04 0.97 0.37 2vniA1 VAL 241 HG23 -1.09 -0.01 -0.11 -0.04 0.95 -0.30 2vniA1 MET 242 H -0.25 0.58 -0.13 -0.55 8.47 8.13 2vniA1 MET 242 HA -0.56 0.01 0.32 -0.75 4.52 3.54 2vniA1 MET 242 HB2 -0.10 0.14 0.17 -0.04 2.15 2.31 2vniA1 MET 242 HB3 -0.03 -0.02 -0.02 -0.04 2.03 1.91 2vniA1 MET 242 HG2 -0.29 -0.05 -0.05 -0.04 2.63 2.20 2vniA1 MET 242 HG3 -0.16 0.27 0.03 -0.04 2.56 2.65 2vniA1 MET 242 HE3 -0.01 -0.01 -0.23 -0.04 2.10 1.80 2vniA1 LYS 243 H -0.12 0.42 -0.23 -0.55 8.42 7.94 2vniA1 LYS 243 HA -0.04 0.04 0.37 -0.75 4.32 3.94 2vniA1 LYS 243 HB2 -0.07 0.09 0.13 -0.04 1.87 1.98 2vniA1 LYS 243 HB3 -0.05 0.01 -0.07 -0.04 1.79 1.63 2vniA1 LYS 243 HG2 -0.03 -0.04 -0.00 -0.04 1.46 1.34 2vniA1 LYS 243 HG3 -0.03 0.01 0.01 -0.04 1.46 1.41 2vniA1 LYS 243 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.56 2vniA1 LYS 243 HD3 -0.03 0.08 0.01 -0.04 1.68 1.69 2vniA1 LYS 243 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.94 2vniA1 LYS 243 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2vniA1 VAL 244 H -0.12 0.32 -0.25 -0.55 8.24 7.65 2vniA1 VAL 244 HA -0.03 0.06 0.40 -0.75 4.13 3.81 2vniA1 VAL 244 HB -0.12 0.08 0.11 -0.04 2.12 2.15 2vniA1 VAL 244 HG13 0.06 -0.00 -0.17 -0.04 0.97 0.81 2vniA1 VAL 244 HG23 -0.06 0.02 0.05 -0.04 0.95 0.92 2vniA1 LEU 245 H -0.18 0.53 -0.18 -0.55 8.37 7.99 2vniA1 LEU 245 HA -0.04 0.04 0.34 -0.75 4.35 3.94 2vniA1 LEU 245 HB2 -0.51 0.10 0.07 -0.04 1.64 1.26 2vniA1 LEU 245 HB3 -0.18 -0.04 -0.13 -0.04 1.64 1.25 2vniA1 LEU 245 HG -0.37 0.17 -0.09 -0.04 1.64 1.31 2vniA1 LEU 245 HD13 -0.66 -0.02 -0.21 -0.04 0.93 -0.01 2vniA1 LEU 245 HD23 -0.28 -0.01 -0.15 -0.04 0.89 0.40 2vniA1 GLU 246 H -0.02 0.63 -0.10 -0.55 8.60 8.56 2vniA1 GLU 246 HA 0.14 0.33 0.48 -0.75 4.29 4.48 2vniA1 GLU 246 HB2 0.03 0.03 0.08 -0.04 2.09 2.19 2vniA1 GLU 246 HB3 0.07 -0.05 0.08 -0.04 1.99 2.05 2vniA1 GLU 246 HG2 0.32 0.07 0.06 -0.04 2.34 2.75 2vniA1 GLU 246 HG3 0.15 0.26 0.07 -0.04 2.34 2.79 2vniA1 SER 247 H -0.01 0.32 -0.52 -0.55 8.46 7.71 2vniA1 SER 247 HA -0.07 0.04 0.53 -0.75 4.49 4.23 2vniA1 SER 247 HB2 -0.14 -0.09 0.13 -0.04 3.95 3.81 2vniA1 SER 247 HB3 -0.08 0.13 0.14 -0.04 3.93 4.09 2vniA1 TYR 248 H 0.09 0.31 -0.53 -0.55 8.29 7.62 2vniA1 TYR 248 HA -0.04 0.18 0.90 -0.75 4.56 4.85 2vniA1 TYR 248 HB2 -0.07 0.09 0.09 -0.04 3.06 3.13 2vniA1 TYR 248 HB3 -0.08 -0.03 -0.01 -0.04 2.98 2.82 2vniA1 TYR 248 HD2 -0.09 0.24 0.06 -0.04 7.15 7.31 2vniA1 TYR 248 HE2 -0.04 -0.08 -0.06 -0.04 6.85 6.63 2vniA1 GLY 249 H 0.05 0.23 -0.26 -0.55 8.43 7.91 2vniA1 GLY 249 HA2 0.03 0.02 0.31 -0.51 4.01 3.86 2vniA1 GLY 249 HA3 0.04 0.14 0.88 -0.51 4.01 4.56 2vniA1 LEU 250 H 0.11 0.25 -0.07 -0.55 8.37 8.11 2vniA1 LEU 250 HA 0.07 0.11 0.56 -0.75 4.35 4.34 2vniA1 LEU 250 HB2 0.22 0.00 -0.13 -0.04 1.64 1.69 2vniA1 LEU 250 HB3 0.31 -0.05 -0.10 -0.04 1.64 1.76 2vniA1 LEU 250 HG 0.08 0.13 -0.08 -0.04 1.64 1.72 2vniA1 LEU 250 HD13 0.03 -0.04 -0.28 -0.04 0.93 0.60 2vniA1 LEU 250 HD23 0.05 -0.02 -0.28 -0.04 0.89 0.60 2vniA1 ARG 251 H -0.05 0.14 0.26 -0.55 8.46 8.25 2vniA1 ARG 251 HA -0.11 0.18 0.95 -0.75 4.34 4.61 2vniA1 ARG 251 HB2 -0.12 -0.02 0.08 -0.04 1.90 1.80 2vniA1 ARG 251 HB3 -0.13 0.02 0.11 -0.04 1.80 1.76 2vniA1 ARG 251 HG2 -0.02 0.01 -0.06 -0.04 1.67 1.56 2vniA1 ARG 251 HG3 -0.01 0.10 -0.34 -0.04 1.67 1.38 2vniA1 ARG 251 HD2 -0.03 -0.03 0.01 -0.04 3.22 3.13 2vniA1 ARG 251 HD3 -0.01 0.01 -0.00 -0.04 3.22 3.17 2vniA1 GLU 252 H -0.46 0.11 0.17 -0.55 8.60 7.87 2vniA1 GLU 252 HA -1.33 0.18 0.61 -0.75 4.29 2.99 2vniA1 GLU 252 HB2 -0.23 -0.07 0.10 -0.04 2.09 1.85 2vniA1 GLU 252 HB3 -0.18 -0.03 0.16 -0.04 1.99 1.90 2vniA1 GLU 252 HG2 -0.07 0.05 -0.09 -0.04 2.34 2.18 2vniA1 GLU 252 HG3 -0.07 0.12 0.19 -0.04 2.34 2.53 2vniA1 GLY 253 H -0.22 0.64 0.47 -0.55 8.43 8.78 2vniA1 GLY 253 HA2 -0.09 0.28 0.96 -0.51 4.01 4.65 2vniA1 GLY 253 HA3 -0.07 -0.07 0.47 -0.51 4.01 3.83 2vniA1 ALA 254 H -0.01 0.49 -0.02 -0.55 8.40 8.31 2vniA1 ALA 254 HA 0.02 0.13 0.61 -0.75 4.34 4.34 2vniA1 ALA 254 HB3 0.01 -0.02 0.01 -0.04 1.41 1.37 2vniA1 ASN 255 H 0.02 0.12 0.14 -0.55 8.53 8.27 2vniA1 ASN 255 HA 0.03 0.21 0.34 -0.75 4.76 4.58 2vniA1 ASN 255 HB2 0.03 -0.03 0.09 -0.04 2.88 2.93 2vniA1 ASN 255 HB3 0.02 -0.02 0.02 -0.04 2.79 2.76 2vniA1 ASN 255 HD21 0.02 0.01 -0.04 -0.04 7.03 6.97 2vniA1 ASN 255 HD22 0.01 -0.03 -0.10 -0.04 7.74 7.58 2vniA1 SER 256 H 0.01 -0.08 -0.24 -0.55 8.46 7.60 2vniA1 SER 256 HA 0.01 0.17 0.62 -0.75 4.49 4.54 2vniA1 SER 256 HB2 0.00 0.04 0.02 -0.04 3.95 3.97 2vniA1 SER 256 HB3 0.01 -0.04 0.03 -0.04 3.93 3.89 2vniA1 GLU 257 H 0.00 -0.10 -0.30 -0.55 8.60 7.65 2vniA1 GLU 257 HA -0.00 0.25 0.78 -0.75 4.29 4.56 2vniA1 GLU 257 HB2 -0.01 -0.00 -0.09 -0.04 2.09 1.94 2vniA1 