============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.650 -5.967 35.476 -99.200 -91.000 TYR 15 0.840 20.595 -8.574 27.442 -99.200 -91.000 PHE 38 1.000 21.354 3.454 20.136 -99.200 -91.000 HIS 45 0.900 35.402 -7.293 21.250 -99.200 -91.000 PHE 47 1.000 35.508 -10.895 25.207 -99.200 -91.000 HIS 49 0.900 27.328 -14.162 21.255 -99.200 -91.000 TYR 51 0.840 29.945 -6.807 12.662 -99.200 -91.000 TYR 52 0.840 24.387 0.468 12.623 -99.200 -91.000 TYR 60 0.840 25.722 5.231 9.090 -99.200 -91.000 TYR 68 0.840 38.514 8.175 24.589 -99.200 -91.000 TYR 71 0.840 31.072 4.132 28.740 -99.200 -91.000 TRP 76 1.040 32.137 3.186 23.543 -99.200 -91.000 TRP6 76 1.020 31.450 4.918 22.097 -99.200 -91.000 HIS 89 0.900 9.564 -7.823 22.860 -99.200 -91.000 PHE 108 1.000 31.262 -0.501 25.842 -99.200 -91.000 PHE 109 1.000 31.526 -4.044 22.391 -99.200 -91.000 TRP 115 1.040 25.925 -5.943 27.623 -99.200 -91.000 TRP6 115 1.020 27.682 -4.478 27.037 -99.200 -91.000 TYR 123 0.840 18.394 14.743 32.309 -99.200 -91.000 PHE 136 1.000 16.218 5.845 21.555 -99.200 -91.000 PHE 137 1.000 13.061 8.788 27.481 -99.200 -91.000 HIS 145 0.900 1.828 12.039 19.114 -99.200 -91.000 PHE 150 1.000 14.587 6.362 31.879 -99.200 -91.000 HIS 166 0.900 -0.176 2.461 39.460 -99.200 -91.000 TYR 169 0.840 4.341 1.342 42.330 -99.200 -91.000 TRP 174 1.040 7.879 7.359 50.317 -99.200 -91.000 TRP6 174 1.020 7.396 9.239 51.662 -99.200 -91.000 TYR 175 0.840 7.691 10.485 42.385 -99.200 -91.000 TRP 182 1.040 25.253 16.522 36.449 -99.200 -91.000 TRP6 182 1.020 27.589 16.732 36.717 -99.200 -91.000 TYR 183 0.840 27.438 12.104 35.312 -99.200 -91.000 TYR 184 0.840 18.383 10.267 34.584 -99.200 -91.000 TYR 205 0.840 26.472 10.944 54.592 -99.200 -91.000 TYR 207 0.840 34.879 15.127 47.236 -99.200 -91.000 PHE 226 1.000 35.175 1.178 50.643 -99.200 -91.000 PHE 242 1.000 33.507 -12.295 56.448 -99.200 -91.000 PHE 246 1.000 33.728 -9.719 51.848 -99.200 -91.000 TRP 247 1.040 36.140 -6.529 55.101 -99.200 -91.000 TRP6 247 1.020 33.804 -6.380 55.388 -99.200 -91.000 TRP 255 1.040 29.783 -17.972 54.677 -99.200 -91.000 TRP6 255 1.020 29.561 -15.875 53.614 -99.200 -91.000 TRP 262 1.040 21.583 -14.657 53.127 -99.200 -91.000 TRP6 262 1.020 22.808 -13.478 51.493 -99.200 -91.000 PHE 265 1.000 28.037 -10.373 55.903 -99.200 -91.000 TYR 271 0.840 17.353 7.975 56.896 -99.200 -91.000 PHE 281 1.000 12.729 9.004 49.153 -99.200 -91.000 TYR 290 0.840 25.620 -5.212 52.391 -99.200 -91.000 TYR 305 0.840 26.965 -14.868 48.424 -99.200 -91.000 PHE 307 1.000 31.732 -4.684 51.082 -99.200 -91.000 PHE 326 1.000 15.188 -0.107 46.960 -99.200 -91.000 TYR 327 0.840 8.371 0.820 38.605 -99.200 -91.000 PHE 330 1.000 16.127 6.364 36.354 -99.200 -91.000 PHE 339 1.000 15.259 5.735 44.424 -99.200 -91.000 HIS 345 0.900 11.324 -7.394 48.423 -99.200 -91.000 HIS 347 0.900 11.589 -10.638 51.000 -99.200 -91.000 PHE 350 1.000 14.395 -14.613 60.777 -99.200 -91.000 PHE 359 1.000 12.279 8.056 58.393 -99.200 -91.000 TYR 369 0.840 32.136 19.000 47.432 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vj9A1 GLU 62 HA 0.05 0.00 0.17 -0.75 4.29 3.75 2vj9A1 GLU 62 HB2 0.09 0.06 0.06 -0.04 2.09 2.25 2vj9A1 GLU 62 HB3 0.05 -0.04 0.05 -0.04 1.99 2.01 2vj9A1 GLU 62 HG2 0.04 -0.08 -0.01 -0.04 2.34 2.25 2vj9A1 GLU 62 HG3 0.06 0.05 -0.21 -0.04 2.34 2.19 2vj9A1 MET 63 H 0.05 0.10 0.10 -0.55 8.47 8.17 2vj9A1 MET 63 HA 0.08 0.51 0.89 -0.75 4.52 5.24 2vj9A1 MET 63 HB2 0.07 -0.13 0.05 -0.04 2.15 2.10 2vj9A1 MET 63 HB3 0.07 0.06 0.20 -0.04 2.03 2.32 2vj9A1 MET 63 HG2 0.07 0.24 -0.10 -0.04 2.63 2.80 2vj9A1 MET 63 HG3 0.06 -0.03 -0.08 -0.04 2.56 2.47 2vj9A1 MET 63 HE3 0.08 0.03 0.30 -0.04 2.10 2.48 2vj9A1 VAL 64 H 0.03 0.09 -0.05 -0.55 8.24 7.76 2vj9A1 VAL 64 HA 0.02 -0.06 0.48 -0.75 4.13 3.81 2vj9A1 VAL 64 HB 0.01 0.06 0.04 -0.04 2.12 2.18 2vj9A1 VAL 64 HG13 -0.01 0.00 -0.16 -0.04 0.97 0.76 2vj9A1 VAL 64 HG23 0.01 -0.02 -0.02 -0.04 0.95 0.89 2vj9A1 ASP 65 H 0.00 0.03 0.16 -0.55 8.40 8.04 2vj9A1 ASP 65 HA -0.01 0.12 0.47 -0.75 4.63 4.45 2vj9A1 ASP 65 HB2 -0.03 0.29 -0.06 -0.04 2.71 2.87 2vj9A1 ASP 65 HB3 -0.04 -0.00 0.28 -0.04 2.70 2.90 2vj9A1 ASN 66 H -0.00 0.08 0.09 -0.55 8.53 8.15 2vj9A1 ASN 66 HA -0.09 0.18 0.80 -0.75 4.76 4.89 2vj9A1 ASN 66 HB2 0.06 -0.15 0.24 -0.04 2.88 2.99 2vj9A1 ASN 66 HB3 0.03 0.18 0.07 -0.04 2.79 3.03 2vj9A1 ASN 66 HD21 0.05 0.15 0.26 -0.04 7.03 7.45 2vj9A1 ASN 66 HD22 0.08 0.19 0.13 -0.04 7.74 8.10 2vj9A1 LEU 67 H -0.02 0.39 -0.09 -0.55 8.37 8.10 2vj9A1 LEU 67 HA -0.09 0.37 1.03 -0.75 4.35 4.92 2vj9A1 LEU 67 HB2 0.01 -0.10 -0.41 -0.04 1.64 1.10 2vj9A1 LEU 67 HB3 0.04 0.07 -0.21 -0.04 1.64 1.51 2vj9A1 LEU 67 HG -0.00 -0.25 -0.40 -0.04 1.64 0.94 2vj9A1 LEU 67 HD13 -0.04 -0.00 -0.35 -0.04 0.93 0.50 2vj9A1 LEU 67 HD23 -0.01 0.05 -0.28 -0.04 0.89 0.60 2vj9A1 ARG 68 H -0.50 0.47 0.31 -0.55 8.46 8.19 2vj9A1 ARG 68 HA -0.15 0.22 0.73 -0.75 4.34 4.39 2vj9A1 ARG 68 HB2 -0.88 -0.03 0.02 -0.04 1.90 0.97 2vj9A1 ARG 68 HB3 -0.17 -0.05 0.16 -0.04 1.80 1.70 2vj9A1 ARG 68 HG2 -0.08 0.08 0.04 -0.04 1.67 1.67 2vj9A1 ARG 68 HG3 -0.13 -0.02 -0.42 -0.04 1.67 1.06 2vj9A1 ARG 68 HD2 0.01 0.00 -0.04 -0.04 3.22 3.16 2vj9A1 ARG 68 HD3 0.12 -0.03 -0.06 -0.04 3.22 3.22 2vj9A1 GLY 69 H -0.15 0.16 0.21 -0.55 8.43 8.11 2vj9A1 GLY 69 HA2 -0.01 0.01 0.37 -0.51 4.01 3.86 2vj9A1 GLY 69 HA3 -0.24 0.32 1.08 -0.51 4.01 4.65 2vj9A1 LYS 70 H -0.28 0.35 0.15 -0.55 8.42 8.08 2vj9A1 LYS 70 HA -0.43 0.31 0.71 -0.75 4.32 4.15 2vj9A1 LYS 70 HB2 -0.08 -0.13 0.01 -0.04 1.87 1.63 2vj9A1 LYS 70 HB3 -0.06 -0.05 0.16 -0.04 1.79 1.81 2vj9A1 LYS 70 HG2 -0.09 0.30 -0.09 -0.04 1.46 1.54 2vj9A1 LYS 70 HG3 -0.07 -0.07 -0.34 -0.04 1.46 0.93 2vj9A1 LYS 70 HD2 -0.02 -0.06 -0.01 -0.04 1.69 1.56 2vj9A1 LYS 70 HD3 -0.02 0.02 0.03 -0.04 1.68 1.67 2vj9A1 LYS 70 HE2 -0.02 0.09 -0.00 -0.04 2.99 3.01 2vj9A1 LYS 70 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2vj9A1 SER 71 H 0.01 0.24 0.13 -0.55 8.46 8.30 2vj9A1 SER 71 HA 0.20 0.09 0.31 -0.75 4.49 4.35 2vj9A1 SER 71 HB2 0.11 0.01 0.04 -0.04 3.95 4.07 2vj9A1 SER 71 HB3 0.18 0.07 0.04 -0.04 3.93 4.18 2vj9A1 GLY 72 H 0.01 0.08 -0.16 -0.55 8.43 7.81 2vj9A1 GLY 72 HA2 0.04 0.06 0.31 -0.51 4.01 3.90 2vj9A1 GLY 72 HA3 0.03 0.05 0.26 -0.51 4.01 3.83 2vj9A1 GLN 73 H 0.01 0.07 -0.28 -0.55 8.47 7.72 2vj9A1 GLN 73 HA 0.12 0.22 0.95 -0.75 4.36 4.90 2vj9A1 GLN 73 HB2 0.07 0.01 0.03 -0.04 2.15 2.21 2vj9A1 GLN 73 HB3 0.13 -0.03 0.11 -0.04 2.02 2.18 2vj9A1 GLN 73 HG2 0.01 0.06 -0.16 -0.04 2.40 2.27 2vj9A1 GLN 73 HG3 0.01 -0.12 -0.26 -0.04 2.39 1.98 2vj9A1 GLN 73 HE21 -0.08 0.07 -0.07 -0.04 6.97 6.84 2vj9A1 GLN 73 HE22 -0.06 -0.03 -0.08 -0.04 7.69 7.48 2vj9A1 GLY 74 H 0.02 0.31 -0.06 -0.55 8.43 8.15 2vj9A1 GLY 74 HA2 0.06 0.03 0.33 -0.51 4.01 3.92 2vj9A1 GLY 74 HA3 0.01 0.12 0.62 -0.51 4.01 4.25 2vj9A1 TYR 75 H 0.19 0.17 0.16 -0.55 8.29 8.26 2vj9A1 TYR 75 HA -0.04 0.35 0.98 -0.75 4.56 5.09 2vj9A1 TYR 75 HB2 -0.05 -0.06 0.07 -0.04 3.06 2.98 2vj9A1 TYR 75 HB3 -0.08 0.02 -0.11 -0.04 2.98 2.77 2vj9A1 TYR 75 HD2 -0.04 0.01 -0.30 -0.04 7.15 6.78 2vj9A1 TYR 75 HE2 0.00 0.20 -0.37 -0.04 6.85 6.65 2vj9A1 TYR 76 H -0.34 0.70 0.32 -0.55 8.29 8.42 2vj9A1 TYR 76 HA -0.05 0.17 1.04 -0.75 4.56 4.97 2vj9A1 TYR 76 HB2 0.06 -0.12 -0.35 -0.04 3.06 2.61 2vj9A1 TYR 76 HB3 -0.02 -0.02 -0.44 -0.04 2.98 2.46 2vj9A1 TYR 76 HD2 0.15 0.01 -0.31 -0.04 7.15 6.95 2vj9A1 TYR 76 HE2 0.07 0.03 -0.11 -0.04 6.85 6.79 2vj9A1 VAL 77 H 0.13 0.62 0.33 -0.55 8.24 8.77 2vj9A1 VAL 77 HA 0.06 0.36 1.01 -0.75 4.13 4.81 2vj9A1 VAL 77 HB -0.00 -0.07 -0.07 -0.04 2.12 1.94 2vj9A1 VAL 77 HG13 -0.03 0.03 -0.12 -0.04 0.97 0.80 2vj9A1 VAL 77 HG23 0.03 0.09 0.06 -0.04 0.95 1.10 2vj9A1 GLU 78 H 0.12 0.24 0.22 -0.55 8.60 8.63 2vj9A1 GLU 78 HA 0.12 0.12 0.73 -0.75 4.29 4.51 2vj9A1 GLU 78 HB2 0.17 0.02 0.10 -0.04 2.09 2.34 2vj9A1 GLU 78 HB3 0.18 -0.05 0.15 -0.04 1.99 2.22 2vj9A1 GLU 78 HG2 0.06 0.01 -0.17 -0.04 2.34 2.20 2vj9A1 GLU 78 HG3 0.08 0.00 -0.02 -0.04 2.34 2.37 2vj9A1 MET 79 H 0.05 0.72 0.49 -0.55 8.47 9.17 2vj9A1 MET 79 HA -0.02 0.19 0.91 -0.75 4.52 4.85 2vj9A1 MET 79 HB2 0.02 -0.07 -0.02 -0.04 2.15 2.04 2vj9A1 MET 79 HB3 -0.07 0.08 0.12 -0.04 2.03 2.12 2vj9A1 MET 79 HG2 -0.12 0.07 -0.09 -0.04 2.63 2.45 2vj9A1 MET 79 HG3 -0.03 0.01 -0.48 -0.04 2.56 2.01 2vj9A1 MET 79 HE3 -0.94 0.02 -0.13 -0.04 2.10 1.01 2vj9A1 THR 80 H -0.01 0.57 0.34 -0.55 8.28 8.63 2vj9A1 THR 80 HA 0.01 0.38 0.88 -0.75 4.39 4.91 2vj9A1 THR 80 HB 0.01 -0.05 -0.16 -0.04 4.32 4.08 2vj9A1 THR 80 HG23 -0.00 -0.00 -0.26 -0.04 1.22 0.92 2vj9A1 VAL 81 H -0.01 0.60 0.30 -0.55 8.24 8.59 2vj9A1 VAL 81 HA 0.01 0.35 0.98 -0.75 4.13 4.72 2vj9A1 VAL 81 HB -0.30 -0.03 -0.04 -0.04 2.12 1.70 2vj9A1 VAL 81 HG13 -0.05 -0.01 -0.26 -0.04 0.97 0.61 2vj9A1 VAL 81 HG23 -0.35 0.01 -0.08 -0.04 0.95 0.49 2vj9A1 GLY 82 H 0.07 0.51 0.17 -0.55 8.43 8.64 2vj9A1 GLY 82 HA2 0.16 -0.13 0.31 -0.51 4.01 3.84 2vj9A1 GLY 82 HA3 0.17 0.18 0.39 -0.51 4.01 4.24 2vj9A1 SER 83 H 0.09 0.02 0.15 -0.55 8.46 8.17 2vj9A1 SER 83 HA 0.04 0.12 0.62 -0.75 4.49 4.52 2vj9A1 SER 83 HB2 0.05 -0.16 0.17 -0.04 3.95 3.97 2vj9A1 SER 83 HB3 0.03 0.08 0.03 -0.04 3.93 4.03 2vj9A1 PRO 84 HA 0.02 0.05 0.33 -0.51 4.44 4.33 2vj9A1 PRO 84 HB2 0.01 0.11 -0.01 -0.04 2.28 2.35 2vj9A1 PRO 84 HB3 0.01 -0.02 0.10 -0.04 2.02 2.07 2vj9A1 PRO 84 HG2 0.01 0.05 0.00 -0.04 2.03 2.05 2vj9A1 PRO 84 HG3 0.01 -0.01 0.09 -0.04 2.03 2.08 2vj9A1 PRO 84 HD2 0.02 0.37 0.45 -0.04 3.68 4.49 2vj9A1 PRO 84 HD3 0.02 0.02 0.26 -0.04 3.65 3.91 2vj9A1 PRO 85 HA 0.03 0.22 0.11 -0.51 4.44 4.29 2vj9A1 PRO 85 HB2 0.01 -0.02 -0.04 -0.04 2.28 2.18 2vj9A1 PRO 85 HB3 0.01 -0.01 -0.07 -0.04 2.02 1.91 2vj9A1 PRO 85 HG2 0.01 0.02 0.02 -0.04 2.03 2.03 2vj9A1 PRO 85 HG3 0.01 0.06 0.01 -0.04 2.03 2.07 2vj9A1 PRO 85 HD2 0.01 0.09 0.12 -0.04 3.68 3.87 2vj9A1 PRO 85 HD3 0.02 0.04 0.18 -0.04 3.65 3.85 2vj9A1 GLN 86 H 0.04 0.63 0.25 -0.55 8.47 8.84 2vj9A1 GLN 86 HA 0.01 0.12 0.89 -0.75 4.36 4.63 2vj9A1 GLN 86 HB2 0.07 -0.01 0.21 -0.04 2.15 2.38 2vj9A1 GLN 86 HB3 0.03 -0.01 -0.01 -0.04 2.02 1.99 2vj9A1 GLN 86 HG2 0.02 0.00 -0.03 -0.04 2.40 2.34 2vj9A1 GLN 86 HG3 0.06 0.20 -0.09 -0.04 2.39 2.53 2vj9A1 GLN 86 HE21 0.01 0.24 -0.05 -0.04 6.97 7.13 2vj9A1 GLN 86 HE22 0.08 0.10 -0.18 -0.04 7.69 7.64 2vj9A1 THR 87 H 0.01 0.16 0.07 -0.55 8.28 7.97 2vj9A1 THR 87 HA 0.01 0.25 0.72 -0.75 4.39 4.62 2vj9A1 THR 87 HB 0.01 -0.04 0.10 -0.04 4.32 4.35 2vj9A1 THR 87 HG23 0.03 -0.00 -0.15 -0.04 1.22 1.06 2vj9A1 LEU 88 H 0.03 0.85 0.44 -0.55 8.37 9.14 2vj9A1 LEU 88 HA 0.02 0.10 0.68 -0.75 4.35 4.40 2vj9A1 LEU 88 HB2 0.02 -0.00 -0.12 -0.04 1.64 1.50 2vj9A1 LEU 88 HB3 0.04 -0.04 -0.10 -0.04 1.64 1.49 2vj9A1 LEU 88 HG 0.01 0.06 -0.65 -0.04 1.64 1.01 2vj9A1 LEU 88 HD13 -0.03 -0.03 -0.19 -0.04 0.93 0.65 2vj9A1 LEU 88 HD23 0.02 0.02 -0.20 -0.04 0.89 0.69 2vj9A1 ASN 89 H 0.03 0.14 0.14 -0.55 8.53 8.29 2vj9A1 ASN 89 HA 0.13 0.23 0.83 -0.75 4.76 5.19 2vj9A1 ASN 89 HB2 -0.11 0.02 0.31 -0.04 2.88 3.07 2vj9A1 ASN 89 HB3 -0.26 0.01 -0.04 -0.04 2.79 2.45 2vj9A1 ASN 89 HD21 0.05 -0.05 -0.03 -0.04 7.03 6.96 2vj9A1 ASN 89 HD22 -0.18 0.34 0.11 -0.04 7.74 7.97 2vj9A1 ILE 90 H 0.15 0.73 0.27 -0.55 8.25 8.85 2vj9A1 ILE 90 HA 0.09 0.07 0.81 -0.75 4.18 4.40 2vj9A1 ILE 90 HB 0.02 0.06 -0.00 -0.04 1.89 1.93 2vj9A1 ILE 90 HG12 0.08 0.11 -0.39 -0.04 1.49 1.25 2vj9A1 ILE 90 HG13 0.15 0.02 -0.23 -0.04 1.21 1.11 2vj9A1 ILE 90 HG23 0.10 0.00 -0.45 -0.04 0.93 0.54 2vj9A1 ILE 90 HD13 0.10 0.02 -0.36 -0.04 0.88 0.60 2vj9A1 LEU 91 H -0.25 0.63 0.31 -0.55 8.37 8.51 2vj9A1 LEU 91 HA -0.19 0.22 0.53 -0.75 4.35 4.15 2vj9A1 LEU 91 HB2 -1.70 0.02 0.08 -0.04 1.64 0.01 2vj9A1 LEU 91 HB3 -0.80 -0.10 0.19 -0.04 1.64 0.90 2vj9A1 LEU 91 HG -0.36 0.14 0.00 -0.04 1.64 1.38 2vj9A1 LEU 91 HD13 -0.92 0.02 -0.03 -0.04 0.93 -0.03 2vj9A1 LEU 91 HD23 -0.29 -0.05 -0.45 -0.04 0.89 0.05 2vj9A1 VAL 92 H -0.08 0.76 0.40 -0.55 8.24 8.76 2vj9A1 VAL 92 HA -0.12 0.10 0.76 -0.75 4.13 4.11 2vj9A1 VAL 92 HB -0.06 0.04 0.12 -0.04 2.12 2.18 2vj9A1 VAL 92 HG13 -0.17 -0.04 -0.17 -0.04 0.97 0.55 2vj9A1 VAL 92 HG23 -0.08 0.02 -0.06 -0.04 0.95 0.79 2vj9A1 ASP 93 H -0.10 0.67 0.22 -0.55 8.40 8.64 2vj9A1 ASP 93 HA -0.06 0.11 0.87 -0.75 4.63 4.80 2vj9A1 ASP 93 HB2 -0.11 0.12 -0.26 -0.04 2.71 2.42 2vj9A1 ASP 93 HB3 -0.02 0.07 -0.06 -0.04 2.70 2.65 2vj9A1 THR 94 H -0.04 0.11 0.15 -0.55 8.28 7.95 2vj9A1 THR 94 HA 0.04 0.12 0.63 -0.75 4.39 4.42 2vj9A1 THR 94 HB 0.01 0.10 0.19 -0.04 4.32 4.58 2vj9A1 THR 94 HG23 -0.59 0.03 -0.03 -0.04 1.22 0.59 2vj9A1 GLY 95 H 0.06 -0.04 -0.48 -0.55 8.43 7.43 2vj9A1 GLY 95 HA2 0.20 0.21 0.75 -0.51 4.01 4.66 2vj9A1 GLY 95 HA3 0.10 -0.03 0.24 -0.51 4.01 3.81 2vj9A1 SER 96 H 0.10 0.28 -0.14 -0.55 8.46 8.16 2vj9A1 SER 96 HA 0.11 0.22 0.29 -0.75 4.49 4.35 2vj9A1 SER 96 HB2 0.22 -0.02 0.11 -0.04 3.95 4.22 2vj9A1 SER 96 HB3 0.30 0.12 -0.16 -0.04 3.93 4.16 2vj9A1 SER 97 H 0.09 0.17 0.02 -0.55 8.46 8.19 2vj9A1 SER 97 HA 0.07 0.21 0.64 -0.75 4.49 4.65 2vj9A1 SER 97 HB2 0.03 -0.00 -0.34 -0.04 3.95 3.59 2vj9A1 SER 97 HB3 0.05 0.05 -0.22 -0.04 3.93 3.77 2vj9A1 ASN 98 H 0.17 0.02 0.05 -0.55 8.53 8.23 2vj9A1 ASN 98 HA 0.19 0.27 0.95 -0.75 4.76 5.41 2vj9A1 ASN 98 HB2 0.28 -0.06 0.03 -0.04 2.88 3.09 2vj9A1 ASN 98 HB3 0.36 0.06 -0.17 -0.04 2.79 3.00 2vj9A1 ASN 98 HD21 0.11 0.54 0.09 -0.04 7.03 7.73 2vj9A1 ASN 98 HD22 0.22 -0.03 -0.04 -0.04 7.74 7.85 2vj9A1 PHE 99 H 0.30 0.26 0.15 -0.55 8.34 8.51 2vj9A1 PHE 99 HA 0.02 0.26 1.01 -0.75 4.62 5.16 2vj9A1 PHE 99 HB2 0.07 -0.10 0.15 -0.04 3.15 3.23 2vj9A1 PHE 99 HB3 0.08 0.20 0.26 -0.04 3.06 3.55 2vj9A1 PHE 99 HD2 -0.03 0.23 0.06 -0.04 7.28 7.51 2vj9A1 PHE 99 HE2 -0.13 -0.01 -0.20 -0.04 7.38 7.00 2vj9A1 PHE 99 HZ -0.19 0.01 -0.19 -0.04 7.32 6.90 2vj9A1 ALA 100 H -0.07 0.66 0.33 -0.55 8.40 8.78 2vj9A1 ALA 100 HA -0.40 0.15 0.95 -0.75 4.34 4.27 2vj9A1 ALA 100 HB3 -0.64 -0.01 -0.13 -0.04 1.41 0.59 2vj9A1 VAL 101 H -0.33 0.65 0.33 -0.55 8.24 8.34 2vj9A1 VAL 101 HA -0.05 0.11 1.08 -0.75 4.13 4.51 2vj9A1 VAL 101 HB -0.07 0.07 -0.01 -0.04 2.12 2.07 2vj9A1 VAL 101 HG13 -0.44 -0.02 -0.31 -0.04 0.97 0.16 2vj9A1 VAL 101 HG23 -0.21 0.00 -0.12 -0.04 0.95 0.58 2vj9A1 GLY 102 H 0.15 0.85 0.43 -0.55 8.43 9.31 2vj9A1 GLY 102 HA2 0.16 -0.00 0.64 -0.51 4.01 4.29 2vj9A1 GLY 102 HA3 -0.03 0.08 0.47 -0.51 4.01 4.01 2vj9A1 ALA 103 H 0.01 0.50 0.37 -0.55 8.40 8.73 