============================================================================= 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. PHE 4 1.000 41.663 45.626 108.820 -99.200 -91.000 PHE 5 1.000 46.433 46.800 108.390 -99.200 -91.000 PHE 25 1.000 54.406 48.765 91.788 -99.200 -91.000 HIS 31 0.900 55.618 69.799 90.572 -99.200 -91.000 HIS 36 0.900 57.330 66.210 95.317 -99.200 -91.000 TYR 37 0.840 48.842 68.675 95.280 -99.200 -91.000 PHE 39 1.000 52.276 58.458 100.531 -99.200 -91.000 PHE 45 1.000 51.524 49.496 99.943 -99.200 -91.000 TYR 46 0.840 46.232 51.836 106.194 -99.200 -91.000 TYR 47 0.840 40.970 46.008 103.057 -99.200 -91.000 PHE 58 1.000 51.595 42.350 99.652 -99.200 -91.000 PHE 62 1.000 54.394 30.975 91.481 -99.200 -91.000 PHE 71 1.000 60.647 43.554 97.131 -99.200 -91.000 TRP 81 1.040 67.898 68.040 105.103 -99.200 -91.000 TRP6 81 1.020 67.494 70.203 104.234 -99.200 -91.000 TYR 102 0.840 66.615 46.949 104.005 -99.200 -91.000 PHE 106 1.000 60.302 45.633 92.429 -99.200 -91.000 PHE 113 1.000 57.362 38.963 86.083 -99.200 -91.000 PHE 114 1.000 65.855 32.800 82.630 -99.200 -91.000 HIS 120 0.900 46.838 34.959 85.542 -99.200 -91.000 TYR 122 0.840 45.530 38.363 88.827 -99.200 -91.000 TRP 130 1.040 39.709 56.958 75.648 -99.200 -91.000 TRP6 130 1.020 40.176 54.715 75.090 -99.200 -91.000 PHE 140 1.000 56.233 46.518 87.668 -99.200 -91.000 HIS 143 0.900 60.821 47.309 81.942 -99.200 -91.000 TYR 148 0.840 60.204 39.728 82.263 -99.200 -91.000 HIS 150 0.900 56.795 35.004 78.922 -99.200 -91.000 TYR 157 0.840 39.996 49.759 91.840 -99.200 -91.000 PHE 166 1.000 30.624 42.267 101.736 -99.200 -91.000 TYR 187 0.840 26.276 68.629 118.789 -99.200 -91.000 HIS 192 0.900 32.448 79.347 118.897 -99.200 -91.000 TYR 198 0.840 36.650 84.213 105.276 -99.200 -91.000 PHE 204 1.000 34.230 70.316 110.707 -99.200 -91.000 PHE 206 1.000 40.661 75.699 118.359 -99.200 -91.000 HIS 215 0.900 46.036 64.049 106.532 -99.200 -91.000 HIS 216 0.900 39.628 69.130 107.568 -99.200 -91.000 PHE 218 1.000 33.496 65.661 102.793 -99.200 -91.000 HIS 232 0.900 30.558 67.471 95.214 -99.200 -91.000 TYR 233 0.840 29.905 78.030 98.179 -99.200 -91.000 TYR 256 0.840 46.179 56.806 106.977 -99.200 -91.000 TYR 257 0.840 39.083 52.347 108.019 -99.200 -91.000 TYR 263 0.840 23.431 69.697 112.190 -99.200 -91.000 PHE 265 1.000 24.369 76.196 111.136 -99.200 -91.000 PHE 271 1.000 15.729 75.052 111.046 -99.200 -91.000 TYR 279 0.840 16.221 70.410 109.094 -99.200 -91.000 PHE 299 1.000 23.411 51.986 96.399 -99.200 -91.000 HIS 305 0.900 10.746 54.605 100.693 -99.200 -91.000 TYR 329 0.840 12.041 72.704 92.849 -99.200 -91.000 TYR 330 0.840 17.318 63.772 95.453 -99.200 -91.000 TYR 331 0.840 20.198 69.762 91.582 -99.200 -91.000 HIS 332 0.900 22.096 64.821 96.036 -99.200 -91.000 HIS 336 0.900 28.933 58.671 99.682 -99.200 -91.000 PHE 337 1.000 29.069 50.248 98.498 -99.200 -91.000 HIS 343 0.900 31.629 60.651 97.070 -99.200 -91.000 TYR 348 0.840 27.914 52.626 94.558 -99.200 -91.000 TYR 365 0.840 20.362 70.204 96.957 -99.200 -91.000 HIS 386 0.900 17.967 50.899 109.726 -99.200 -91.000 PHE 403 1.000 24.243 72.636 120.671 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ig4A1 LYS 2 HA 0.10 0.04 0.24 -0.75 4.32 3.94 3ig4A1 LYS 2 HB2 0.01 0.03 0.07 -0.04 1.87 1.94 3ig4A1 LYS 2 HB3 0.01 -0.11 -0.02 -0.04 1.79 1.63 3ig4A1 LYS 2 HG2 0.04 0.07 0.09 -0.04 1.46 1.62 3ig4A1 LYS 2 HG3 0.02 0.02 0.04 -0.04 1.46 1.50 3ig4A1 LYS 2 HD2 0.02 -0.01 0.01 -0.04 1.69 1.67 3ig4A1 LYS 2 HD3 0.05 -0.13 0.09 -0.04 1.68 1.65 3ig4A1 LYS 2 HE2 0.03 0.08 0.07 -0.04 2.99 3.13 3ig4A1 LYS 2 HE3 0.04 0.07 0.08 -0.04 2.99 3.14 3ig4A1 SER 3 H 0.10 0.17 0.12 -0.55 8.46 8.30 3ig4A1 SER 3 HA 0.35 0.22 0.22 -0.75 4.49 4.53 3ig4A1 SER 3 HB2 0.08 -0.00 -0.46 -0.04 3.95 3.52 3ig4A1 SER 3 HB3 0.08 0.20 0.09 -0.04 3.93 4.25 3ig4A1 LYS 4 H 0.03 0.06 -0.36 -0.55 8.42 7.61 3ig4A1 LYS 4 HA -0.01 0.05 0.36 -0.75 4.32 3.97 3ig4A1 LYS 4 HB2 0.00 -0.01 0.07 -0.04 1.87 1.89 3ig4A1 LYS 4 HB3 -0.00 0.03 -0.00 -0.04 1.79 1.77 3ig4A1 LYS 4 HG2 -0.03 -0.01 0.02 -0.04 1.46 1.40 3ig4A1 LYS 4 HG3 -0.02 0.01 0.05 -0.04 1.46 1.46 3ig4A1 LYS 4 HD2 -0.01 -0.01 -0.00 -0.04 1.69 1.63 3ig4A1 LYS 4 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.58 3ig4A1 LYS 4 HE2 -0.02 0.01 -0.00 -0.04 2.99 2.93 3ig4A1 LYS 4 HE3 -0.02 0.01 0.00 -0.04 2.99 2.94 3ig4A1 PHE 5 H 0.01 0.63 -0.18 -0.55 8.34 8.24 3ig4A1 PHE 5 HA -0.23 -0.01 0.50 -0.75 4.62 4.12 3ig4A1 PHE 5 HB2 -0.29 -0.11 0.10 -0.04 3.15 2.82 3ig4A1 PHE 5 HB3 -0.60 0.29 0.14 -0.04 3.06 2.85 3ig4A1 PHE 5 HD2 -1.24 -0.01 -0.05 -0.04 7.28 5.94 3ig4A1 PHE 5 HE2 -0.27 -0.02 -0.01 -0.04 7.38 7.04 3ig4A1 PHE 5 HZ -0.05 0.01 0.00 -0.04 7.32 7.24 3ig4A1 PHE 6 H -0.23 0.30 -0.10 -0.55 8.34 7.76 3ig4A1 PHE 6 HA -0.65 0.14 0.58 -0.75 4.62 3.94 3ig4A1 PHE 6 HB2 -0.18 0.19 0.02 -0.04 3.15 3.15 3ig4A1 PHE 6 HB3 -0.32 0.07 -0.28 -0.04 3.06 2.49 3ig4A1 PHE 6 HD2 -0.22 0.15 -0.13 -0.04 7.28 7.04 3ig4A1 PHE 6 HE2 -0.19 -0.02 -0.11 -0.04 7.38 7.02 3ig4A1 PHE 6 HZ -0.07 -0.03 -0.05 -0.04 7.32 7.13 3ig4A1 ALA 7 H -0.04 0.50 -0.07 -0.55 8.40 8.25 3ig4A1 ALA 7 HA -0.06 0.08 0.45 -0.75 4.34 4.05 3ig4A1 ALA 7 HB3 -0.03 0.02 0.10 -0.04 1.41 1.45 3ig4A1 GLN 8 H -0.18 0.43 -0.26 -0.55 8.47 7.92 3ig4A1 GLN 8 HA -0.11 0.01 0.53 -0.75 4.36 4.03 3ig4A1 GLN 8 HB2 -0.19 0.15 0.18 -0.04 2.15 2.24 3ig4A1 GLN 8 HB3 -0.14 -0.03 0.00 -0.04 2.02 1.81 3ig4A1 GLN 8 HG2 -0.07 -0.05 0.06 -0.04 2.40 2.30 3ig4A1 GLN 8 HG3 -0.08 0.03 0.06 -0.04 2.39 2.36 3ig4A1 GLN 8 HE21 -0.03 -0.06 -0.00 -0.04 6.97 6.84 3ig4A1 GLN 8 HE22 -0.04 -0.01 0.01 -0.04 7.69 7.61 3ig4A1 ASN 9 H -0.43 0.40 -0.18 -0.55 8.53 7.78 3ig4A1 ASN 9 HA -0.23 -0.01 0.53 -0.75 4.76 4.29 3ig4A1 ASN 9 HB2 -0.51 0.22 0.29 -0.04 2.88 2.84 3ig4A1 ASN 9 HB3 -0.39 -0.08 0.01 -0.04 2.79 2.29 3ig4A1 ASN 9 HD21 -2.20 -0.18 0.02 -0.04 7.03 4.62 3ig4A1 ASN 9 HD22 -1.25 0.48 0.19 -0.04 7.74 7.12 3ig4A1 ARG 10 H -0.18 0.59 -0.17 -0.55 8.46 8.16 3ig4A1 ARG 10 HA -0.08 -0.01 0.47 -0.75 4.34 3.96 3ig4A1 ARG 10 HB2 -0.06 0.15 0.17 -0.04 1.90 2.11 3ig4A1 ARG 10 HB3 0.00 -0.10 0.03 -0.04 1.80 1.69 3ig4A1 ARG 10 HG2 -0.20 -0.13 0.06 -0.04 1.67 1.36 3ig4A1 ARG 10 HG3 -0.17 0.38 0.16 -0.04 1.67 1.99 3ig4A1 ARG 10 HD2 0.16 -0.13 -0.01 -0.04 3.22 3.20 3ig4A1 ARG 10 HD3 -0.29 0.04 0.00 -0.04 3.22 2.94 3ig4A1 GLU 11 H -0.09 0.43 -0.13 -0.55 8.60 8.26 3ig4A1 GLU 11 HA -0.05 0.01 0.43 -0.75 4.29 3.93 3ig4A1 GLU 11 HB2 -0.07 0.11 0.23 -0.04 2.09 2.31 3ig4A1 GLU 11 HB3 -0.06 -0.05 -0.01 -0.04 1.99 1.84 3ig4A1 GLU 11 HG2 -0.04 -0.04 