GLU 257 HB3 -0.01 -0.12 0.10 -0.04 1.99 1.92 2vniA1 GLU 257 HG2 -0.02 -0.07 0.03 -0.04 2.34 2.24 2vniA1 GLU 257 HG3 -0.02 0.11 -0.05 -0.04 2.34 2.34 2vniA1 PRO 258 HA 0.01 0.14 0.40 -0.51 4.44 4.48 2vniA1 PRO 258 HB2 0.02 -0.04 -0.12 -0.04 2.28 2.09 2vniA1 PRO 258 HB3 0.03 0.04 -0.48 -0.04 2.02 1.57 2vniA1 PRO 258 HG2 0.02 0.01 -0.03 -0.04 2.03 1.98 2vniA1 PRO 258 HG3 0.02 0.14 0.01 -0.04 2.03 2.17 2vniA1 PRO 258 HD2 0.00 0.06 0.03 -0.04 3.68 3.73 2vniA1 PRO 258 HD3 0.01 0.10 -0.58 -0.04 3.65 3.14 2vniA1 ARG 259 H -0.01 0.24 0.21 -0.55 8.46 8.36 2vniA1 ARG 259 HA -0.02 0.20 0.79 -0.75 4.34 4.56 2vniA1 ARG 259 HB2 -0.15 -0.06 -0.23 -0.04 1.90 1.42 2vniA1 ARG 259 HB3 -0.12 -0.21 0.12 -0.04 1.80 1.55 2vniA1 ARG 259 HG2 -0.05 0.18 -0.44 -0.04 1.67 1.32 2vniA1 ARG 259 HG3 -0.10 0.29 -0.02 -0.04 1.67 1.80 2vniA1 ARG 259 HD2 -0.07 -0.11 0.00 -0.04 3.22 3.00 2vniA1 ARG 259 HD3 -0.04 0.05 0.09 -0.04 3.22 3.28 2vniA1 GLU 260 H -0.11 0.27 0.29 -0.55 8.60 8.50 2vniA1 GLU 260 HA 0.07 0.28 0.97 -0.75 4.29 4.86 2vniA1 GLU 260 HB2 0.01 -0.31 0.31 -0.04 2.09 2.06 2vniA1 GLU 260 HB3 0.10 0.08 0.18 -0.04 1.99 2.31 2vniA1 GLU 260 HG2 0.05 -0.05 0.15 -0.04 2.34 2.45 2vniA1 GLU 260 HG3 0.05 0.24 0.07 -0.04 2.34 2.66 2vniA1 PHE 261 H -0.29 0.39 0.30 -0.55 8.34 8.19 2vniA1 PHE 261 HA 0.05 0.37 0.86 -0.75 4.62 5.15 2vniA1 PHE 261 HB2 0.02 0.01 -0.01 -0.04 3.15 3.13 2vniA1 PHE 261 HB3 0.00 0.00 -0.25 -0.04 3.06 2.78 2vniA1 PHE 261 HD2 0.00 0.02 -0.53 -0.04 7.28 6.73 2vniA1 PHE 261 HE2 -0.01 0.09 -0.26 -0.04 7.38 7.15 2vniA1 PHE 261 HZ -0.01 0.00 -0.07 -0.04 7.32 7.19 2vniA1 VAL 262 H 0.30 0.57 0.36 -0.55 8.24 8.92 2vniA1 VAL 262 HA 0.20 0.11 0.84 -0.75 4.13 4.52 2vniA1 VAL 262 HB 0.12 0.01 0.04 -0.04 2.12 2.25 2vniA1 VAL 262 HG13 0.08 0.04 -0.22 -0.04 0.97 0.82 2vniA1 VAL 262 HG23 0.16 -0.00 -0.03 -0.04 0.95 1.05 2vniA1 VAL 263 H 0.15 0.23 0.22 -0.55 8.24 8.29 2vniA1 VAL 263 HA 0.13 0.24 1.14 -0.75 4.13 4.89 2vniA1 VAL 263 HB 0.05 -0.04 0.06 -0.04 2.12 2.15 2vniA1 VAL 263 HG13 0.09 0.02 -0.27 -0.04 0.97 0.77 2vniA1 VAL 263 HG23 0.07 -0.01 -0.17 -0.04 0.95 0.79 2vniA1 GLU 264 H 0.07 0.58 0.33 -0.55 8.60 9.02 2vniA1 GLU 264 HA 0.01 0.05 0.72 -0.75 4.29 4.32 2vniA1 GLU 264 HB2 0.04 -0.02 -0.22 -0.04 2.09 1.85 2vniA1 GLU 264 HB3 -0.02 0.06 0.01 -0.04 1.99 2.00 2vniA1 GLU 264 HG2 -0.11 0.20 -0.05 -0.04 