2vj9A1 ALA 103 HA 0.21 0.20 0.90 -0.75 4.34 4.90 2vj9A1 ALA 103 HB3 0.02 -0.01 -0.04 -0.04 1.41 1.34 2vj9A1 ALA 104 H -0.20 0.18 0.16 -0.55 8.40 8.00 2vj9A1 ALA 104 HA -0.55 0.10 0.50 -0.75 4.34 3.63 2vj9A1 ALA 104 HB3 -0.13 0.02 0.08 -0.04 1.41 1.34 2vj9A1 PRO 105 HA -0.39 0.03 0.33 -0.51 4.44 3.90 2vj9A1 PRO 105 HB2 -0.15 0.00 0.01 -0.04 2.28 2.10 2vj9A1 PRO 105 HB3 -0.10 0.05 0.04 -0.04 2.02 1.96 2vj9A1 PRO 105 HG2 -0.10 0.03 0.06 -0.04 2.03 1.97 2vj9A1 PRO 105 HG3 -0.14 0.05 0.03 -0.04 2.03 1.93 2vj9A1 PRO 105 HD2 -0.24 0.11 0.19 -0.04 3.68 3.70 2vj9A1 PRO 105 HD3 -0.52 0.13 0.16 -0.04 3.65 3.37 2vj9A1 HIS 106 H -0.10 0.31 0.20 -0.55 8.41 8.28 2vj9A1 HIS 106 HA -0.15 0.17 0.58 -0.75 4.63 4.48 2vj9A1 HIS 106 HB2 -0.15 0.19 -0.12 -0.04 3.26 3.14 2vj9A1 HIS 106 HB3 -0.29 -0.07 0.03 -0.04 3.20 2.83 2vj9A1 HIS 106 HD2 0.09 0.06 0.03 -0.04 6.97 7.10 2vj9A1 HIS 106 HE1 -0.67 0.05 -0.05 -0.04 7.75 7.04 2vj9A1 PRO 107 HA -0.15 0.13 0.37 -0.51 4.44 4.28 2vj9A1 PRO 107 HB2 -0.63 0.01 0.02 -0.04 2.28 1.63 2vj9A1 PRO 107 HB3 -0.21 0.05 0.10 -0.04 2.02 1.92 2vj9A1 PRO 107 HG2 -0.52 0.05 0.08 -0.04 2.03 1.60 2vj9A1 PRO 107 HG3 -0.31 0.07 0.07 -0.04 2.03 1.81 2vj9A1 PRO 107 HD2 -1.80 0.07 0.19 -0.04 3.68 2.10 2vj9A1 PRO 107 HD3 -0.58 0.19 0.18 -0.04 3.65 3.40 2vj9A1 PHE 108 H 0.42 0.04 -0.37 -0.55 8.34 7.89 2vj9A1 PHE 108 HA -0.14 0.19 0.67 -0.75 4.62 4.58 2vj9A1 PHE 108 HB2 0.02 -0.01 -0.15 -0.04 3.15 2.96 2vj9A1 PHE 108 HB3 -0.16 -0.01 -0.13 -0.04 3.06 2.73 2vj9A1 PHE 108 HD2 0.01 0.15 -0.39 -0.04 7.28 7.01 2vj9A1 PHE 108 HE2 0.01 0.05 -0.04 -0.04 7.38 7.37 2vj9A1 PHE 108 HZ 0.01 0.03 -0.01 -0.04 7.32 7.31 2vj9A1 LEU 109 H -0.04 0.48 -0.30 -0.55 8.37 7.97 2vj9A1 LEU 109 HA -0.24 0.14 0.94 -0.75 4.35 4.44 2vj9A1 LEU 109 HB2 -0.13 -0.02 0.12 -0.04 1.64 1.57 2vj9A1 LEU 109 HB3 -0.13 0.18 0.00 -0.04 1.64 1.65 2vj9A1 LEU 109 HG -0.73 -0.17 -0.14 -0.04 1.64 0.56 2vj9A1 LEU 109 HD13 -0.54 0.02 0.01 -0.04 0.93 0.37 2vj9A1 LEU 109 HD23 -0.77 0.05 0.09 -0.04 0.89 0.21 2vj9A1 HIS 110 H -0.04 0.16 0.13 -0.55 8.41 8.12 2vj9A1 HIS 110 HA -0.02 0.14 0.61 -0.75 4.63 4.61 2vj9A1 HIS 110 HB2 -0.05 0.00 0.03 -0.04 3.26 3.19 2vj9A1 HIS 110 HB3 -0.03 0.01 0.07 -0.04 3.20 3.21 2vj9A1 HIS 110 HD2 -0.03 0.01 -0.01 -0.04 6.97 6.90 2vj9A1 HIS 110 HE1 -0.11 -0.09 0.02 -0.04 7.75 7.53 2vj9A1 ARG 111 H 0.03 0.18 -0.03 -0.55 8.46 8.08 2vj9A1 ARG 111 HA 0.00 0.12 0.42 -0.75 4.34 4.12 2vj9A1 ARG 111 HB2 -0.05 0.03 0.05 -0.04 1.90 1.89 2vj9A1 ARG 111 HB3 -0.00 0.13 -0.10 -0.04 1.80 1.79 2vj9A1 ARG 111 HG2 0.03 -0.15 -0.16 -0.04 1.67 1.35 2vj9A1 ARG 111 HG3 0.01 -0.02 -0.22 -0.04 1.67 1.40 2vj9A1 ARG 111 HD2 -0.01 0.23 0.00 -0.04 3.22 3.41 2vj9A1 ARG 111 HD3 -0.01 0.00 -0.07 -0.04 3.22 3.10 2vj9A1 TYR 112 H -0.28 0.30 0.08 -0.55 8.29 7.84 2vj9A1 TYR 112 HA -0.02 0.11 0.48 -0.75 4.56 4.37 2vj9A1 TYR 112 HB2 -0.03 0.08 -0.43 -0.04 3.06 2.63 2vj9A1 TYR 112 HB3 -0.09 0.05 -0.35 -0.04 2.98 2.55 2vj9A1 TYR 112 HD2 -0.05 0.12 -0.54 -0.04 7.15 6.64 2vj9A1 TYR 112 HE2 -0.05 0.02 -0.17 -0.04 6.85 6.60 2vj9A1 TYR 113 H 0.24 0.71 0.22 -0.55 8.29 8.91 2vj9A1 TYR 113 HA -0.06 0.02 0.40 -0.75 4.56 4.17 2vj9A1 TYR 113 HB2 -0.04 -0.01 0.00 -0.04 3.06 2.97 2vj9A1 TYR 113 HB3 -0.02 0.08 0.09 -0.04 2.98 3.10 2vj9A1 TYR 113 HD2 -0.07 0.02 -0.13 -0.04 7.15 6.93 2vj9A1 TYR 113 HE2 -0.02 0.02 -0.23 -0.04 6.85 6.57 2vj9A1 GLN 114 H -0.04 0.22 0.11 -0.55 8.47 8.22 2vj9A1 GLN 114 HA -0.16 0.19 0.87 -0.75 4.36 4.51 2vj9A1 GLN 114 HB2 -0.14 0.03 0.19 -0.04 2.15 2.18 2vj9A1 GLN 114 HB3 -0.13 -0.08 0.04 -0.04 2.02 1.81 2vj9A1 GLN 114 HG2 -0.31 0.02 -0.14 -0.04 2.40 1.93 2vj9A1 GLN 114 HG3 -0.44 0.23 -0.12 -0.04 2.39 2.02 2vj9A1 GLN 114 HE21 -0.16 -0.01 -0.00 -0.04 6.97 6.76 2vj9A1 GLN 114 HE22 -0.21 0.05 0.02 -0.04 7.69 7.51 2vj9A1 ARG 115 H -0.48 0.30 0.06 -0.55 8.46 7.79 2vj9A1 ARG 115 HA -0.69 0.06 0.24 -0.75 4.34 3.20 2vj9A1 ARG 115 HB2 -0.51 0.01 0.10 -0.04 1.90 1.46 2vj9A1 ARG 115 HB3 -0.89 0.04 0.00 -0.04 1.80 0.91 2vj9A1 ARG 115 HG2 -1.53 -0.00 -0.06 -0.04 1.67 0.03 2vj9A1 ARG 115 HG3 -1.26 0.01 -0.08 -0.04 1.67 0.31 2vj9A1 ARG 115 HD2 -0.78 -0.01 -0.04 -0.04 3.22 2.35 2vj9A1 ARG 115 HD3 -0.44 0.01 -0.05 -0.04 3.22 2.70 2vj9A1 GLN 116 H -0.18 0.06 -0.23 -0.55 8.47 7.57 2vj9A1 GLN 116 HA -0.06 0.13 0.36 -0.75 4.36 4.05 2vj9A1 GLN 116 HB2 -0.04 0.03 0.09 -0.04 2.15 2.20 2vj9A1 GLN 116 HB3 -0.07 -0.04 0.08 -0.04 2.02 1.95 2vj9A1 GLN 116 HG2 -0.05 0.09 -0.40 -0.04 2.40 2.00 2vj9A1 GLN 116 HG3 -0.04 0.00 -0.06 -0.04 2.39 2.26 2vj9A1 GLN 116 HE21 -0.06 0.01 -0.03 -0.04 6.97 6.85 2vj9A1 GLN 116 HE22 -0.05 0.03 -0.07 -0.04 7.69 7.56 2vj9A1 LEU 117 H -0.11 0.33 -0.48 -0.55 8.37 7.58 2vj9A1 LEU 117 HA -0.02 0.14 0.76 -0.75 4.35 4.47 2vj9A1 LEU 117 HB2 -0.05 0.12 0.04 -0.04 1.64 1.72 2vj9A1 LEU 117 HB3 -0.02 0.00 0.12 -0.04 1.64 1.70 2vj9A1 LEU 117 HG -0.07 -0.12 -0.07 -0.04 1.64 1.34 2vj9A1 LEU 117 HD13 -0.07 -0.00 0.01 -0.04 0.93 0.83 2vj9A1 LEU 117 HD23 -0.03 0.02 -0.07 -0.04 0.89 0.76 2vj9A1 SER 118 H -0.03 0.45 -0.24 -0.55 8.46 8.10 2vj9A1 SER 118 HA 0.05 0.46 1.02 -0.75 4.49 5.27 2vj9A1 SER 118 HB2 0.13 0.08 -0.00 -0.04 3.95 4.12 2vj9A1 SER 118 HB3 0.09 0.12 0.21 -0.04 3.93 4.31 2vj9A1 SER 119 H 0.05 0.57 0.33 -0.55 8.46 8.87 2vj9A1 SER 119 HA 0.05 0.16 0.55 -0.75 4.49 4.49 2vj9A1 SER 119 HB2 0.03 -0.02 0.12 -0.04 3.95 4.04 2vj9A1 SER 119 HB3 0.03 0.04 0.10 -0.04 3.93 4.06 2vj9A1 THR 120 H 0.10 -0.06 -0.14 -0.55 8.28 7.63 2vj9A1 THR 120 HA 0.05 0.26 0.72 -0.75 4.39 4.67 2vj9A1 THR 120 HB 0.06 -0.01 0.09 -0.04 4.32 4.42 2vj9A1 THR 120 HG23 0.04 0.02 -0.08 -0.04 1.22 1.16 2vj9A1 TYR 121 H 0.21 0.16 -0.28 -0.55 8.29 7.83 2vj9A1 TYR 121 HA 0.10 0.19 0.69 -0.75 4.56 4.78 2vj9A1 TYR 121 HB2 0.09 -0.10 0.12 -0.04 3.06 3.13 2vj9A1 TYR 121 HB3 0.03 0.15 0.11 -0.04 2.98 3.23 2vj9A1 TYR 121 HD2 0.12 0.01 -0.13 -0.04 7.15 7.11 2vj9A1 TYR 121 HE2 0.08 -0.03 -0.12 -0.04 6.85 6.75 2vj9A1 ARG 122 H -0.46 0.62 0.40 -0.55 8.46 8.46 2vj9A1 ARG 122 HA -0.24 0.16 0.86 -0.75 4.34 4.37 2vj9A1 ARG 122 HB2 -0.10 0.09 -0.05 -0.04 1.90 1.80 2vj9A1 ARG 122 HB3 -0.15 -0.10 0.14 -0.04 1.80 1.64 2vj9A1 ARG 122 HG2 -0.10 0.01 0.03 -0.04 1.67 1.58 2vj9A1 ARG 122 HG3 -0.06 -0.01 -0.03 -0.04 1.67 1.54 2vj9A1 ARG 122 HD2 -0.06 -0.04 -0.13 -0.04 3.22 2.95 2vj9A1 ARG 122 HD3 -0.11 -0.12 -0.59 -0.04 3.22 2.35 2vj9A1 ASP 123 H -0.20 0.19 0.12 -0.55 8.40 7.97 2vj9A1 ASP 123 HA -0.17 0.11 0.74 -0.75 4.63 4.55 2vj9A1 ASP 123 HB2 0.16 0.03 0.09 -0.04 2.71 2.95 2vj9A1 ASP 123 HB3 0.01 0.03 0.17 -0.04 2.70 2.88 2vj9A1 LEU 124 H -0.00 0.65 0.42 -0.55 8.37 8.89 2vj9A1 LEU 124 HA -0.01 0.16 0.61 -0.75 4.35 4.35 2vj9A1 LEU 124 HB2 0.03 0.06 -0.16 -0.04 1.64 1.53 2vj9A1 LEU 124 HB3 0.02 0.00 0.03 -0.04 1.64 1.65 2vj9A1 LEU 124 HG -0.03 -0.04 -0.18 -0.04 1.64 1.35 2vj9A1 LEU 124 HD13 0.04 -0.01 -0.14 -0.04 0.93 0.78 2vj9A1 LEU 124 HD23 -0.00 0.01 -0.08 -0.04 0.89 0.77 2vj9A1 ARG 125 H 0.04 0.02 -0.17 -0.55 8.46 7.80 2vj9A1 ARG 125 HA 0.04 -0.04 0.29 -0.75 4.34 3.87 2vj9A1 ARG 125 HB2 0.02 0.17 -0.18 -0.04 1.90 1.86 2vj9A1 ARG 125 HB3 0.02 -0.03 0.17 -0.04 1.80 1.92 2vj9A1 ARG 125 HG2 0.03 -0.04 -0.01 -0.04 1.67 1.61 2vj9A1 ARG 125 HG3 0.02 0.07 -0.23 -0.04 1.67 1.49 2vj9A1 ARG 125 HD2 0.01 -0.01 -0.02 -0.04 3.22 3.16 2vj9A1 ARG 125 HD3 0.01 0.04 -0.06 -0.04 3.22 3.17 2vj9A1 LYS 126 H 0.06 0.16 -0.02 -0.55 8.42 8.06 2vj9A1 LYS 126 HA 0.04 0.07 0.63 -0.75 4.32 4.30 2vj9A1 LYS 126 HB2 0.03 0.18 -0.13 -0.04 1.87 1.91 2vj9A1 LYS 126 HB3 0.05 -0.08 -0.06 -0.04 1.79 1.66 2vj9A1 LYS 126 HG2 0.04 -0.04 -0.00 -0.04 1.46 1.41 2vj9A1 LYS 126 HG3 0.05 0.24 -0.10 -0.04 1.46 1.60 2vj9A1 LYS 126 HD2 0.03 -0.15 0.19 -0.04 1.69 1.73 2vj9A1 LYS 126 HD3 0.03 0.03 0.11 -0.04 1.68 1.80 2vj9A1 LYS 126 HE2 0.02 -0.03 0.04 -0.04 2.99 2.98 2vj9A1 LYS 126 HE3 0.03 0.11 0.07 -0.04 2.99 3.16 2vj9A1 GLY 127 H 0.05 0.12 0.16 -0.55 8.43 8.22 2vj9A1 GLY 127 HA2 0.09 0.17 0.92 -0.51 4.01 4.68 2vj9A1 GLY 127 HA3 0.07 0.00 0.38 -0.51 4.01 3.95 2vj9A1 VAL 128 H 0.14 0.57 0.38 -0.55 8.24 8.78 2vj9A1 VAL 128 HA 0.06 0.13 0.60 -0.75 4.13 4.16 2vj9A1 VAL 128 HB 0.10 0.09 -0.20 -0.04 2.12 2.07 2vj9A1 VAL 128 HG13 0.33 -0.01 -0.23 -0.04 0.97 1.03 2vj9A1 VAL 128 HG23 -0.02 0.02 -0.29 -0.04 0.95 0.62 2vj9A1 TYR 129 H 0.02 0.26 0.13 -0.55 8.29 8.15 2vj9A1 TYR 129 HA -0.26 0.22 1.05 -0.75 4.56 4.82 2vj9A1 TYR 129 HB2 -0.10 -0.03 -0.01 -0.04 3.06 2.89 2vj9A1 TYR 129 HB3 -0.13 -0.01 0.12 -0.04 2.98 2.92 2vj9A1 TYR 129 HD2 -0.14 -0.01 -0.10 -0.04 7.15 6.86 2vj9A1 TYR 129 HE2 -0.12 -0.01 -0.12 -0.04 6.85 6.56 2vj9A1 VAL 130 H -1.37 0.61 0.23 -0.55 8.24 7.16 2vj9A1 VAL 130 HA -0.85 0.28 0.97 -0.75 4.13 3.77 2vj9A1 VAL 130 HB -2.52 -0.08 0.03 -0.04 2.12 -0.49 2vj9A1 VAL 130 HG13 -0.99 0.00 -0.20 -0.04 0.97 -0.26 2vj9A1 VAL 130 HG23 -0.67 -0.02 -0.28 -0.04 0.95 -0.06 2vj9A1 PRO 131 HA -0.53 0.11 0.91 -0.51 4.44 4.42 2vj9A1 PRO 131 HB2 -0.15 0.12 -0.02 -0.04 2.28 2.19 2vj9A1 PRO 131 HB3 -0.24 -0.04 0.03 -0.04 2.02 1.73 2vj9A1 PRO 131 HG2 -0.20 0.04 0.07 -0.04 2.03 1.90 2vj9A1 PRO 131 HG3 -0.02 0.01 0.01 -0.04 2.03 1.99 2vj9A1 PRO 131 HD2 -0.48 0.12 0.23 -0.04 3.68 3.50 2vj9A1 PRO 131 HD3 -0.76 0.14 -0.08 -0.04 3.65 2.91 2vj9A1 TYR 132 H -0.06 0.71 0.17 -0.55 8.29 8.56 2vj9A1 TYR 132 HA -0.05 0.15 0.77 -0.75 4.56 4.67 2vj9A1 TYR 132 HB2 0.06 0.37 -0.12 -0.04 3.06 3.32 2vj9A1 TYR 132 HB3 0.04 -0.19 0.11 -0.04 2.98 2.90 2vj9A1 TYR 132 HD2 0.03 0.05 -0.19 -0.04 7.15 7.00 2vj9A1 TYR 132 HE2 -0.07 -0.09 -0.16 -0.04 6.85 6.48 2vj9A1 THR 133 H 0.14 0.10 0.09 -0.55 8.28 8.06 2vj9A1 THR 133 HA 0.03 0.07 0.49 -0.75 4.39 4.24 2vj9A1 THR 133 HB 0.05 -0.03 0.09 -0.04 4.32 4.39 2vj9A1 THR 133 HG23 0.00 -0.00 -0.02 -0.04 1.22 1.16 2vj9A1 GLN 134 H 0.13 0.07 -0.05 -0.55 8.47 8.07 2vj9A1 GLN 134 HA 0.09 0.12 0.85 -0.75 4.36 4.67 2vj9A1 GLN 134 HB2 0.06 -0.03 0.01 -0.04 2.15 2.15 2vj9A1 GLN 134 HB3 0.08 -0.04 0.16 -0.04 2.02 2.17 2vj9A1 GLN 134 HG2 0.11 0.12 -0.12 -0.04 2.40 2.46 2vj9A1 GLN 134 HG3 0.08 -0.02 0.05 -0.04 2.39 2.46 2vj9A1 GLN 134 HE21 0.06 0.03 0.02 -0.04 6.97 7.05 2vj9A1 GLN 134 HE22 0.08 0.07 -0.02 -0.04 7.69 7.78 2vj9A1 GLY 135 H 0.12 0.08 0.04 -0.55 8.43 8.13 2vj9A1 GLY 135 HA2 0.18 0.15 0.30 -0.51 4.01 4.14 2vj9A1 GLY 135 HA3 0.33 0.13 0.32 -0.51 4.01 4.29 2vj9A1 LYS 136 H 0.17 0.39 0.25 -0.55 8.42 8.67 2vj9A1 LYS 136 HA -0.28 0.23 0.64 -0.75 4.32 4.16 2vj9A1 LYS 136 HB2 -0.38 0.03 0.04 -0.04 1.87 1.52 2vj9A1 LYS 136 HB3 -0.12 0.09 -0.02 -0.04 1.79 1.71 2vj9A1 LYS 136 HG2 0.07 0.01 -0.04 -0.04 1.46 1.45 2vj9A1 LYS 136 HG3 0.06 -0.08 -0.21 -0.04 1.46 1.19 2vj9A1 LYS 136 HD2 0.26 0.01 -0.12 -0.04 1.69 1.79 2vj9A1 LYS 136 HD3 0.09 0.05 -0.10 -0.04 1.68 1.68 2vj9A1 LYS 136 HE2 0.08 -0.00 -0.07 -0.04 2.99 2.95 2vj9A1 LYS 136 HE3 0.10 -0.05 -0.10 -0.04 2.99 2.90 2vj9A1 TRP 137 H -0.85 0.62 0.33 -0.55 7.97 7.52 2vj9A1 TRP 137 HA -0.09 0.09 0.80 -0.75 4.62 4.66 2vj9A1 TRP 137 HB2 -0.19 0.09 0.17 -0.04 3.23 3.26 2vj9A1 TRP 137 HB3 -0.42 -0.06 -0.02 -0.04 3.23 2.69 2vj9A1 TRP 137 HD1 -1.83 -0.01 -0.23 -0.04 7.22 5.10 2vj9A1 TRP 137 HE1 -0.12 0.01 -0.17 -0.04 10.20 9.89 2vj9A1 TRP 137 HE3 -0.10 0.02 -0.71 -0.04 7.59 6.76 2vj9A1 TRP 137 HZ2 -0.04 -0.00 -0.21 -0.04 7.44 7.15 2vj9A1 TRP 137 HZ3 -0.04 -0.00 -0.33 -0.04 7.13 6.71 2vj9A1 TRP 137 HH2 -0.05 0.03 -0.24 -0.04 7.19 6.89 2vj9A1 GLU 138 H 0.32 0.71 0.43 -0.55 8.60 9.52 2vj9A1 GLU 138 HA 0.22 0.31 1.00 -0.75 4.29 5.07 2vj9A1 GLU 138 HB2 0.22 -0.01 -0.04 -0.04 2.09 2.22 2vj9A1 GLU 138 HB3 0.17 -0.07 0.09 -0.04 1.99 2.14 2vj9A1 GLU 138 HG2 0.15 0.00 0.00 -0.04 2.34 2.46 2vj9A1 GLU 138 HG3 0.15 0.06 0.02 -0.04 2.34 2.53 2vj9A1 GLY 139 H 0.30 0.63 0.38 -0.55 8.43 9.19 2vj9A1 GLY 139 HA2 0.14 0.02 0.69 -0.51 4.01 4.36 2vj9A1 GLY 139 HA3 0.18 0.07 0.18 -0.51 4.01 3.92 2vj9A1 GLU 140 H 0.09 0.50 0.32 -0.55 8.60 8.97 2vj9A1 GLU 140 HA 0.11 0.14 0.93 -0.75 4.29 4.72 2vj9A1 GLU 140 HB2 0.08 -0.02 0.06 -0.04 2.09 2.17 2vj9A1 GLU 140 HB3 0.09 0.01 0.19 -0.04 1.99 2.24 2vj9A1 GLU 140 HG2 0.13 -0.03 -0.00 -0.04 2.34 2.40 2vj9A1 GLU 140 HG3 0.14 0.19 -0.17 -0.04 2.34 2.46 2vj9A1 LEU 141 H 0.11 0.68 0.39 -0.55 8.37 9.00 2vj9A1 LEU 141 HA 0.13 0.16 0.77 -0.75 4.35 4.65 2vj9A1 LEU 141 HB2 0.08 0.02 0.15 -0.04 1.64 1.85 2vj9A1 LEU 141 HB3 0.08 0.02 0.04 -0.04 1.64 1.74 2vj9A1 LEU 141 HG 0.12 -0.06 -0.19 -0.04 1.64 1.47 2vj9A1 LEU 141 HD13 0.07 0.00 -0.10 -0.04 0.93 0.87 2vj9A1 LEU 141 HD23 0.14 0.01 -0.10 -0.04 0.89 0.89 2vj9A1 GLY 142 H 0.13 0.57 0.46 -0.55 8.43 9.05 2vj9A1 GLY 142 HA2 -0.04 -0.02 0.64 -0.51 4.01 4.08 2vj9A1 GLY 142 HA3 0.01 0.04 0.53 -0.51 4.01 4.08 2vj9A1 THR 143 H -0.21 0.58 0.43 -0.55 8.28 8.53 2vj9A1 THR 143 HA 0.09 0.28 0.98 -0.75 4.39 4.99 2vj9A1 THR 143 HB 0.04 0.03 -0.03 -0.04 4.32 4.32 2vj9A1 THR 143 HG23 0.02 -0.02 -0.22 -0.04 1.22 0.96 2vj9A1 ASP 144 H 0.12 0.58 0.32 -0.55 8.40 8.87 2vj9A1 ASP 144 HA 0.11 0.22 0.37 -0.75 4.63 4.58 2vj9A1 ASP 144 HB2 0.37 0.03 -0.35 -0.04 2.71 2.71 2vj9A1 ASP 144 HB3 0.16 0.04 -0.12 -0.04 2.70 2.73 2vj9A1 LEU 145 H 0.10 0.04 0.08 -0.55 8.37 8.05 2vj9A1 LEU 145 HA 0.07 0.28 0.70 -0.75 4.35 4.64 2vj9A1 LEU 145 HB2 0.06 -0.05 -0.05 -0.04 1.64 1.56 2vj9A1 LEU 145 HB3 0.04 0.07 -0.11 -0.04 1.64 1.60 2vj9A1 LEU 145 HG 0.05 -0.06 -0.04 -0.04 1.64 1.55 2vj9A1 LEU 145 HD13 0.03 0.01 -0.10 -0.04 0.93 0.82 2vj9A1 LEU 145 HD23 0.03 0.01 -0.21 -0.04 0.89 0.68 2vj9A1 VAL 146 H 0.08 0.66 0.40 -0.55 8.24 8.83 2vj9A1 VAL 146 HA 0.06 0.35 1.10 -0.75 4.13 4.88 2vj9A1 VAL 146 HB 0.25 -0.03 0.06 -0.04 2.12 2.36 2vj9A1 VAL 146 HG13 -0.17 0.01 -0.09 -0.04 0.97 0.68 2vj9A1 VAL 146 HG23 0.22 0.01 -0.24 -0.04 0.95 0.89 2vj9A1 SER 147 H 0.01 0.50 0.37 -0.55 8.46 8.79 2vj9A1 SER 147 HA 0.04 0.26 0.93 -0.75 4.49 4.96 2vj9A1 SER 147 HB2 0.00 -0.09 -0.00 -0.04 3.95 3.82 2vj9A1 SER 147 HB3 -0.00 0.05 0.04 -0.04 3.93 3.98 2vj9A1 ILE 148 H 0.01 0.35 0.13 -0.55 8.25 8.19 2vj9A1 ILE 148 HA -0.02 0.26 1.00 -0.75 4.18 4.67 2vj9A1 ILE 148 HB 0.02 0.02 0.20 -0.04 1.89 2.10 2vj9A1 ILE 148 HG12 -0.10 0.08 -0.09 -0.04 1.49 1.34 2vj9A1 ILE 148 HG13 0.03 -0.08 -0.32 -0.04 1.21 0.81 2vj9A1 ILE 148 HG23 0.02 0.01 -0.05 -0.04 0.93 0.87 2vj9A1 ILE 148 HD13 0.05 -0.01 -0.05 -0.04 0.88 0.83 2vj9A1 PRO 149 HA -0.12 0.06 0.24 -0.51 4.44 4.11 2vj9A1 PRO 149 HB2 -0.35 0.04 -0.02 -0.04 2.28 1.91 