0.05 -0.04 2.34 2.26 3ig4A1 GLU 11 HG3 -0.05 0.07 0.07 -0.04 2.34 2.39 3ig4A1 ARG 12 H -0.08 0.59 -0.12 -0.55 8.46 8.30 3ig4A1 ARG 12 HA -0.06 0.01 0.46 -0.75 4.34 3.99 3ig4A1 ARG 12 HB2 -0.05 0.11 0.11 -0.04 1.90 2.03 3ig4A1 ARG 12 HB3 -0.06 -0.04 0.03 -0.04 1.80 1.69 3ig4A1 ARG 12 HG2 -0.07 -0.08 0.03 -0.04 1.67 1.51 3ig4A1 ARG 12 HG3 -0.09 0.25 0.09 -0.04 1.67 1.89 3ig4A1 ARG 12 HD2 -0.04 0.04 0.01 -0.04 3.22 3.18 3ig4A1 ARG 12 HD3 -0.07 -0.02 0.01 -0.04 3.22 3.10 3ig4A1 LEU 13 H -0.06 0.49 -0.27 -0.55 8.37 7.99 3ig4A1 LEU 13 HA -0.05 0.00 0.39 -0.75 4.35 3.94 3ig4A1 LEU 13 HB2 -0.03 0.00 0.03 -0.04 1.64 1.61 3ig4A1 LEU 13 HB3 -0.04 0.11 0.15 -0.04 1.64 1.81 3ig4A1 LEU 13 HG -0.05 0.04 -0.35 -0.04 1.64 1.24 3ig4A1 LEU 13 HD13 -0.06 -0.03 -0.08 -0.04 0.93 0.72 3ig4A1 LEU 13 HD23 0.00 -0.02 -0.12 -0.04 0.89 0.71 3ig4A1 VAL 14 H -0.05 0.63 -0.15 -0.55 8.24 8.12 3ig4A1 VAL 14 HA -0.08 0.00 0.38 -0.75 4.13 3.68 3ig4A1 VAL 14 HB -0.05 0.16 0.16 -0.04 2.12 2.35 3ig4A1 VAL 14 HG13 -0.06 -0.01 -0.23 -0.04 0.97 0.62 3ig4A1 VAL 14 HG23 -0.04 0.01 -0.03 -0.04 0.95 0.85 3ig4A1 ASN 15 H -0.06 0.35 -0.33 -0.55 8.53 7.94 3ig4A1 ASN 15 HA -0.06 0.07 0.44 -0.75 4.76 4.46 3ig4A1 ASN 15 HB2 -0.06 0.13 0.09 -0.04 2.88 3.01 3ig4A1 ASN 15 HB3 -0.05 -0.08 0.08 -0.04 2.79 2.70 3ig4A1 ASN 15 HD21 -0.04 -0.08 -0.02 -0.04 7.03 6.85 3ig4A1 ASN 15 HD22 -0.05 -0.03 0.00 -0.04 7.74 7.62 3ig4A1 THR 16 H -0.08 0.34 -0.57 -0.55 8.28 7.43 3ig4A1 THR 16 HA -0.06 0.08 0.70 -0.75 4.39 4.35 3ig4A1 THR 16 HB -0.07 -0.13 0.10 -0.04 4.32 4.18 3ig4A1 THR 16 HG23 -0.06 0.07 -0.01 -0.04 1.22 1.18 3ig4A1 LEU 17 H -0.12 0.36 -0.30 -0.55 8.37 7.76 3ig4A1 LEU 17 HA -0.29 0.07 0.71 -0.75 4.35 4.08 3ig4A1 LEU 17 HB2 -0.18 0.10 0.06 -0.04 1.64 1.58 3ig4A1 LEU 17 HB3 -0.33 0.04 -0.04 -0.04 1.64 1.28 3ig4A1 LEU 17 HG -0.21 0.14 -0.10 -0.04 1.64 1.43 3ig4A1 LEU 17 HD13 -0.16 -0.03 -0.16 -0.04 0.93 0.53 3ig4A1 LEU 17 HD23 -0.72 -0.03 -0.13 -0.04 0.89 -0.03 3ig4A1 PRO 18 HA -0.03 0.02 0.49 -0.51 4.44 4.41 3ig4A1 PRO 18 HB2 0.04 0.16 -0.02 -0.04 2.28 2.41 3ig4A1 PRO 18 HB3 0.04 -0.04 0.09 -0.04 2.02 2.07 3ig4A1 PRO 18 HG2 -0.12 0.04 -0.07 -0.04 2.03 1.84 3ig4A1 PRO 18 HG3 -0.01 -0.03 0.00 -0.04 2.03 1.96 3ig4A1 PRO 18 HD2 -0.47 0.03 0.17 -0.04 3.68 3.37 3ig4A1 PRO 18 HD3 -0.11 0.14 0.15 -0.04 3.65 3.79 3ig4A1 ASP 19 H -0.00 0.01 0.13 -0.55 8.40 7.98 3ig4A1 ASP 19 HA -0.07 0.17 0.50 -0.75 4.63 4.48 3ig4A1 ASP 19 HB2 -0.00 0.01 0.12 -0.04 2.71 2.80 3ig4A1 ASP 19 HB3 0.03 -0.04 0.03 -0.04 2.70 2.68 3ig4A1 GLU 20 H -0.06 0.17 0.28 -0.55 8.60 8.44 3ig4A1 GLU 20 HA 0.12 -0.02 0.52 -0.75 4.29 4.16 3ig4A1 GLU 20 HB2 0.15 0.14 0.23 -0.04 2.09 2.57 3ig4A1 GLU 20 HB3 0.28 -0.02 0.24 -0.04 1.99 2.45 3ig4A1 GLU 20 HG2 0.10 -0.08 -0.29 -0.04 2.34 2.03 3ig4A1 GLU 20 HG3 0.12 0.01 -0.00 -0.04 2.34 2.42 3ig4A1 SER 21 H -0.46 0.39 0.15 -0.55 8.46 8.00 3ig4A1 SER 21 HA 0.02 0.13 0.88 -0.75 4.49 4.77 3ig4A1 SER 21 HB2 0.07 -0.05 -0.04 -0.04 3.95 3.89 3ig4A1 SER 21 HB3 -0.04 0.04 -0.28 -0.04 3.93 3.61 3ig4A1 ILE 22 H 0.05 0.61 0.41 -0.55 8.25 8.77 3ig4A1 ILE 22 HA -0.12 0.37 1.10 -0.75 4.18 4.77 3ig4A1 ILE 22 HB -0.06 -0.07 -0.06 -0.04 1.89 1.66 3ig4A1 ILE 22 HG12 0.00 0.05 -0.24 -0.04 1.49 1.26 3ig4A1 ILE 22 HG13 -0.06 0.07 -0.12 -0.04 1.21 1.06 3ig4A1 ILE 22 HG23 0.00 -0.01 -0.03 -0.04 0.93 0.86 3ig4A1 ILE 22 HD13 -0.08 -0.03 -0.14 -0.04 0.88 0.58 3ig4A1 THR 23 H -0.03 0.68 0.33 -0.55 8.28 8.70 3ig4A1 THR 23 HA 0.15 0.17 1.11 -0.75 4.39 5.07 3ig4A1 THR 23 HB 0.03 0.09 0.08 -0.04 4.32 4.48 3ig4A1 THR 23 HG23 0.12 -0.04 -0.26 -0.04 1.22 1.00 3ig4A1 ILE 24 H 0.09 0.48 0.30 -0.55 8.25 8.58 3ig4A1 ILE 24 HA -0.06 0.44 1.28 -0.75 4.18 5.08 3ig4A1 ILE 24 HB -0.06 -0.08 0.09 -0.04 1.89 1.81 3ig4A1 ILE 24 HG12 0.04 0.12 -0.22 -0.04 1.49 1.39 3ig4A1 ILE 24 HG13 0.09 -0.08 -0.58 -0.04 1.21 0.61 3ig4A1 ILE 24 HG23 -0.55 -0.02 -0.14 -0.04 0.93 0.18 3ig4A1 ILE 24 HD13 0.32 -0.02 -0.15 -0.04 0.88 0.99 3ig4A1 LEU 25 H 0.03 0.60 0.24 -0.55 8.37 8.70 3ig4A1 LEU 25 HA -0.03 0.08 1.05 -0.75 4.35 4.70 3ig4A1 LEU 25 HB2 0.34 0.02 0.04 -0.04 1.64 2.00 3ig4A1 LEU 25 HB3 0.33 -0.05 -0.05 -0.04 1.64 1.82 3ig4A1 LEU 25 HG 0.23 0.06 -0.35 -0.04 1.64 1.54 3ig4A1 LEU 25 HD13 -0.01 0.01 -0.19 -0.04 0.93 0.69 3ig4A1 LEU 25 HD23 0.13 0.02 -0.17 -0.04 0.89 0.82 3ig4A1 PHE 26 H 0.14 0.14 0.18 -0.55 8.34 8.25 3ig4A1 PHE 26 HA -0.15 0.27 1.13 -0.75 4.62 5.12 3ig4A1 PHE 26 HB2 -0.10 -0.05 0.14 -0.04 3.15 3.09 3ig4A1 PHE 26 HB3 -0.17 -0.06 0.05 -0.04 3.06 2.84 3ig4A1 PHE 26 HD2 -0.19 -0.01 -0.01 -0.04 7.28 7.02 3ig4A1 PHE 26 HE2 -0.46 0.03 -0.07 -0.04 7.38 6.84 3ig4A1 PHE 26 HZ -1.83 0.06 -0.10 -0.04 7.32 5.41 3ig4A1 ALA 27 H -0.56 0.69 0.29 -0.55 8.40 8.27 3ig4A1 ALA 27 HA -1.05 0.02 0.55 -0.75 4.34 3.11 3ig4A1 ALA 27 HB3 -0.62 0.01 0.15 -0.04 1.41 0.91 3ig4A1 GLY 28 H -0.08 0.02 -0.16 -0.55 8.43 7.66 3ig4A1 GLY 28 HA2 -0.03 -0.04 0.30 -0.51 4.01 3.74 3ig4A1 GLY 28 HA3 0.05 0.18 0.45 -0.51 4.01 4.18 3ig4A1 GLN 29 H 0.04 0.16 0.17 -0.55 8.47 8.30 3ig4A1 GLN 29 HA -0.09 0.17 0.73 -0.75 4.36 4.41 3ig4A1 GLN 29 HB2 -0.11 0.11 0.09 -0.04 2.15 2.19 3ig4A1 GLN 29 HB3 -0.13 0.01 0.01 -0.04 2.02 1.87 3ig4A1 GLN 29 HG2 -0.02 -0.00 -0.04 -0.04 2.40 2.30 3ig4A1 GLN 29 HG3 -0.07 0.06 -0.05 -0.04 2.39 2.30 3ig4A1 GLN 29 HE21 -0.09 -0.02 -0.11 -0.04 6.97 6.71 3ig4A1 GLN 29 HE22 -0.10 0.10 -0.21 -0.04 7.69 7.44 3ig4A1 ALA 30 H 0.01 0.11 0.10 -0.55 8.40 8.07 3ig4A1 ALA 30 HA 0.24 0.10 0.50 -0.75 4.34 4.42 3ig4A1 ALA 30 HB3 0.18 0.03 -0.02 -0.04 1.41 1.56 3ig4A1 PRO 31 HA 0.19 0.01 0.53 -0.51 4.44 4.66 3ig4A1 PRO 31 HB2 0.21 0.16 0.01 -0.04 2.28 2.61 3ig4A1 PRO 31 HB3 0.10 -0.04 0.13 -0.04 2.02 2.18 3ig4A1 PRO 31 HG2 0.10 0.03 0.10 -0.04 2.03 2.21 3ig4A1 PRO 31 HG3 -0.01 0.01 0.11 -0.04 2.03 2.09 3ig4A1 PRO 31 HD2 0.14 0.12 0.18 -0.04 3.68 4.08 3ig4A1 PRO 31 HD3 0.08 0.19 0.27 -0.04 3.65 4.15 3ig4A1 HIS 32 H 0.31 0.04 0.11 -0.55 8.41 8.32 3ig4A1 HIS 32 HA -0.11 0.23 0.37 -0.75 4.63 4.36 3ig4A1 HIS 32 HB2 0.01 -0.01 0.07 -0.04 3.26 3.29 3ig4A1 HIS 32 HB3 0.05 -0.10 0.10 -0.04 3.20 3.20 3ig4A1 HIS 32 HD2 -0.18 -0.03 -0.04 -0.04 6.97 6.68 3ig4A1 HIS 32 HE1 -0.05 -0.16 -0.08 -0.04 7.75 7.41 3ig4A1 SER 34 HA -0.14 -0.09 0.23 -0.75 4.49 3.73 3ig4A1 SER 34 HB2 -0.14 0.01 0.08 -0.04 3.95 3.86 3ig4A1 SER 34 HB3 -0.17 -0.02 0.02 -0.04 3.93 3.73 3ig4A1 ALA 35 H 0.02 0.05 0.09 -0.55 8.40 8.01 3ig4A1 ALA 35 HA 0.03 0.00 0.34 -0.75 4.34 3.96 3ig4A1 ALA 35 HB3 -0.04 0.03 0.11 -0.04 1.41 1.47 3ig4A1 ASP 36 H -0.06 0.07 0.21 -0.55 8.40 8.08 3ig4A1 ASP 36 HA -0.07 0.13 0.61 -0.75 4.63 4.55 3ig4A1 ASP 36 HB2 -0.03 0.00 0.16 -0.04 2.71 2.80 3ig4A1 ASP 36 HB3 -0.02 -0.05 0.09 -0.04 2.70 2.67 3ig4A1 ALA 37 H -0.22 0.59 -0.17 -0.55 8.40 8.05 3ig4A1 ALA 37 HA -0.10 0.03 0.67 -0.75 4.34 4.18 3ig4A1 ALA 37 HB3 -0.15 0.03 0.06 -0.04 1.41 1.31 3ig4A1 HIS 38 H 0.02 0.13 0.18 -0.55 8.41 8.19 3ig4A1 HIS 38 HA -0.11 0.10 0.91 -0.75 4.63 4.78 3ig4A1 HIS 38 HB2 0.02 -0.07 0.02 -0.04 3.26 3.19 3ig4A1 HIS 38 HB3 0.06 0.08 -0.12 -0.04 3.20 3.18 3ig4A1 HIS 38 HD2 -0.01 0.00 -0.07 -0.04 6.97 6.85 3ig4A1 HIS 38 HE1 0.07 -0.09 -0.08 -0.04 7.75 7.61 3ig4A1 TYR 39 H 0.24 0.55 0.15 -0.55 8.29 8.67 3ig4A1 TYR 39 HA 0.04 0.03 0.53 -0.75 4.56 4.41 3ig4A1 TYR 39 HB2 0.06 0.02 0.08 -0.04 3.06 3.18 3ig4A1 TYR 39 HB3 0.04 0.05 0.07 -0.04 2.98 3.09 3ig4A1 TYR 39 HD2 0.03 0.05 -0.02 -0.04 7.15 7.17 3ig4A1 TYR 39 HE2 0.01 0.02 -0.03 -0.04 6.85 6.81 3ig4A1 LYS 40 H 0.22 0.07 0.12 -0.55 8.42 8.27 3ig4A1 LYS 40 HA 0.16 0.05 0.57 -0.75 4.32 4.35 3ig4A1 LYS 40 HB2 0.14 -0.05 0.12 -0.04 1.87 2.04 3ig4A1 LYS 40 HB3 0.13 0.11 -0.05 -0.04 1.79 1.94 3ig4A1 LYS 40 HG2 0.15 0.01 0.06 -0.04 1.46 1.65 3ig4A1 LYS 40 HG3 0.13 -0.01 0.05 -0.04 1.46 1.58 3ig4A1 LYS 40 HD2 0.28 0.02 0.01 -0.04 1.69 1.96 3ig4A1 LYS 40 HD3 0.15 0.01 0.02 -0.04 1.68 1.83 3ig4A1 LYS 40 HE2 0.10 -0.01 0.02 -0.04 2.99 3.07 3ig4A1 LYS 40 HE3 0.14 -0.04 0.04 -0.04 2.99 3.08 3ig4A1 PHE 41 H 0.25 0.10 0.15 -0.55 8.34 8.28 3ig4A1 PHE 41 HA 0.01 0.01 0.43 -0.75 4.62 4.32 3ig4A1 PHE 41 HB2 0.01 -0.03 0.11 -0.04 3.15 3.20 3ig4A1 PHE 41 HB3 0.02 0.02 0.10 -0.04 3.06 3.17 3ig4A1 PHE 41 HD2 -0.01 0.01 -0.17 -0.04 7.28 7.06 3ig4A1 PHE 41 HE2 -0.05 0.02 -0.52 -0.04 7.38 6.79 3ig4A1 PHE 41 HZ -0.10 0.12 -0.27 -0.04 7.32 7.04 3ig4A1 VAL 42 H -0.57 0.14 0.07 -0.55 8.24 7.33 3ig4A1 VAL 42 HA -0.39 0.22 0.84 -0.75 4.13 4.05 3ig4A1 VAL 42 HB -0.27 -0.07 0.12 -0.04 2.12 1.86 3ig4A1 VAL 42 HG13 -0.22 0.01 -0.13 -0.04 0.97 0.58 3ig4A1 VAL 42 HG23 -0.18 0.04 -0.14 -0.04 0.95 0.62 3ig4A1 PRO 43 HA -0.47 0.04 0.30 -0.51 4.44 3.79 3ig4A1 PRO 43 HB2 -0.62 -0.02 -0.10 -0.04 2.28 1.50 3ig4A1 PRO 43 HB3 -0.25 0.04 -0.03 -0.04 2.02 1.74 3ig4A1 PRO 43 HG2 -1.28 -0.00 0.01 -0.04 2.03 0.72 3ig4A1 PRO 43 HG3 -0.24 0.23 0.02 -0.04 2.03 2.00 3ig4A1 PRO 43 HD2 -0.42 0.08 0.13 -0.04 3.68 3.43 3ig4A1 PRO 43 HD3 -0.33 0.27 0.03 -0.04 3.65 3.58 3ig4A1 ASN 44 H -0.07 0.22 0.18 -0.55 8.53 8.32 3ig4A1 ASN 44 HA -0.05 0.09 0.63 -0.75 4.76 4.68 3ig4A1 ASN 44 HB2 0.00 0.13 0.16 -0.04 2.88 3.14 3ig4A1 ASN 44 HB3 0.09 0.04 0.23 -0.04 2.79 3.10 3ig4A1 ASN 44 HD21 0.10 -0.05 0.05 -0.04 7.03 7.09 3ig4A1 ASN 44 HD22 0.04 0.11 0.08 -0.04 7.74 7.92 3ig4A1 ARG 45 H 0.01 0.20 0.16 -0.55 8.46 8.28 3ig4A1 ARG 45 HA 0.08 0.13 0.10 -0.75 4.34 3.89 3ig4A1 ARG 45 HB2 0.01 -0.08 0.06 -0.04 1.90 1.86 3ig4A1 ARG 45 HB3 0.01 0.00 -0.04 -0.04 1.80 1.74 3ig4A1 ARG 45 HG2 -0.05 0.01 0.04 -0.04 1.67 1.64 3ig4A1 ARG 45 HG3 -0.03 0.06 -0.20 -0.04 1.67 1.45 3ig4A1 ARG 45 HD2 -0.03 -0.11 -0.05 -0.04 3.22 2.98 3ig4A1 ARG 45 HD3 -0.15 0.14 -0.16 -0.04 3.22 3.01 3ig4A1 ASN 46 H 0.08 0.06 -0.13 -0.55 8.53 8.00 3ig4A1 ASN 46 HA 0.02 0.15 0.40 -0.75 4.76 4.57 3ig4A1 ASN 46 HB2 0.11 -0.07 0.04 -0.04 2.88 2.92 3ig4A1 ASN 46 HB3 0.05 0.06 -0.09 -0.04 2.79 2.78 3ig4A1 ASN 46 HD21 -0.35 0.03 -0.01 -0.04 7.03 6.66 3ig4A1 ASN 46 HD22 0.19 -0.05 -0.03 -0.04 7.74 7.81 3ig4A1 PHE 47 H 0.23 0.04 -0.37 -0.55 8.34 7.69 3ig4A1 PHE 47 HA -0.03 0.03 0.22 -0.75 4.62 4.08 3ig4A1 PHE 47 HB2 0.04 -0.04 -0.07 -0.04 3.15 3.05 3ig4A1 PHE 47 HB3 0.04 0.16 0.09 -0.04 3.06 3.31 3ig4A1 PHE 47 HD2 0.03 0.01 -0.29 -0.04 7.28 7.00 3ig4A1 PHE 47 HE2 0.05 0.04 -0.14 -0.04 7.38 7.30 3ig4A1 PHE 47 HZ 0.04 -0.03 -0.24 -0.04 7.32 7.04 3ig4A1 TYR 48 H 0.27 0.75 -0.13 -0.55 8.29 8.63 3ig4A1 TYR 48 HA -0.13 -0.00 0.33 -0.75 4.56 4.01 3ig4A1 TYR 48 HB2 -0.05 0.01 -0.14 -0.04 3.06 2.84 3ig4A1 TYR 48 HB3 0.00 0.04 -0.04 -0.04 2.98 2.94 3ig4A1 TYR 48 HD2 0.03 0.02 -0.37 -0.04 7.15 6.79 3ig4A1 TYR 48 HE2 0.24 0.06 -0.19 -0.04 6.85 6.92 3ig4A1 TYR 49 H 0.24 0.66 -0.15 -0.55 8.29 8.48 3ig4A1 TYR 49 HA 0.14 0.01 0.28 -0.75 4.56 4.23 3ig4A1 TYR 49 HB2 0.08 0.01 0.10 -0.04 3.06 3.21 3ig4A1 TYR 49 HB3 -0.03 0.08 0.07 -0.04 2.98 3.07 3ig4A1 TYR 49 HD2 0.06 -0.01 -0.12 -0.04 7.15 7.04 3ig4A1 TYR 49 HE2 0.06 0.01 -0.03 -0.04 6.85 6.84 3ig4A1 VAL 50 H -0.18 0.22 -0.67 -0.55 8.24 7.06 3ig4A1 VAL 50 HA -0.25 0.13 0.60 -0.75 4.13 3.85 3ig4A1 VAL 50 HB -0.45 0.05 0.05 -0.04 2.12 1.73 3ig4A1 VAL 50 HG13 -0.72 -0.02 -0.15 -0.04 0.97 0.04 3ig4A1 VAL 50 HG23 -0.04 0.01 -0.11 -0.04 0.95 0.77 3ig4A1 THR 51 H -0.61 0.26 0.03 -0.55 8.28 7.42 3ig4A1 THR 51 HA -0.52 0.25 0.88 -0.75 4.39 4.25 3ig4A1 THR 51 HB -0.44 -0.06 0.00 -0.04 4.32 3.79 3ig4A1 THR 51 HG23 -1.04 0.01 -0.11 -0.04 1.22 0.04 3ig4A1 GLY 52 H -0.89 0.67 0.22 -0.55 8.43 7.88 3ig4A1 GLY 52 HA2 -1.93 0.05 0.26 -0.51 4.01 1.88 3ig4A1 GLY 52 HA3 -1.98 0.15 0.43 -0.51 4.01 2.10 3ig4A1 ILE 53 H -0.34 0.05 -0.35 -0.55 8.25 7.05 3ig4A1 ILE 53 HA 0.04 0.14 0.74 -0.75 4.18 4.35 3ig4A1 ILE 53 HB 0.17 -0.01 0.00 -0.04 1.89 2.01 3ig4A1 ILE 53 HG12 -0.16 0.19 -0.32 -0.04 1.49 1.16 3ig4A1 ILE 53 HG13 0.01 -0.02 -0.11 -0.04 1.21 1.05 3ig4A1 ILE 53 HG23 0.19 -0.06 -0.17 -0.04 0.93 0.85 3ig4A1 ILE 53 HD13 0.01 0.01 -0.06 -0.04 0.88 0.80 3ig4A1 ASP 54 H 0.19 0.17 0.10 -0.55 8.40 8.30 3ig4A1 ASP 54 HA 0.16 0.19 0.61 -0.75 4.63 4.83 3ig4A1 ASP 54 HB2 -0.05 0.02 0.11 -0.04 2.71 2.75 3ig4A1 ASP 54 HB3 0.15 0.04 -0.08 -0.04 2.70 2.77 3ig4A1 GLU 55 H 0.20 0.10 -0.33 -0.55 8.60 8.02 3ig4A1 GLU 55 HA 0.07 0.25 0.68 -0.75 4.29 4.53 3ig4A1 GLU 55 HB2 0.07 -0.10 0.01 -0.04 2.09 2.04 3ig4A1 GLU 55 HB3 -0.02 0.13 0.01 -0.04 1.99 2.06 3ig4A1 GLU 55 HG2 0.06 0.14 -0.08 -0.04 2.34 2.42 3ig4A1 GLU 55 HG3 0.09 -0.08 -0.10 -0.04 2.34 2.20 3ig4A1 PRO 56 HA -0.41 0.17 0.42 -0.51 4.44 4.11 3ig4A1 PRO 56 HB2 -0.42 -0.00 0.02 -0.04 2.28 1.84 3ig4A1 PRO 56 HB3 -1.32 -0.02 0.13 -0.04 2.02 0.78 3ig4A1 PRO 56 HG2 -0.31 -0.01 0.09 -0.04 2.03 1.77 3ig4A1 PRO 56 HG3 -0.54 0.05 0.09 -0.04 2.03 1.59 3ig4A1 PRO 56 HD2 -0.24 0.07 0.24 -0.04 3.68 3.70 3ig4A1 PRO 56 HD3 -0.93 0.20 0.15 -0.04 3.65 3.02 3ig4A1 ASN 57 H -0.16 0.26 0.13 -0.55 8.53 8.21 3ig4A1 ASN 57 HA -0.11 -0.07 0.24 -0.75 4.76 4.07 3ig4A1 ASN 57 HB2 -0.12 0.27 -0.59 -0.04 2.88 2.41 3ig4A1 ASN 57 HB3 -0.07 -0.06 0.04 -0.04 2.79 2.65 3ig4A1 ASN 57 HD21 -0.16 -0.01 -0.05 -0.04 7.03 6.76 3ig4A1 ASN 57 HD22 -0.19 0.05 -0.18 -0.04 7.74 7.38 3ig4A1 VAL 58 H -0.11 0.12 -0.38 -0.55 8.24 7.32 3ig4A1 VAL 58 HA 0.05 0.27 0.89 -0.75 4.13 4.59 3ig4A1 VAL 58 HB 0.11 -0.01 -0.01 -0.04 2.12 2.17 3ig4A1 VAL 58 HG13 0.26 0.04 -0.13 -0.04 0.97 1.10 3ig4A1 VAL 58 HG23 0.07 0.02 -0.07 -0.04 0.95 0.93 3ig4A1 ILE 59 H 0.18 0.51 0.36 -0.55 8.25 8.75 3ig4A1 ILE 59 HA 0.04 0.17 1.11 -0.75 4.18 4.74 3ig4A1 ILE 59 HB -0.01 -0.07 0.13 -0.04 1.89 1.89 3ig4A1 ILE 59 HG12 -0.06 0.01 -0.28 -0.04 1.49 1.11 3ig4A1 ILE 59 HG13 -0.14 0.06 -0.22 -0.04 1.21 0.87 3ig4A1 ILE 59 HG23 -0.39 0.03 -0.05 -0.04 0.93 0.47 3ig4A1 ILE 59 HD13 -0.70 -0.01 -0.07 -0.04 0.88 0.06 3ig4A1 PHE 60 H 0.28 0.59 0.27 -0.55 8.34 8.94 3ig4A1 PHE 60 HA 0.14 0.37 0.97 -0.75 4.62 5.35 3ig4A1 PHE 60 HB2 0.01 -0.02 -0.04 -0.04 3.15 3.07 3ig4A1 PHE 60 HB3 0.10 -0.08 0.12 -0.04 3.06 3.17 3ig4A1 PHE 60 HD2 -0.05 -0.09 -0.07 -0.04 7.28 7.03 3ig4A1 PHE 60 HE2 -0.07 -0.02 -0.10 -0.04 7.38 7.15 3ig4A1 PHE 60 HZ -0.07 0.00 -0.03 -0.04 7.32 7.18 3ig4A1 LEU 62 HA -0.26 -0.01 0.40 -0.75 4.35 3.73 3ig4A1 LEU 62 HB2 -0.11 -0.06 0.03 -0.04 1.64 1.46 3ig4A1 LEU 62 HB3 -0.04 -0.06 0.12 -0.04 1.64 1.62 3ig4A1 LEU 62 HG -0.08 0.07 -0.31 -0.04 1.64 1.28 3ig4A1 LEU 62 HD13 0.10 -0.01 -0.10 -0.04 0.93 0.88 3ig4A1 LEU 62 HD23 -0.04 -0.01 -0.16 -0.04 0.89 0.64 3ig4A1 LYS 63 H -0.12 0.61 0.34 -0.55 8.42 8.69 3ig4A1 LYS 63 HA -0.20 0.20 0.97 -0.75 4.32 4.53 3ig4A1 LYS 63 HB2 -0.01 -0.10 0.23 -0.04 1.87 1.94 3ig4A1 LYS 63 HB3 0.07 -0.03 -0.03 -0.04 1.79 1.76 3ig4A1 LYS 63 HG2 0.02 0.04 -0.02 -0.04 1.46 1.46 3ig4A1 LYS 63 HG3 -0.02 0.04 0.01 -0.04 1.46 1.44 3ig4A1 LYS 63 HD2 0.13 -0.05 -0.03 -0.04 1.69 1.69 3ig4A1 LYS 63 HD3 0.17 0.02 -0.05 -0.04 1.68 1.78 3ig4A1 LYS 63 HE2 0.01 0.02 -0.06 -0.04 2.99 2.93 3ig4A1 LYS 63 HE3 0.01 -0.02 -0.05 -0.04 2.99 2.89 3ig4A1 LYS 64 H -0.63 0.59 0.26 -0.55 8.42 8.08 3ig4A1 LYS 64 HA -0.17 0.24 1.00 -0.75 4.32 4.63 3ig4A1 LYS 64 HB2 -0.20 0.03 -0.10 -0.04 1.87 1.55 3ig4A1 LYS 64 HB3 -0.27 -0.10 0.26 -0.04 1.79 1.64 3ig4A1 LYS 64 HG2 -0.11 -0.01 -0.06 -0.04 1.46 1.24 3ig4A1 LYS 64 HG3 -0.11 -0.02 -0.02 -0.04 1.46 1.27 3ig4A1 LYS 64 HD2 -0.14 -0.02 -0.11 -0.04 1.69 1.38 3ig4A1 LYS 64 HD3 -0.12 -0.01 -0.23 -0.04 1.68 1.28 3ig4A1 LYS 64 HE2 -0.07 -0.13 -0.09 -0.04 2.99 2.65 3ig4A1 LYS 64 HE3 -0.09 0.52 0.06 -0.04 2.99 3.44 3ig4A1 PHE 65 H -0.01 0.40 -0.01 -0.55 8.34 8.17 3ig4A1 PHE 65 HA -0.01 0.03 1.04 -0.75 4.62 4.93 3ig4A1 PHE 65 HB2 -0.03 -0.04 -0.01 -0.04 3.15 3.03 3ig4A1 PHE 65 HB3 -0.02 0.00 -0.03 -0.04 3.06 2.97 3ig4A1 PHE 65 HD2 -0.03 -0.05 -0.00 -0.04 7.28 7.16 3ig4A1 PHE 65 HE2 -0.04 0.03 -0.10 -0.04 7.38 7.23 3ig4A1 PHE 65 HZ -0.06 -0.01 -0.18 -0.04 7.32 7.03 3ig4A1 GLY 66 H 0.15 0.13 0.18 -0.55 8.43 8.34 3ig4A1 GLY 66 HA2 0.05 0.05 0.37 -0.51 4.01 3.98 3ig4A1 GLY 66 HA3 0.06 -0.02 0.56 -0.51 4.01 4.09 3ig4A1 ASN 67 H 0.02 0.07 0.26 -0.55 8.53 8.34 3ig4A1 ASN 67 HA 0.00 0.20 0.79 -0.75 4.76 5.00 3ig4A1 ASN 67 HB2 0.01 -0.03 0.06 -0.04 2.88 2.88 3ig4A1 ASN 67 HB3 -0.00 0.02 0.14 -0.04 2.79 2.91 3ig4A1 ASN 67 HD21 0.00 -0.01 0.01 -0.04 7.03 7.00 3ig4A1 ASN 67 HD22 0.00 0.00 0.03 -0.04 7.74 7.73 3ig4A1 SER 68 H 0.04 0.30 0.11 -0.55 8.46 8.36 3ig4A1 SER 68 HA 0.00 0.07 0.50 -0.75 4.49 4.31 3ig4A1 SER 68 HB2 0.07 0.17 0.15 -0.04 3.95 4.29 3ig4A1 SER 68 HB3 0.03 -0.05 0.03 -0.04 3.93 3.90 3ig4A1 VAL 69 H -0.01 0.15 0.10 -0.55 8.24 7.94 3ig4A1 VAL 69 HA -0.05 0.36 0.79 -0.75 4.13 4.48 3ig4A1 VAL 69 HB -0.03 -0.08 0.11 -0.04 2.12 2.09 3ig4A1 VAL 69 HG13 -0.04 -0.01 -0.15 -0.04 0.97 0.73 3ig4A1 VAL 69 HG23 -0.04 0.03 -0.22 -0.04 0.95 0.68 3ig4A1 GLU 70 H -0.04 0.55 0.25 -0.55 8.60 8.82 3ig4A1 GLU 70 HA -0.03 0.16 1.13 -0.75 4.29 4.80 3ig4A1 GLU 70 HB2 -0.01 -0.02 0.15 -0.04 2.09 2.17 3ig4A1 GLU 70 HB3 -0.03 0.03 -0.03 -0.04 1.99 1.92 3ig4A1 GLU 70 HG2 -0.01 0.03 -0.02 -0.04 2.34 2.29 3ig4A1 GLU 70 HG3 0.00 -0.09 -0.25 -0.04 2.34 1.96 3ig4A1 GLU 71 H -0.04 0.17 0.23 -0.55 8.60 8.41 3ig4A1 GLU 71 HA -0.21 0.19 0.95 -0.75 4.29 4.46 3ig4A1 GLU 71 HB2 0.01 -0.07 0.15 -0.04 2.09 2.14 3ig4A1 GLU 71 HB3 0.10 0.04 0.03 -0.04 1.99 2.12 3ig4A1 GLU 71 HG2 0.12 0.07 -0.02 -0.04 2.34 2.47 3ig4A1 GLU 71 HG3 -0.01 -0.06 -0.24 -0.04 2.34 1.99 3ig4A1 THR 72 H -0.34 0.29 0.28 -0.55 8.28 7.97 3ig4A1 THR 72 HA -0.15 0.29 1.01 -0.75 4.39 4.78 3ig4A1 THR 72 HB -0.15 -0.01 -0.04 -0.04 4.32 4.08 3ig4A1 THR 72 HG23 -0.49 -0.01 -0.14 -0.04 1.22 0.55 3ig4A1 LEU 73 H -0.18 0.61 0.38 -0.55 8.37 8.63 3ig4A1 LEU 73 HA 0.09 0.32 1.10 -0.75 4.35 5.11 3ig4A1 LEU 73 HB2 -0.05 0.03 0.09 -0.04 1.64 1.67 3ig4A1 LEU 73 HB3 0.01 -0.05 -0.12 -0.04 1.64 1.44 3ig4A1 LEU 73 HG 0.11 0.00 -0.17 -0.04 1.64 1.55 3ig4A1 LEU 73 HD13 0.01 0.00 -0.12 -0.04 0.93 0.78 3ig4A1 LEU 73 HD23 0.22 0.02 -0.04 -0.04 0.89 1.04 3ig4A1 PHE 74 H 0.33 0.70 0.30 -0.55 8.34 9.12 3ig4A1 PHE 74 HA -0.01 0.21 0.68 -0.75 4.62 4.75 3ig4A1 PHE 74 HB2 0.03 -0.06 0.18 -0.04 3.15 3.25 3ig4A1 PHE 74 HB3 0.08 -0.07 -0.22 -0.04 3.06 2.81 3ig4A1 PHE 74 HD2 0.13 0.14 -0.25 -0.04 7.28 7.26 3ig4A1 PHE 74 HE2 0.11 0.06 -0.22 -0.04 7.38 7.29 3ig4A1 PHE 74 HZ 0.07 0.03 -0.12 -0.04 7.32 7.26 3ig4A1 ILE 75 H -0.05 0.71 0.30 -0.55 8.25 8.66 3ig4A1 ILE 75 HA 0.08 0.22 1.02 -0.75 4.18 4.74 3ig4A1 ILE 75 HB 0.06 -0.01 0.09 -0.04 1.89 1.99 3ig4A1 ILE 75 HG12 -0.30 0.15 -0.08 -0.04 1.49 1.21 3ig4A1 ILE 75 HG13 0.09 0.03 -0.39 -0.04 1.21 0.90 3ig4A1 ILE 75 HG23 0.01 -0.00 -0.20 -0.04 0.93 0.69 3ig4A1 ILE 75 HD13 -0.02 0.02 -0.24 -0.04 0.88 0.60 3ig4A1 GLU 76 H 0.09 0.18 0.12 -0.55 8.60 8.43 3ig4A1 GLU 76 HA 0.12 -0.03 0.66 -0.75 4.29 4.30 3ig4A1 GLU 76 HB2 0.05 -0.01 0.09 -0.04 2.09 2.18 3ig4A1 GLU 76 HB3 0.05 0.16 0.02 -0.04 1.99 2.17 3ig4A1 GLU 76 HG2 0.02 0.02 -0.02 -0.04 2.34 2.32 3ig4A1 GLU 76 HG3 -0.01 0.04 0.01 -0.04 2.34 2.34 3ig4A1 LYS 77 H 0.09 0.04 0.19 -0.55 8.42 8.18 3ig4A1 LYS 77 HA -0.03 0.08 0.64 -0.75 4.32 4.26 3ig4A1 LYS 77 HB2 -0.05 -0.04 0.13 -0.04 1.87 1.87 3ig4A1 LYS 77 HB3 -0.12 0.13 0.04 -0.04 1.79 1.79 3ig4A1 LYS 77 HG2 -0.78 0.03 0.08 -0.04 1.46 0.74 3ig4A1 LYS 77 HG3 -0.35 -0.09 0.04 -0.04 1.46 1.02 3ig4A1 LYS 77 HD2 -0.10 -0.03 0.04 -0.04 1.69 1.56 3ig4A1 LYS 77 HD3 -0.18 0.06 0.04 -0.04 1.68 1.56 3ig4A1 LYS 77 HE2 -0.42 0.03 0.02 -0.04 2.99 2.58 3ig4A1 LYS 77 HE3 -0.18 -0.09 0.01 -0.04 2.99 2.69 3ig4A1 SER 78 H -0.03 0.07 0.15 -0.55 8.46 8.10 3ig4A1 SER 78 HA 0.03 0.11 0.54 -0.75 4.49 4.41 3ig4A1 SER 78 HB2 0.02 0.03 -0.00 -0.04 3.95 3.96 3ig4A1 SER 78 HB3 0.03 0.03 0.09 -0.04 3.93 4.04 3ig4A1 ASP 79 H 0.02 0.22 0.12 -0.55 8.40 8.21 3ig4A1 ASP 79 HA 0.01 0.18 0.89 -0.75 4.63 4.95 3ig4A1 ASP 79 HB2 0.00 0.05 -0.07 -0.04 2.71 2.65 3ig4A1 ASP 79 HB3 0.01 0.04 