2.34 2.33 2vniA1 GLU 264 HG3 0.01 -0.06 0.14 -0.04 2.34 2.40 2vniA1 LYS 265 H -0.06 0.12 0.14 -0.55 8.42 8.06 2vniA1 LYS 265 HA -0.13 0.11 0.58 -0.75 4.32 4.12 2vniA1 LYS 265 HB2 -0.11 0.00 0.14 -0.04 1.87 1.87 2vniA1 LYS 265 HB3 -0.17 0.04 -0.07 -0.04 1.79 1.55 2vniA1 LYS 265 HG2 -0.13 -0.07 0.09 -0.04 1.46 1.32 2vniA1 LYS 265 HG3 -0.06 0.01 0.06 -0.04 1.46 1.43 2vniA1 LYS 265 HD2 -0.08 0.06 0.04 -0.04 1.69 1.67 2vniA1 LYS 265 HD3 -0.05 -0.07 0.11 -0.04 1.68 1.62 2vniA1 LYS 265 HE2 -0.03 -0.01 0.03 -0.04 2.99 2.95 2vniA1 LYS 265 HE3 -0.03 0.03 0.04 -0.04 2.99 3.00 2vniA1 ALA 266 H -0.34 0.78 0.35 -0.55 8.40 8.65 2vniA1 ALA 266 HA -0.16 0.15 0.46 -0.75 4.34 4.03 2vniA1 ALA 266 HB3 -0.23 -0.05 -0.10 -0.04 1.41 0.99 2vniA1 PHE 267 H -0.56 0.20 -0.03 -0.55 8.34 7.40 2vniA1 PHE 267 HA -0.15 0.16 0.38 -0.75 4.62 4.26 2vniA1 PHE 267 HB2 -0.09 0.02 0.07 -0.04 3.15 3.11 2vniA1 PHE 267 HB3 -0.13 0.16 -0.02 -0.04 3.06 3.02 2vniA1 PHE 267 HD2 -0.07 0.12 -0.51 -0.04 7.28 6.77 2vniA1 PHE 267 HE2 -0.05 0.05 -0.33 -0.04 7.38 7.01 2vniA1 PHE 267 HZ -0.04 0.05 -0.07 -0.04 7.32 7.22 2vniA1 VAL 268 H 0.12 0.19 0.15 -0.55 8.24 8.15 2vniA1 VAL 268 HA 0.02 0.12 0.87 -0.75 4.13 4.39 2vniA1 VAL 268 HB 0.03 0.01 0.14 -0.04 2.12 2.26 2vniA1 VAL 268 HG13 0.02 0.01 -0.03 -0.04 0.97 0.93 2vniA1 VAL 268 HG23 -0.02 0.02 0.01 -0.04 0.95 0.92 2vniA1 GLY 269 H 0.07 0.12 0.21 -0.55 8.43 8.28 2vniA1 GLY 269 HA2 0.07 0.08 0.37 -0.51 4.01 4.01 2vniA1 GLY 269 HA3 0.09 0.18 0.81 -0.51 4.01 4.58 2vniA1 GLU 270 H 0.07 0.20 0.17 -0.55 8.60 8.49 2vniA1 GLU 270 HA 0.15 0.02 0.64 -0.75 4.29 4.34 2vniA1 GLU 270 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 2vniA1 GLU 270 HB3 0.05 0.08 0.12 -0.04 1.99 2.21 2vniA1 GLU 270 HG2 0.06 -0.05 0.05 -0.04 2.34 2.36 2vniA1 GLU 270 HG3 0.04 -0.05 0.05 -0.04 2.34 2.34 2vniA1 GLY 271 H 0.02 0.01 -0.20 -0.55 8.43 7.71 2vniA1 GLY 271 HA2 -0.56 -0.01 0.27 -0.51 4.01 3.19 2vniA1 GLY 271 HA3 -0.37 0.09 0.48 -0.51 4.01 3.70 2vniA1 ILE 272 H -0.31 0.08 0.03 -0.55 8.25 7.50 2vniA1 ILE 272 HA -0.08 0.19 0.35 -0.75 4.18 3.89 2vniA1 ILE 272 HB -0.08 0.07 0.09 -0.04 1.89 1.94 2vniA1 ILE 272 HG12 -0.13 0.07 0.04 -0.04 1.49 1.43 2vniA1 ILE 272 HG13 -0.24 -0.13 0.12 -0.04 1.21 0.92 2vniA1 ILE 272 HG23 -0.09 0.01 0.00 -0.04 0.93 0.82 2vniA1 ILE 272 HD13 -0.10 0.01 0.06 -0.04 0.88 0.80