2vj9A1 PRO 149 HB3 -0.22 0.02 0.01 -0.04 2.02 1.79 2vj9A1 PRO 149 HG2 -0.04 0.03 -0.16 -0.04 2.03 1.82 2vj9A1 PRO 149 HG3 -0.06 0.01 -0.12 -0.04 2.03 1.82 2vj9A1 PRO 149 HD2 -0.01 0.33 -0.10 -0.04 3.68 3.86 2vj9A1 PRO 149 HD3 -0.02 0.11 -0.17 -0.04 3.65 3.53 2vj9A1 HIS 150 H -0.00 0.10 -0.24 -0.55 8.41 7.73 2vj9A1 HIS 150 HA 0.02 0.24 0.90 -0.75 4.63 5.03 2vj9A1 HIS 150 HB2 0.02 -0.07 0.15 -0.04 3.26 3.33 2vj9A1 HIS 150 HB3 0.02 0.18 0.27 -0.04 3.20 3.63 2vj9A1 HIS 150 HD2 0.02 -0.06 0.01 -0.04 6.97 6.91 2vj9A1 HIS 150 HE1 0.01 -0.04 -0.03 -0.04 7.75 7.65 2vj9A1 GLY 151 H 0.02 0.51 -0.39 -0.55 8.43 8.02 2vj9A1 GLY 151 HA2 0.07 0.13 0.76 -0.51 4.01 4.45 2vj9A1 GLY 151 HA3 0.05 -0.04 0.41 -0.51 4.01 3.91 2vj9A1 PRO 152 HA 0.02 0.04 0.54 -0.51 4.44 4.54 2vj9A1 PRO 152 HB2 -0.00 -0.03 -0.01 -0.04 2.28 2.19 2vj9A1 PRO 152 HB3 0.01 0.03 0.04 -0.04 2.02 2.06 2vj9A1 PRO 152 HG2 0.02 0.00 0.03 -0.04 2.03 2.05 2vj9A1 PRO 152 HG3 0.05 0.15 0.07 -0.04 2.03 2.26 2vj9A1 PRO 152 HD2 0.05 0.07 0.21 -0.04 3.68 3.97 2vj9A1 PRO 152 HD3 0.07 0.06 0.23 -0.04 3.65 3.97 2vj9A1 GLN 153 H 0.01 0.11 0.12 -0.55 8.47 8.17 2vj9A1 GLN 153 HA -0.01 0.16 0.62 -0.75 4.36 4.38 2vj9A1 GLN 153 HB2 0.00 -0.06 0.23 -0.04 2.15 2.29 2vj9A1 GLN 153 HB3 -0.01 -0.03 0.11 -0.04 2.02 2.06 2vj9A1 GLN 153 HG2 0.01 0.03 0.07 -0.04 2.40 2.46 2vj9A1 GLN 153 HG3 -0.00 -0.05 0.05 -0.04 2.39 2.35 2vj9A1 GLN 153 HE21 -0.05 0.18 -0.09 -0.04 6.97 6.97 2vj9A1 GLN 153 HE22 -0.00 0.25 -0.17 -0.04 7.69 7.73 2vj9A1 VAL 154 H -0.01 0.51 0.12 -0.55 8.24 8.31 2vj9A1 VAL 154 HA -0.03 0.14 0.72 -0.75 4.13 4.21 2vj9A1 VAL 154 HB -0.06 0.04 -0.00 -0.04 2.12 2.05 2vj9A1 VAL 154 HG13 -0.05 -0.03 -0.27 -0.04 0.97 0.58 2vj9A1 VAL 154 HG23 -0.04 0.01 -0.21 -0.04 0.95 0.66 2vj9A1 THR 155 H -0.03 0.24 0.13 -0.55 8.28 8.07 2vj9A1 THR 155 HA 0.01 0.33 0.92 -0.75 4.39 4.89 2vj9A1 THR 155 HB -0.01 -0.03 0.05 -0.04 4.32 4.30 2vj9A1 THR 155 HG23 0.02 -0.01 -0.21 -0.04 1.22 0.98 2vj9A1 VAL 156 H 0.03 0.59 0.29 -0.55 8.24 8.59 2vj9A1 VAL 156 HA -0.04 0.22 0.96 -0.75 4.13 4.50 2vj9A1 VAL 156 HB -0.13 0.09 -0.11 -0.04 2.12 1.93 2vj9A1 VAL 156 HG13 -0.15 -0.01 -0.25 -0.04 0.97 0.52 2vj9A1 VAL 156 HG23 -0.11 0.00 -0.14 -0.04 0.95 0.66 2vj9A1 ARG 157 H -0.02 0.20 0.13 -0.55 8.46 8.21 2vj9A1 ARG 157 HA 0.05 0.23 0.85 -0.75 4.34 4.72 2vj9A1 ARG 157 HB2 0.02 -0.02 -0.01 -0.04 1.90 1.85 2vj9A1 ARG 157 HB3 0.00 0.00 0.12 -0.04 1.80 1.88 2vj9A1 ARG 157 HG2 0.03 -0.01 -0.27 -0.04 1.67 1.38 2vj9A1 ARG 157 HG3 0.04 -0.00 -0.13 -0.04 1.67 1.54 2vj9A1 ARG 157 HD2 0.01 -0.00 -0.06 -0.04 3.22 3.12 2vj9A1 ARG 157 HD3 0.01 -0.01 -0.11 -0.04 3.22 3.07 2vj9A1 ALA 158 H 0.11 0.60 0.31 -0.55 8.40 8.88 2vj9A1 ALA 158 HA 0.07 0.16 0.90 -0.75 4.34 4.71 2vj9A1 ALA 158 HB3 0.24 0.01 -0.09 -0.04 1.41 1.53 2vj9A1 ASN 159 H 0.13 0.17 0.15 -0.55 8.53 8.44 2vj9A1 ASN 159 HA 0.12 0.19 0.83 -0.75 4.76 5.15 2vj9A1 ASN 159 HB2 0.15 0.08 0.14 -0.04 2.88 3.21 2vj9A1 ASN 159 HB3 0.13 -0.01 0.03 -0.04 2.79 2.90 2vj9A1 ASN 159 HD21 0.06 -0.10 0.09 -0.04 7.03 7.04 2vj9A1 ASN 159 HD22 0.09 0.54 0.08 -0.04 7.74 8.40 2vj9A1 ILE 160 H 0.13 0.73 0.38 -0.55 8.25 8.94 2vj9A1 ILE 160 HA 0.00 0.23 0.73 -0.75 4.18 4.40 2vj9A1 ILE 160 HB 0.12 -0.06 -0.12 -0.04 1.89 1.78 2vj9A1 ILE 160 HG12 0.27 0.06 -0.23 -0.04 1.49 1.55 2vj9A1 ILE 160 HG13 0.22 0.08 -0.70 -0.04 1.21 0.77 2vj9A1 ILE 160 HG23 -0.45 -0.02 -0.30 -0.04 0.93 0.12 2vj9A1 ILE 160 HD13 0.01 -0.02 -0.23 -0.04 0.88 0.60 2vj9A1 ALA 161 H -0.10 0.64 0.33 -0.55 8.40 8.72 2vj9A1 ALA 161 HA 0.08 0.22 0.86 -0.75 4.34 4.74 2vj9A1 ALA 161 HB3 0.07 -0.02 -0.07 -0.04 1.41 1.35 2vj9A1 ALA 162 H 0.08 0.73 0.22 -0.55 8.40 8.88 2vj9A1 ALA 162 HA 0.01 0.18 0.72 -0.75 4.34 4.51 2vj9A1 ALA 162 HB3 0.05 -0.00 0.10 -0.04 1.41 1.53 2vj9A1 ILE 163 H -0.13 0.73 0.26 -0.55 8.25 8.55 2vj9A1 ILE 163 HA -0.06 0.09 0.42 -0.75 4.18 3.88 2vj9A1 ILE 163 HB -0.02 -0.06 0.03 -0.04 1.89 1.81 2vj9A1 ILE 163 HG12 -1.39 -0.00 -0.22 -0.04 1.49 -0.17 2vj9A1 ILE 163 HG13 -0.78 0.08 -0.18 -0.04 1.21 0.28 2vj9A1 ILE 163 HG23 0.06 0.01 -0.19 -0.04 0.93 0.76 2vj9A1 ILE 163 HD13 -0.89 -0.02 -0.29 -0.04 0.88 -0.36 2vj9A1 THR 164 H 0.09 0.45 0.54 -0.55 8.28 8.81 2vj9A1 THR 164 HA 0.01 0.17 0.86 -0.75 4.39 4.68 2vj9A1 THR 164 HB 0.02 -0.01 0.09 -0.04 4.32 4.38 2vj9A1 THR 164 HG23 0.01 0.05 -0.09 -0.04 1.22 1.16 2vj9A1 GLU 165 H 0.14 0.35 0.33 -0.55 8.60 8.87 2vj9A1 GLU 165 HA 0.11 0.17 0.75 -0.75 4.29 4.58 2vj9A1 GLU 165 HB2 0.09 -0.00 -0.18 -0.04 2.09 1.95 2vj9A1 GLU 165 HB3 0.12 -0.07 0.02 -0.04 1.99 2.02 2vj9A1 GLU 165 HG2 0.08 -0.02 -0.04 -0.04 2.34 2.31 2vj9A1 GLU 165 HG3 0.09 -0.01 0.13 -0.04 2.34 2.51 2vj9A1 SER 166 H 0.16 0.32 0.24 -0.55 8.46 8.64 2vj9A1 SER 166 HA 0.17 0.19 0.89 -0.75 4.49 4.99 2vj9A1 SER 166 HB2 0.12 -0.03 0.11 -0.04 3.95 4.11 2vj9A1 SER 166 HB3 0.13 0.05 -0.16 -0.04 3.93 3.91 2vj9A1 ASP 167 H 0.16 0.73 0.32 -0.55 8.40 9.06 2vj9A1 ASP 167 HA 0.14 0.11 0.85 -0.75 4.63 4.98 2vj9A1 ASP 167 HB2 0.10 0.04 -0.11 -0.04 2.71 2.70 2vj9A1 ASP 167 HB3 0.10 0.01 0.11 -0.04 2.70 2.88 2vj9A1 LYS 168 H 0.16 0.18 0.12 -0.55 8.42 8.32 2vj9A1 LYS 168 HA 0.16 0.08 0.31 -0.75 4.32 4.12 2vj9A1 LYS 168 HB2 0.12 0.11 -0.08 -0.04 1.87 1.99 2vj9A1 LYS 168 HB3 0.12 0.05 0.21 -0.04 1.79 2.12 2vj9A1 LYS 168 HG2 0.11 0.03 0.05 -0.04 1.46 1.60 2vj9A1 LYS 168 HG3 0.10 -0.08 -0.12 -0.04 1.46 1.32 2vj9A1 LYS 168 HD2 0.08 0.01 -0.02 -0.04 1.69 1.71 2vj9A1 LYS 168 HD3 0.08 0.03 0.03 -0.04 1.68 1.77 2vj9A1 LYS 168 HE2 0.06 0.00 0.01 -0.04 2.99 3.02 2vj9A1 LYS 168 HE3 0.06 -0.02 -0.02 -0.04 2.99 2.97 2vj9A1 PHE 169 H 0.22 -0.11 -0.38 -0.55 8.34 7.51 2vj9A1 PHE 169 HA 0.09 0.27 0.77 -0.75 4.62 5.00 2vj9A1 PHE 169 HB2 0.10 0.01 -0.08 -0.04 3.15 3.14 2vj9A1 PHE 169 HB3 -0.26 -0.15 0.02 -0.04 3.06 2.62 2vj9A1 PHE 169 HD2 -0.71 0.02 -0.13 -0.04 7.28 6.42 2vj9A1 PHE 169 HE2 -0.29 -0.00 -0.19 -0.04 7.38 6.85 2vj9A1 PHE 169 HZ -0.01 -0.03 -0.22 -0.04 7.32 7.03 2vj9A1 PHE 170 H -0.15 -0.05 -0.00 -0.55 8.34 7.58 2vj9A1 PHE 170 HA -0.68 0.13 0.40 -0.75 4.62 3.71 2vj9A1 PHE 170 HB2 -0.38 -0.10 -0.00 -0.04 3.15 2.63 2vj9A1 PHE 170 HB3 -0.34 0.09 -0.08 -0.04 3.06 2.69 2vj9A1 PHE 170 HD2 -0.62 0.02 -0.07 -0.04 7.28 6.57 2vj9A1 PHE 170 HE2 0.11 0.03 -0.19 -0.04 7.38 7.29 2vj9A1 PHE 170 HZ 0.03 -0.03 -0.04 -0.04 7.32 7.23 2vj9A1 ILE 171 H -0.72 0.20 0.15 -0.55 8.25 7.34 2vj9A1 ILE 171 HA -0.14 0.14 0.82 -0.75 4.18 4.24 2vj9A1 ILE 171 HB -0.38 -0.03 0.14 -0.04 1.89 1.58 2vj9A1 ILE 171 HG12 -0.01 -0.00 -0.11 -0.04 1.49 1.32 2vj9A1 ILE 171 HG13 -0.06 0.12 -0.21 -0.04 1.21 1.02 2vj9A1 ILE 171 HG23 -0.14 0.02 -0.14 -0.04 0.93 0.63 2vj9A1 ILE 171 HD13 0.20 0.03 0.04 -0.04 0.88 1.12 2vj9A1 GLN 172 H -0.66 0.16 0.11 -0.55 8.47 7.53 2vj9A1 GLN 172 HA -0.68 0.03 0.44 -0.75 4.36 3.40 2vj9A1 GLN 172 HB2 -2.26 -0.01 0.10 -0.04 2.15 -0.06 2vj9A1 GLN 172 HB3 -0.63 0.02 0.15 -0.04 2.02 1.51 2vj9A1 GLN 172 HG2 -0.30 0.03 -0.18 -0.04 2.40 1.90 2vj9A1 GLN 172 HG3 -0.42 0.01 0.03 -0.04 2.39 1.98 2vj9A1 GLN 172 HE21 0.00 -0.01 -0.02 -0.04 6.97 6.91 2vj9A1 GLN 172 HE22 -0.06 0.03 -0.02 -0.04 7.69 7.60 2vj9A1 GLY 173 H -0.24 0.18 0.28 -0.55 8.43 8.10 2vj9A1 GLY 173 HA2 -0.06 0.01 0.36 -0.51 4.01 3.81 2vj9A1 GLY 173 HA3 -0.12 0.12 0.45 -0.51 4.01 3.95 2vj9A1 SER 174 H -0.33 0.40 -0.14 -0.55 8.46 7.84 2vj9A1 SER 174 HA -0.08 0.10 0.39 -0.75 4.49 4.16 2vj9A1 SER 174 HB2 -0.29 0.13 0.10 -0.04 3.95 3.84 2vj9A1 SER 174 HB3 -0.39 0.00 0.04 -0.04 3.93 3.55 2vj9A1 ASN 175 H -0.21 0.01 -0.17 -0.55 8.53 7.61 2vj9A1 ASN 175 HA -0.12 -0.03 0.25 -0.75 4.76 4.10 2vj9A1 ASN 175 HB2 -0.06 0.03 -0.29 -0.04 2.88 2.53 2vj9A1 ASN 175 HB3 -0.25 0.18 0.12 -0.04 2.79 2.80 2vj9A1 ASN 175 HD21 0.03 -0.02 -0.00 -0.04 7.03 6.99 2vj9A1 ASN 175 HD22 0.23 0.04 -0.02 -0.04 7.74 7.95 2vj9A1 TRP 176 H -0.57 0.06 -0.41 -0.55 7.97 6.50 2vj9A1 TRP 176 HA -0.31 0.20 0.96 -0.75 4.62 4.71 2vj9A1 TRP 176 HB2 -0.08 -0.03 0.00 -0.04 3.23 3.07 2vj9A1 TRP 176 HB3 -0.35 0.04 -0.25 -0.04 3.23 2.63 2vj9A1 TRP 176 HD1 0.02 0.16 -0.17 -0.04 7.22 7.19 2vj9A1 TRP 176 HE1 -0.04 0.67 0.17 -0.04 10.20 10.95 2vj9A1 TRP 176 HE3 0.04 -0.09 -0.41 -0.04 7.59 7.09 2vj9A1 TRP 176 HZ2 -0.21 0.11 0.01 -0.04 7.44 7.31 2vj9A1 TRP 176 HZ3 -0.35 -0.08 -0.28 -0.04 7.13 6.39 2vj9A1 TRP 176 HH2 -1.02 0.12 -0.17 -0.04 7.19 6.08 2vj9A1 GLU 177 H 0.25 0.71 0.38 -0.55 8.60 9.40 2vj9A1 GLU 177 HA -0.03 0.16 0.96 -0.75 4.29 4.63 2vj9A1 GLU 177 HB2 0.05 0.00 0.08 -0.04 2.09 2.18 2vj9A1 GLU 177 HB3 -0.01 -0.01 0.20 -0.04 1.99 2.13 2vj9A1 GLU 177 HG2 -0.02 0.22 0.03 -0.04 2.34 2.52 2vj9A1 GLU 177 HG3 -0.09 0.02 -0.17 -0.04 2.34 2.06 2vj9A1 GLY 178 H 0.42 0.26 0.34 -0.55 8.43 8.91 2vj9A1 GLY 178 HA2 0.30 0.07 0.71 -0.51 4.01 4.58 2vj9A1 GLY 178 HA3 0.09 0.07 0.47 -0.51 4.01 4.13 2vj9A1 ILE 179 H 0.04 0.80 0.41 -0.55 8.25 8.94 2vj9A1 ILE 179 HA -0.13 0.16 0.95 -0.75 4.18 4.41 2vj9A1 ILE 179 HB 0.04 0.02 -0.21 -0.04 1.89 1.71 2vj9A1 ILE 179 HG12 0.06 -0.03 -0.30 -0.04 1.49 1.18 2vj9A1 ILE 179 HG13 -0.16 0.07 -0.06 -0.04 1.21 1.02 2vj9A1 ILE 179 HG23 0.25 0.02 -0.03 -0.04 0.93 1.12 2vj9A1 ILE 179 HD13 -0.11 -0.01 -0.14 -0.04 0.88 0.58 2vj9A1 LEU 180 H -0.04 0.87 0.22 -0.55 8.37 8.88 2vj9A1 LEU 180 HA 0.19 0.09 0.91 -0.75 4.35 4.79 2vj9A1 LEU 180 HB2 -0.11 0.01 -0.13 -0.04 1.64 1.37 2vj9A1 LEU 180 HB3 -0.11 0.02 0.11 -0.04 1.64 1.62 2vj9A1 LEU 180 HG -0.14 -0.03 -0.34 -0.04 1.64 1.08 2vj9A1 LEU 180 HD13 -0.61 -0.01 -0.08 -0.04 0.93 0.19 2vj9A1 LEU 180 HD23 -0.29 0.00 -0.12 -0.04 0.89 0.44 2vj9A1 GLY 181 H 0.16 0.43 -0.24 -0.55 8.43 8.23 2vj9A1 GLY 181 HA2 0.06 0.14 0.54 -0.51 4.01 4.23 2vj9A1 GLY 181 HA3 0.12 -0.21 -0.18 -0.51 4.01 3.23 2vj9A1 LEU 182 H -0.01 0.55 0.34 -0.55 8.37 8.70 2vj9A1 LEU 182 HA -0.04 0.06 0.61 -0.75 4.35 4.22 2vj9A1 LEU 182 HB2 -0.17 -0.07 -0.08 -0.04 1.64 1.27 2vj9A1 LEU 182 HB3 -0.40 -0.02 0.07 -0.04 1.64 1.25 2vj9A1 LEU 182 HG -0.22 0.12 -0.24 -0.04 1.64 1.26 2vj9A1 LEU 182 HD13 -0.73 -0.02 -0.14 -0.04 0.93 0.00 2vj9A1 LEU 182 HD23 -0.35 -0.00 -0.11 -0.04 0.89 0.38 2vj9A1 ALA 183 H 0.03 0.50 0.02 -0.55 8.40 8.40 2vj9A1 ALA 183 HA -0.41 0.07 0.56 -0.75 4.34 3.81 2vj9A1 ALA 183 HB3 -0.05 0.07 -0.03 -0.04 1.41 1.36 2vj9A1 TYR 184 H 0.01 0.58 0.13 -0.55 8.29 8.45 2vj9A1 TYR 184 HA 0.01 0.14 0.32 -0.75 4.56 4.27 2vj9A1 TYR 184 HB2 -0.02 0.05 -0.13 -0.04 3.06 2.92 2vj9A1 TYR 184 HB3 0.01 -0.07 0.06 -0.04 2.98 2.93 2vj9A1 TYR 184 HD2 -0.12 0.09 -0.12 -0.04 7.15 6.96 2vj9A1 TYR 184 HE2 -0.20 0.02 -0.06 -0.04 6.85 6.56 2vj9A1 ALA 185 H 0.18 0.17 0.16 -0.55 8.40 8.36 2vj9A1 ALA 185 HA 0.07 0.14 0.30 -0.75 4.34 4.10 2vj9A1 ALA 185 HB3 0.08 0.05 0.11 -0.04 1.41 1.61 2vj9A1 GLU 186 H 0.11 0.08 -0.32 -0.55 8.60 7.92 2vj9A1 GLU 186 HA 0.05 0.02 0.29 -0.75 4.29 3.89 2vj9A1 GLU 186 HB2 0.05 0.04 0.14 -0.04 2.09 2.28 2vj9A1 GLU 186 HB3 0.15 -0.04 0.09 -0.04 1.99 2.15 2vj9A1 GLU 186 HG2 0.14 -0.01 -0.14 -0.04 2.34 2.29 2vj9A1 GLU 186 HG3 0.03 -0.02 0.09 -0.04 2.34 2.40 2vj9A1 ILE 187 H 0.03 0.33 -0.47 -0.55 8.25 7.58 2vj9A1 ILE 187 HA 0.01 0.24 0.80 -0.75 4.18 4.48 2vj9A1 ILE 187 HB -0.23 -0.01 0.01 -0.04 1.89 1.62 2vj9A1 ILE 187 HG12 -0.13 0.15 -0.21 -0.04 1.49 1.27 2vj9A1 ILE 187 HG13 -0.10 -0.04 -0.44 -0.04 1.21 0.60 2vj9A1 ILE 187 HG23 -0.38 -0.03 -0.23 -0.04 0.93 0.24 2vj9A1 ILE 187 HD13 -0.53 -0.04 -0.33 -0.04 0.88 -0.06 2vj9A1 ALA 188 H 0.03 0.45 -0.30 -0.55 8.40 8.03 2vj9A1 ALA 188 HA 0.02 -0.14 0.33 -0.75 4.34 3.80 2vj9A1 ALA 188 HB3 0.05 0.03 -0.05 -0.04 1.41 1.40 2vj9A1 ARG 189 H 0.00 0.06 0.07 -0.55 8.46 8.03 2vj9A1 ARG 189 HA -0.01 0.23 0.58 -0.75 4.34 4.38 2vj9A1 ARG 189 HB2 -0.11 -0.10 -0.02 -0.04 1.90 1.63 2vj9A1 ARG 189 HB3 -0.08 0.02 0.08 -0.04 1.80 1.78 2vj9A1 ARG 189 HG2 -0.13 -0.05 -0.07 -0.04 1.67 1.38 2vj9A1 ARG 189 HG3 -0.25 0.03 0.08 -0.04 1.67 1.49 2vj9A1 ARG 189 HD2 -0.06 -0.01 0.04 -0.04 3.22 3.15 2vj9A1 ARG 189 HD3 -0.04 0.16 -0.24 -0.04 3.22 3.06 2vj9A1 PRO 190 HA -0.00 0.06 0.41 -0.51 4.44 4.40 2vj9A1 PRO 190 HB2 0.02 0.01 -0.01 -0.04 2.28 2.26 2vj9A1 PRO 190 HB3 0.02 0.02 0.11 -0.04 2.02 2.13 2vj9A1 PRO 190 HG2 0.04 0.04 0.08 -0.04 2.03 2.15 2vj9A1 PRO 190 HG3 0.04 0.05 0.12 -0.04 2.03 2.20 2vj9A1 PRO 190 HD2 0.04 0.02 0.21 -0.04 3.68 3.92 2vj9A1 PRO 190 HD3 0.06 0.15 0.37 -0.04 3.65 4.19 2vj9A1 ASP 191 H 0.03 0.21 -0.08 -0.55 8.40 8.01 2vj9A1 ASP 191 HA 0.02 0.33 0.51 -0.75 4.63 4.74 2vj9A1 ASP 191 HB2 0.02 -0.10 0.16 -0.04 2.71 2.75 2vj9A1 ASP 191 HB3 0.02 0.16 -0.05 -0.04 2.70 2.78 2vj9A1 ASP 192 H 0.02 0.17 0.09 -0.55 8.40 8.13 2vj9A1 ASP 192 HA 0.04 0.35 0.23 -0.75 4.63 4.49 2vj9A1 ASP 192 HB2 0.04 -0.11 -0.13 -0.04 2.71 2.47 2vj9A1 ASP 192 HB3 0.03 0.12 -0.01 -0.04 2.70 2.80 2vj9A1 SER 193 H 0.03 -0.00 -0.72 -0.55 8.46 7.22 2vj9A1 SER 193 HA 0.03 0.14 0.59 -0.75 4.49 4.50 2vj9A1 SER 193 HB2 0.02 0.01 0.06 -0.04 3.95 4.01 2vj9A1 SER 193 HB3 0.02 -0.03 -0.02 -0.04 3.93 3.86 2vj9A1 LEU 194 H 0.04 0.46 -0.25 -0.55 8.37 8.08 2vj9A1 LEU 194 HA 0.05 0.07 0.74 -0.75 4.35 4.46 2vj9A1 LEU 194 HB2 0.06 -0.09 -0.02 -0.04 1.64 1.54 2vj9A1 LEU 194 HB3 0.06 0.06 0.02 -0.04 1.64 1.74 2vj9A1 LEU 194 HG 0.09 0.07 -0.21 -0.04 1.64 1.55 2vj9A1 LEU 194 HD13 0.07 -0.02 -0.00 -0.04 0.93 0.94 2vj9A1 LEU 194 HD23 0.11 -0.02 0.01 -0.04 0.89 0.95 2vj9A1 GLU 195 H 0.05 0.18 0.06 -0.55 8.60 8.34 2vj9A1 GLU 195 HA 0.06 0.07 0.26 -0.75 4.29 3.92 2vj9A1 GLU 195 HB2 0.03 0.04 0.09 -0.04 2.09 2.21 2vj9A1 GLU 195 HB3 0.04 -0.07 0.14 -0.04 1.99 2.06 2vj9A1 GLU 195 HG2 0.01 0.07 -0.17 -0.04 2.34 2.21 2vj9A1 GLU 195 HG3 0.03 -0.02 -0.01 -0.04 2.34 2.30 2vj9A1 PRO 196 HA 0.13 0.15 0.63 -0.51 4.44 4.85 2vj9A1 PRO 196 HB2 0.09 -0.19 0.02 -0.04 2.28 2.15 2vj9A1 PRO 196 HB3 0.10 0.25 0.15 -0.04 2.02 2.47 2vj9A1 PRO 196 HG2 0.08 -0.09 -0.04 -0.04 2.03 1.93 2vj9A1 PRO 196 HG3 0.08 0.17 0.00 -0.04 2.03 2.24 2vj9A1 PRO 196 HD2 0.07 -0.03 0.22 -0.04 3.68 3.90 2vj9A1 PRO 196 HD3 0.07 0.25 0.20 -0.04 3.65 4.13 2vj9A1 PHE 197 H 0.23 0.24 0.15 -0.55 8.34 8.40 2vj9A1 PHE 197 HA -0.04 0.08 0.29 -0.75 4.62 4.20 2vj9A1 PHE 197 HB2 -0.21 0.06 0.10 -0.04 3.15 3.06 2vj9A1 PHE 197 HB3 -0.13 0.01 0.06 -0.04 3.06 2.97 2vj9A1 PHE 197 HD2 -0.18 0.01 -0.16 -0.04 7.28 6.91 2vj9A1 PHE 197 HE2 -0.16 0.03 -0.14 -0.04 7.38 7.06 2vj9A1 PHE 197 HZ -0.16 0.04 -0.17 -0.04 7.32 6.98 2vj9A1 PHE 198 H 0.22 0.21 -0.12 -0.55 8.34 8.10 2vj9A1 