0.19 -0.04 2.70 2.90 3ig4A1 PRO 80 HA 0.04 0.07 0.23 -0.51 4.44 4.27 3ig4A1 PRO 80 HB2 0.03 0.02 -0.02 -0.04 2.28 2.27 3ig4A1 PRO 80 HB3 0.02 0.04 0.05 -0.04 2.02 2.10 3ig4A1 PRO 80 HG2 0.01 0.04 0.05 -0.04 2.03 2.09 3ig4A1 PRO 80 HG3 0.01 0.03 0.00 -0.04 2.03 2.03 3ig4A1 PRO 80 HD2 0.01 0.08 0.18 -0.04 3.68 3.91 3ig4A1 PRO 80 HD3 0.01 0.30 0.09 -0.04 3.65 4.01 3ig4A1 VAL 81 H 0.04 0.03 -0.40 -0.55 8.24 7.36 3ig4A1 VAL 81 HA 0.12 0.13 0.46 -0.75 4.13 4.09 3ig4A1 VAL 81 HB 0.03 0.02 0.06 -0.04 2.12 2.19 3ig4A1 VAL 81 HG13 0.09 0.01 0.07 -0.04 0.97 1.10 3ig4A1 VAL 81 HG23 0.04 -0.00 -0.01 -0.04 0.95 0.94 3ig4A1 GLU 83 HA 0.08 0.08 0.21 -0.75 4.29 3.91 3ig4A1 GLU 83 HB2 0.05 0.12 -0.13 -0.04 2.09 2.10 3ig4A1 GLU 83 HB3 0.04 -0.05 -0.09 -0.04 1.99 1.85 3ig4A1 GLU 83 HG2 0.04 0.02 -0.14 -0.04 2.34 2.22 3ig4A1 GLU 83 HG3 0.05 0.16 -0.02 -0.04 2.34 2.48 3ig4A1 LYS 84 H 0.18 0.52 0.12 -0.55 8.42 8.69 3ig4A1 LYS 84 HA -0.01 0.09 0.70 -0.75 4.32 4.35 3ig4A1 LYS 84 HB2 0.14 0.16 0.18 -0.04 1.87 2.31 3ig4A1 LYS 84 HB3 -0.12 -0.06 0.15 -0.04 1.79 1.72 3ig4A1 LYS 84 HG2 0.01 -0.05 -0.02 -0.04 1.46 1.36 3ig4A1 LYS 84 HG3 0.07 0.22 -0.02 -0.04 1.46 1.69 3ig4A1 LYS 84 HD2 0.07 -0.01 0.04 -0.04 1.69 1.75 3ig4A1 LYS 84 HD3 -0.01 -0.05 0.04 -0.04 1.68 1.62 3ig4A1 LYS 84 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 3ig4A1 LYS 84 HE3 0.03 0.04 -0.02 -0.04 2.99 3.00 3ig4A1 TRP 85 H 0.32 0.04 0.00 -0.55 7.97 7.79 3ig4A1 TRP 85 HA 0.00 0.22 0.89 -0.75 4.62 4.98 3ig4A1 TRP 85 HB2 0.00 -0.03 0.04 -0.04 3.23 3.20 3ig4A1 TRP 85 HB3 0.01 0.01 -0.03 -0.04 3.23 3.18 3ig4A1 TRP 85 HD1 0.00 0.28 0.05 -0.04 7.22 7.51 3ig4A1 TRP 85 HE1 0.00 -0.03 0.00 -0.04 10.20 10.13 3ig4A1 TRP 85 HE3 0.01 0.02 0.01 -0.04 7.59 7.58 3ig4A1 TRP 85 HZ2 0.00 -0.03 -0.00 -0.04 7.44 7.37 3ig4A1 TRP 85 HZ3 0.00 -0.01 0.00 -0.04 7.13 7.09 3ig4A1 TRP 85 HH2 0.00 -0.03 0.00 -0.04 7.19 7.13 3ig4A1 VAL 86 H 0.19 0.00 0.04 -0.55 8.24 7.93 3ig4A1 VAL 86 HA 0.10 0.25 0.92 -0.75 4.13 4.65 3ig4A1 VAL 86 HB 0.08 0.01 0.01 -0.04 2.12 2.18 3ig4A1 VAL 86 HG13 0.04 0.00 -0.02 -0.04 0.97 0.96 3ig4A1 VAL 86 HG23 0.11 -0.01 -0.14 -0.04 0.95 0.87 3ig4A1 GLY 87 H 0.08 -0.05 -0.07 -0.55 8.43 7.85 3ig4A1 GLY 87 HA2 0.04 0.13 0.34 -0.51 4.01 4.01 3ig4A1 GLY 87 HA3 0.04 0.18 0.73 -0.51 4.01 4.45 3ig4A1 LYS 88 H 0.03 0.10 0.15 -0.55 8.42 8.14 3ig4A1 LYS 88 HA 0.04 0.03 0.56 -0.75 4.32 4.20 3ig4A1 LYS 88 HB2 0.03 -0.02 0.08 -0.04 1.87 1.92 3ig4A1 LYS 88 HB3 0.04 0.07 0.03 -0.04 1.79 1.88 3ig4A1 LYS 88 HG2 0.03 0.01 0.01 -0.04 1.46 1.46 3ig4A1 LYS 88 HG3 0.03 -0.00 0.06 -0.04 1.46 1.51 3ig4A1 LYS 88 HD2 0.03 -0.00 0.01 -0.04 1.69 1.69 3ig4A1 LYS 88 HD3 0.03 -0.03 0.01 -0.04 1.68 1.65 3ig4A1 LYS 88 HE2 0.02 -0.00 -0.01 -0.04 2.99 2.96 3ig4A1 LYS 88 HE3 0.02 0.03 -0.00 -0.04 2.99 3.00 3ig4A1 THR 89 H 0.04 0.05 0.14 -0.55 8.28 7.96 3ig4A1 THR 89 HA 0.03 0.19 0.78 -0.75 4.39 4.63 3ig4A1 THR 89 HB 0.02 -0.05 0.12 -0.04 4.32 4.37 3ig4A1 THR 89 HG23 0.01 0.02 -0.02 -0.04 1.22 1.19 3ig4A1 VAL 90 H 0.04 0.10 0.09 -0.55 8.24 7.92 3ig4A1 VAL 90 HA 0.04 0.01 0.29 -0.75 4.13 3.72 3ig4A1 VAL 90 HB 0.05 0.03 0.10 -0.04 2.12 2.26 3ig4A1 VAL 90 HG13 0.05 0.00 -0.06 -0.04 0.97 0.92 3ig4A1 VAL 90 HG23 0.04 0.04 -0.06 -0.04 0.95 0.93 3ig4A1 SER 91 H 0.04 0.02 0.18 -0.55 8.46 8.16 3ig4A1 SER 91 HA 0.08 0.28 0.73 -0.75 4.49 4.82 3ig4A1 SER 91 HB2 0.06 -0.00 0.18 -0.04 3.95 4.14 3ig4A1 SER 91 HB3 0.05 0.15 0.12 -0.04 3.93 4.21 3ig4A1 ASN 92 H 0.09 0.19 0.16 -0.55 8.53 8.43 3ig4A1 ASN 92 HA -0.05 0.14 0.40 -0.75 4.76 4.50 3ig4A1 ASN 92 HB2 0.10 0.04 0.15 -0.04 2.88 3.12 3ig4A1 ASN 92 HB3 0.06 -0.08 0.17 -0.04 2.79 2.90 3ig4A1 ASN 92 HD21 -0.12 0.20 0.16 -0.04 7.03 7.23 3ig4A1 ASN 92 HD22 -0.27 -0.05 0.03 -0.04 7.74 7.40 3ig4A1 GLU 93 H 0.03 0.06 -0.11 -0.55 8.60 8.03 3ig4A1 GLU 93 HA 0.00 0.17 0.38 -0.75 4.29 4.09 3ig4A1 GLU 93 HB2 0.02 -0.04 0.07 -0.04 2.09 2.10 3ig4A1 GLU 93 HB3 0.01 0.07 0.01 -0.04 1.99 2.04 3ig4A1 GLU 93 HG2 0.01 0.07 0.01 -0.04 2.34 2.39 3ig4A1 GLU 93 HG3 0.02 -0.06 0.05 -0.04 2.34 2.31 3ig4A1 GLU 94 H 0.02 -0.00 -0.21 -0.55 8.60 7.87 3ig4A1 GLU 94 HA 0.02 0.11 0.52 -0.75 4.29 4.19 3ig4A1 GLU 94 HB2 0.03 -0.11 0.15 -0.04 2.09 2.13 3ig4A1 GLU 94 HB3 0.03 0.09 0.03 -0.04 1.99 2.10 3ig4A1 GLU 94 HG2 0.03 0.09 0.03 -0.04 2.34 2.45 3ig4A1 GLU 94 HG3 0.03 -0.09 0.05 -0.04 2.34 2.28 3ig4A1 ALA 95 H 0.01 0.59 -0.14 -0.55 8.40 8.31 3ig4A1 ALA 95 HA 0.01 0.01 0.38 -0.75 4.34 3.98 3ig4A1 ALA 95 HB3 -0.01 0.04 -0.00 -0.04 1.41 1.40 3ig4A1 GLU 96 H -0.01 0.34 -0.24 -0.55 8.60 8.14 3ig4A1 GLU 96 HA -0.02 0.18 0.39 -0.75 4.29 4.08 3ig4A1 GLU 96 HB2 -0.02 0.06 0.11 -0.04 2.09 2.20 3ig4A1 GLU 96 HB3 -0.01 0.00 0.16 -0.04 1.99 2.10 3ig4A1 GLU 96 HG2 -0.00 -0.04 -0.26 -0.04 2.34 2.00 3ig4A1 GLU 96 HG3 -0.01 0.04 -0.16 -0.04 2.34 2.17 3ig4A1 LYS 97 H 0.01 0.38 -0.24 -0.55 8.42 8.01 3ig4A1 LYS 97 HA 0.01 0.00 0.32 -0.75 4.32 3.89 3ig4A1 LYS 97 HB2 0.02 0.15 0.24 -0.04 1.87 2.23 3ig4A1 LYS 97 HB3 0.02 0.03 0.06 -0.04 1.79 1.86 3ig4A1 LYS 97 HG2 0.02 -0.02 0.05 -0.04 1.46 1.46 3ig4A1 LYS 97 HG3 0.02 -0.05 0.02 -0.04 1.46 1.41 3ig4A1 LYS 97 HD2 0.03 -0.00 -0.04 -0.04 1.69 1.64 3ig4A1 LYS 97 HD3 0.03 0.01 0.05 -0.04 1.68 1.72 3ig4A1 LYS 97 HE2 0.02 -0.00 0.02 -0.04 2.99 2.98 3ig4A1 LYS 97 HE3 0.02 -0.02 0.01 -0.04 2.99 2.96 3ig4A1 ILE 98 H 0.01 0.51 -0.12 -0.55 8.25 8.10 3ig4A1 ILE 98 HA 0.05 -0.01 0.38 -0.75 4.18 3.85 3ig4A1 ILE 98 HB -0.02 0.03 0.07 -0.04 1.89 1.93 3ig4A1 ILE 98 HG12 0.05 -0.06 0.02 -0.04 1.49 1.45 3ig4A1 ILE 98 HG13 0.03 0.36 0.10 -0.04 1.21 1.65 3ig4A1 ILE 98 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.80 3ig4A1 ILE 98 HD13 0.05 -0.04 -0.03 -0.04 0.88 0.82 3ig4A1 SER 99 H -0.03 0.37 -0.08 -0.55 8.46 8.17 3ig4A1 SER 99 HA -0.19 0.25 0.59 -0.75 4.49 4.39 3ig4A1 SER 99 HB2 -0.14 -0.01 0.11 -0.04 3.95 3.87 3ig4A1 SER 99 HB3 -0.12 -0.05 0.09 -0.04 3.93 3.80 3ig4A1 GLY 100 H -0.00 0.41 -0.13 -0.55 8.43 8.16 3ig4A1 GLY 100 HA2 0.01 0.03 0.27 -0.51 4.01 3.80 3ig4A1 GLY 100 HA3 0.01 0.05 0.53 -0.51 4.01 4.09 3ig4A1 ILE 101 H -0.02 0.07 -0.31 -0.55 8.25 7.44 3ig4A1 ILE 101 HA 0.00 0.10 0.67 -0.75 4.18 4.20 3ig4A1 ILE 101 HB 0.00 -0.02 -0.05 -0.04 1.89 1.77 3ig4A1 ILE 101 HG12 0.08 0.00 -0.11 -0.04 1.49 1.42 3ig4A1 ILE 101 HG13 -0.01 0.12 -0.25 -0.04 1.21 1.03 3ig4A1 ILE 101 HG23 0.01 -0.03 -0.36 -0.04 0.93 0.51 3ig4A1 ILE 101 HD13 0.12 0.01 -0.10 -0.04 0.88 0.86 3ig4A1 LYS 102 H -0.01 0.15 0.15 -0.55 8.42 8.16 3ig4A1 LYS 102 HA -0.02 0.08 0.31 -0.75 4.32 3.94 3ig4A1 LYS 102 HB2 -0.02 0.05 0.12 -0.04 1.87 1.99 3ig4A1 LYS 102 HB3 -0.02 -0.02 0.16 -0.04 1.79 1.87 3ig4A1 LYS 102 HG2 -0.02 -0.03 -0.12 -0.04 1.46 1.25 3ig4A1 LYS 102 HG3 -0.02 -0.01 0.04 -0.04 1.46 1.43 3ig4A1 LYS 102 HD2 -0.01 0.02 0.02 -0.04 1.69 1.68 3ig4A1 LYS 102 HD3 -0.02 0.01 0.02 -0.04 1.68 1.65 3ig4A1 LYS 102 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 3ig4A1 LYS 102 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 3ig4A1 LYS 103 H -0.05 0.16 0.01 -0.55 8.42 7.99 3ig4A1 LYS 103 HA -0.07 0.09 0.64 -0.75 4.32 4.22 3ig4A1 LYS 103 HB2 -0.06 -0.02 0.11 -0.04 1.87 1.85 3ig4A1 LYS 103 HB3 -0.10 0.16 0.29 -0.04 1.79 2.10 3ig4A1 LYS 103 HG2 -0.15 -0.05 -0.12 -0.04 1.46 1.10 3ig4A1 LYS 103 HG3 -0.10 0.00 -0.06 -0.04 1.46 1.26 3ig4A1 LYS 103 HD2 -0.05 -0.00 -0.01 -0.04 1.69 1.58 3ig4A1 LYS 103 HD3 -0.07 0.02 -0.03 -0.04 1.68 1.56 3ig4A1 LYS 103 HE2 -0.07 -0.02 -0.07 -0.04 2.99 2.79 3ig4A1 LYS 103 HE3 -0.04 -0.00 -0.03 -0.04 2.99 2.87 3ig4A1 VAL 104 H -0.10 0.24 0.21 -0.55 8.24 8.04 3ig4A1 VAL 104 HA -0.18 0.17 1.12 -0.75 4.13 4.48 3ig4A1 VAL 104 HB -0.12 -0.04 0.19 -0.04 2.12 2.11 3ig4A1 VAL 104 HG13 -0.17 -0.02 -0.13 -0.04 0.97 0.62 3ig4A1 VAL 104 HG23 -0.06 0.02 -0.27 -0.04 0.95 0.60 3ig4A1 ILE 105 H -0.35 0.85 0.35 -0.55 8.25 8.55 3ig4A1 ILE 105 HA -0.35 0.18 0.98 -0.75 4.18 4.23 3ig4A1 ILE 105 HB -0.05 -0.18 0.20 -0.04 1.89 1.82 3ig4A1 ILE 105 HG12 -0.56 0.07 -0.05 -0.04 1.49 0.91 3ig4A1 ILE 105 HG13 -0.53 -0.00 -0.16 -0.04 1.21 0.48 3ig4A1 ILE 105 HG23 -0.12 -0.00 -0.18 -0.04 0.93 0.59 3ig4A1 ILE 105 HD13 -0.20 0.00 -0.09 -0.04 0.88 0.55 3ig4A1 TYR 106 H 0.12 0.14 0.16 -0.55 8.29 8.17 3ig4A1 TYR 106 HA 0.11 0.33 1.10 -0.75 4.56 5.34 3ig4A1 TYR 106 HB2 0.08 -0.02 0.07 -0.04 3.06 3.15 3ig4A1 TYR 106 HB3 0.08 -0.07 0.08 -0.04 2.98 3.03 3ig4A1 TYR 106 HD2 0.04 0.04 -0.24 -0.04 7.15 6.95 3ig4A1 TYR 106 HE2 0.02 0.06 -0.05 -0.04 6.85 6.84 3ig4A1 LEU 107 H 0.27 0.68 0.24 -0.55 8.37 9.01 3ig4A1 LEU 107 HA 0.26 0.08 0.33 -0.75 4.35 4.27 3ig4A1 LEU 107 HB2 0.12 -0.05 0.12 -0.04 1.64 1.78 3ig4A1 LEU 107 HB3 0.07 0.01 -0.01 -0.04 1.64 1.66 3ig4A1 LEU 107 HG 0.15 0.05 -0.30 -0.04 1.64 1.50 3ig4A1 LEU 107 HD13 0.02 0.07 -0.07 -0.04 0.93 0.91 3ig4A1 LEU 107 HD23 -0.03 0.00 -0.02 -0.04 0.89 0.80 3ig4A1 ASP 108 H 0.18 0.09 -0.17 -0.55 8.40 7.96 3ig4A1 ASP 108 HA 0.12 0.08 0.31 -0.75 4.63 4.39 3ig4A1 ASP 108 HB2 0.07 0.05 0.13 -0.04 2.71 2.92 3ig4A1 ASP 108 HB3 0.07 0.00 0.11 -0.04 2.70 2.84 3ig4A1 SER 109 H 0.27 0.49 -0.68 -0.55 8.46 8.00 3ig4A1 SER 109 HA 0.15 0.15 0.89 -0.75 4.49 4.93 3ig4A1 SER 109 HB2 0.16 -0.01 0.13 -0.04 3.95 4.19 3ig4A1 SER 109 HB3 0.18 -0.07 -0.00 -0.04 3.93 4.00 3ig4A1 PHE 110 H 0.30 0.76 -0.02 -0.55 8.34 8.83 3ig4A1 PHE 110 HA -0.08 0.07 0.41 -0.75 4.62 4.27 3ig4A1 PHE 110 HB2 -0.27 -0.03 0.12 -0.04 3.15 2.94 3ig4A1 PHE 110 HB3 -0.04 0.02 0.14 -0.04 3.06 3.13 3ig4A1 PHE 110 HD2 -0.92 -0.02 -0.12 -0.04 7.28 6.18 3ig4A1 PHE 110 HE2 0.01 0.02 -0.11 -0.04 7.38 7.26 3ig4A1 PHE 110 HZ 0.16 0.01 -0.11 -0.04 7.32 7.34 3ig4A1 GLU 111 H 0.17 0.13 -0.10 -0.55 8.60 8.26 3ig4A1 GLU 111 HA -0.02 0.11 0.30 -0.75 4.29 3.94 3ig4A1 GLU 111 HB2 0.09 -0.03 0.06 -0.04 2.09 2.17 3ig4A1 GLU 111 HB3 0.07 0.06 -0.02 -0.04 1.99 2.06 3ig4A1 GLU 111 HG2 0.18 0.03 -0.02 -0.04 2.34 2.50 3ig4A1 GLU 111 HG3 0.19 -0.04 0.03 -0.04 2.34 2.47 3ig4A1 LYS 112 H 0.07 0.03 -0.27 -0.55 8.42 7.70 3ig4A1 LYS 112 HA 0.05 0.06 0.37 -0.75 4.32 4.04 3ig4A1 LYS 112 HB2 0.06 -0.04 0.08 -0.04 1.87 1.93 3ig4A1 LYS 112 HB3 0.07 0.06 -0.00 -0.04 1.79 1.87 3ig4A1 LYS 112 HG2 0.05 0.00 -0.01 -0.04 1.46 1.46 3ig4A1 LYS 112 HG3 0.05 -0.01 0.01 -0.04 1.46 1.46 3ig4A1 LYS 112 HD2 0.05 -0.00 -0.08 -0.04 1.69 1.61 3ig4A1 LYS 112 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.64 3ig4A1 LYS 112 HE2 0.06 -0.02 0.00 -0.04 2.99 3.00 3ig4A1 LYS 112 HE3 0.08 0.04 0.00 -0.04 2.99 3.07 3ig4A1 THR 113 H 0.03 0.29 -0.37 -0.55 8.28 7.69 3ig4A1 THR 113 HA 0.03 -0.05 0.23 -0.75 4.39 3.84 3ig4A1 THR 113 HB -0.10 0.22 0.14 -0.04 4.32 4.55 3ig4A1 THR 113 HG23 0.13 -0.03 0.01 -0.04 1.22 1.29 3ig4A1 SER 115 HA 0.21 -0.07 0.33 -0.75 4.49 4.21 3ig4A1 SER 115 HB2 0.07 0.10 0.10 -0.04 3.95 4.19 3ig4A1 SER 115 HB3 0.09 -0.09 0.01 -0.04 3.93 3.91 3ig4A1 ASN 116 H 0.05 0.62 -0.49 -0.55 8.53 8.16 3ig4A1 ASN 116 HA 0.11 -0.09 0.51 -0.75 4.76 4.54 3ig4A1 ASN 116 HB2 0.01 0.14 0.12 -0.04 2.88 3.11 3ig4A1 ASN 116 HB3 0.01 -0.07 -0.02 -0.04 2.79 2.67 3ig4A1 ASN 116 HD21 0.07 -0.02 -0.02 -0.04 7.03 7.02 3ig4A1 ASN 116 HD22 0.10 -0.08 0.05 -0.04 7.74 7.77 3ig4A1 ILE 117 H -0.06 0.73 0.22 -0.55 8.25 8.59 3ig4A1 ILE 117 HA -0.15 0.01 0.41 -0.75 4.18 3.68 3ig4A1 ILE 117 HB -0.28 0.15 0.04 -0.04 1.89 1.75 3ig4A1 ILE 117 HG12 -0.15 0.01 -0.05 -0.04 1.49 1.25 3ig4A1 ILE 117 HG13 -0.12 -0.04 -0.01 -0.04 1.21 1.00 3ig4A1 ILE 117 HG23 -1.03 -0.00 -0.28 -0.04 0.93 -0.42 3ig4A1 ILE 117 HD13 -0.05 0.01 -0.00 -0.04 0.88 0.80 3ig4A1 PHE 118 H -0.06 0.22 -0.29 -0.55 8.34 7.66 3ig4A1 PHE 118 HA -0.17 0.10 0.30 -0.75 4.62 4.10 3ig4A1 PHE 118 HB2 -0.83 0.03 -0.02 -0.04 3.15 2.29 3ig4A1 PHE 118 HB3 -1.33 0.05 0.02 -0.04 3.06 1.76 3ig4A1 PHE 118 HD2 -0.25 0.11 -0.11 -0.04 7.28 6.98 3ig4A1 PHE 118 HE2 0.00 -0.01 -0.19 -0.04 7.38 7.14 3ig4A1 PHE 118 HZ 0.08 -0.02 -0.15 -0.04 7.32 7.18 3ig4A1 PHE 119 H 0.17 0.23 -0.27 -0.55 8.34 7.92 3ig4A1 PHE 119 HA 0.10 0.27 1.13 -0.75 4.62 5.38 3ig4A1 PHE 119 HB2 0.16 0.01 0.03 -0.04 3.15 3.30 3ig4A1 PHE 119 HB3 0.07 0.06 0.18 -0.04 3.06 3.33 3ig4A1 PHE 119 HD2 0.06 0.00 -0.01 -0.04 7.28 7.30 3ig4A1 PHE 119 HE2 0.02 -0.03 -0.03 -0.04 7.38 7.30 3ig4A1 PHE 119 HZ 0.01 -0.04 -0.03 -0.04 7.32 7.22 3ig4A1 THR 120 H 0.15 0.17 0.20 -0.55 8.28 8.25 3ig4A1 THR 120 HA -0.37 0.03 0.37 -0.75 4.39 3.66 3ig4A1 THR 120 HB -0.01 0.14 0.21 -0.04 4.32 4.62 3ig4A1 THR 120 HG23 -0.05 -0.02 -0.06 -0.04 1.22 1.05 3ig4A1 GLU 121 H -0.11 0.45 -0.05 -0.55 8.60 8.34 3ig4A1 GLU 121 HA -0.20 0.11 0.58 -0.75 4.29 4.03 3ig4A1 GLU 121 HB2 -0.19 0.16 0.10 -0.04 2.09 2.12 3ig4A1 GLU 121 HB3 -0.37 -0.06 0.09 -0.04 1.99 1.61 3ig4A1 GLU 121 HG2 -0.17 -0.02 -0.07 -0.04 2.34 2.04 3ig4A1 GLU 121 HG3 -0.11 -0.01 -0.09 -0.04 2.34 2.08 3ig4A1 ASN 122 H -0.13 0.20 -0.69 -0.55 8.53 7.35 3ig4A1 ASN 122 HA -0.00 0.12 0.17 -0.75 4.76 4.30 3ig4A1 ASN 122 HB2 -0.11 0.00 -0.42 -0.04 2.88 2.31 3ig4A1 ASN 122 HB3 -0.03 -0.07 0.17 -0.04 2.79 2.82 3ig4A1 ASN 122 HD21 -0.09 -0.07 0.02 -0.04 7.03 6.85 3ig4A1 ASN 122 HD22 0.01 0.04 -0.01 -0.04 7.74 7.74 3ig4A1 VAL 123 H -0.04 0.21 -0.17 -0.55 8.24 7.69 3ig4A1 VAL 123 HA 0.14 0.08 0.48 -0.75 