PHE 198 HA -0.26 0.06 0.29 -0.75 4.62 3.95 2vj9A1 PHE 198 HB2 -0.04 0.02 0.06 -0.04 3.15 3.15 2vj9A1 PHE 198 HB3 -0.02 0.07 -0.03 -0.04 3.06 3.04 2vj9A1 PHE 198 HD2 -0.02 0.00 -0.13 -0.04 7.28 7.09 2vj9A1 PHE 198 HE2 0.07 -0.05 -0.06 -0.04 7.38 7.29 2vj9A1 PHE 198 HZ 0.17 0.13 -0.07 -0.04 7.32 7.51 2vj9A1 ASP 199 H 0.06 0.15 -0.37 -0.55 8.40 7.70 2vj9A1 ASP 199 HA 0.03 0.05 0.44 -0.75 4.63 4.40 2vj9A1 ASP 199 HB2 0.03 0.20 0.08 -0.04 2.71 2.98 2vj9A1 ASP 199 HB3 0.03 0.01 -0.01 -0.04 2.70 2.68 2vj9A1 SER 200 H -0.14 0.43 -0.18 -0.55 8.46 8.02 2vj9A1 SER 200 HA -0.11 0.03 0.47 -0.75 4.49 4.12 2vj9A1 SER 200 HB2 -0.30 0.08 0.09 -0.04 3.95 3.79 2vj9A1 SER 200 HB3 -0.14 0.08 0.04 -0.04 3.93 3.87 2vj9A1 LEU 201 H -0.59 0.53 -0.16 -0.55 8.37 7.60 2vj9A1 LEU 201 HA -0.40 -0.01 0.31 -0.75 4.35 3.49 2vj9A1 LEU 201 HB2 -1.01 -0.01 0.01 -0.04 1.64 0.58 2vj9A1 LEU 201 HB3 -0.83 0.11 0.13 -0.04 1.64 1.02 2vj9A1 LEU 201 HG -0.39 0.02 -0.29 -0.04 1.64 0.93 2vj9A1 LEU 201 HD13 -0.19 -0.01 -0.08 -0.04 0.93 0.60 2vj9A1 LEU 201 HD23 -0.47 -0.01 -0.07 -0.04 0.89 0.30 2vj9A1 VAL 202 H -0.39 0.53 -0.14 -0.55 8.24 7.69 2vj9A1 VAL 202 HA -0.19 0.07 0.29 -0.75 4.13 3.55 2vj9A1 VAL 202 HB -0.09 0.04 0.13 -0.04 2.12 2.15 2vj9A1 VAL 202 HG13 0.00 0.01 -0.14 -0.04 0.97 0.81 2vj9A1 VAL 202 HG23 -0.24 0.03 -0.05 -0.04 0.95 0.65 2vj9A1 LYS 203 H -0.12 0.47 -0.17 -0.55 8.42 8.04 2vj9A1 LYS 203 HA -0.03 0.00 0.41 -0.75 4.32 3.94 2vj9A1 LYS 203 HB2 -0.07 0.06 0.20 -0.04 1.87 2.01 2vj9A1 LYS 203 HB3 -0.04 -0.07 0.00 -0.04 1.79 1.65 2vj9A1 LYS 203 HG2 -0.01 -0.05 0.05 -0.04 1.46 1.40 2vj9A1 LYS 203 HG3 -0.03 0.15 0.08 -0.04 1.46 1.63 2vj9A1 LYS 203 HD2 -0.02 -0.02 -0.05 -0.04 1.69 1.56 2vj9A1 LYS 203 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.60 2vj9A1 LYS 203 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.94 2vj9A1 LYS 203 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.89 2vj9A1 GLN 204 H -0.13 0.48 -0.17 -0.55 8.47 8.10 2vj9A1 GLN 204 HA -0.07 0.06 0.50 -0.75 4.36 4.10 2vj9A1 GLN 204 HB2 -0.13 0.07 0.10 -0.04 2.15 2.16 2vj9A1 GLN 204 HB3 -0.09 -0.08 0.15 -0.04 2.02 1.96 2vj9A1 GLN 204 HG2 -0.06 -0.05 0.03 -0.04 2.40 2.29 2vj9A1 GLN 204 HG3 -0.08 0.03 0.06 -0.04 2.39 2.36 2vj9A1 GLN 204 HE21 -0.04 0.56 0.21 -0.04 6.97 7.65 2vj9A1 GLN 204 HE22 -0.06 -0.06 0.09 -0.04 7.69 7.62 2vj9A1 THR 205 H -0.13 0.40 -0.21 -0.55 8.28 7.79 2vj9A1 THR 205 HA -0.26 0.17 0.94 -0.75 4.39 4.49 2vj9A1 THR 205 HB -0.15 -0.17 0.16 -0.04 4.32 4.12 2vj9A1 THR 205 HG23 -0.14 0.00 -0.16 -0.04 1.22 0.89 2vj9A1 HIS 206 H -0.17 0.08 0.11 -0.55 8.41 7.89 2vj9A1 HIS 206 HA -0.02 0.27 0.75 -0.75 4.63 4.87 2vj9A1 HIS 206 HB2 -0.01 -0.03 0.06 -0.04 3.26 3.24 2vj9A1 HIS 206 HB3 -0.01 -0.01 0.15 -0.04 3.20 3.29 2vj9A1 HIS 206 HD2 -0.02 0.14 -0.17 -0.04 6.97 6.88 2vj9A1 HIS 206 HE1 -0.01 -0.03 -0.00 -0.04 7.75 7.67 2vj9A1 VAL 207 H -0.04 0.04 -0.32 -0.55 8.24 7.37 2vj9A1 VAL 207 HA 0.03 0.06 0.33 -0.75 4.13 3.79 2vj9A1 VAL 207 HB -0.14 0.01 -0.08 -0.04 2.12 1.88 2vj9A1 VAL 207 HG13 -0.00 0.06 -0.15 -0.04 0.97 0.84 2vj9A1 VAL 207 HG23 -0.05 -0.03 -0.04 -0.04 0.95 0.79 2vj9A1 PRO 208 HA 0.06 0.06 0.48 -0.51 4.44 4.53 2vj9A1 PRO 208 HB2 0.10 -0.01 0.04 -0.04 2.28 2.36 2vj9A1 PRO 208 HB3 0.07 -0.04 0.10 -0.04 2.02 2.10 2vj9A1 PRO 208 HG2 0.06 0.20 0.20 -0.04 2.03 2.45 2vj9A1 PRO 208 HG3 0.05 0.03 0.15 -0.04 2.03 2.21 2vj9A1 PRO 208 HD2 0.07 0.03 0.31 -0.04 3.68 4.05 2vj9A1 PRO 208 HD3 0.06 0.15 0.27 -0.04 3.65 4.09 2vj9A1 ASN 209 H 0.10 0.12 0.12 -0.55 8.53 8.32 2vj9A1 ASN 209 HA 0.32 0.16 0.44 -0.75 4.76 4.93 2vj9A1 ASN 209 HB2 0.12 0.11 0.12 -0.04 2.88 3.19 2vj9A1 ASN 209 HB3 0.13 -0.08 0.23 -0.04 2.79 3.02 2vj9A1 ASN 209 HD21 0.20 0.02 -0.10 -0.04 7.03 7.10 2vj9A1 ASN 209 HD22 0.13 0.04 -0.06 -0.04 7.74 7.80 2vj9A1 LEU 210 H 0.40 0.67 0.17 -0.55 8.37 9.08 2vj9A1 LEU 210 HA 0.04 0.11 0.78 -0.75 4.35 4.53 2vj9A1 LEU 210 HB2 0.06 -0.02 -0.22 -0.04 1.64 1.41 2vj9A1 LEU 210 HB3 0.10 0.00 -0.34 -0.04 1.64 1.36 2vj9A1 LEU 210 HG -0.06 0.07 -0.27 -0.04 1.64 1.34 2vj9A1 LEU 210 HD13 0.01 -0.02 -0.21 -0.04 0.93 0.67 2vj9A1 LEU 210 HD23 0.04 -0.01 -0.59 -0.04 0.89 0.28 2vj9A1 PHE 211 H -0.37 0.51 0.35 -0.55 8.34 8.27 2vj9A1 PHE 211 HA 0.05 0.19 0.66 -0.75 4.62 4.76 2vj9A1 PHE 211 HB2 -0.03 0.06 0.10 -0.04 3.15 3.23 2vj9A1 PHE 211 HB3 -0.03 0.00 0.07 -0.04 3.06 3.06 2vj9A1 PHE 211 HD2 -0.71 0.01 -0.21 -0.04 7.28 6.33 2vj9A1 PHE 211 HE2 -0.81 0.03 -0.05 -0.04 7.38 6.50 2vj9A1 PHE 211 HZ -1.04 -0.01 -0.04 -0.04 7.32 6.19 2vj9A1 SER 212 H 0.17 0.57 0.37 -0.55 8.46 9.03 2vj9A1 SER 212 HA -0.14 0.19 1.15 -0.75 4.49 4.93 2vj9A1 SER 212 HB2 -0.75 0.02 -0.06 -0.04 3.95 3.12 2vj9A1 SER 212 HB3 -0.27 -0.04 -0.06 -0.04 3.93 3.52 2vj9A1 LEU 213 H -0.13 0.73 0.39 -0.55 8.37 8.82 2vj9A1 LEU 213 HA 0.06 0.29 1.20 -0.75 4.35 5.14 2vj9A1 LEU 213 HB2 0.13 -0.00 0.16 -0.04 1.64 1.89 2vj9A1 LEU 213 HB3 -0.01 0.02 -0.04 -0.04 1.64 1.57 2vj9A1 LEU 213 HG 0.17 -0.06 -0.28 -0.04 1.64 1.43 2vj9A1 LEU 213 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.72 2vj9A1 LEU 213 HD23 -0.02 0.04 -0.02 -0.04 0.89 0.85 2vj9A1 GLN 214 H 0.08 0.77 0.33 -0.55 8.47 9.10 2vj9A1 GLN 214 HA 0.13 0.32 1.02 -0.75 4.36 5.08 2vj9A1 GLN 214 HB2 0.34 -0.02 0.06 -0.04 2.15 2.50 2vj9A1 GLN 214 HB3 0.10 -0.15 0.31 -0.04 2.02 2.24 2vj9A1 GLN 214 HG2 0.05 0.07 -0.19 -0.04 2.40 2.29 2vj9A1 GLN 214 HG3 0.11 0.06 0.03 -0.04 2.39 2.55 2vj9A1 GLN 214 HE21 -0.02 0.04 -0.00 -0.04 6.97 6.95 2vj9A1 GLN 214 HE22 0.01 -0.11 0.07 -0.04 7.69 7.62 2vj9A1 LEU 215 H -0.06 0.34 0.04 -0.55 8.37 8.14 2vj9A1 LEU 215 HA -0.38 0.17 0.80 -0.75 4.35 4.18 2vj9A1 LEU 215 HB2 -0.22 0.01 -0.02 -0.04 1.64 1.37 2vj9A1 LEU 215 HB3 -1.04 0.05 -0.05 -0.04 1.64 0.56 2vj9A1 LEU 215 HG -0.18 -0.02 -0.14 -0.04 1.64 1.26 2vj9A1 LEU 215 HD13 -0.23 -0.01 -0.03 -0.04 0.93 0.63 2vj9A1 LEU 215 HD23 -0.56 0.00 -0.22 -0.04 0.89 0.08 2vj9A1 CYS 216 H 0.03 0.82 0.28 -0.55 8.50 9.08 2vj9A1 CYS 216 HA 0.03 0.14 0.82 -0.75 4.58 4.81 2vj9A1 CYS 216 HB2 0.06 0.19 0.03 -0.04 2.97 3.20 2vj9A1 CYS 216 HB3 0.03 0.01 0.06 -0.04 2.97 3.04 2vj9A1 GLY 232 HA2 0.02 0.06 0.21 -0.51 4.01 3.80 2vj9A1 GLY 232 HA3 0.02 -0.08 0.39 -0.51 4.01 3.83 2vj9A1 GLY 233 H 0.01 0.30 0.29 -0.55 8.43 8.49 2vj9A1 GLY 233 HA2 0.01 -0.03 0.37 -0.51 4.01 3.86 2vj9A1 GLY 233 HA3 -0.01 0.22 0.86 -0.51 4.01 4.57 2vj9A1 SER 234 H 0.02 0.60 0.37 -0.55 8.46 8.90 2vj9A1 SER 234 HA 0.02 0.07 1.03 -0.75 4.49 4.86 2vj9A1 SER 234 HB2 0.08 -0.02 0.09 -0.04 3.95 4.05 2vj9A1 SER 234 HB3 0.06 0.15 -0.03 -0.04 3.93 4.06 2vj9A1 MET 235 H 0.03 0.27 0.12 -0.55 8.47 8.34 2vj9A1 MET 235 HA 0.08 0.32 1.03 -0.75 4.52 5.19 2vj9A1 MET 235 HB2 -0.01 -0.02 0.01 -0.04 2.15 2.09 2vj9A1 MET 235 HB3 0.02 0.04 0.13 -0.04 2.03 2.18 2vj9A1 MET 235 HG2 0.05 -0.04 -0.33 -0.04 2.63 2.26 2vj9A1 MET 235 HG3 0.04 0.05 -0.06 -0.04 2.56 2.55 2vj9A1 MET 235 HE3 -0.04 0.01 -0.06 -0.04 2.10 1.97 2vj9A1 ILE 236 H 0.14 0.58 0.18 -0.55 8.25 8.60 2vj9A1 ILE 236 HA 0.11 0.19 0.86 -0.75 4.18 4.59 2vj9A1 ILE 236 HB 0.18 0.01 0.12 -0.04 1.89 2.15 2vj9A1 ILE 236 HG12 0.20 0.02 -0.20 -0.04 1.49 1.47 2vj9A1 ILE 236 HG13 0.17 -0.11 -0.13 -0.04 1.21 1.10 2vj9A1 ILE 236 HG23 0.12 -0.03 -0.33 -0.04 0.93 0.65 2vj9A1 ILE 236 HD13 0.08 0.05 -0.35 -0.04 0.88 0.62 2vj9A1 ILE 237 H 0.12 0.25 0.15 -0.55 8.25 8.22 2vj9A1 ILE 237 HA 0.28 0.08 0.88 -0.75 4.18 4.67 2vj9A1 ILE 237 HB 0.11 0.01 0.19 -0.04 1.89 2.16 2vj9A1 ILE 237 HG12 0.19 -0.03 -0.07 -0.04 1.49 1.54 2vj9A1 ILE 237 HG13 0.10 0.05 -0.06 -0.04 1.21 1.26 2vj9A1 ILE 237 HG23 0.19 0.01 -0.10 -0.04 0.93 0.99 2vj9A1 ILE 237 HD13 0.12 0.00 -0.01 -0.04 0.88 0.95 2vj9A1 GLY 238 H 0.30 0.67 0.48 -0.55 8.43 9.33 2vj9A1 GLY 238 HA2 0.18 0.18 0.42 -0.51 4.01 4.28 2vj9A1 GLY 238 HA3 0.12 0.04 0.56 -0.51 4.01 4.22 2vj9A1 GLY 239 H 0.14 0.20 -0.42 -0.55 8.43 7.80 2vj9A1 GLY 239 HA2 0.08 0.14 0.61 -0.51 4.01 4.33 2vj9A1 GLY 239 HA3 0.09 0.05 0.01 -0.51 4.01 3.66 2vj9A1 ILE 240 H 0.09 0.26 0.03 -0.55 8.25 8.08 2vj9A1 ILE 240 HA 0.19 0.15 0.73 -0.75 4.18 4.49 2vj9A1 ILE 240 HB 0.03 0.00 0.01 -0.04 1.89 1.89 2vj9A1 ILE 240 HG12 0.00 0.04 -0.21 -0.04 1.49 1.28 2vj9A1 ILE 240 HG13 0.04 -0.06 -0.44 -0.04 1.21 0.71 2vj9A1 ILE 240 HG23 0.08 -0.00 -0.33 -0.04 0.93 0.64 2vj9A1 ILE 240 HD13 0.02 0.01 -0.16 -0.04 0.88 0.71 2vj9A1 ASP 241 H 0.22 0.21 -0.04 -0.55 8.40 8.24 2vj9A1 ASP 241 HA 0.08 0.17 0.76 -0.75 4.63 4.88 2vj9A1 ASP 241 HB2 0.07 0.05 -0.08 -0.04 2.71 2.72 2vj9A1 ASP 241 HB3 -0.03 -0.01 0.06 -0.04 2.70 2.68 2vj9A1 HIS 242 H 0.17 0.24 0.12 -0.55 8.41 8.39 2vj9A1 HIS 242 HA -0.24 0.11 0.23 -0.75 4.63 3.98 2vj9A1 HIS 242 HB2 -0.10 -0.01 0.07 -0.04 3.26 3.19 2vj9A1 HIS 242 HB3 -0.24 0.08 0.04 -0.04 3.20 3.03 2vj9A1 HIS 242 HD2 0.03 0.03 0.05 -0.04 6.97 7.04 2vj9A1 HIS 242 HE1 0.10 0.00 -0.05 -0.04 7.75 7.76 2vj9A1 SER 243 H -0.04 0.02 -0.31 -0.55 8.46 7.59 2vj9A1 SER 243 HA -0.11 0.17 0.43 -0.75 4.49 4.22 2vj9A1 SER 243 HB2 -0.05 0.05 0.09 -0.04 3.95 4.00 2vj9A1 SER 243 HB3 -0.04 -0.03 0.05 -0.04 3.93 3.87 2vj9A1 LEU 244 H -0.24 0.29 -0.58 -0.55 8.37 7.30 2vj9A1 LEU 244 HA -0.13 0.15 0.66 -0.75 4.35 4.27 2vj9A1 LEU 244 HB2 -0.80 0.15 0.00 -0.04 1.64 0.95 2vj9A1 LEU 244 HB3 -0.37 -0.06 0.06 -0.04 1.64 1.24 2vj9A1 LEU 244 HG -0.13 -0.10 -0.17 -0.04 1.64 1.20 2vj9A1 LEU 244 HD13 0.00 -0.02 -0.07 -0.04 0.93 0.80 2vj9A1 LEU 244 HD23 -0.05 0.02 -0.10 -0.04 0.89 0.72 2vj9A1 TYR 245 H -0.33 0.34 -0.15 -0.55 8.29 7.60 2vj9A1 TYR 245 HA -0.08 0.12 0.74 -0.75 4.56 4.59 2vj9A1 TYR 245 HB2 0.02 0.18 -0.05 -0.04 3.06 3.16 2vj9A1 TYR 245 HB3 -0.11 -0.11 -0.27 -0.04 2.98 2.45 2vj9A1 TYR 245 HD2 -0.25 0.08 -0.36 -0.04 7.15 6.58 2vj9A1 TYR 245 HE2 -0.16 0.00 -0.26 -0.04 6.85 6.40 2vj9A1 THR 246 H 0.11 0.59 0.14 -0.55 8.28 8.58 2vj9A1 THR 246 HA -0.09 0.17 0.82 -0.75 4.39 4.54 2vj9A1 THR 246 HB -0.01 -0.08 0.07 -0.04 4.32 4.26 2vj9A1 THR 246 HG23 -0.04 0.00 -0.19 -0.04 1.22 0.95 2vj9A1 GLY 247 H 0.02 0.08 0.13 -0.55 8.43 8.12 2vj9A1 GLY 247 HA2 0.06 -0.01 0.35 -0.51 4.01 3.91 2vj9A1 GLY 247 HA3 0.10 0.08 0.54 -0.51 4.01 4.22 2vj9A1 SER 248 H 0.13 0.13 0.23 -0.55 8.46 8.40 2vj9A1 SER 248 HA 0.03 0.11 0.66 -0.75 4.49 4.54 2vj9A1 SER 248 HB2 0.05 0.00 0.08 -0.04 3.95 4.04 2vj9A1 SER 248 HB3 -0.42 0.09 -0.05 -0.04 3.93 3.52 2vj9A1 LEU 249 H -0.15 0.11 0.11 -0.55 8.37 7.89 2vj9A1 LEU 249 HA -0.28 0.31 0.78 -0.75 4.35 4.41 2vj9A1 LEU 249 HB2 -0.25 -0.04 0.08 -0.04 1.64 1.38 2vj9A1 LEU 249 HB3 -0.66 -0.03 -0.17 -0.04 1.64 0.74 2vj9A1 LEU 249 HG -0.85 0.04 -0.19 -0.04 1.64 0.59 2vj9A1 LEU 249 HD13 -0.28 -0.02 -0.15 -0.04 0.93 0.44 2vj9A1 LEU 249 HD23 -0.51 0.00 -0.38 -0.04 0.89 -0.04 2vj9A1 TRP 250 H -0.19 0.78 0.31 -0.55 7.97 8.31 2vj9A1 TRP 250 HA -0.40 0.12 0.90 -0.75 4.62 4.49 2vj9A1 TRP 250 HB2 -1.02 0.06 0.08 -0.04 3.23 2.30 2vj9A1 TRP 250 HB3 -1.96 0.01 -0.10 -0.04 3.23 1.14 2vj9A1 TRP 250 HD1 -0.20 0.18 -0.22 -0.04 7.22 6.95 2vj9A1 TRP 250 HE1 -0.07 0.01 -0.06 -0.04 10.20 10.05 2vj9A1 TRP 250 HE3 -0.17 0.02 -0.05 -0.04 7.59 7.35 2vj9A1 TRP 250 HZ2 -0.06 0.13 -0.15 -0.04 7.44 7.32 2vj9A1 TRP 250 HZ3 0.03 -0.02 -0.04 -0.04 7.13 7.06 2vj9A1 TRP 250 HH2 -0.04 0.05 -0.23 -0.04 7.19 6.93 2vj9A1 TYR 251 H 0.04 0.14 0.12 -0.55 8.29 8.03 2vj9A1 TYR 251 HA 0.03 0.35 1.00 -0.75 4.56 5.18 2vj9A1 TYR 251 HB2 -0.01 -0.06 0.02 -0.04 3.06 2.97 2vj9A1 TYR 251 HB3 0.02 0.06 -0.21 -0.04 2.98 2.81 2vj9A1 TYR 251 HD2 -0.12 0.02 -0.35 -0.04 7.15 6.65 2vj9A1 TYR 251 HE2 -0.16 -0.00 -0.16 -0.04 6.85 6.49 2vj9A1 THR 252 H 0.33 0.70 0.35 -0.55 8.28 9.11 2vj9A1 THR 252 HA 0.33 0.36 0.90 -0.75 4.39 5.22 2vj9A1 THR 252 HB 0.39 -0.07 -0.06 -0.04 4.32 4.55 2vj9A1 THR 252 HG23 0.28 0.01 -0.01 -0.04 1.22 1.46 2vj9A1 PRO 253 HA 0.11 0.14 0.57 -0.51 4.44 4.76 2vj9A1 PRO 253 HB2 0.09 -0.06 -0.08 -0.04 2.28 2.19 2vj9A1 PRO 253 HB3 0.08 0.11 0.07 -0.04 2.02 2.23 2vj9A1 PRO 253 HG2 0.09 0.04 0.01 -0.04 2.03 2.13 2vj9A1 PRO 253 HG3 0.10 0.00 -0.02 -0.04 2.03 2.07 2vj9A1 PRO 253 HD2 0.13 0.02 0.09 -0.04 3.68 3.88 2vj9A1 PRO 253 HD3 0.19 0.16 -0.15 -0.04 3.65 3.81 2vj9A1 ILE 254 H 0.11 0.59 0.16 -0.55 8.25 8.55 2vj9A1 ILE 254 HA 0.17 0.26 0.81 -0.75 4.18 4.66 2vj9A1 ILE 254 HB 0.12 0.03 -0.04 -0.04 1.89 1.96 2vj9A1 ILE 254 HG12 0.27 0.01 -0.17 -0.04 1.49 1.56 2vj9A1 ILE 254 HG13 0.16 -0.07 -0.37 -0.04 1.21 0.89 2vj9A1 ILE 254 HG23 0.16 -0.06 -0.22 -0.04 0.93 0.78 2vj9A1 ILE 254 HD13 0.36 -0.02 -0.20 -0.04 0.88 0.98 2vj9A1 ARG 255 H 0.15 0.59 0.18 -0.55 8.46 8.84 2vj9A1 ARG 255 HA 0.08 0.06 0.23 -0.75 4.34 3.95 2vj9A1 ARG 255 HB2 0.11 -0.02 -0.06 -0.04 1.90 1.89 2vj9A1 ARG 255 HB3 0.17 -0.04 -0.04 -0.04 1.80 1.85 2vj9A1 ARG 255 HG2 0.12 -0.04 -0.08 -0.04 1.67 1.64 2vj9A1 ARG 255 HG3 0.07 0.01 -0.28 -0.04 1.67 1.44 2vj9A1 ARG 255 HD2 0.05 0.02 0.05 -0.04 3.22 3.30 2vj9A1 ARG 255 HD3 0.08 -0.03 -0.02 -0.04 3.22 3.21 2vj9A1 ARG 256 H 0.17 0.21 -0.00 -0.55 8.46 8.28 2vj9A1 ARG 256 HA -0.04 0.15 0.56 -0.75 4.34 4.25 2vj9A1 ARG 256 HB2 -0.06 0.08 -0.24 -0.04 1.90 1.63 2vj9A1 ARG 256 HB3 -0.02 -0.09 -0.04 -0.04 1.80 1.60 2vj9A1 ARG 256 HG2 -0.20 -0.05 0.03 -0.04 1.67 1.41 2vj9A1 ARG 256 HG3 -0.28 0.05 -0.00 -0.04 1.67 1.39 2vj9A1 ARG 256 HD2 -0.82 -0.13 -0.40 -0.04 3.22 1.84 2vj9A1 ARG 256 HD3 -0.54 0.05 -0.17 -0.04 3.22 2.53 2vj9A1 GLU 257 H -0.15 0.21 0.05 -0.55 8.60 8.16 2vj9A1 GLU 257 HA -0.41 0.17 0.67 -0.75 4.29 3.97 2vj9A1 GLU 257 HB2 -0.39 0.00 0.22 -0.04 2.09 1.88 2vj9A1 GLU 257 HB3 -1.50 -0.03 0.11 -0.04 1.99 0.54 2vj9A1 GLU 257 HG2 -0.72 0.01 0.00 -0.04 2.34 1.58 2vj9A1 GLU 257 HG3 -0.25 -0.01 -0.12 -0.04 2.34 1.91 2vj9A1 TRP 258 H 0.52 0.55 0.05 -0.55 7.97 8.55 2vj9A1 TRP 258 HA -0.06 -0.00 0.41 -0.75 4.62 4.21 2vj9A1 TRP 258 HB2 -0.22 0.01 -0.03 -0.04 3.23 2.95 2vj9A1 TRP 258 HB3 -0.09 0.09 -0.03 -0.04 3.23 3.16 2vj9A1 TRP 258 HD1 0.03 0.29 -0.06 -0.04 7.22 7.44 2vj9A1 TRP 258 HE1 0.13 -0.00 -0.01 -0.04 10.20 10.28 2vj9A1 TRP 258 HE3 -0.07 0.03 -0.09 -0.04 7.59 7.42 2vj9A1 TRP 258 HZ2 0.13 0.02 -0.05 -0.04 7.44 7.50 2vj9A1 TRP 258 HZ3 0.12 0.03 -0.05 -0.04 7.13 7.18 2vj9A1 TRP 258 HH2 0.12 0.02 -0.06 -0.04 7.19 7.22 2vj9A1 TYR 259 H -1.22 0.12 0.08 -0.55 8.29 6.72 2vj9A1 TYR 259 HA -0.15 0.15 0.68 -0.75 4.56 4.49 2vj9A1 TYR 259 HB2 -0.57 -0.01 -0.08 -0.04 3.06 2.36 2vj9A1 TYR 259 HB3 -0.19 0.01 0.04 -0.04 2.98 2.80 2vj9A1 TYR 259 HD2 -1.33 -0.01 -0.03 -0.04 7.15 5.73 2vj9A1 TYR 259 HE2 -0.67 0.08 -0.05 -0.04 6.85 6.17 2vj9A1 TYR 260 H 0.30 0.27 0.11 -0.55 8.29 8.42 2vj9A1 TYR 260 HA 0.32 0.16 0.79 -0.75 4.56 5.08 2vj9A1 TYR 260 HB2 0.27 0.09 0.31 -0.04 3.06 3.68 2vj9A1 TYR 260 HB3 0.24 0.01 0.11 -0.04 2.98 3.30 2vj9A1 TYR 260 HD2 0.23 0.12 0.07 -0.04 7.15 7.53 2vj9A1 TYR 260 HE2 0.01 -0.03 -0.19 -0.04 6.85 6.60 2vj9A1 GLU 261 H 0.29 0.43 0.02 -0.55 8.60 8.80 2vj9A1 GLU 261 HA 0.18 0.28 0.79 -0.75 4.29 4.78 2vj9A1 GLU 261 HB2 0.47 -0.07 0.06 -0.04 2.09 2.51 2vj9A1 GLU 261 HB3 0.40 -0.11 0.21 -0.04 1.99 2.45 2vj9A1 GLU 261 HG2 0.22 0.08 -0.06 -0.04 2.34 2.54 2vj9A1 GLU 261 HG3 0.24 0.01 0.19 -0.04 2.34 2.75 2vj9A1 VAL 262 H 0.14 0.62 0.37 -0.55 8.24 8.82 2vj9A1 VAL 262 HA 0.13 0.28 0.85 -0.75 4.13 4.64 2vj9A1 VAL 262 HB 0.09 -0.03 0.07 -0.04 2.12 2.20 2vj9A1 VAL 262 HG13 0.17 0.04 -0.31 -0.04 0.97 0.83 2vj9A1 VAL 262 HG23 0.08 -0.01 -0.28 -0.04 0.95 0.69 2vj9A1 ILE 263 H 0.07 0.26 0.16 -0.55 8.25 8.19 2vj9A1 ILE 263 HA 0.08 0.19 0.99 -0.75 4.18 4.68 2vj9A1 ILE 263 HB 0.06 -0.00 0.13 -0.04 1.89 2.04 2vj9A1 ILE 263 HG12 0.10 -0.03 -0.31 -0.04 1.49 1.20 2vj9A1 ILE 263 HG13 0.08 0.01 -0.06 -0.04 1.21 1.19 2vj9A1 ILE 263 HG23 0.07 -0.01 -0.32 -0.04 0.93 0.63 2vj9A1 ILE 263 HD13 0.11 0.04 -0.08 -0.04 0.88 0.91 2vj9A1 ILE 264 H 0.06 0.20 0.06 -0.55 8.25 8.02 2vj9A1 ILE 264 HA -0.06 0.25 0.96 -0.75 4.18 4.57 2vj9A1 ILE 264 HB 0.07 0.01 0.04 -0.04 1.89 1.96 2vj9A1 ILE 264 HG12 -0.11 0.03 -0.11 -0.04 1.49 1.27 2vj9A1 ILE 264 HG13 -0.02 -0.09 -0.19 -0.04 1.21 0.87 2vj9A1 ILE 264 HG23 -0.18 -0.01 -0.11 -0.04 0.93 0.59 2vj9A1 ILE 264 HD13 -0.03 0.03 -0.04 -0.04 0.88 0.80 2vj9A1 VAL 265 H -0.03 0.66 0.26 -0.55 8.24 8.59 2vj9A1 VAL 265 HA 0.10 0.18 0.82 -0.75 4.13 4.48 2vj9A1 VAL 265 HB 0.01 -0.01 0.02 -0.04 2.12 2.10 2vj9A1 VAL 265 HG13 0.02 0.01 -0.18 -0.04 0.97 0.78 2vj9A1 VAL 265 HG23 -0.02 0.02 -0.31 -0.04 0.95 0.60 2vj9A1 ARG 266 H -0.07 0.29 0.13 -0.55 8.46 8.26 2vj9A1 ARG 266 HA -0.00 0.07 0.63 -0.75 4.34 4.28 2vj9A1 ARG 266 HB2 -0.27 0.14 -0.32 -0.04 1.90 1.41 2vj9A1 ARG 266 HB3 -0.55 -0.06 -0.10 -0.04 1.80 1.05 2vj9A1 ARG 266 HG2 -0.43 -0.01 -0.28 -0.04 1.67 0.91 2vj9A1 ARG 266 HG3 -0.24 -0.02 0.05 -0.04 1.67 1.41 2vj9A1 ARG 266 HD2 -0.53 0.03 -0.09 -0.04 3.22 2.59 2vj9A1 ARG 266 HD3 -1.79 -0.01 -0.16 -0.04 3.22 1.21 2vj9A1 VAL 267 H -0.24 0.15 0.18 -0.55 8.24 7.78 2vj9A1 VAL 267 HA -0.14 0.38 1.04 -0.75 4.13 4.65 2vj9A1 VAL 267 HB -0.39 -0.10 0.08 -0.04 2.12 1.67 2vj9A1 VAL 267 HG13 -0.13 0.03 -0.13 -0.04 0.97 0.70 2vj9A1 VAL 267 HG23 -0.81 -0.00 -0.16 -0.04 0.95 -0.06 2vj9A1 GLU 268 H -0.01 0.65 0.30 -0.55 8.60 9.00 2vj9A1 GLU 268 HA -0.02 0.32 0.76 -0.75 4.29 4.59 2vj9A1 GLU 268 HB2 0.08 -0.03 -0.05 -0.04 2.09 2.05 2vj9A1 GLU 268 HB3 0.02 -0.12 -0.37 -0.04 1.99 1.47 2vj9A1 GLU 268 HG2 -0.05 0.01 -0.49 -0.04 2.34 1.77 2vj9A1 GLU 268 HG3 -0.08 -0.10 -0.50 -0.04 2.34 1.63 2vj9A1 ILE 269 H 0.00 0.72 0.18 -0.55 8.25 8.59 2vj9A1 ILE 269 HA 0.03 0.25 0.96 -0.75 4.18 4.67 2vj9A1 ILE 269 HB 0.01 0.04 0.11 -0.04 1.89 2.01 2vj9A1 ILE 269 HG12 -0.01 -0.10 -0.31 -0.04 1.49 1.02 2vj9A1 ILE 269 HG13 -0.01 0.03 -0.04 -0.04 1.21 1.15 2vj9A1 ILE 269 HG23 0.05 0.01 -0.18 -0.04 0.93 0.78 2vj9A1 ILE 269 HD13 -0.02 0.03 -0.05 -0.04 0.88 0.81 2vj9A1 ASN 270 H 0.06 0.74 0.23 -0.55 8.53 9.02 2vj9A1 ASN 270 HA 0.06 -0.01 0.37 -0.75 4.76 4.43 2vj9A1 ASN 270 HB2 0.05 -0.01 -0.34 -0.04 2.88 2.53 2vj9A1 ASN 270 HB3 0.03 0.10 0.22 -0.04 2.79 3.10 2vj9A1 ASN 270 HD21 0.02 0.02 0.06 -0.04 7.03 7.09 2vj9A1 ASN 270 HD22 0.02 -0.01 0.10 -0.04 7.74 7.81 2vj9A1 GLY 271 H 0.03 0.03 -0.52 -0.55 8.43 7.42 2vj9A1 GLY 271 HA2 0.02 -0.04 0.15 -0.51 4.01 3.63 2vj9A1 GLY 271 HA3 0.02 0.17 0.50 -0.51 4.01 4.19 2vj9A1 GLN 272 H 0.01 0.50 -0.49 -0.55 8.47 7.95 2vj9A1 GLN 272 HA -0.01 0.09 0.74 -0.75 4.36 4.43 2vj9A1 GLN 272 HB2 -0.00 0.09 0.14 -0.04 2.15 2.34 2vj9A1 GLN 272 HB3 -0.01 0.02 0.00 -0.04 2.02 1.99 2vj9A1 GLN 272 HG2 0.01 0.11 -0.17 -0.04 2.40 2.30 2vj9A1 GLN 272 HG3 0.00 0.00 -0.01 -0.04 2.39 2.35 2vj9A1 GLN 272 HE21 -0.00 -0.04 -0.01 -0.04 6.97 6.88 2vj9A1 GLN 272 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.65 2vj9A1 ASP 273 H -0.03 0.15 0.17 -0.55 8.40 8.15 2vj9A1 ASP 273 HA -0.04 0.13 0.51 -0.75 4.63 4.47 2vj9A1 ASP 273 HB2 -0.06 0.05 0.15 -0.04 2.71 2.80 2vj9A1 ASP 273 HB3 -0.03 0.03 0.13 -0.04 2.70 2.79 2vj9A1 LEU 274 H 0.01 0.48 0.37 -0.55 8.37 8.68 2vj9A1 LEU 274 HA 0.02 0.17 0.56 -0.75 4.35 4.35 2vj9A1 LEU 274 HB2 0.14 -0.08 0.10 -0.04 1.64 1.76 2vj9A1 LEU 274 HB3 0.11 -0.02 -0.01 -0.04 1.64 1.68 2vj9A1 LEU 274 HG -0.01 0.04 -0.13 -0.04 1.64 1.50 2vj9A1 LEU 274 HD13 0.03 -0.02 -0.09 -0.04 0.93 0.81 2vj9A1 LEU 274 HD23 -0.00 0.01 -0.12 -0.04 0.89 0.74 2vj9A1 LYS 275 H 0.05 -0.01 -0.09 -0.55 8.42 7.82 2vj9A1 LYS 275 HA 0.01 -0.01 0.25 -0.75 4.32 3.82 2vj9A1 LYS 275 HB2 -0.00 0.04 -0.31 -0.04 1.87 1.56 2vj9A1 LYS 275 HB3 -0.00 0.21 -0.18 -0.04 1.79 1.77 2vj9A1 LYS 275 HG2 -0.01 -0.02 0.09 -0.04 1.46 1.47 2vj9A1 LYS 275 HG3 -0.01 -0.04 -0.00 -0.04 1.46 1.36 2vj9A1 LYS 275 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.61 2vj9A1 LYS 275 HD3 -0.01 0.03 -0.02 -0.04 1.68 1.65 2vj9A1 LYS 275 HE2 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2vj9A1 LYS 275 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2vj9A1 MET 276 H 0.07 0.02 -0.09 -0.55 8.47 7.92 2vj9A1 MET 276 HA -0.07 0.21 0.86 -0.75 4.52 4.77 2vj9A1 MET 276 HB2 -0.42 -0.05 -0.15 -0.04 2.15 1.49 2vj9A1 MET 276 HB3 -0.22 0.00 0.01 -0.04 2.03 1.79 2vj9A1 MET 276 HG2 -0.02 0.10 -0.11 -0.04 2.63 2.55 2vj9A1 MET 276 HG3 0.06 0.01 -0.33 -0.04 2.56 2.26 2vj9A1 MET 276 HE3 0.10 0.07 -0.10 -0.04 2.10 2.13 2vj9A1 ASP 277 H -0.11 0.15 0.09 -0.55 8.40 7.99 2vj9A1 ASP 277 HA -0.09 0.08 0.57 -0.75 4.63 4.44 2vj9A1 ASP 277 HB2 -0.07 0.08 0.14 -0.04 2.71 2.81 2vj9A1 ASP 277 HB3 -0.10 -0.04 0.11 -0.04 2.70 2.63 2vj9A1 CYS 278 H -0.08 0.18 0.15 -0.55 8.50 8.20 2vj9A1 CYS 278 HA -0.47 0.04 0.10 -0.75 4.58 3.50 2vj9A1 CYS 278 HB2 0.15 0.08 0.12 -0.04 2.97 3.28 2vj9A1 CYS 278 HB3 0.06 0.11 0.13 -0.04 2.97 3.23 2vj9A1 LYS 279 H -0.05 0.02 -0.37 -0.55 8.42 7.46 2vj9A1 LYS 279 HA 0.09 0.48 0.40 -0.75 4.32 4.54 2vj9A1 LYS 279 HB2 0.01 -0.11 -0.08 -0.04 1.87 1.65 2vj9A1 LYS 279 HB3 0.15 0.01 -0.12 -0.04 1.79 1.79 2vj9A1 LYS 279 HG2 0.04 0.24 -0.36 -0.04 1.46 1.33 2vj9A1 LYS 279 HG3 0.00 -0.13 -0.07 -0.04 1.46 1.23 2vj9A1 LYS 279 HD2 -0.05 -0.13 -0.05 -0.04 1.69 1.42 2vj9A1 LYS 279 HD3 -0.09 0.06 -0.05 -0.04 1.68 1.57 2vj9A1 LYS 279 HE2 -0.02 -0.09 -0.01 -0.04 2.99 2.82 2vj9A1 LYS 279 HE3 -0.06 -0.10 -0.02 -0.04 2.99 2.77 2vj9A1 GLU 280 H -0.16 0.46 -0.36 -0.55 8.60 7.99 2vj9A1 GLU 280 HA 0.04 0.04 0.38 -0.75 4.29 3.99 2vj9A1 GLU 280 HB2 -0.37 0.11 -0.02 -0.04 2.09 1.77 2vj9A1 GLU 280 HB3 -0.07 -0.10 -0.02 -0.04 1.99 1.77 2vj9A1 GLU 280 HG2 -0.11 -0.02 0.03 -0.04 2.34 2.19 2vj9A1 GLU 280 HG3 -0.12 -0.05 0.04 -0.04 2.34 2.16 2vj9A1 TYR 281 H -0.19 0.40 -0.43 -0.55 8.29 7.53 2vj9A1 TYR 281 HA 0.04 -0.01 0.34 -0.75 4.56 4.18 2vj9A1 TYR 281 HB2 0.03 0.34 0.03 -0.04 3.06 3.42 2vj9A1 TYR 281 HB3 0.01 -0.08 0.01 -0.04 2.98 2.88 2vj9A1 TYR 281 HD2 0.01 0.09 -0.19 -0.04 7.15 7.02 2vj9A1 TYR 281 HE2 -0.02 0.04 -0.13 -0.04 6.85 6.70 2vj9A1 ASN 282 H 0.15 0.35 -0.57 -0.55 8.53 7.92 2vj9A1 ASN 282 HA 0.09 0.14 0.66 -0.75 4.76 4.90 2vj9A1 ASN 282 HB2 0.16 0.18 0.14 -0.04 2.88 3.32 2vj9A1 ASN 282 HB3 0.14 -0.12 0.15 -0.04 2.79 2.92 2vj9A1 ASN 282 HD21 0.14 0.46 0.09 -0.04 7.03 7.68 2vj9A1 ASN 282 HD22 0.13 0.40 0.06 -0.04 7.74 8.29 2vj9A1 TYR 283 H 0.13 0.30 -0.28 -0.55 8.29 7.89 2vj9A1 TYR 283 HA -0.52 0.14 0.76 -0.75 4.56 4.18 2vj9A1 TYR 283 HB2 -0.27 0.07 0.04 -0.04 3.06 2.86 2vj9A1 TYR 283 HB3 -0.12 0.05 0.19 -0.04 2.98 3.06 2vj9A1 TYR 283 HD2 -1.00 -0.01 0.03 -0.04 7.15 6.13 2vj9A1 TYR 283 HE2 -0.11 -0.02 -0.00 -0.04 6.85 6.68 2vj9A1 ASP 284 H -0.48 0.06 -0.10 -0.55 8.40 7.33 2vj9A1 ASP 284 HA -0.52 0.03 0.38 -0.75 4.63 3.77 2vj9A1 ASP 284 HB2 -0.37 -0.01 0.01 -0.04 2.71 2.30 2vj9A1 ASP 284 HB3 -0.06 0.06 -0.14 -0.04 2.70 2.52 2vj9A1 LYS 285 H -0.10 0.18 -0.25 -0.55 8.42 7.70 2vj9A1 LYS 285 HA 0.14 0.13 0.60 -0.75 4.32 4.44 2vj9A1 LYS 285 HB2 0.16 -0.01 0.04 -0.04 1.87 2.01 2vj9A1 LYS 285 HB3 0.28 0.11 -0.18 -0.04 1.79 1.96 2vj9A1 LYS 285 HG2 -0.11 -0.11 -0.23 -0.04 1.46 0.98 2vj9A1 LYS 285 HG3 -0.16 0.04 -0.33 -0.04 1.46 0.97 2vj9A1 LYS 285 HD2 -0.50 -0.06 -0.14 -0.04 1.69 0.95 2vj9A1 LYS 285 HD3 -0.09 0.00 -0.14 -0.04 1.68 1.42 2vj9A1 LYS 285 HE2 -0.55 0.05 -0.09 -0.04 2.99 2.35 2vj9A1 LYS 285 HE3 -1.05 -0.05 -0.08 -0.04 2.99 1.77 2vj9A1 SER 286 H 0.10 0.28 0.27 -0.55 8.46 8.57 2vj9A1 SER 286 HA -0.01 0.33 0.83 -0.75 4.49 4.88 2vj9A1 SER 286 HB2 0.07 0.19 0.17 -0.04 3.95 4.33 2vj9A1 SER 286 HB3 0.03 -0.02 0.01 -0.04 3.93 3.91 2vj9A1 ILE 287 H -0.02 0.56 0.25 -0.55 8.25 8.50 2vj9A1 ILE 287 HA 0.10 0.31 1.07 -0.75 4.18 4.90 2vj9A1 ILE 287 HB 0.04 -0.01 -0.07 -0.04 1.89 1.81 2vj9A1 ILE 287 HG12 -0.14 0.18 0.04 -0.04 1.49 1.53 2vj9A1 ILE 287 HG13 -0.03 -0.11 -0.37 -0.04 1.21 0.67 2vj9A1 ILE 287 HG23 -0.25 -0.01 -0.35 -0.04 0.93 0.28 2vj9A1 ILE 287 HD13 -0.32 -0.01 -0.12 -0.04 0.88 0.39 2vj9A1 VAL 288 H 0.21 0.50 0.24 -0.55 8.24 8.64 2vj9A1 VAL 288 HA 0.12 0.21 0.96 -0.75 4.13 4.67 2vj9A1 VAL 288 HB 0.22 -0.03 0.15 -0.04 2.12 2.42 2vj9A1 VAL 288 HG13 0.10 -0.00 -0.11 -0.04 0.97 0.92 2vj9A1 VAL 288 HG23 0.15 0.02 -0.09 -0.04 0.95 0.99 2vj9A1 ASP 289 H 0.10 0.77 0.07 -0.55 8.40 8.80 2vj9A1 ASP 289 HA 0.11 0.05 0.73 -0.75 4.63 4.77 2vj9A1 ASP 289 HB2 0.03 0.07 -0.36 -0.04 2.71 2.41 2vj9A1 ASP 289 HB3 0.03 0.07 -0.08 -0.04 2.70 2.69 2vj9A1 SER 290 H 0.05 0.07 0.13 -0.55 8.46 8.16 2vj9A1 SER 290 HA 0.05 0.17 0.40 -0.75 4.49 4.36 2vj9A1 SER 290 HB2 -0.02 0.11 0.13 -0.04 3.95 4.13 2vj9A1 SER 290 HB3 0.00 0.03 0.08 -0.04 3.93 3.99 2vj9A1 GLY 291 H 0.02 -0.15 -0.36 -0.55 8.43 7.39 2vj9A1 GLY 291 HA2 -0.04 0.24 0.56 -0.51 4.01 4.26 2vj9A1 GLY 291 HA3 -0.04 -0.09 0.22 -0.51 4.01 3.59 2vj9A1 THR 292 H 0.03 0.25 -0.23 -0.55 8.28 7.78 2vj9A1 THR 292 HA 0.02 0.18 0.87 -0.75 4.39 4.70 2vj9A1 THR 292 HB 0.02 0.05 0.02 -0.04 4.32 4.36 2vj9A1 THR 292 HG23 0.01 0.00 -0.12 -0.04 1.22 1.07 2vj9A1 THR 293 H 0.03 0.15 0.13 -0.55 8.28 8.03 2vj9A1 THR 293 HA 0.07 0.13 0.52 -0.75 4.39 4.36 2vj9A1 THR 293 HB 0.03 -0.06 0.14 -0.04 4.32 4.39 2vj9A1 THR 293 HG23 0.05 -0.03 -0.26 -0.04 1.22 0.93 2vj9A1 ASN 294 H 0.01 0.02 -0.01 -0.55 8.53 8.01 2vj9A1 ASN 294 HA 0.01 0.16 0.27 -0.75 4.76 4.45 2vj9A1 ASN 294 HB2 -0.02 -0.11 -0.11 -0.04 2.88 2.61 2vj9A1 ASN 294 HB3 -0.04 0.23 -0.16 -0.04 2.79 2.78 2vj9A1 ASN 294 HD21 -0.02 0.09 -0.08 -0.04 7.03 6.98 2vj9A1 ASN 294 HD22 -0.04 -0.03 -0.22 -0.04 7.74 7.41 2vj9A1 LEU 295 H -0.01 0.47 0.30 -0.55 8.37 8.59 2vj9A1 LEU 295 HA 0.01 0.17 0.98 -0.75 4.35 4.76 2vj9A1 LEU 295 HB2 0.03 -0.03 0.15 -0.04 1.64 1.75 2vj9A1 LEU 295 HB3 -0.02 0.03 0.26 -0.04 1.64 1.87 2vj9A1 LEU 295 HG 0.00 -0.04 -0.31 -0.04 1.64 1.26 2vj9A1 LEU 295 HD13 0.00 0.04 -0.02 -0.04 0.93 0.92 2vj9A1 LEU 295 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.77 2vj9A1 ARG 296 H -0.01 0.59 0.27 -0.55 8.46 8.75 2vj9A1 ARG 296 HA -0.04 0.29 0.91 -0.75 4.34 4.75 2vj9A1 ARG 296 HB2 -0.04 -0.10 0.11 -0.04 1.90 1.82 2vj9A1 ARG 296 HB3 -0.06 0.05 -0.14 -0.04 1.80 1.61 2vj9A1 ARG 296 HG2 -0.04 0.03 -0.26 -0.04 1.67 1.36 2vj9A1 ARG 296 HG3 -0.02 0.07 -0.21 -0.04 1.67 1.46 2vj9A1 ARG 296 HD2 -0.03 -0.07 -0.07 -0.04 3.22 3.02 2vj9A1 ARG 296 HD3 -0.04 -0.03 -0.06 -0.04 3.22 3.05 2vj9A1 LEU 297 H -0.00 0.68 0.31 -0.55 8.37 8.81 2vj9A1 LEU 297 HA 0.04 0.20 0.94 -0.75 4.35 4.78 2vj9A1 LEU 297 HB2 0.25 -0.03 -0.03 -0.04 1.64 1.78 2vj9A1 LEU 297 HB3 0.14 -0.04 -0.08 -0.04 1.64 1.62 2vj9A1 LEU 297 HG 0.07 -0.00 -0.45 -0.04 1.64 1.22 2vj9A1 LEU 297 HD13 0.10 -0.00 -0.18 -0.04 0.93 0.80 2vj9A1 LEU 297 HD23 0.03 0.03 -0.09 -0.04 0.89 0.82 2vj9A1 PRO 298 HA 0.02 0.30 0.63 -0.51 4.44 4.87 2vj9A1 PRO 298 HB2 0.14 -0.17 0.10 -0.04 2.28 2.30 2vj9A1 PRO 298 HB3 0.13 0.11 0.20 -0.04 2.02 2.42 2vj9A1 PRO 298 HG2 0.10 0.20 0.12 -0.04 2.03 2.41 2vj9A1 PRO 298 HG3 -0.01 0.12 0.07 -0.04 2.03 2.17 2vj9A1 PRO 298 HD2 0.11 0.04 0.20 -0.04 3.68 3.98 2vj9A1 PRO 298 HD3 0.04 0.19 0.11 -0.04 3.65 3.95 2vj9A1 LYS 299 H 0.07 0.31 0.31 -0.55 8.42 8.56 2vj9A1 LYS 299 HA 0.12 0.06 0.35 -0.75 4.32 4.10 2vj9A1 LYS 299 HB2 0.06 0.07 0.17 -0.04 1.87 2.12 2vj9A1 LYS 299 HB3 0.09 -0.03 0.19 -0.04 1.79 2.00 2vj9A1 LYS 299 HG2 0.10 -0.00 -0.27 -0.04 1.46 1.24 2vj9A1 LYS 299 HG3 0.10 0.01 0.02 -0.04 1.46 1.55 2vj9A1 LYS 299 HD2 0.05 0.02 0.02 -0.04 1.69 1.74 2vj9A1 LYS 299 HD3 0.06 -0.00 0.00 -0.04 1.68 1.70 2vj9A1 LYS 299 HE2 0.06 -0.01 -0.04 -0.04 2.99 2.96 2vj9A1 LYS 299 HE3 0.06 0.01 -0.01 -0.04 2.99 3.01 2vj9A1 LYS 300 H 0.11 0.12 -0.15 -0.55 8.42 7.94 2vj9A1 LYS 300 HA 0.07 0.07 0.34 -0.75 4.32 4.05 2vj9A1 LYS 300 HB2 0.04 0.01 0.09 -0.04 1.87 1.97 2vj9A1 LYS 300 HB3 0.06 0.01 0.04 -0.04 1.79 1.86 2vj9A1 LYS 300 HG2 0.03 0.02 -0.20 -0.04 1.46 1.26 2vj9A1 LYS 300 HG3 0.02 0.01 0.03 -0.04 1.46 1.48 2vj9A1 LYS 300 HD2 -0.01 0.01 0.01 -0.04 1.69 1.65 2vj9A1 LYS 300 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 2vj9A1 LYS 300 HE2 -0.04 -0.04 0.01 -0.04 2.99 2.88 2vj9A1 LYS 300 HE3 -0.03 0.02 -0.03 -0.04 2.99 2.91 2vj9A1 VAL 301 H 0.13 0.21 -0.25 -0.55 8.24 7.78 2vj9A1 VAL 301 HA 0.12 0.06 0.39 -0.75 4.13 3.95 2vj9A1 VAL 301 HB 0.16 0.09 0.03 -0.04 2.12 2.36 2vj9A1 VAL 301 HG13 0.17 -0.00 -0.12 -0.04 0.97 0.98 2vj9A1 VAL 301 HG23 0.21 -0.01 -0.12 -0.04 0.95 0.99 2vj9A1 PHE 302 H 0.24 0.69 -0.19 -0.55 8.34 8.53 2vj9A1 PHE 302 HA 0.04 0.02 0.31 -0.75 4.62 4.24 2vj9A1 PHE 302 HB2 0.04 0.07 -0.11 -0.04 3.15 3.11 2vj9A1 PHE 302 HB3 0.04 0.08 0.04 -0.04 3.06 3.18 2vj9A1 PHE 302 HD2 0.05 0.00 -0.18 -0.04 7.28 7.11 2vj9A1 PHE 302 HE2 0.14 0.12 -0.21 -0.04 7.38 7.39 2vj9A1 PHE 302 HZ 0.24 0.32 0.06 -0.04 7.32 7.90 2vj9A1 GLU 303 H 0.16 0.60 -0.15 -0.55 8.60 8.66 2vj9A1 GLU 303 HA -0.18 0.02 0.36 -0.75 4.29 3.73 2vj9A1 GLU 303 HB2 0.05 0.09 0.12 -0.04 2.09 2.30 2vj9A1 GLU 303 HB3 -0.00 -0.03 0.01 -0.04 1.99 1.93 2vj9A1 GLU 303 HG2 0.13 -0.03 0.02 -0.04 2.34 2.42 2vj9A1 GLU 303 HG3 0.23 0.12 0.08 -0.04 2.34 2.73 2vj9A1 ALA 304 H 0.00 0.40 -0.25 -0.55 