4.13 4.07 3ig4A1 VAL 123 HB -0.18 -0.01 -0.10 -0.04 2.12 1.79 3ig4A1 VAL 123 HG13 0.13 -0.02 -0.27 -0.04 0.97 0.77 3ig4A1 VAL 123 HG23 0.21 -0.00 -0.14 -0.04 0.95 0.98 3ig4A1 LYS 124 H 0.19 0.16 0.24 -0.55 8.42 8.46 3ig4A1 LYS 124 HA 0.11 0.24 0.95 -0.75 4.32 4.86 3ig4A1 LYS 124 HB2 0.11 0.02 0.11 -0.04 1.87 2.08 3ig4A1 LYS 124 HB3 0.08 -0.01 0.16 -0.04 1.79 1.97 3ig4A1 LYS 124 HG2 0.19 0.04 -0.25 -0.04 1.46 1.40 3ig4A1 LYS 124 HG3 0.11 0.18 -0.06 -0.04 1.46 1.65 3ig4A1 LYS 124 HD2 0.09 -0.02 0.02 -0.04 1.69 1.74 3ig4A1 LYS 124 HD3 0.08 -0.03 -0.02 -0.04 1.68 1.68 3ig4A1 LYS 124 HE2 0.08 0.06 0.06 -0.04 2.99 3.15 3ig4A1 LYS 124 HE3 0.07 -0.03 0.04 -0.04 2.99 3.03 3ig4A1 HIS 125 H 0.23 0.10 0.12 -0.55 8.41 8.31 3ig4A1 HIS 125 HA 0.01 0.26 1.08 -0.75 4.63 5.23 3ig4A1 HIS 125 HB2 0.08 0.00 0.03 -0.04 3.26 3.34 3ig4A1 HIS 125 HB3 0.10 -0.00 0.25 -0.04 3.20 3.50 3ig4A1 HIS 125 HD2 -0.27 0.14 -0.12 -0.04 6.97 6.68 3ig4A1 HIS 125 HE1 0.10 -0.04 -0.04 -0.04 7.75 7.73 3ig4A1 LEU 126 H 0.15 0.90 0.35 -0.55 8.37 9.23 3ig4A1 LEU 126 HA 0.19 0.30 1.16 -0.75 4.35 5.25 3ig4A1 LEU 126 HB2 0.39 -0.01 -0.09 -0.04 1.64 1.88 3ig4A1 LEU 126 HB3 0.17 0.04 0.01 -0.04 1.64 1.82 3ig4A1 LEU 126 HG 0.21 -0.10 -0.51 -0.04 1.64 1.20 3ig4A1 LEU 126 HD13 0.32 0.03 -0.07 -0.04 0.93 1.17 3ig4A1 LEU 126 HD23 0.34 -0.02 -0.15 -0.04 0.89 1.02 3ig4A1 TYR 127 H 0.26 0.82 0.45 -0.55 8.29 9.27 3ig4A1 TYR 127 HA 0.10 0.23 1.11 -0.75 4.56 5.25 3ig4A1 TYR 127 HB2 0.01 0.07 0.07 -0.04 3.06 3.17 3ig4A1 TYR 127 HB3 0.04 -0.11 -0.09 -0.04 2.98 2.78 3ig4A1 TYR 127 HD2 -0.05 -0.02 -0.41 -0.04 7.15 6.63 3ig4A1 TYR 127 HE2 -0.37 0.03 -0.13 -0.04 6.85 6.33 3ig4A1 LEU 128 H 0.17 0.64 0.41 -0.55 8.37 9.05 3ig4A1 LEU 128 HA 0.17 0.30 0.90 -0.75 4.35 4.97 3ig4A1 LEU 128 HB2 0.17 0.00 -0.01 -0.04 1.64 1.77 3ig4A1 LEU 128 HB3 0.21 -0.07 0.00 -0.04 1.64 1.74 3ig4A1 LEU 128 HG 0.24 0.02 -0.40 -0.04 1.64 1.46 3ig4A1 LEU 128 HD13 0.36 0.00 -0.12 -0.04 0.93 1.13 3ig4A1 LEU 128 HD23 0.27 0.03 0.06 -0.04 0.89 1.21 3ig4A1 ASP 129 H 0.17 0.30 0.14 -0.55 8.40 8.47 3ig4A1 ASP 129 HA 0.20 -0.03 0.71 -0.75 4.63 4.75 3ig4A1 ASP 129 HB2 0.16 0.10 0.04 -0.04 2.71 2.97 3ig4A1 ASP 129 HB3 0.18 -0.00 0.27 -0.04 2.70 3.10 3ig4A1 LEU 130 H 0.14 0.18 0.03 -0.55 8.37 8.18 3ig4A1 LEU 130 HA 0.06 0.13 0.57 -0.75 4.35 4.36 3ig4A1 LEU 130 HB2 0.07 -0.01 0.18 -0.04 1.64 1.83 3ig4A1 LEU 130 HB3 0.04 0.04 0.00 -0.04 1.64 1.68 3ig4A1 LEU 130 HG 0.12 -0.06 -0.26 -0.04 1.64 1.41 3ig4A1 LEU 130 HD13 0.07 0.02 -0.13 -0.04 0.93 0.86 3ig4A1 LEU 130 HD23 0.10 0.01 -0.18 -0.04 0.89 0.77 3ig4A1 GLU 131 H -0.03 0.31 0.00 -0.55 8.60 8.33 3ig4A1 GLU 131 HA -0.49 0.13 0.74 -0.75 4.29 3.92 3ig4A1 GLU 131 HB2 -0.34 -0.03 0.01 -0.04 2.09 1.69 3ig4A1 GLU 131 HB3 -0.10 0.00 0.19 -0.04 1.99 2.04 3ig4A1 GLU 131 HG2 -0.17 -0.04 -0.18 -0.04 2.34 1.91 3ig4A1 GLU 131 HG3 -0.55 0.03 -0.05 -0.04 2.34 1.73 3ig4A1 CYS 132 H -0.13 0.31 0.02 -0.55 8.50 8.15 3ig4A1 CYS 132 HA -0.05 0.13 0.95 -0.75 4.58 4.87 3ig4A1 CYS 132 HB2 -0.02 -0.03 -0.18 -0.04 2.97 2.70 3ig4A1 CYS 132 HB3 -0.01 0.05 0.09 -0.04 2.97 3.06 3ig4A1 ARG 133 H -0.03 0.17 0.06 -0.55 8.46 8.11 3ig4A1 ARG 133 HA -0.00 0.17 0.37 -0.75 4.34 4.13 3ig4A1 ARG 133 HB2 -0.01 -0.00 0.03 -0.04 1.90 1.88 3ig4A1 ARG 133 HB3 0.01 0.03 0.05 -0.04 1.80 1.85 3ig4A1 ARG 133 HG2 -0.03 0.04 -0.07 -0.04 1.67 1.56 3ig4A1 ARG 133 HG3 -0.07 -0.07 -0.15 -0.04 1.67 1.34 3ig4A1 ARG 133 HD2 -0.01 0.01 -0.03 -0.04 3.22 3.15 3ig4A1 ARG 133 HD3 0.02 0.03 -0.02 -0.04 3.22 3.20 3ig4A1 GLU 134 H 0.02 0.10 -0.11 -0.55 8.60 8.05 3ig4A1 GLU 134 HA 0.09 0.24 0.99 -0.75 4.29 4.85 3ig4A1 GLU 134 HB2 0.01 -0.04 0.05 -0.04 2.09 2.07 3ig4A1 GLU 134 HB3 0.05 -0.06 -0.08 -0.04 1.99 1.85 3ig4A1 GLU 134 HG2 0.02 -0.05 -0.28 -0.04 2.34 1.98 3ig4A1 GLU 134 HG3 0.02 0.04 -0.07 -0.04 2.34 2.28 3ig4A1 TRP 135 H 0.27 0.19 0.12 -0.55 7.97 8.00 3ig4A1 TRP 135 HA -0.00 0.13 0.44 -0.75 4.62 4.43 3ig4A1 TRP 135 HB2 -0.00 0.04 0.10 -0.04 3.23 3.32 3ig4A1 TRP 135 HB3 -0.00 -0.04 0.14 -0.04 3.23 3.28 3ig4A1 TRP 135 HD1 -0.00 -0.03 -0.11 -0.04 7.22 7.04 3ig4A1 TRP 135 HE1 -0.00 0.00 -0.04 -0.04 10.20 10.11 3ig4A1 TRP 135 HE3 -0.00 -0.00 0.03 -0.04 7.59 7.58 3ig4A1 TRP 135 HZ2 -0.00 -0.00 -0.01 -0.04 7.44 7.39 3ig4A1 TRP 135 HZ3 0.00 0.01 0.01 -0.04 7.13 7.11 3ig4A1 TRP 135 HH2 0.00 0.01 0.00 -0.04 7.19 7.16 3ig4A1 LYS 136 H 0.10 0.02 -0.17 -0.55 8.42 7.82 3ig4A1 LYS 136 HA -0.30 0.32 0.97 -0.75 4.32 4.56 3ig4A1 LYS 136 HB2 0.06 -0.07 0.06 -0.04 1.87 1.87 3ig4A1 LYS 136 HB3 -0.03 0.03 0.18 -0.04 1.79 1.92 3ig4A1 LYS 136 HG2 -0.23 0.11 -0.02 -0.04 1.46 1.28 3ig4A1 LYS 136 HG3 0.14 -0.06 -0.12 -0.04 1.46 1.38 3ig4A1 LYS 136 HD2 0.08 -0.03 -0.01 -0.04 1.69 1.70 3ig4A1 LYS 136 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 3ig4A1 LYS 136 HE2 -0.03 0.04 -0.01 -0.04 2.99 2.95 3ig4A1 LYS 136 HE3 0.13 -0.01 -0.02 -0.04 2.99 3.04 3ig4A1 GLY 137 H -0.06 0.25 -0.60 -0.55 8.43 7.48 3ig4A1 GLY 137 HA2 -0.03 0.00 0.39 -0.51 4.01 3.87 3ig4A1 GLY 137 HA3 -0.04 0.01 0.25 -0.51 4.01 3.72 3ig4A1 THR 138 H -0.03 0.08 0.14 -0.55 8.28 7.91 3ig4A1 THR 138 HA -0.05 0.19 0.77 -0.75 4.39 4.54 3ig4A1 THR 138 HB -0.03 0.03 0.05 -0.04 4.32 4.33 3ig4A1 THR 138 HG23 -0.02 -0.00 -0.01 -0.04 1.22 1.14 3ig4A1 GLU 139 H -0.05 0.12 0.10 -0.55 8.60 8.23 3ig4A1 GLU 139 HA -0.04 -0.00 0.28 -0.75 4.29 3.77 3ig4A1 GLU 139 HB2 -0.04 0.04 0.10 -0.04 2.09 2.15 3ig4A1 GLU 139 HB3 -0.04 -0.00 0.04 -0.04 1.99 1.95 3ig4A1 GLU 139 HG2 -0.03 0.03 -0.12 -0.04 2.34 2.18 3ig4A1 GLU 139 HG3 -0.03 0.02 -0.07 -0.04 2.34 2.22 3ig4A1 THR 140 H -0.03 0.05 0.21 -0.55 8.28 7.96 3ig4A1 THR 140 HA -0.03 0.31 0.96 -0.75 4.39 4.88 3ig4A1 THR 140 HB -0.03 -0.05 0.19 -0.04 4.32 4.39 3ig4A1 THR 140 HG23 -0.02 0.09 0.02 -0.04 1.22 1.26 3ig4A1 LYS 141 H -0.06 0.23 0.17 -0.55 8.42 8.20 3ig4A1 LYS 141 HA -0.08 0.12 0.30 -0.75 4.32 3.90 3ig4A1 LYS 141 HB2 -0.16 -0.03 0.16 -0.04 1.87 1.80 3ig4A1 LYS 141 HB3 -0.25 0.06 0.01 -0.04 1.79 1.56 3ig4A1 LYS 141 HG2 -0.08 0.03 0.03 -0.04 1.46 1.40 3ig4A1 LYS 141 HG3 -0.08 0.03 0.08 -0.04 1.46 1.45 3ig4A1 LYS 141 HD2 -0.14 -0.02 -0.00 -0.04 1.69 1.49 3ig4A1 LYS 141 HD3 -0.13 0.02 -0.00 -0.04 1.68 1.52 3ig4A1 LYS 141 HE2 -0.06 0.02 -0.01 -0.04 2.99 2.90 3ig4A1 LYS 141 HE3 -0.07 0.03 -0.02 -0.04 2.99 2.88 3ig4A1 THR 142 H -0.10 0.08 -0.15 -0.55 8.28 7.57 3ig4A1 THR 142 HA -0.17 0.13 0.47 -0.75 4.39 4.07 3ig4A1 THR 142 HB 0.02 -0.04 0.10 -0.04 4.32 4.36 3ig4A1 THR 142 HG23 0.16 0.06 -0.13 -0.04 1.22 1.26 3ig4A1 LEU 143 H 0.00 0.05 -0.10 -0.55 8.37 7.77 3ig4A1 