8.40 8.01 2vj9A1 ALA 304 HA -0.05 0.03 0.50 -0.75 4.34 4.07 2vj9A1 ALA 304 HB3 0.02 0.03 0.10 -0.04 1.41 1.52 2vj9A1 ALA 305 H -0.06 0.61 -0.16 -0.55 8.40 8.24 2vj9A1 ALA 305 HA -0.05 0.00 0.41 -0.75 4.34 3.95 2vj9A1 ALA 305 HB3 -0.05 0.02 0.05 -0.04 1.41 1.38 2vj9A1 VAL 306 H -0.34 0.72 -0.04 -0.55 8.24 8.03 2vj9A1 VAL 306 HA -0.27 0.02 0.40 -0.75 4.13 3.53 2vj9A1 VAL 306 HB -0.43 0.07 0.12 -0.04 2.12 1.84 2vj9A1 VAL 306 HG13 -0.63 -0.02 -0.09 -0.04 0.97 0.18 2vj9A1 VAL 306 HG23 -0.69 0.05 0.01 -0.04 0.95 0.28 2vj9A1 LYS 307 H -0.21 0.49 -0.25 -0.55 8.42 7.89 2vj9A1 LYS 307 HA -0.25 0.00 0.42 -0.75 4.32 3.74 2vj9A1 LYS 307 HB2 -0.11 0.13 0.17 -0.04 1.87 2.02 2vj9A1 LYS 307 HB3 -0.11 -0.05 0.04 -0.04 1.79 1.63 2vj9A1 LYS 307 HG2 -0.14 -0.07 0.04 -0.04 1.46 1.26 2vj9A1 LYS 307 HG3 -0.15 0.16 0.11 -0.04 1.46 1.54 2vj9A1 LYS 307 HD2 -0.06 0.01 -0.02 -0.04 1.69 1.58 2vj9A1 LYS 307 HD3 -0.07 -0.04 0.00 -0.04 1.68 1.54 2vj9A1 LYS 307 HE2 -0.06 -0.04 -0.01 -0.04 2.99 2.84 2vj9A1 LYS 307 HE3 -0.06 0.02 -0.04 -0.04 2.99 2.87 2vj9A1 SER 308 H -0.11 0.44 -0.26 -0.55 8.46 7.98 2vj9A1 SER 308 HA -0.05 0.04 0.49 -0.75 4.49 4.21 2vj9A1 SER 308 HB2 -0.04 0.07 0.12 -0.04 3.95 4.05 2vj9A1 SER 308 HB3 -0.03 0.06 0.13 -0.04 3.93 4.05 2vj9A1 ILE 309 H -0.09 0.61 -0.03 -0.55 8.25 8.19 2vj9A1 ILE 309 HA 0.11 0.03 0.51 -0.75 4.18 4.08 2vj9A1 ILE 309 HB -0.00 0.04 0.13 -0.04 1.89 2.01 2vj9A1 ILE 309 HG12 0.11 -0.04 -0.02 -0.04 1.49 1.50 2vj9A1 ILE 309 HG13 0.02 0.16 0.08 -0.04 1.21 1.42 2vj9A1 ILE 309 HG23 0.61 -0.01 -0.07 -0.04 0.93 1.42 2vj9A1 ILE 309 HD13 0.10 -0.03 -0.12 -0.04 0.88 0.79 2vj9A1 LYS 310 H -0.38 0.70 -0.06 -0.55 8.42 8.13 2vj9A1 LYS 310 HA -0.08 0.01 0.42 -0.75 4.32 3.91 2vj9A1 LYS 310 HB2 -0.35 0.12 0.18 -0.04 1.87 1.77 2vj9A1 LYS 310 HB3 -0.23 -0.05 -0.04 -0.04 1.79 1.43 2vj9A1 LYS 310 HG2 -1.03 -0.06 0.03 -0.04 1.46 0.37 2vj9A1 LYS 310 HG3 -1.55 0.11 0.06 -0.04 1.46 0.05 2vj9A1 LYS 310 HD2 -0.48 -0.01 -0.07 -0.04 1.69 1.09 2vj9A1 LYS 310 HD3 -0.34 -0.02 -0.02 -0.04 1.68 1.26 2vj9A1 LYS 310 HE2 -0.93 -0.01 -0.02 -0.04 2.99 1.98 2vj9A1 LYS 310 HE3 -1.19 -0.00 -0.04 -0.04 2.99 1.71 2vj9A1 ALA 311 H -0.10 0.44 -0.27 -0.55 8.40 7.92 2vj9A1 ALA 311 HA -0.04 -0.01 0.38 -0.75 4.34 3.91 2vj9A1 ALA 311 HB3 -0.04 0.02 0.12 -0.04 1.41 1.47 2vj9A1 ALA 312 H 0.01 0.44 -0.18 -0.55 8.40 8.12 2vj9A1 ALA 312 HA 0.01 -0.02 0.48 -0.75 4.34 4.06 2vj9A1 ALA 312 HB3 0.07 0.01 0.14 -0.04 1.41 1.59 2vj9A1 SER 313 H 0.05 0.39 -0.29 -0.55 8.46 8.07 2vj9A1 SER 313 HA -0.11 0.22 0.77 -0.75 4.49 4.62 2vj9A1 SER 313 HB2 -0.25 -0.16 0.12 -0.04 3.95 3.62 2vj9A1 SER 313 HB3 -0.19 0.01 0.02 -0.04 3.93 3.73 2vj9A1 SER 314 H -0.02 0.34 -0.42 -0.55 8.46 7.81 2vj9A1 SER 314 HA -0.02 0.13 0.15 -0.75 4.49 3.99 2vj9A1 SER 314 HB2 -0.03 -0.12 0.10 -0.04 3.95 3.85 2vj9A1 SER 314 HB3 -0.03 0.09 0.16 -0.04 3.93 4.11 2vj9A1 THR 315 H -0.06 0.12 -0.55 -0.55 8.28 7.24 2vj9A1 THR 315 HA -0.05 0.02 0.49 -0.75 4.39 4.09 2vj9A1 THR 315 HB -0.05 0.00 0.06 -0.04 4.32 4.30 2vj9A1 THR 315 HG23 -0.07 0.01 -0.12 -0.04 1.22 0.99 2vj9A1 GLU 316 H -0.13 0.64 -0.02 -0.55 8.60 8.55 2vj9A1 GLU 316 HA -0.18 0.09 0.76 -0.75 4.29 4.21 2vj9A1 GLU 316 HB2 -0.21 0.06 0.05 -0.04 2.09 1.95 2vj9A1 GLU 316 HB3 -0.43 -0.03 -0.02 -0.04 1.99 1.47 2vj9A1 GLU 316 HG2 -0.02 0.08 -0.04 -0.04 2.34 2.31 2vj9A1 GLU 316 HG3 -0.02 -0.04 -0.17 -0.04 2.34 2.06 2vj9A1 LYS 317 H -0.30 0.14 0.10 -0.55 8.42 7.80 2vj9A1 LYS 317 HA -0.19 0.20 0.90 -0.75 4.32 4.47 2vj9A1 LYS 317 HB2 -0.11 -0.05 0.09 -0.04 1.87 1.76 2vj9A1 LYS 317 HB3 -0.04 -0.01 -0.03 -0.04 1.79 1.67 2vj9A1 LYS 317 HG2 -0.09 0.06 -0.24 -0.04 1.46 1.15 2vj9A1 LYS 317 HG3 -0.05 -0.06 -0.04 -0.04 1.46 1.27 2vj9A1 LYS 317 HD2 -0.01 -0.08 -0.01 -0.04 1.69 1.55 2vj9A1 LYS 317 HD3 -0.03 0.12 -0.03 -0.04 1.68 1.69 2vj9A1 LYS 317 HE2 -0.04 0.26 -0.03 -0.04 2.99 3.14 2vj9A1 LYS 317 HE3 -0.03 -0.09 -0.03 -0.04 2.99 2.80 2vj9A1 PHE 318 H 0.16 0.22 0.13 -0.55 8.34 8.30 2vj9A1 PHE 318 HA -0.07 0.21 0.91 -0.75 4.62 4.92 2vj9A1 PHE 318 HB2 -0.04 -0.01 -0.01 -0.04 3.15 3.04 2vj9A1 PHE 318 HB3 -0.39 -0.00 0.06 -0.04 3.06 2.68 2vj9A1 PHE 318 HD2 -0.01 0.01 -0.07 -0.04 7.28 7.17 2vj9A1 PHE 318 HE2 0.07 0.03 -0.10 -0.04 7.38 7.34 2vj9A1 PHE 318 HZ 0.39 0.00 -0.11 -0.04 7.32 7.56 2vj9A1 PRO 319 HA 0.15 0.11 0.53 -0.51 4.44 4.72 2vj9A1 PRO 319 HB2 0.09 -0.15 0.06 -0.04 2.28 2.24 2vj9A1 PRO 319 HB3 0.07 0.11 0.13 -0.04 2.02 2.28 2vj9A1 PRO 319 HG2 0.07 -0.08 0.07 -0.04 2.03 2.05 2vj9A1 PRO 319 HG3 0.02 0.12 0.09 -0.04 2.03 2.22 2vj9A1 PRO 319 HD2 0.06 0.13 0.24 -0.04 3.68 4.07 2vj9A1 PRO 319 HD3 0.05 0.21 0.20 -0.04 3.65 4.08 2vj9A1 ASP 320 H 0.18 0.19 0.19 -0.55 8.40 8.41 2vj9A1 ASP 320 HA 0.47 0.13 0.37 -0.75 4.63 4.85 2vj9A1 ASP 320 HB2 0.14 -0.01 0.05 -0.04 2.71 2.86 2vj9A1 ASP 320 HB3 0.18 0.04 0.08 -0.04 2.70 2.96 2vj9A1 GLY 321 H 0.14 0.04 -0.44 -0.55 8.43 7.62 2vj9A1 GLY 321 HA2 0.11 0.10 0.32 -0.51 4.01 4.03 2vj9A1 GLY 321 HA3 0.09 0.08 0.17 -0.51 4.01 3.85 2vj9A1 PHE 322 H 0.15 0.36 -0.26 -0.55 8.34 8.04 2vj9A1 PHE 322 HA -0.12 0.21 0.56 -0.75 4.62 4.52 2vj9A1 PHE 322 HB2 -0.28 0.02 0.01 -0.04 3.15 2.86 2vj9A1 PHE 322 HB3 -0.46 0.17 0.07 -0.04 3.06 2.80 2vj9A1 PHE 322 HD2 -1.25 0.09 -0.06 -0.04 7.28 6.01 2vj9A1 PHE 322 HE2 -1.09 0.01 -0.14 -0.04 7.38 6.12 2vj9A1 PHE 322 HZ -0.44 0.02 -0.11 -0.04 7.32 6.75 2vj9A1 TRP 323 H 0.04 0.24 -0.20 -0.55 7.97 7.51 2vj9A1 TRP 323 HA -0.67 0.08 0.37 -0.75 4.62 3.64 2vj9A1 TRP 323 HB2 0.02 0.08 0.09 -0.04 3.23 3.38 2vj9A1 TRP 323 HB3 -0.09 -0.02 0.07 -0.04 3.23 3.15 2vj9A1 TRP 323 HD1 0.13 -0.04 -0.12 -0.04 7.22 7.15 2vj9A1 TRP 323 HE1 0.28 0.01 -0.04 -0.04 10.20 10.41 2vj9A1 TRP 323 HE3 -1.20 0.01 0.03 -0.04 7.59 6.39 2vj9A1 TRP 323 HZ2 0.49 0.07 -0.05 -0.04 7.44 7.91 2vj9A1 TRP 323 HZ3 -0.36 -0.01 -0.06 -0.04 7.13 6.65 2vj9A1 TRP 323 HH2 0.37 0.07 -0.18 -0.04 7.19 7.42 2vj9A1 LEU 324 H 0.17 0.17 -0.47 -0.55 8.37 7.70 2vj9A1 LEU 324 HA 0.27 0.11 0.71 -0.75 4.35 4.69 2vj9A1 LEU 324 HB2 0.12 -0.01 0.09 -0.04 1.64 1.80 2vj9A1 LEU 324 HB3 0.11 -0.03 0.13 -0.04 1.64 1.81 2vj9A1 LEU 324 HG 0.21 0.14 -0.01 -0.04 1.64 1.94 2vj9A1 LEU 324 HD13 0.11 -0.04 -0.07 -0.04 0.93 0.90 2vj9A1 LEU 324 HD23 0.19 0.00 -0.01 -0.04 0.89 1.03 2vj9A1 GLY 325 H 0.03 0.45 -0.36 -0.55 8.43 8.01 2vj9A1 GLY 325 HA2 0.03 0.01 0.43 -0.51 4.01 3.96 2vj9A1 GLY 325 HA3 0.06 0.09 0.50 -0.51 4.01 4.16 2vj9A1 GLU 326 H 0.05 0.52 -0.01 -0.55 8.60 8.62 2vj9A1 GLU 326 HA 0.04 0.18 0.71 -0.75 4.29 4.47 2vj9A1 GLU 326 HB2 0.06 -0.04 0.04 -0.04 2.09 2.11 2vj9A1 GLU 326 HB3 0.04 -0.06 0.09 -0.04 1.99 2.02 2vj9A1 GLU 326 HG2 0.04 0.03 -0.09 -0.04 2.34 2.28 2vj9A1 GLU 326 HG3 0.06 0.13 -0.27 -0.04 2.34 2.22 2vj9A1 GLN 327 H 0.06 0.25 -0.05 -0.55 8.47 8.18 2vj9A1 GLN 327 HA 0.03 0.11 0.39 -0.75 4.36 4.13 2vj9A1 GLN 327 HB2 0.01 0.03 0.06 -0.04 2.15 2.22 2vj9A1 GLN 327 HB3 0.03 0.09 -0.08 -0.04 2.02 2.02 2vj9A1 GLN 327 HG2 0.07 -0.18 -0.57 -0.04 2.40 1.68 2vj9A1 GLN 327 HG3 0.07 0.09 -0.30 -0.04 2.39 2.21 2vj9A1 GLN 327 HE21 0.01 -0.03 0.00 -0.04 6.97 6.91 2vj9A1 GLN 327 HE22 -0.01 0.22 -0.03 -0.04 7.69 7.82 2vj9A1 LEU 328 H 0.00 0.07 0.08 -0.55 8.37 7.98 2vj9A1 LEU 328 HA 0.07 0.30 0.58 -0.75 4.35 4.55 2vj9A1 LEU 328 HB2 -0.05 -0.06 -0.02 -0.04 1.64 1.47 2vj9A1 LEU 328 HB3 -0.05 0.00 -0.05 -0.04 1.64 1.50 2vj9A1 LEU 328 HG 0.00 -0.05 -0.06 -0.04 1.64 1.49 2vj9A1 LEU 328 HD13 -0.03 -0.01 -0.10 -0.04 0.93 0.75 2vj9A1 LEU 328 HD23 0.01 0.01 -0.31 -0.04 0.89 0.57 2vj9A1 VAL 329 H -0.06 0.60 0.36 -0.55 8.24 8.60 2vj9A1 VAL 329 HA -0.44 0.14 0.72 -0.75 4.13 3.79 2vj9A1 VAL 329 HB -1.26 0.01 0.06 -0.04 2.12 0.89 2vj9A1 VAL 329 HG13 -0.44 0.03 -0.00 -0.04 0.97 0.52 2vj9A1 VAL 329 HG23 -1.43 0.01 -0.10 -0.04 0.95 -0.61 2vj9A1 CYS 330 H -0.54 0.22 0.12 -0.55 8.50 7.75 2vj9A1 CYS 330 HA -0.17 0.36 1.17 -0.75 4.58 5.19 2vj9A1 CYS 330 HB2 -0.19 -0.03 -0.04 -0.04 2.97 2.67 2vj9A1 CYS 330 HB3 -0.10 0.05 -0.13 -0.04 2.97 2.75 2vj9A1 TRP 331 H 0.24 0.62 0.30 -0.55 7.97 8.58 2vj9A1 TRP 331 HA -0.01 0.16 0.75 -0.75 4.62 4.77 2vj9A1 TRP 331 HB2 -0.03 -0.06 -0.05 -0.04 3.23 3.04 2vj9A1 TRP 331 HB3 -0.03 0.03 -0.05 -0.04 3.23 3.14 2vj9A1 TRP 331 HD1 -0.02 -0.01 0.03 -0.04 7.22 7.18 2vj9A1 TRP 331 HE1 0.07 0.01 -0.03 -0.04 10.20 10.21 2vj9A1 TRP 331 HE3 0.02 0.04 -0.14 -0.04 7.59 7.47 2vj9A1 TRP 331 HZ2 0.25 0.04 -0.10 -0.04 7.44 7.58 2vj9A1 TRP 331 HZ3 -0.48 0.02 -0.19 -0.04 7.13 6.44 2vj9A1 TRP 331 HH2 -0.43 0.02 -0.15 -0.04 7.19 6.59 2vj9A1 GLN 332 H 0.19 0.14 0.10 -0.55 8.47 8.35 2vj9A1 GLN 332 HA 0.07 0.10 0.51 -0.75 4.36 4.28 2vj9A1 GLN 332 HB2 0.06 -0.00 0.12 -0.04 2.15 2.29 2vj9A1 GLN 332 HB3 0.09 -0.03 0.09 -0.04 2.02 2.13 2vj9A1 GLN 332 HG2 0.05 0.19 -0.24 -0.04 2.40 2.36 2vj9A1 GLN 332 HG3 0.04 0.02 0.09 -0.04 2.39 2.49 2vj9A1 GLN 332 HE21 0.02 -0.03 0.01 -0.04 6.97 6.93 2vj9A1 GLN 332 HE22 0.02 0.01 0.03 -0.04 7.69 7.71 2vj9A1 ALA 333 H 0.05 0.49 0.35 -0.55 8.40 8.74 2vj9A1 ALA 333 HA 0.07 -0.10 0.25 -0.75 4.34 3.81 2vj9A1 ALA 333 HB3 0.04 0.05 0.02 -0.04 1.41 1.47 2vj9A1 GLY 334 H 0.09 0.07 0.18 -0.55 8.43 8.22 2vj9A1 GLY 334 HA2 0.09 -0.01 0.36 -0.51 4.01 3.94 2vj9A1 GLY 334 HA3 0.05 0.15 0.47 -0.51 4.01 4.17 2vj9A1 THR 335 H 0.05 0.49 -0.15 -0.55 8.28 8.12 2vj9A1 THR 335 HA -0.04 0.23 0.78 -0.75 4.39 4.61 2vj9A1 THR 335 HB -0.02 -0.04 0.11 -0.04 4.32 4.33 2vj9A1 THR 335 HG23 0.03 0.04 -0.20 -0.04 1.22 1.06 2vj9A1 THR 336 H -0.16 -0.00 -0.19 -0.55 8.28 7.39 2vj9A1 THR 336 HA -1.19 0.09 0.31 -0.75 4.39 2.85 2vj9A1 THR 336 HB -0.99 -0.03 0.03 -0.04 4.32 3.29 2vj9A1 THR 336 HG23 -2.30 0.00 -0.23 -0.04 1.22 -1.35 2vj9A1 PRO 337 HA -0.31 0.09 0.47 -0.51 4.44 4.18 2vj9A1 PRO 337 HB2 -0.23 -0.05 0.19 -0.04 2.28 2.15 2vj9A1 PRO 337 HB3 -0.30 0.09 0.12 -0.04 2.02 1.88 2vj9A1 PRO 337 HG2 -0.54 0.02 0.03 -0.04 2.03 1.49 2vj9A1 PRO 337 HG3 -0.48 0.06 0.06 -0.04 2.03 1.63 2vj9A1 PRO 337 HD2 -3.01 0.05 0.07 -0.04 3.68 0.76 2vj9A1 PRO 337 HD3 -1.86 0.21 0.18 -0.04 3.65 2.15 2vj9A1 TRP 338 H -0.36 0.52 -0.01 -0.55 7.97 7.57 2vj9A1 TRP 338 HA -0.03 0.06 0.20 -0.75 4.62 4.09 2vj9A1 TRP 338 HB2 -0.03 -0.02 0.05 -0.04 3.23 3.19 2vj9A1 TRP 338 HB3 -0.04 -0.03 -0.01 -0.04 3.23 3.12 2vj9A1 TRP 338 HD1 -0.06 0.01 0.03 -0.04 7.22 7.16 2vj9A1 TRP 338 HE1 -0.05 -0.01 -0.03 -0.04 10.20 10.07 2vj9A1 TRP 338 HE3 -0.25 -0.03 -0.17 -0.04 7.59 7.10 2vj9A1 TRP 338 HZ2 0.04 -0.01 -0.06 -0.04 7.44 7.38 2vj9A1 TRP 338 HZ3 -0.43 0.17 -0.35 -0.04 7.13 6.48 2vj9A1 TRP 338 HH2 -0.22 0.13 -0.08 -0.04 7.19 6.98 2vj9A1 ASN 339 H 0.09 0.05 -0.38 -0.55 8.53 7.74 2vj9A1 ASN 339 HA 0.11 0.08 0.21 -0.75 4.76 4.40 2vj9A1 ASN 339 HB2 -0.02 -0.00 -0.01 -0.04 2.88 2.81 2vj9A1 ASN 339 HB3 -0.05 0.05 0.02 -0.04 2.79 2.76 2vj9A1 ASN 339 HD21 -0.04 -0.03 -0.01 -0.04 7.03 6.91 2vj9A1 ASN 339 HD22 -0.09 0.04 -0.01 -0.04 7.74 7.64 2vj9A1 ILE 340 H -0.01 0.37 -0.31 -0.55 8.25 7.75 2vj9A1 ILE 340 HA -0.05 0.12 0.59 -0.75 4.18 4.08 2vj9A1 ILE 340 HB -0.17 -0.02 0.14 -0.04 1.89 1.80 2vj9A1 ILE 340 HG12 -0.25 0.30 0.06 -0.04 1.49 1.57 2vj9A1 ILE 340 HG13 -0.95 0.03 -0.38 -0.04 1.21 -0.13 2vj9A1 ILE 340 HG23 -0.10 -0.03 -0.01 -0.04 0.93 0.75 2vj9A1 ILE 340 HD13 -0.15 -0.01 -0.00 -0.04 0.88 0.68 2vj9A1 PHE 341 H 0.25 0.32 -0.24 -0.55 8.34 8.11 2vj9A1 PHE 341 HA 0.24 0.18 0.80 -0.75 4.62 5.09 2vj9A1 PHE 341 HB2 0.16 0.02 0.10 -0.04 3.15 3.40 2vj9A1 PHE 341 HB3 0.35 0.01 0.00 -0.04 3.06 3.38 2vj9A1 PHE 341 HD2 0.21 0.04 -0.07 -0.04 7.28 7.41 2vj9A1 PHE 341 HE2 0.01 -0.04 -0.12 -0.04 7.38 7.19 2vj9A1 PHE 341 HZ -0.03 -0.04 -0.11 -0.04 7.32 7.09 2vj9A1 PRO 342 HA 0.18 0.08 0.43 -0.51 4.44 4.61 2vj9A1 PRO 342 HB2 0.15 -0.04 -0.01 -0.04 2.28 2.34 2vj9A1 PRO 342 HB3 0.13 0.07 0.05 -0.04 2.02 2.23 2vj9A1 PRO 342 HG2 0.26 -0.03 -0.03 -0.04 2.03 2.20 2vj9A1 PRO 342 HG3 0.17 0.07 0.04 -0.04 2.03 2.27 2vj9A1 PRO 342 HD2 0.61 0.04 0.19 -0.04 3.68 4.47 2vj9A1 PRO 342 HD3 0.26 0.29 0.21 -0.04 3.65 4.37 2vj9A1 VAL 343 H 0.14 0.07 0.18 -0.55 8.24 8.08 2vj9A1 VAL 343 HA 0.22 0.31 0.89 -0.75 4.13 4.79 2vj9A1 VAL 343 HB 0.09 -0.10 0.05 -0.04 2.12 2.12 2vj9A1 VAL 343 HG13 0.08 0.02 -0.25 -0.04 0.97 0.77 2vj9A1 VAL 343 HG23 0.10 0.01 -0.04 -0.04 0.95 0.98 2vj9A1 ILE 344 H 0.17 0.63 0.33 -0.55 8.25 8.83 2vj9A1 ILE 344 HA 0.04 0.22 1.08 -0.75 4.18 4.77 2vj9A1 ILE 344 HB 0.08 -0.03 0.15 -0.04 1.89 2.05 2vj9A1 ILE 344 HG12 -0.01 0.01 -0.07 -0.04 1.49 1.37 2vj9A1 ILE 344 HG13 0.11 0.05 -0.27 -0.04 1.21 1.06 2vj9A1 ILE 344 HG23 -0.03 0.00 -0.13 -0.04 0.93 0.73 2vj9A1 ILE 344 HD13 -0.27 -0.01 -0.08 -0.04 0.88 0.49 2vj9A1 SER 345 H -0.00 0.61 0.28 -0.55 8.46 8.80 2vj9A1 SER 345 HA -0.10 0.35 1.13 -0.75 4.49 5.12 2vj9A1 SER 345 HB2 0.01 -0.12 0.06 -0.04 3.95 3.86 2vj9A1 SER 345 HB3 -0.33 0.03 -0.15 -0.04 3.93 3.44 2vj9A1 LEU 346 H -0.19 0.70 0.32 -0.55 8.37 8.66 2vj9A1 LEU 346 HA -0.13 0.16 1.04 -0.75 4.35 4.66 2vj9A1 LEU 346 HB2 -0.25 -0.01 0.19 -0.04 1.64 1.53 2vj9A1 LEU 346 HB3 -0.19 0.01 0.02 -0.04 1.64 1.43 2vj9A1 LEU 346 HG -0.09 0.02 -0.12 -0.04 1.64 1.40 2vj9A1 LEU 346 HD13 -0.09 0.00 -0.05 -0.04 0.93 0.76 2vj9A1 LEU 346 HD23 -0.12 0.01 -0.08 -0.04 0.89 0.66 2vj9A1 TYR 347 H 0.06 0.71 0.31 -0.55 8.29 8.81 2vj9A1 TYR 347 HA -0.36 0.26 0.98 -0.75 4.56 4.69 2vj9A1 TYR 347 HB2 -0.20 -0.12 0.16 -0.04 3.06 2.86 2vj9A1 TYR 347 HB3 -0.21 0.04 -0.09 -0.04 2.98 2.68 2vj9A1 TYR 347 HD2 -0.25 0.07 -0.29 -0.04 7.15 6.64 2vj9A1 TYR 347 HE2 -0.85 -0.01 -0.20 -0.04 6.85 5.74 2vj9A1 LEU 348 H -0.69 0.66 0.40 -0.55 8.37 8.20 2vj9A1 LEU 348 HA -0.23 0.17 1.03 -0.75 4.35 4.57 2vj9A1 LEU 348 HB2 -1.37 -0.02 0.03 -0.04 1.64 0.24 2vj9A1 LEU 348 HB3 -0.33 0.06 0.04 -0.04 1.64 1.38 2vj9A1 LEU 348 HG -0.62 0.02 -0.17 -0.04 1.64 0.82 2vj9A1 LEU 348 HD13 -0.67 0.00 -0.11 -0.04 0.93 0.12 2vj9A1 LEU 348 HD23 -0.22 -0.00 -0.21 -0.04 0.89 0.41 2vj9A1 MET 349 H -0.06 0.55 0.34 -0.55 8.47 8.76 2vj9A1 MET 349 HA 0.02 0.01 0.53 -0.75 4.52 4.33 2vj9A1 MET 349 HB2 0.04 -0.07 0.15 -0.04 2.15 2.23 2vj9A1 MET 349 HB3 0.06 -0.04 0.22 -0.04 2.03 2.23 2vj9A1 MET 349 HG2 0.09 0.36 -0.04 -0.04 2.63 3.00 2vj9A1 MET 349 HG3 0.06 -0.05 0.11 -0.04 2.56 2.63 2vj9A1 MET 349 HE3 0.05 -0.03 0.00 -0.04 2.10 2.09 2vj9A1 GLY 350 H 0.12 0.58 0.44 -0.55 8.43 9.03 2vj9A1 GLY 350 HA2 0.40 0.21 0.68 -0.51 4.01 4.78 2vj9A1 GLY 350 HA3 0.27 -0.08 0.25 -0.51 4.01 3.93 2vj9A1 GLU 351 H 0.23 0.11 0.18 -0.55 8.60 8.57 2vj9A1 GLU 351 HA 0.12 0.17 0.59 -0.75 4.29 4.41 2vj9A1 GLU 351 HB2 0.10 -0.06 0.08 -0.04 2.09 2.17 2vj9A1 GLU 351 HB3 0.06 0.00 0.07 -0.04 1.99 2.08 2vj9A1 GLU 351 HG2 0.14 0.05 -0.18 -0.04 2.34 2.31 2vj9A1 GLU 351 HG3 0.18 0.03 -0.03 -0.04 2.34 2.47 2vj9A1 VAL 352 H 0.14 0.03 -0.16 -0.55 8.24 7.69 2vj9A1 VAL 352 HA 0.06 0.21 0.92 -0.75 4.13 4.57 2vj9A1 VAL 352 HB 0.10 -0.04 0.02 -0.04 2.12 2.16 2vj9A1 VAL 352 HG13 0.05 0.04 -0.05 -0.04 0.97 0.97 2vj9A1 VAL 352 HG23 0.06 -0.00 -0.10 -0.04 0.95 0.87 2vj9A1 THR 353 H 0.05 0.12 0.12 -0.55 8.28 8.02 2vj9A1 THR 353 HA 0.05 0.03 0.32 -0.75 4.39 4.04 2vj9A1 THR 353 HB 0.04 -0.02 0.13 -0.04 4.32 4.43 2vj9A1 THR 353 HG23 0.03 0.01 -0.10 -0.04 1.22 1.13 2vj9A1 GLN 354 H 0.05 0.14 0.21 -0.55 8.47 8.32 2vj9A1 GLN 354 HA 0.05 0.02 0.37 -0.75 4.36 4.05 2vj9A1 GLN 354 HB2 0.04 0.16 -0.09 -0.04 2.15 2.21 2vj9A1 GLN 354 HB3 0.04 0.11 0.25 -0.04 2.02 2.38 2vj9A1 GLN 354 HG2 0.03 -0.13 -0.19 -0.04 2.40 2.07 2vj9A1 GLN 354 HG3 0.03 0.00 -0.08 -0.04 2.39 2.29 2vj9A1 GLN 354 HE21 0.02 0.43 -0.03 -0.04 6.97 7.34 2vj9A1 GLN 354 HE22 0.02 0.41 0.02 -0.04 7.69 8.10 2vj9A1 GLN 355 H 0.09 0.46 -0.43 -0.55 8.47 8.05 2vj9A1 GLN 355 HA 0.11 0.30 1.10 -0.75 4.36 5.12 2vj9A1 GLN 355 HB2 0.15 -0.05 0.07 -0.04 2.15 2.27 2vj9A1 GLN 355 HB3 0.17 -0.04 0.10 -0.04 2.02 2.22 2vj9A1 GLN 355 HG2 0.09 0.03 -0.08 -0.04 2.40 2.40 2vj9A1 GLN 355 HG3 0.09 0.11 -0.18 -0.04 2.39 2.37 2vj9A1 GLN 355 HE21 0.09 -0.02 -0.03 -0.04 6.97 6.97 2vj9A1 GLN 355 HE22 0.07 0.02 -0.06 -0.04 7.69 7.68 2vj9A1 SER 356 H 0.15 0.59 0.43 -0.55 8.46 9.09 2vj9A1 SER 356 HA 0.12 0.15 0.71 -0.75 4.49 4.73 2vj9A1 SER 356 HB2 0.01 0.11 0.01 -0.04 3.95 4.04 2vj9A1 SER 356 HB3 0.06 -0.01 -0.22 -0.04 3.93 3.72 2vj9A1 PHE 357 H -0.32 0.55 0.29 -0.55 8.34 8.30 2vj9A1 PHE 357 HA -0.19 0.12 0.70 -0.75 4.62 4.49 2vj9A1 PHE 357 HB2 -0.96 0.10 -0.02 -0.04 3.15 2.23 2vj9A1 PHE 357 HB3 -0.86 -0.05 -0.05 -0.04 3.06 2.05 2vj9A1 PHE 357 HD2 -0.12 -0.00 -0.26 -0.04 7.28 6.86 2vj9A1 PHE 357 HE2 -0.12 0.11 -0.38 -0.04 7.38 6.95 2vj9A1 PHE 357 HZ 0.07 0.03 -0.22 -0.04 7.32 7.16 2vj9A1 ARG 358 H -0.17 0.64 0.35 -0.55 8.46 8.73 2vj9A1 ARG 358 HA -0.62 0.30 1.19 -0.75 4.34 4.46 2vj9A1 ARG 358 HB2 -0.87 0.02 -0.17 -0.04 1.90 0.83 2vj9A1 ARG 358 HB3 -1.78 -0.06 -0.19 -0.04 1.80 -0.27 2vj9A1 ARG 358 HG2 -0.15 0.08 0.04 -0.04 1.67 1.60 2vj9A1 ARG 358 HG3 -0.27 -0.02 -0.25 -0.04 1.67 1.08 2vj9A1 ARG 358 HD2 -0.53 -0.03 -0.19 -0.04 3.22 2.43 2vj9A1 ARG 358 HD3 -1.05 -0.01 -0.16 -0.04 3.22 1.96 2vj9A1 ILE 359 H -0.42 0.59 0.36 -0.55 8.25 8.23 2vj9A1 ILE 359 HA -0.17 0.37 1.05 -0.75 4.18 4.68 2vj9A1 ILE 359 HB -0.78 0.10 0.09 -0.04 1.89 1.26 2vj9A1 ILE 359 HG12 -0.48 0.08 0.20 -0.04 1.49 1.24 2vj9A1 ILE 359 HG13 -0.26 -0.08 0.04 -0.04 1.21 0.87 2vj9A1 ILE 359 HG23 -0.66 -0.01 -0.05 -0.04 0.93 0.16 2vj9A1 ILE 359 HD13 -0.60 0.01 -0.06 -0.04 0.88 0.19 2vj9A1 THR 360 H 0.13 0.52 0.35 -0.55 8.28 8.73 2vj9A1 THR 360 HA 0.00 0.31 1.20 -0.75 4.39 5.15 2vj9A1 THR 360 HB 0.04 -0.01 -0.06 -0.04 4.32 4.25 2vj9A1 THR 360 HG23 -0.07 -0.01 -0.23 -0.04 1.22 0.88 2vj9A1 ILE 361 H 0.10 0.67 0.39 -0.55 8.25 8.87 2vj9A1 ILE 361 HA 0.14 0.17 0.78 -0.75 4.18 4.52 2vj9A1 ILE 361 HB 0.18 -0.10 0.21 -0.04 1.89 2.13 2vj9A1 ILE 361 HG12 0.09 0.06 -0.06 -0.04 1.49 1.54 2vj9A1 ILE 361 HG13 0.10 -0.05 -0.04 -0.04 1.21 1.18 2vj9A1 ILE 361 HG23 0.21 0.05 -0.05 -0.04 0.93 1.09 2vj9A1 ILE 361 HD13 0.31 0.05 -0.17 -0.04 0.88 1.02 2vj9A1 LEU 362 H 0.03 0.20 0.22 -0.55 8.37 8.28 2vj9A1 LEU 362 HA 0.08 0.21 0.71 -0.75 4.35 4.59 2vj9A1 LEU 362 HB2 -0.09 0.04 0.12 -0.04 1.64 1.67 2vj9A1 LEU 362 HB3 -0.09 -0.02 0.09 -0.04 1.64 1.58 2vj9A1 LEU 362 HG 0.03 0.02 -0.14 -0.04 1.64 1.50 2vj9A1 LEU 362 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 2vj9A1 LEU 362 HD23 0.06 0.00 -0.21 -0.04 0.89 0.70 2vj9A1 PRO 363 HA -1.61 0.04 0.44 -0.51 4.44 2.80 2vj9A1 PRO 363 HB2 0.07 0.00 -0.05 -0.04 2.28 2.26 2vj9A1 PRO 363 HB3 -0.10 0.09 0.02 -0.04 2.02 1.99 2vj9A1 PRO 363 HG2 0.15 -0.09 0.03 -0.04 2.03 2.08 2vj9A1 PRO 363 HG3 0.26 0.39 0.05 -0.04 2.03 2.68 2vj9A1 PRO 363 HD2 0.01 -0.01 0.15 -0.04 3.68 3.79 2vj9A1 PRO 363 HD3 0.12 0.31 -0.03 -0.04 3.65 4.02 2vj9A1 GLN 364 H -0.35 0.07 -0.36 -0.55 8.47 7.29 2vj9A1 GLN 364 HA -0.51 0.12 0.40 -0.75 4.36 3.62 2vj9A1 GLN 364 HB2 -0.41 -0.00 -0.04 -0.04 2.15 1.66 2vj9A1 GLN 364 HB3 -0.43 0.05 -0.02 -0.04 2.02 1.59 2vj9A1 GLN 364 HG2 -0.99 0.02 -0.09 -0.04 2.40 1.30 2vj9A1 GLN 364 HG3 -2.66 0.02 -0.04 -0.04 2.39 -0.33 2vj9A1 GLN 364 HE21 -0.55 -0.05 -0.06 -0.04 6.97 6.26 2vj9A1 GLN 364 HE22 -1.48 0.05 -0.10 -0.04 7.69 6.11 2vj9A1 GLN 365 H -0.16 0.35 -0.43 -0.55 8.47 7.68 2vj9A1 GLN 365 HA -0.00 0.15 0.82 -0.75 4.36 4.57 2vj9A1 GLN 365 HB2 0.06 0.02 0.14 -0.04 2.15 2.33 2vj9A1 GLN 365 HB3 0.07 0.19 0.02 -0.04 2.02 2.26 2vj9A1 GLN 365 HG2 -0.03 0.09 0.07 -0.04 2.40 2.49 2vj9A1 GLN 365 HG3 -0.07 -0.17 0.01 -0.04 2.39 2.11 2vj9A1 GLN 365 HE21 0.06 -0.04 0.12 -0.04 6.97 7.07 2vj9A1 GLN 365 HE22 0.03 0.32 0.20 -0.04 7.69 8.21 2vj9A1 TYR 366 H -0.16 0.19 -0.02 -0.55 8.29 7.75 2vj9A1 TYR 366 HA 0.01 0.17 0.55 -0.75 4.56 4.53 2vj9A1 TYR 366 HB2 -0.07 -0.09 0.01 -0.04 3.06 2.86 2vj9A1 TYR 366 HB3 0.02 -0.00 -0.07 -0.04 2.98 2.89 2vj9A1 TYR 366 HD2 0.16 -0.04 -0.28 -0.04 7.15 6.95 2vj9A1 TYR 366 HE2 0.25 0.07 -0.11 -0.04 6.85 7.03 2vj9A1 LEU 367 H -0.09 0.58 -0.18 -0.55 8.37 8.13 2vj9A1 LEU 367 HA 0.20 0.15 0.82 -0.75 4.35 4.77 2vj9A1 LEU 367 HB2 0.00 0.06 0.06 -0.04 1.64 1.73 2vj9A1 LEU 367 HB3 -0.10 -0.06 -0.12 -0.04 1.64 1.32 2vj9A1 LEU 367 HG -0.33 -0.02 -0.08 -0.04 1.64 1.16 2vj9A1 LEU 367 HD13 -0.96 -0.02 -0.14 -0.04 0.93 -0.23 2vj9A1 LEU 367 HD23 0.25 0.02 -0.10 -0.04 0.89 1.02 2vj9A1 ARG 368 H 0.20 0.65 0.11 -0.55 8.46 8.86 2vj9A1 ARG 368 HA 0.18 0.23 0.48 -0.75 4.34 4.48 2vj9A1 ARG 368 HB2 0.10 0.02 -0.02 -0.04 1.90 1.96 2vj9A1 ARG 368 HB3 0.11 -0.07 0.07 -0.04 1.80 1.87 2vj9A1 ARG 368 HG2 0.08 0.16 -0.19 -0.04 1.67 1.67 2vj9A1 ARG 368 HG3 0.09 0.01 0.04 -0.04 1.67 1.77 2vj9A1 ARG 368 HD2 0.05 -0.17 -0.04 -0.04 3.22 3.02 2vj9A1 ARG 368 HD3 0.06 0.01 -0.08 -0.04 3.22 3.17 2vj9A1 PRO 369 HA -0.21 0.22 0.58 -0.51 4.44 4.53 2vj9A1 PRO 369 HB2 0.02 -0.06 0.03 -0.04 2.28 2.23 2vj9A1 PRO 369 HB3 -0.07 0.00 0.08 -0.04 2.02 1.99 2vj9A1 PRO 369 HG2 0.14 0.01 0.12 -0.04 2.03 2.25 2vj9A1 PRO 369 HG3 0.37 0.06 0.09 -0.04 2.03 2.52 2vj9A1 PRO 369 HD2 0.12 0.00 0.26 -0.04 3.68 4.02 2vj9A1 PRO 369 HD3 0.24 0.41 0.37 -0.04 3.65 4.63 2vj9A1 VAL 370 H -0.15 0.57 0.23 -0.55 8.24 8.35 2vj9A1 VAL 370 HA -0.02 0.14 0.89 -0.75 4.13 4.40 2vj9A1 VAL 370 HB -0.05 -0.05 -0.02 -0.04 2.12 1.96 2vj9A1 VAL 370 HG13 -0.02 -0.00 -0.20 -0.04 0.97 0.70 2vj9A1 VAL 370 HG23 0.02 0.02 -0.18 -0.04 0.95 0.77 2vj9A1 GLU 371 H -0.03 0.18 0.03 -0.55 8.60 8.23 2vj9A1 GLU 371 HA -0.04 0.07 0.52 -0.75 4.29 4.09 2vj9A1 GLU 371 HB2 -0.02 0.05 0.04 -0.04 2.09 2.11 2vj9A1 GLU 371 HB3 -0.02 0.02 0.12 -0.04 1.99 2.06 2vj9A1 GLU 371 HG2 -0.02 0.01 -0.10 -0.04 2.34 2.19 2vj9A1 GLU 371 HG3 -0.02 -0.06 -0.27 -0.04 2.34 1.95 2vj9A1 ASP 372 H -0.03 0.23 0.04 -0.55 8.40 8.09 2vj9A1 ASP 372 HA -0.03 0.08 0.54 -0.75 4.63 4.47 2vj9A1 ASP 372 HB2 -0.03 0.23 -0.28 -0.04 2.71 2.58 2vj9A1 ASP 372 HB3 -0.03 -0.01 -0.01 -0.04 2.70 2.61 2vj9A1 VAL 373 H -0.02 0.23 0.12 -0.55 8.24 8.02 2vj9A1 VAL 373 HA -0.02 0.10 0.31 -0.75 4.13 3.77 2vj9A1 VAL 373 HB -0.01 0.04 0.13 -0.04 2.12 2.23 2vj9A1 VAL 373 HG13 -0.01 0.01 -0.02 -0.04 0.97 0.91 2vj9A1 VAL 373 HG23 -0.01 0.02 0.01 -0.04 0.95 0.93 2vj9A1 ALA 374 H -0.02 0.04 -0.38 -0.55 8.40 7.49 2vj9A1 ALA 374 HA -0.01 0.10 0.36 -0.75 4.34 4.04 2vj9A1 ALA 374 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 2vj9A1 THR 375 H -0.02 0.40 -0.25 -0.55 8.28 7.86 2vj9A1 THR 375 HA -0.03 0.17 0.78 -0.75 4.39 4.55 2vj9A1 THR 375 HB -0.04 -0.04 0.10 -0.04 4.32 4.29 2vj9A1 THR 375 HG23 -0.03 -0.02 -0.10 -0.04 1.22 1.03 2vj9A1 SER 376 H -0.02 0.40 -0.37 -0.55 8.46 7.92 2vj9A1 SER 376 HA -0.02 0.20 0.06 -0.75 4.49 3.97 2vj9A1 SER 376 HB2 -0.01 -0.02 0.14 -0.04 3.95 4.02 2vj9A1 SER 376 HB3 -0.02 -0.09 0.07 -0.04 3.93 3.85 2vj9A1 GLN 377 H -0.01 0.10 -0.37 -0.55 8.47 7.64 2vj9A1 GLN 377 HA 0.01 0.10 0.74 -0.75 4.36 4.46 2vj9A1 GLN 377 HB2 0.00 -0.02 0.13 -0.04 2.15 2.22 2vj9A1 GLN 377 HB3 -0.00 -0.01 0.07 -0.04 2.02 2.04 2vj9A1 GLN 377 HG2 -0.01 0.02 -0.07 -0.04 2.40 2.30 2vj9A1 GLN 377 HG3 0.00 0.02 -0.39 -0.04 2.39 1.98 2vj9A1 GLN 377 HE21 -0.00 -0.01 -0.04 -0.04 6.97 6.88 2vj9A1 GLN 377 HE22 -0.01 0.00 -0.09 -0.04 7.69 7.55 2vj9A1 ASP 378 H -0.01 0.53 0.08 -0.55 8.40 8.45 2vj9A1 ASP 378 HA 0.04 0.02 0.93 -0.75 4.63 4.86 2vj9A1 ASP 378 HB2 -0.03 0.11 0.01 -0.04 2.71 2.76 2vj9A1 ASP 378 HB3 -0.01 0.03 -0.11 -0.04 2.70 2.56 2vj9A1 ASP 379 H 0.10 0.52 0.13 -0.55 8.40 8.61 2vj9A1 ASP 379 HA -0.08 0.17 0.79 -0.75 4.63 4.76 2vj9A1 ASP 379 HB2 0.22 -0.07 0.12 -0.04 2.71 2.94 2vj9A1 ASP 379 HB3 0.01 0.07 -0.00 -0.04 2.70 2.74 2vj9A1 CYS 380 H -0.26 0.23 0.11 -0.55 8.50 8.03 2vj9A1 CYS 380 HA -0.09 0.33 1.13 -0.75 4.58 5.20 2vj9A1 CYS 380 HB2 -0.12 0.06 0.02 -0.04 2.97 2.89 2vj9A1 CYS 380 HB3 -0.09 -0.02 -0.08 -0.04 2.97 2.74 2vj9A1 TYR 381 H 0.07 0.54 0.34 -0.55 8.29 8.69 2vj9A1 TYR 381 HA 0.07 0.27 0.93 -0.75 4.56 5.08 2vj9A1 TYR 381 HB2 0.09 -0.06 -0.12 -0.04 3.06 2.94 2vj9A1 TYR 381 HB3 0.13 0.05 -0.32 -0.04 2.98 2.80 2vj9A1 TYR 381 HD2 0.19 0.14 -0.43 -0.04 7.15 7.00 2vj9A1 TYR 381 HE2 0.30 0.01 -0.16 -0.04 6.85 6.96 2vj9A1 LYS 382 H 0.17 0.63 0.21 -0.55 8.42 8.87 2vj9A1 LYS 382 HA 0.16 0.15 0.86 -0.75 4.32 4.74 2vj9A1 LYS 382 HB2 0.08 0.00 0.03 -0.04 1.87 1.94 2vj9A1 LYS 382 HB3 0.07 0.13 -0.08 -0.04 1.79 1.87 2vj9A1 LYS 382 HG2 0.06 0.02 -0.16 -0.04 1.46 1.35 2vj9A1 LYS 382 HG3 0.05 -0.08 -0.20 -0.04 1.46 1.18 2vj9A1 LYS 382 HD2 0.04 -0.03 -0.08 -0.04 1.69 1.58 2vj9A1 LYS 382 HD3 0.04 0.11 -0.06 -0.04 1.68 1.73 2vj9A1 LYS 382 HE2 0.03 0.03 -0.16 -0.04 2.99 2.85 2vj9A1 LYS 382 HE3 0.02 -0.07 -0.13 -0.04 2.99 2.77 2vj9A1 PHE 383 H 0.02 0.21 0.15 -0.55 8.34 8.16 2vj9A1 PHE 383 HA -0.03 0.12 0.74 -0.75 4.62 4.70 2vj9A1 PHE 383 HB2 -1.52 -0.04 0.11 -0.04 3.15 1.67 2vj9A1 PHE 383 HB3 -0.45 0.09 0.27 -0.04 3.06 2.92 2vj9A1 PHE 383 HD2 0.05 0.10 0.07 -0.04 7.28 7.45 2vj9A1 PHE 383 HE2 0.24 0.00 -0.01 -0.04 7.38 7.57 2vj9A1 PHE 383 HZ 0.14 -0.05 -0.05 -0.04 7.32 7.32 2vj9A1 ALA 384 H -0.09 0.80 0.34 -0.55 8.40 8.90 2vj9A1 ALA 384 HA -0.07 0.14 0.55 -0.75 4.34 4.20 2vj9A1 ALA 384 HB3 0.03 -0.02 0.05 -0.04 1.41 1.43 2vj9A1 ILE 385 H -1.07 0.15 -0.23 -0.55 8.25 6.55 2vj9A1 ILE 385 HA -0.15 0.35 0.94 -0.75 4.18 4.56 2vj9A1 ILE 385 HB -0.85 -0.01 0.07 -0.04 1.89 1.06 2vj9A1 ILE 385 HG12 -0.17 0.02 0.02 -0.04 1.49 1.31 2vj9A1 ILE 385 HG13 -0.45 -0.05 -0.13 -0.04 1.21 0.53 2vj9A1 ILE 385 HG23 0.10 -0.00 -0.08 -0.04 0.93 0.91 2vj9A1 ILE 385 HD13 -0.35 -0.01 -0.06 -0.04 0.88 0.42 2vj9A1 SER 386 H -0.03 0.53 0.30 -0.55 8.46 8.72 2vj9A1 SER 386 HA -0.19 0.20 0.77 -0.75 4.49 4.52 2vj9A1 SER 386 HB2 -0.15 -0.04 0.08 -0.04 3.95 3.81 2vj9A1 SER 386 HB3 -0.05 0.16 -0.23 -0.04 3.93 3.77 2vj9A1 GLN 387 H -0.58 0.17 0.17 -0.55 8.47 7.67 2vj9A1 GLN 387 HA -0.42 0.20 0.49 -0.75 4.36 3.88 2vj9A1 GLN 387 HB2 -0.92 0.02 0.09 -0.04 2.15 1.30 2vj9A1 GLN 387 HB3 -0.32 0.01 0.09 -0.04 2.02 1.76 2vj9A1 GLN 387 HG2 -0.11 -0.02 -0.15 -0.04 2.40 2.09 2vj9A1 GLN 387 HG3 -0.09 -0.00 0.08 -0.04 2.39 2.33 2vj9A1 GLN 387 HE21 0.03 0.01 0.01 -0.04 6.97 6.98 2vj9A1 GLN 387 HE22 0.00 -0.02 -0.01 -0.04 7.69 7.62 2vj9A1 SER 388 H -0.08 0.52 0.28 -0.55 8.46 8.63 2vj9A1 SER 388 HA -0.09 0.17 0.84 -0.75 4.49 4.66 2vj9A1 SER 388 HB2 -0.08 0.03 -0.26 -0.04 3.95 3.61 2vj9A1 SER 388 HB3 -0.06 -0.00 -0.40 -0.04 3.93 3.42 2vj9A1 SER 389 H -0.07 0.25 0.11 -0.55 8.46 8.20 2vj9A1 SER 389 HA -0.07 0.14 0.93 -0.75 4.49 4.74 2vj9A1 SER 389 HB2 -0.02 0.02 0.20 -0.04 3.95 4.11 2vj9A1 SER 389 HB3 -0.02 -0.00 0.04 -0.04 3.93 3.90 2vj9A1 THR 390 H -0.12 0.10 -0.13 -0.55 8.28 7.58 2vj9A1 THR 390 HA -0.19 0.20 0.83 -0.75 4.39 4.49 2vj9A1 THR 390 HB -0.09 0.02 -0.11 -0.04 4.32 4.10 2vj9A1 THR 390 HG23 -0.12 -0.01 -0.07 -0.04 1.22 0.99 2vj9A1 GLY 391 H -0.22 0.05 -0.11 -0.55 8.43 7.61 2vj9A1 GLY 391 HA2 -0.18 0.35 0.18 -0.51 4.01 3.86 2vj9A1 GLY 391 HA3 -0.16 0.16 0.41 -0.51 4.01 3.91 2vj9A1 THR 392 H -0.04 0.43 0.30 -0.55 8.28 8.43 2vj9A1 THR 392 HA -0.02 0.23 0.66 -0.75 4.39 4.52 2vj9A1 THR 392 HB 0.01 -0.09 0.33 -0.04 4.32 4.53 2vj9A1 THR 392 HG23 -0.00 -0.01 -0.11 -0.04 1.22 1.06 2vj9A1 VAL 393 H -0.03 0.52 0.31 -0.55 8.24 8.49 2vj9A1 VAL 393 HA -0.04 0.15 0.93 -0.75 4.13 4.42 2vj9A1 VAL 393 HB -0.03 -0.08 0.16 -0.04 2.12 2.13 2vj9A1 VAL 393 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.71 2vj9A1 VAL 393 HG23 -0.10 0.04 -0.22 -0.04 0.95 0.63 2vj9A1 MET 394 H 0.03 0.75 0.23 -0.55 8.47 8.93 2vj9A1 MET 394 HA 0.04 0.06 0.86 -0.75 4.52 4.72 2vj9A1 MET 394 HB2 0.08 0.00 0.30 -0.04 2.15 2.49 2vj9A1 MET 394 HB3 0.08 0.02 0.08 -0.04 2.03 2.16 2vj9A1 MET 394 HG2 -0.00 0.00 -0.04 -0.04 2.63 2.55 2vj9A1 MET 394 HG3 0.01 -0.02 -0.09 -0.04 2.56 2.42 2vj9A1 MET 394 HE3 -0.07 0.00 -0.08 -0.04 2.10 1.90 2vj9A1 GLY 395 H 0.04 0.28 0.12 -0.55 8.43 8.32 2vj9A1 GLY 395 HA2 0.06 0.25 0.43 -0.51 4.01 4.23 2vj9A1 GLY 395 HA3 0.05 0.20 0.06 -0.51 4.01 3.80 2vj9A1 ALA 396 H 0.08 0.85 0.36 -0.55 8.40 9.14 2vj9A1 ALA 396 HA 0.08 -0.05 0.32 -0.75 4.34 3.94 2vj9A1 ALA 396 HB3 0.17 0.03 0.17 -0.04 1.41 1.74 2vj9A1 VAL 397 H 0.08 0.58 -0.05 -0.55 8.24 8.31 2vj9A1 VAL 397 HA 0.09 0.02 0.35 -0.75 4.13 3.85 2vj9A1 VAL 397 HB 0.09 0.27 0.05 -0.04 2.12 2.48 2vj9A1 VAL 397 HG13 0.08 0.02 0.04 -0.04 0.97 1.06 2vj9A1 VAL 397 HG23 0.07 0.03 -0.08 -0.04 0.95 0.92 2vj9A1 ILE 398 H 0.10 0.21 -0.44 -0.55 8.25 7.57 2vj9A1 ILE 398 HA 0.17 0.08 0.62 -0.75 4.18 4.30 2vj9A1 ILE 398 HB 0.12 0.14 -0.07 -0.04 1.89 2.05 2vj9A1 ILE 398 HG12 0.08 -0.05 -0.05 -0.04 1.49 1.43 2vj9A1 ILE 398 HG13 0.06 -0.06 0.04 -0.04 1.21 1.21 2vj9A1 ILE 398 HG23 0.15 -0.02 -0.15 -0.04 0.93 0.88 2vj9A1 ILE 398 HD13 0.10 0.01 -0.08 -0.04 0.88 0.86 2vj9A1 MET 399 H 0.14 0.35 -0.09 -0.55 8.47 8.32 2vj9A1 MET 399 HA 0.31 -0.00 0.29 -0.75 4.52 4.37 2vj9A1 MET 399 HB2 0.06 0.04 0.07 -0.04 2.15 2.28 2vj9A1 MET 399 HB3 0.07 -0.07 0.01 -0.04 2.03 2.00 2vj9A1 MET 399 HG2 0.14 -0.04 -0.08 -0.04 2.63 2.60 2vj9A1 MET 399 HG3 0.13 0.20 -0.15 -0.04 2.56 2.70 2vj9A1 MET 399 HE3 0.13 -0.01 -0.05 -0.04 2.10 2.13 2vj9A1 GLU 400 H 0.08 0.46 -0.20 -0.55 8.60 8.40 2vj9A1 GLU 400 HA -0.01 0.25 0.57 -0.75 4.29 4.35 2vj9A1 GLU 400 HB2 0.03 0.10 0.11 -0.04 2.09 2.29 2vj9A1 GLU 400 HB3 0.02 -0.07 0.07 -0.04 1.99 1.97 2vj9A1 GLU 400 HG2 0.07 -0.06 -0.15 -0.04 2.34 2.16 2vj9A1 GLU 400 HG3 0.08 0.27 0.03 -0.04 2.34 2.68 2vj9A1 GLY 401 H -0.03 0.28 0.25 -0.55 8.43 8.39 2vj9A1 GLY 401 HA2 -0.04 -0.11 0.32 -0.51 4.01 3.67 2vj9A1 GLY 401 HA3 -0.23 0.09 0.65 -0.51 4.01 4.01 2vj9A1 PHE 402 H 0.02 0.63 -0.34 -0.55 8.34 8.09 2vj9A1 PHE 402 HA 0.07 0.09 1.00 -0.75 4.62 5.03 2vj9A1 PHE 402 HB2 0.11 0.07 0.03 -0.04 3.15 3.32 2vj9A1 PHE 402 HB3 0.15 -0.04 0.04 -0.04 3.06 3.17 2vj9A1 PHE 402 HD2 0.10 0.12 -0.09 -0.04 7.28 7.37 2vj9A1 PHE 402 HE2 0.02 -0.04 -0.13 -0.04 7.38 7.19 2vj9A1 PHE 402 HZ -0.01 0.04 -0.02 -0.04 7.32 7.29 2vj9A1 TYR 403 H 0.28 0.68 0.18 -0.55 8.29 8.88 2vj9A1 TYR 403 HA -0.01 0.17 0.93 -0.75 4.56 4.90 2vj9A1 TYR 403 HB2 0.06 0.08 -0.09 -0.04 3.06 3.07 2vj9A1 TYR 403 HB3 -0.07 -0.04 -0.02 -0.04 2.98 2.81 2vj9A1 TYR 403 HD2 -0.23 0.02 -0.19 -0.04 7.15 6.72 2vj9A1 TYR 403 HE2 -0.05 -0.04 -0.22 -0.04 6.85 6.49 2vj9A1 VAL 404 H -0.32 0.61 0.27 -0.55 8.24 8.24 2vj9A1 VAL 404 HA -0.71 0.42 1.10 -0.75 4.13 4.19 2vj9A1 VAL 404 HB -0.23 -0.07 0.18 -0.04 2.12 1.96 2vj9A1 VAL 404 HG13 -1.17 -0.01 -0.14 -0.04 0.97 -0.40 2vj9A1 VAL 404 HG23 -0.20 0.04 -0.17 -0.04 0.95 0.58 2vj9A1 VAL 405 H -0.72 0.77 0.35 -0.55 8.24 8.09 2vj9A1 VAL 405 HA -0.46 0.14 0.95 -0.75 4.13 4.01 2vj9A1 VAL 405 HB -0.34 -0.11 0.16 -0.04 2.12 1.79 2vj9A1 VAL 405 HG13 -0.12 0.00 -0.27 -0.04 0.97 0.54 2vj9A1 VAL 405 HG23 -0.50 0.03 -0.22 -0.04 0.95 0.21 2vj9A1 PHE 406 H -0.36 0.73 0.42 -0.55 8.34 8.58 2vj9A1 PHE 406 HA -0.45 0.14 0.84 -0.75 4.62 4.40 2vj9A1 PHE 406 HB2 -2.05 0.03 0.30 -0.04 3.15 1.39 2vj9A1 PHE 406 HB3 -1.09 -0.01 0.12 -0.04 3.06 2.03 2vj9A1 PHE 406 HD2 -1.26 0.06 0.00 -0.04 7.28 6.04 2vj9A1 PHE 406 HE2 -0.35 0.04 -0.02 -0.04 7.38 7.01 2vj9A1 PHE 406 HZ -0.20 -0.04 -0.11 -0.04 7.32 6.94 2vj9A1 ASP 407 H -0.12 0.64 0.17 -0.55 8.40 8.54 2vj9A1 ASP 407 HA -0.03 0.05 0.57 -0.75 4.63 4.46 2vj9A1 ASP 407 HB2 0.01 -0.01 -0.06 -0.04 2.71 2.60 2vj9A1 ASP 407 HB3 -0.01 0.14 0.14 -0.04 2.70 2.93 2vj9A1 ARG 408 H 0.04 0.39 0.29 -0.55 8.46 8.63 2vj9A1 ARG 408 HA 0.25 0.02 0.37 -0.75 4.34 4.22 2vj9A1 ARG 408 HB2 0.19 0.21 0.06 -0.04 1.90 2.32 2vj9A1 ARG 408 HB3 0.28 -0.01 0.01 -0.04 1.80 2.03 2vj9A1 ARG 408 HG2 0.27 -0.02 -0.03 -0.04 1.67 1.84 2vj9A1 ARG 408 HG3 0.10 0.01 -0.05 -0.04 1.67 1.69 2vj9A1 ARG 408 HD2 -0.02 0.03 -0.04 -0.04 3.22 3.14 2vj9A1 ARG 408 HD3 0.02 -0.03 -0.15 -0.04 3.22 3.02 2vj9A1 ALA 409 H 0.09 0.29 -0.01 -0.55 8.40 8.22 2vj9A1 ALA 409 HA 0.08 0.07 0.37 -0.75 4.34 4.11 2vj9A1 ALA 409 HB3 0.05 -0.02 0.06 -0.04 1.41 1.46 2vj9A1 ARG 410 H 0.01 0.09 -0.37 -0.55 8.46 7.65 2vj9A1 ARG 410 HA -0.00 0.23 0.82 -0.75 4.34 4.63 2vj9A1 ARG 410 HB2 -0.10 -0.03 -0.03 -0.04 1.90 1.70 2vj9A1 ARG 410 HB3 -0.09 0.02 0.08 -0.04 1.80 1.77 2vj9A1 ARG 410 HG2 -0.04 0.08 -0.13 -0.04 1.67 1.54 2vj9A1 ARG 410 HG3 -0.04 -0.10 -0.21 -0.04 1.67 1.29 2vj9A1 ARG 410 HD2 -0.08 -0.01 -0.07 -0.04 3.22 3.02 2vj9A1 ARG 410 HD3 -0.16 -0.03 -0.08 -0.04 3.22 2.91 2vj9A1 LYS 411 H 0.07 0.27 -0.39 -0.55 8.42 7.81 2vj9A1 LYS 411 HA 0.11 -0.02 0.34 -0.75 4.32 4.00 2vj9A1 LYS 411 HB2 0.03 0.10 -0.15 -0.04 1.87 1.81 2vj9A1 LYS 411 HB3 0.05 0.01 0.20 -0.04 1.79 2.00 2vj9A1 LYS 411 HG2 0.05 0.03 0.04 -0.04 1.46 1.53 2vj9A1 LYS 411 HG3 0.03 0.05 -0.15 -0.04 1.46 1.34 2vj9A1 LYS 411 HD2 -0.00 -0.03 -0.00 -0.04 1.69 1.61 2vj9A1 LYS 411 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2vj9A1 LYS 411 HE2 0.02 0.11 0.03 -0.04 2.99 3.10 2vj9A1 LYS 411 HE3 -0.03 -0.08 -0.03 -0.04 2.99 2.82 2vj9A1 ARG 412 H 0.06 0.50 0.01 -0.55 8.46 8.48 2vj9A1 ARG 412 HA 0.11 0.04 0.78 -0.75 4.34 4.52 2vj9A1 ARG 412 HB2 0.15 -0.00 -0.17 -0.04 1.90 1.84 2vj9A1 ARG 412 HB3 0.03 0.17 -0.31 -0.04 1.80 1.65 2vj9A1 ARG 412 HG2 -0.08 -0.05 -0.28 -0.04 1.67 1.22 2vj9A1 ARG 412 HG3 -0.02 -0.10 -0.28 -0.04 1.67 1.22 2vj9A1 ARG 412 HD2 -0.46 -0.03 -0.19 -0.04 3.22 2.50 2vj9A1 ARG 412 HD3 -0.23 0.12 -0.15 -0.04 3.22 2.93 2vj9A1 ILE 413 H 0.13 0.79 0.26 -0.55 8.25 8.89 2vj9A1 ILE 413 HA -0.25 0.27 1.15 -0.75 4.18 4.60 2vj9A1 ILE 413 HB 0.07 -0.02 0.08 -0.04 1.89 1.98 2vj9A1 ILE 413 HG12 0.07 -0.01 -0.24 -0.04 1.49 1.27 2vj9A1 ILE 413 HG13 0.00 -0.00 -0.14 -0.04 1.21 1.03 2vj9A1 ILE 413 HG23 -0.82 0.00 -0.15 -0.04 0.93 -0.08 2vj9A1 ILE 413 HD13 -0.29 0.01 -0.09 -0.04 0.88 0.47 2vj9A1 GLY 414 H -0.38 0.59 0.35 -0.55 8.43 8.45 2vj9A1 GLY 414 HA2 -0.58 0.31 0.90 -0.51 4.01 4.14 2vj9A1 GLY 414 HA3 -0.84 -0.05 0.25 -0.51 4.01 2.86 2vj9A1 PHE 415 H -0.20 0.74 0.38 -0.55 8.34 8.71 2vj9A1 PHE 415 HA -0.24 0.31 1.08 -0.75 4.62 5.01 2vj9A1 PHE 415 HB2 -0.08 -0.02 0.12 -0.04 3.15 3.12 2vj9A1 PHE 415 HB3 -0.25 0.02 -0.01 -0.04 3.06 2.78 2vj9A1 PHE 415 HD2 -0.20 0.08 -0.13 -0.04 7.28 6.99 2vj9A1 PHE 415 HE2 -0.11 0.01 -0.14 -0.04 7.38 7.09 2vj9A1 PHE 415 HZ -0.13 -0.04 -0.12 -0.04 7.32 6.99 2vj9A1 ALA 416 H 0.02 0.57 0.34 -0.55 8.40 8.79 2vj9A1 ALA 416 HA 0.10 0.19 0.60 -0.75 4.34 4.47 2vj9A1 ALA 416 HB3 -0.10 0.01 -0.09 -0.04 1.41 1.18 2vj9A1 VAL 417 H 0.16 0.21 0.20 -0.55 8.24 8.27 2vj9A1 VAL 417 HA 0.18 0.14 0.65 -0.75 4.13 4.34 2vj9A1 VAL 417 HB 0.01 0.02 0.17 -0.04 2.12 2.28 2vj9A1 VAL 417 HG13 -0.36 0.05 -0.05 -0.04 0.97 0.57 2vj9A1 VAL 417 HG23 0.04 0.00 0.08 -0.04 0.95 1.03 2vj9A1 SER 418 H -0.02 0.67 0.27 -0.55 8.46 8.83 2vj9A1 SER 418 HA 0.11 0.19 0.47 -0.75 4.49 4.51 2vj9A1 SER 418 HB2 0.09 0.01 -0.65 -0.04 3.95 3.36 2vj9A1 SER 418 HB3 0.02 -0.02 -0.19 -0.04 3.93 3.70 2vj9A1 ALA 419 H 0.01 0.59 0.14 -0.55 8.40 8.59 2vj9A1 ALA 419 HA 0.02 0.09 0.47 -0.75 4.34 4.17 2vj9A1 ALA 419 HB3 -0.03 -0.00 -0.02 -0.04 1.41 1.32 2vj9A1 CYS 420 H 0.04 0.01 -0.35 -0.55 8.50 7.65 2vj9A1 CYS 420 HA 0.02 0.28 0.83 -0.75 4.58 4.96 2vj9A1 CYS 420 HB2 0.01 0.03 0.11 -0.04 2.97 3.07 2vj9A1 CYS 420 HB3 0.01 -0.01 -0.10 -0.04 2.97 2.83 2vj9A1 HIS 421 H 0.21 0.31 -0.33 -0.55 8.41 8.06 2vj9A1 HIS 421 HA -0.10 0.01 0.68 -0.75 4.63 4.47 2vj9A1 HIS 421 HB2 -0.23 0.02 0.23 -0.04 3.26 3.25 2vj9A1 HIS 421 HB3 -0.15 0.07 0.24 -0.04 3.20 3.32 2vj9A1 HIS 421 HD2 -0.23 -0.15 0.00 -0.04 6.97 6.54 2vj9A1 HIS 421 HE1 -0.44 -0.02 -0.03 -0.04 7.75 7.21 2vj9A1 VAL 422 H -0.12 0.13 0.20 -0.55 8.24 7.90 2vj9A1 VAL 422 HA -0.17 0.16 0.76 -0.75 4.13 4.13 2vj9A1 VAL 422 HB -0.15 -0.01 0.10 -0.04 2.12 2.02 2vj9A1 VAL 422 HG13 -0.20 -0.01 -0.03 -0.04 0.97 0.69 2vj9A1 VAL 422 HG23 -0.07 0.03 0.02 -0.04 0.95 0.88 2vj9A1 HIS 423 H -0.22 0.33 0.26 -0.55 8.41 8.23 2vj9A1 HIS 423 HA -0.28 -0.01 0.54 -0.75 4.63 4.13 2vj9A1 HIS 423 HB2 -0.09 0.17 0.33 -0.04 3.26 3.63 2vj9A1 HIS 423 HB3 -0.19 0.01 -0.18 -0.04 3.20 2.79 2vj9A1 HIS 423 HD2 0.00 0.16 -0.00 -0.04 6.97 7.08 2vj9A1 HIS 423 HE1 -0.14 0.01 -0.04 -0.04 7.75 7.54 2vj9A1 ASP 424 H -0.08 0.24 0.24 -0.55 8.40 8.24 2vj9A1 ASP 424 HA -0.32 0.27 0.95 -0.75 4.63 4.78 2vj9A1 ASP 424 HB2 -0.06 -0.14 0.23 -0.04 2.71 2.70 2vj9A1 ASP 424 HB3 -0.17 0.09 0.03 -0.04 2.70 2.62 2vj9A1 GLU 425 H -0.25 0.15 0.15 -0.55 8.60 8.10 2vj9A1 GLU 425 HA -0.19 0.22 0.50 -0.75 4.29 4.06 2vj9A1 GLU 425 HB2 -0.29 0.04 0.16 -0.04 2.09 1.96 2vj9A1 GLU 425 HB3 -0.26 0.00 0.10 -0.04 1.99 1.78 2vj9A1 GLU 425 HG2 -1.43 0.03 -0.24 -0.04 2.34 0.66 2vj9A1 GLU 425 HG3 -0.54 0.02 0.01 -0.04 2.34 1.79 2vj9A1 PHE 426 H -0.00 -0.12 -0.41 -0.55 8.34 7.26 2vj9A1 PHE 426 HA 0.03 0.26 0.99 -0.75 4.62 5.14 2vj9A1 PHE 426 HB2 0.03 -0.07 0.03 -0.04 3.15 3.10 2vj9A1 PHE 426 HB3 0.03 0.04 -0.02 -0.04 3.06 3.07 2vj9A1 PHE 426 HD2 0.02 -0.00 0.00 -0.04 7.28 7.26 2vj9A1 PHE 426 HE2 0.02 0.00 -0.02 -0.04 7.38 7.34 2vj9A1 PHE 426 HZ 0.01 0.00 -0.02 -0.04 7.32 7.27 2vj9A1 ARG 427 H 0.15 -0.03 0.05 -0.55 8.46 8.07 2vj9A1 ARG 427 HA 0.12 0.25 0.90 -0.75 4.34 4.86 2vj9A1 ARG 427 HB2 0.10 -0.08 -0.01 -0.04 1.90 1.87 2vj9A1 ARG 427 HB3 0.09 0.03 -0.02 -0.04 1.80 1.86 2vj9A1 ARG 427 HG2 0.11 0.11 -0.14 -0.04 1.67 1.71 2vj9A1 ARG 427 HG3 0.16 -0.12 -0.33 -0.04 1.67 1.34 2vj9A1 ARG 427 HD2 0.09 -0.03 -0.05 -0.04 3.22 3.19 2vj9A1 ARG 427 HD3 0.08 0.05 -0.06 -0.04 3.22 3.25 2vj9A1 THR 428 H 0.08 0.27 0.12 -0.55 8.28 8.20 2vj9A1 THR 428 HA 0.11 0.11 0.86 -0.75 4.39 4.72 2vj9A1 THR 428 HB 0.02 -0.03 -0.04 -0.04 4.32 4.23 2vj9A1 THR 428 HG23 -0.08 0.11 -0.02 -0.04 1.22 1.18 2vj9A1 ALA 429 H 0.12 0.14 0.12 -0.55 8.40 8.24 2vj9A1 ALA 429 HA 0.04 0.07 0.56 -0.75 4.34 4.26 2vj9A1 ALA 429 HB3 -0.12 0.02 0.18 -0.04 1.41 1.45 2vj9A1 ALA 430 H 0.14 0.20 0.35 -0.55 8.40 8.54 2vj9A1 ALA 430 HA 0.04 0.17 0.90 -0.75 4.34 4.70 2vj9A1 ALA 430 HB3 0.03 0.01 -0.10 -0.04 1.41 1.31 2vj9A1 VAL 431 H 0.09 0.25 0.19 -0.55 8.24 8.22 2vj9A1 VAL 431 HA -0.03 0.36 0.89 -0.75 4.13 4.59 2vj9A1 VAL 431 HB 0.15 -0.01 0.19 -0.04 2.12 2.40 2vj9A1 VAL 431 HG13 0.01 0.03 -0.11 -0.04 0.97 0.87 2vj9A1 VAL 431 HG23 0.11 -0.02 -0.27 -0.04 0.95 0.72 2vj9A1 GLU 432 H -0.18 0.57 0.30 -0.55 8.60 8.74 2vj9A1 GLU 432 HA -0.21 0.16 0.92 -0.75 4.29 4.40 2vj9A1 GLU 432 HB2 -0.05 0.04 0.05 -0.04 2.09 2.09 2vj9A1 GLU 432 HB3 -0.00 0.06 -0.23 -0.04 1.99 1.78 2vj9A1 GLU 432 HG2 -0.03 0.01 -0.07 -0.04 2.34 2.20 2vj9A1 GLU 432 HG3 0.15 -0.01 -0.16 -0.04 2.34 2.28 2vj9A1 GLY 433 H -0.34 0.41 0.28 -0.55 8.43 8.23 2vj9A1 GLY 433 HA2 -0.86 0.06 0.35 -0.51 4.01 3.05 2vj9A1 GLY 433 HA3 -1.23 0.06 0.50 -0.51 4.01 2.84 2vj9A1 PRO 434 HA -0.33 0.19 0.58 -0.51 4.44 4.37 2vj9A1 PRO 434 HB2 0.10 0.06 0.01 -0.04 2.28 2.41 2vj9A1 PRO 434 HB3 0.36 -0.00 0.10 -0.04 2.02 2.44 2vj9A1 PRO 434 HG2 0.03 0.02 0.09 -0.04 2.03 2.13 2vj9A1 PRO 434 HG3 0.18 0.02 0.08 -0.04 2.03 2.27 2vj9A1 PRO 434 HD2 0.00 0.08 0.39 -0.04 3.68 4.12 2vj9A1 PRO 434 HD3 0.35 0.09 0.19 -0.04 3.65 4.23 2vj9A1 PHE 435 H 0.09 0.71 0.39 -0.55 8.34 8.98 2vj9A1 PHE 435 HA 0.03 0.18 0.93 -0.75 4.62 5.01 2vj9A1 PHE 435 HB2 0.10 -0.04 -0.06 -0.04 3.15 3.11 2vj9A1 PHE 435 HB3 0.07 0.04 -0.02 -0.04 3.06 3.11 2vj9A1 PHE 435 HD2 -0.02 0.00 -0.06 -0.04 7.28 7.16 2vj9A1 PHE 435 HE2 -0.10 0.05 -0.14 -0.04 7.38 7.14 2vj9A1 PHE 435 HZ -0.05 -0.00 -0.15 -0.04 7.32 7.07 2vj9A1 VAL 436 H 0.16 0.16 0.16 -0.55 8.24 8.18 2vj9A1 VAL 436 HA 0.09 0.41 1.17 -0.75 4.13 5.05 2vj9A1 VAL 436 HB 0.05 0.08 -0.02 -0.04 2.12 2.19 2vj9A1 VAL 436 HG13 0.06 0.00 -0.15 -0.04 0.97 0.84 2vj9A1 VAL 436 HG23 0.06 -0.03 -0.01 -0.04 0.95 0.93 2vj9A1 THR 437 H 0.05 0.69 0.28 -0.55 8.28 8.75 2vj9A1 THR 437 HA 0.00 0.10 0.96 -0.75 4.39 4.70 2vj9A1 THR 437 HB 0.02 0.09 0.10 -0.04 4.32 4.49 2vj9A1 THR 437 HG23 -0.01 -0.04 0.01 -0.04 1.22 1.14 2vj9A1 LEU 438 H 0.00 0.11 0.13 -0.55 8.37 8.06 2vj9A1 LEU 438 HA 0.01 0.16 0.52 -0.75 4.35 4.29 2vj9A1 ASP 439 H -0.00 0.00 -0.04 -0.55 8.40 7.81 2vj9A1 ASP 439 HA -0.00 0.05 0.59 -0.75 4.63 4.51 2vj9A1 ASP 439 HB2 -0.01 -0.00 0.11 -0.04 2.71 2.77 2vj9A1 ASP 439 HB3 -0.01 0.05 0.12 -0.04 2.70 2.82 2vj9A1 MET 440 H 0.00 0.11 0.17 -0.55 8.47 8.20 2vj9A1 MET 440 HA 0.01 0.21 0.44 -0.75 4.52 4.44 2vj9A1 MET 440 HB2 0.00 -0.05 0.08 -0.04 2.15 2.15 2vj9A1 MET 440 HB3 0.01 -0.01 0.11 -0.04 2.03 2.10 2vj9A1 MET 440 HG2 0.01 0.04 -0.06 -0.04 2.63 2.58 2vj9A1 MET 440 HG3 0.01 0.15 -0.00 -0.04 2.56 2.67 2vj9A1 MET 440 HE3 0.00 -0.00 0.02 -0.04 2.10 2.08 2vj9A1 GLU 441 H -0.00 -0.05 -0.28 -0.55 8.60 7.72 2vj9A1 GLU 441 HA -0.00 0.02 0.39 -0.75 4.29 3.94 2vj9A1 GLU 441 HB2 -0.01 -0.04 0.05 -0.04 2.09 2.05 2vj9A1 GLU 441 HB3 -0.01 -0.04 -0.03 -0.04 1.99 1.87 2vj9A1 GLU 441 HG2 -0.00 0.28 -0.46 -0.04 2.34 2.12 2vj9A1 GLU 441 HG3 -0.01 0.00 -0.00 -0.04 2.34 2.28 2vj9A1 ASP 442 H 0.00 0.10 0.18 -0.55 8.40 8.13 2vj9A1 ASP 442 HA 0.02 0.06 0.64 -0.75 4.63 4.60 2vj9A1 ASP 442 HB2 0.01 0.04 0.15 -0.04 2.71 2.87 2vj9A1 ASP 442 HB3 0.00 0.02 0.16 -0.04 2.70 2.84 2vj9A1 CYS 443 H 0.04 0.16 0.10 -0.55 8.50 8.25 2vj9A1 CYS 443 HA 0.04 0.01 0.28 -0.75 4.58 4.16 2vj9A1 CYS 443 HB2 0.06 -0.04 -0.08 -0.04 2.97 2.88 2vj9A1 CYS 443 HB3 0.09 0.16 -0.07 -0.04 2.97 3.11 2vj9A1 GLY 444 H 0.06 -0.02 -0.29 -0.55 8.43 7.63 2vj9A1 GLY 444 HA2 0.12 0.04 0.53 -0.51 4.01 4.19 2vj9A1 GLY 444 HA3 0.09 0.07 0.24 -0.51 4.01 3.89 2vj9A1 TYR 445 H 0.25 0.17 0.16 -0.55 8.29 8.32 2vj9A1 TYR 445 HA 0.06 0.03 0.36 -0.75 4.56 4.25 2vj9A1 TYR 445 HB2 0.13 0.12 -0.10 -0.04 3.06 3.17 2vj9A1 TYR 445 HB3 0.13 0.11 0.11 -0.04 2.98 3.28 2vj9A1 TYR 445 HD2 0.12 0.06 -0.12 -0.04 7.15 7.17 2vj9A1 TYR 445 HE2 0.01 -0.03 -0.03 -0.04 6.85 6.75 2vj9A1 ASN 446 H 0.16 0.04 -0.08 -0.55 8.53 8.11 2vj9A1 ASN 446 HA -0.03 0.14 0.81 -0.75 4.76 4.94 2vj9A1 ASN 446 HB2 0.07 -0.03 -0.04 -0.04 2.88 2.84 2vj9A1 ASN 446 HB3 0.03 0.09 -0.00 -0.04 2.79 2.87 2vj9A1 ASN 446 HD21 0.29 0.12 0.07 -0.04 7.03 7.46 2vj9A1 ASN 446 HD22 0.20 -0.05 0.06 -0.04 7.74 7.90 2vj9A1 ILE 447 H -0.03 0.10 0.09 -0.55 8.25 7.86 2vj9A1 ILE 447 HA -0.01 0.08 0.49 -0.75 4.18 3.98 2vj9A1 ILE 447 HB -0.03 -0.03 0.11 -0.04 1.89 1.91 2vj9A1 ILE 447 HG12 -0.03 0.01 0.02 -0.04 1.49 1.44 2vj9A1 ILE 447 HG13 -0.05 -0.03 0.07 -0.04 1.21 1.16 2vj9A1 ILE 447 HG23 -0.02 0.06 -0.11 -0.04 0.93 0.82 2vj9A1 ILE 447 HD13 -0.03 -0.01 0.01 -0.04 0.88 0.82 2vj9A1 PRO 448 HA -0.02 0.04 0.39 -0.51 4.44 4.34 2vj9A1 PRO 448 HB2 -0.01 0.01 -0.01 -0.04 2.28 2.24 2vj9A1 PRO 448 HB3 -0.00 0.06 0.12 -0.04 2.02 2.15 2vj9A1 PRO 448 HG2 0.01 -0.01 0.08 -0.04 2.03 2.07 2vj9A1 PRO 448 HG3 0.02 0.04 0.09 -0.04 2.03 2.14 2vj9A1 PRO 448 HD2 -0.00 0.05 0.19 -0.04 3.68 3.87 2vj9A1 PRO 448 HD3 0.00 0.21 0.29 -0.04 3.65 4.11 2vj9A1 GLN 449 H -0.05 0.12 0.15 -0.55 8.47 8.15 2vj9A1 GLN 449 HA -0.05 0.01 0.33 -0.75 4.36 3.89 2vj9A1 GLN 449 HB2 -0.03 -0.02 0.20 -0.04 2.15 2.26 2vj9A1 GLN 449 HB3 -0.03 -0.03 0.04 -0.04 2.02 1.95 2vj9A1 GLN 449 HG2 -0.02 0.49 -0.21 -0.04 2.40 2.62 2vj9A1 GLN 449 HG3 -0.02 -0.07 -0.06 -0.04 2.39 2.19 2vj9A1 GLN 449 HE21 -0.00 -0.04 -0.06 -0.04 6.97 6.83 2vj9A1 GLN 449 HE22 -0.01 0.02 -0.10 -0.04 7.69 7.57 2vj9A1 THR 450 H -0.05 0.15 -0.47 -0.55 8.28 7.36 2vj9A1 THR 450 HA -0.03 0.07 0.58 -0.75 4.39 4.25 2vj9A1 THR 450 HB -0.03 -0.05 0.04 -0.04 4.32 4.24 2vj9A1 THR 450 HG23 -0.02 0.04 -0.23 -0.04 1.22 0.97