LEU 143 HA 0.05 0.08 0.42 -0.75 4.35 4.14 3ig4A1 LEU 143 HB2 -0.01 -0.10 0.14 -0.04 1.64 1.62 3ig4A1 LEU 143 HB3 -0.01 0.08 0.02 -0.04 1.64 1.69 3ig4A1 LEU 143 HG -0.00 -0.08 0.06 -0.04 1.64 1.57 3ig4A1 LEU 143 HD13 -0.04 0.01 -0.03 -0.04 0.93 0.83 3ig4A1 LEU 143 HD23 0.01 0.02 -0.06 -0.04 0.89 0.82 3ig4A1 ALA 144 H -0.00 0.57 -0.31 -0.55 8.40 8.12 3ig4A1 ALA 144 HA 0.00 0.03 0.40 -0.75 4.34 4.02 3ig4A1 ALA 144 HB3 -0.02 0.03 0.01 -0.04 1.41 1.40 3ig4A1 PHE 145 H 0.13 0.50 -0.12 -0.55 8.34 8.31 3ig4A1 PHE 145 HA 0.04 0.01 0.40 -0.75 4.62 4.31 3ig4A1 PHE 145 HB2 -0.17 0.03 0.14 -0.04 3.15 3.11 3ig4A1 PHE 145 HB3 0.01 0.14 0.18 -0.04 3.06 3.35 3ig4A1 PHE 145 HD2 0.14 -0.00 -0.15 -0.04 7.28 7.22 3ig4A1 PHE 145 HE2 0.44 0.02 -0.11 -0.04 7.38 7.69 3ig4A1 PHE 145 HZ 0.42 0.04 -0.11 -0.04 7.32 7.63 3ig4A1 ALA 146 H 0.19 0.43 -0.22 -0.55 8.40 8.25 3ig4A1 ALA 146 HA 0.12 0.05 0.33 -0.75 4.34 4.10 3ig4A1 ALA 146 HB3 0.10 0.02 0.04 -0.04 1.41 1.53 3ig4A1 LYS 147 H 0.03 0.52 -0.16 -0.55 8.42 8.25 3ig4A1 LYS 147 HA -0.03 0.03 0.36 -0.75 4.32 3.93 3ig4A1 LYS 147 HB2 -0.01 0.02 0.13 -0.04 1.87 1.96 3ig4A1 LYS 147 HB3 0.00 0.13 0.16 -0.04 1.79 2.04 3ig4A1 LYS 147 HG2 -0.02 -0.01 -0.16 -0.04 1.46 1.22 3ig4A1 LYS 147 HG3 -0.03 -0.01 0.01 -0.04 1.46 1.39 3ig4A1 LYS 147 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 3ig4A1 LYS 147 HD3 -0.01 0.00 -0.03 -0.04 1.68 1.61 3ig4A1 LYS 147 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.87 3ig4A1 LYS 147 HE3 -0.02 0.01 -0.05 -0.04 2.99 2.89 3ig4A1 HIS 148 H 0.03 0.52 -0.25 -0.55 8.41 8.16 3ig4A1 HIS 148 HA -0.12 -0.02 0.35 -0.75 4.63 4.09 3ig4A1 HIS 148 HB2 -0.12 0.02 0.10 -0.04 3.26 3.22 3ig4A1 HIS 148 HB3 -0.29 0.13 0.14 -0.04 3.20 3.14 3ig4A1 HIS 148 HD2 -0.21 0.03 -0.12 -0.04 6.97 6.62 3ig4A1 HIS 148 HE1 -0.09 -0.01 -0.02 -0.04 7.75 7.59 3ig4A1 VAL 149 H -0.18 0.57 -0.15 -0.55 8.24 7.93 3ig4A1 VAL 149 HA -0.23 -0.03 0.37 -0.75 4.13 3.49 3ig4A1 VAL 149 HB -0.12 0.10 0.12 -0.04 2.12 2.18 3ig4A1 VAL 149 HG13 -0.24 0.00 -0.17 -0.04 0.97 0.52 3ig4A1 VAL 149 HG23 -0.38 0.01 -0.03 -0.04 0.95 0.51 3ig4A1 ARG 150 H -0.11 0.44 -0.40 -0.55 8.46 7.84 3ig4A1 ARG 150 HA -0.09 0.11 0.28 -0.75 4.34 3.88 3ig4A1 ARG 150 HB2 -0.05 0.08 0.08 -0.04 1.90 1.97 3ig4A1 ARG 150 HB3 -0.07 0.05 0.08 -0.04 1.80 1.82 3ig4A1 ARG 150 HG2 -0.04 -0.03 -0.01 -0.04 1.67 1.54 3ig4A1 ARG 150 HG3 -0.04 0.07 0.04 -0.04 1.67 1.70 3ig4A1 ARG 150 HD2 -0.02 -0.04 -0.01 -0.04 3.22 3.12 3ig4A1 ARG 150 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.10 3ig4A1 GLU 151 H -0.19 0.41 -0.15 -0.55 8.60 8.13 3ig4A1 GLU 151 HA -0.13 0.04 0.62 -0.75 4.29 4.08 3ig4A1 GLU 151 HB2 -0.23 0.05 0.17 -0.04 2.09 2.05 3ig4A1 GLU 151 HB3 -0.19 -0.06 -0.03 -0.04 1.99 1.68 3ig4A1 GLU 151 HG2 -0.08 -0.05 0.02 -0.04 2.34 2.18 3ig4A1 GLU 151 HG3 -0.08 0.01 -0.02 -0.04 2.34 2.20 3ig4A1 GLN 152 H -0.48 0.53 -0.03 -0.55 8.47 7.95 3ig4A1 GLN 152 HA -0.40 0.04 0.43 -0.75 4.36 3.68 3ig4A1 GLN 152 HB2 -1.10 0.05 0.05 -0.04 2.15 1.11 3ig4A1 GLN 152 HB3 -1.18 -0.04 0.00 -0.04 2.02 0.76 3ig4A1 GLN 152 HG2 -0.83 0.03 0.03 -0.04 2.40 1.59 3ig4A1 GLN 152 HG3 -0.65 -0.05 -0.02 -0.04 2.39 1.63 3ig4A1 GLN 152 HE21 -0.15 -0.04 -0.01 -0.04 6.97 6.73 3ig4A1 GLN 152 HE22 -0.18 -0.00 -0.01 -0.04 7.69 7.45 3ig4A1 TYR 153 H -0.27 0.55 -0.23 -0.55 8.29 7.80 3ig4A1 TYR 153 HA 0.05 0.14 0.89 -0.75 4.56 4.88 3ig4A1 TYR 153 HB2 -0.41 0.09 0.21 -0.04 3.06 2.90 3ig4A1 TYR 153 HB3 -0.33 -0.02 0.13 -0.04 2.98 2.73 3ig4A1 TYR 153 HD2 -0.22 0.04 -0.02 -0.04 7.15 6.91 3ig4A1 TYR 153 HE2 -0.04 -0.02 -0.11 -0.04 6.85 6.64 3ig4A1 PRO 154 HA -0.04 0.17 0.36 -0.51 4.44 4.42 3ig4A1 PRO 154 HB2 0.03 -0.06 0.00 -0.04 2.28 2.21 3ig4A1 PRO 154 HB3 -0.02 0.10 0.14 -0.04 2.02 2.20 3ig4A1 PRO 154 HG2 0.09 -0.06 0.02 -0.04 2.03 2.04 3ig4A1 PRO 154 HG3 -0.00 0.03 0.02 -0.04 2.03 2.04 3ig4A1 PRO 154 HD2 0.11 0.13 -0.03 -0.04 3.68 3.85 3ig4A1 PRO 154 HD3 -0.07 0.27 -0.55 -0.04 3.65 3.26 3ig4A1 HIS 155 H 0.21 0.06 -0.52 -0.55 8.41 7.61 3ig4A1 HIS 155 HA 0.01 0.09 0.51 -0.75 4.63 4.48 3ig4A1 HIS 155 HB2 0.03 -0.03 0.08 -0.04 3.26 3.30 3ig4A1 HIS 155 HB3 0.03 -0.06 0.02 -0.04 3.20 3.15 3ig4A1 HIS 155 HD2 0.06 -0.03 -0.15 -0.04 6.97 6.81 3ig4A1 HIS 155 HE1 0.26 0.04 0.05 -0.04 7.75 8.06 3ig4A1 VAL 156 H -0.34 0.46 -0.21 -0.55 8.24 7.60 3ig4A1 VAL 156 HA -0.14 0.12 0.59 -0.75 4.13 3.94 3ig4A1 VAL 156 HB -0.20 0.13 0.06 -0.04 2.12 2.07 3ig4A1 VAL 156 HG13 0.02 -0.05 -0.40 -0.04 0.97 0.50 3ig4A1 VAL 156 HG23 -0.38 -0.01 0.01 -0.04 0.95 0.53 3ig4A1 THR 157 H -0.07 0.79 0.45 -0.55 8.28 8.90 3ig4A1 THR 157 HA -0.08 0.08 0.79 -0.75 4.39 4.43 3ig4A1 THR 157 HB -0.40 0.03 0.26 -0.04 4.32 4.17 3ig4A1 THR 157 HG23 -0.24 -0.03 -0.15 -0.04 1.22 0.75 3ig4A1 ILE 158 H -0.05 0.17 0.19 -0.55 8.25 8.02 3ig4A1 ILE 158 HA -0.02 0.37 1.07 -0.75 4.18 4.85 3ig4A1 ILE 158 HB 0.00 -0.05 0.13 -0.04 1.89 1.93 3ig4A1 ILE 158 HG12 0.02 0.04 -0.25 -0.04 1.49 1.27 3ig4A1 ILE 158 HG13 -0.02 0.15 -0.20 -0.04 1.21 1.10 3ig4A1 ILE 158 HG23 0.05 -0.03 -0.13 -0.04 0.93 0.78 3ig4A1 ILE 158 HD13 0.02 -0.03 -0.08 -0.04 0.88 0.75 3ig4A1 GLY 159 H -0.28 0.85 0.48 -0.55 8.43 8.94 3ig4A1 GLY 159 HA2 -0.06 0.15 0.92 -0.51 4.01 4.51 3ig4A1 GLY 159 HA3 -0.59 0.06 0.29 -0.51 4.01 3.26 3ig4A1 ASN 160 H 0.14 0.21 0.19 -0.55 8.53 8.53 3ig4A1 ASN 160 HA 0.17 0.20 0.98 -0.75 4.76 5.36 3ig4A1 ASN 160 HB2 0.10 0.07 0.12 -0.04 2.88 3.13 3ig4A1 ASN 160 HB3 0.14 0.04 0.26 -0.04 2.79 3.19 3ig4A1 ASN 160 HD21 0.09 0.07 0.07 -0.04 7.03 7.22 3ig4A1 ASN 160 HD22 0.10 0.05 0.08 -0.04 7.74 7.92 3ig4A1 VAL 161 H 0.24 0.74 0.31 -0.55 8.24 8.97 3ig4A1 VAL 161 HA 0.12 0.23 0.73 -0.75 4.13 4.45 3ig4A1 VAL 161 HB 0.18 0.04 -0.11 -0.04 2.12 2.19 3ig4A1 VAL 161 HG13 0.13 -0.00 -0.44 -0.04 0.97 0.61 3ig4A1 VAL 161 HG23 -0.05 0.02 -0.03 -0.04 0.95 0.85 3ig4A1 TYR 162 H 0.25 0.04 -0.10 -0.55 8.29 7.92 3ig4A1 TYR 162 HA 0.03 0.02 0.33 -0.75 4.56 4.19 3ig4A1 TYR 162 HB2 0.05 -0.13 -0.09 -0.04 3.06 2.85 3ig4A1 TYR 162 HB3 0.05 0.12 0.01 -0.04 2.98 3.11 3ig4A1 TYR 162 HD2 0.02 0.01 -0.14 -0.04 7.15 7.00 3ig4A1 TYR 162 HE2 0.00 0.01 -0.06 -0.04 6.85 6.76 3ig4A1 PRO 163 HA -0.07 0.00 0.36 -0.51 4.44 4.22 3ig4A1 PRO 163 HB2 0.04 0.12 -0.00 -0.04 2.28 2.40 3ig4A1 PRO 163 HB3 0.05 0.03 0.04 -0.04 2.02 2.10 3ig4A1 PRO 163 HG2 0.12 0.13 0.06 -0.04 2.03 2.30 3ig4A1 PRO 163 HG3 0.17 0.01 0.04 -0.04 2.03 2.22 3ig4A1 PRO 163 HD2 0.16 0.33 -0.27 -0.04 3.68 3.86 3ig4A1 PRO 163 HD3 0.30 0.01 0.02 -0.04 3.65 3.94 3ig4A1 ASN 164 H 0.00 0.18 -0.33 -0.55 8.53 7.83 3ig4A1 ASN 164 HA -0.05 0.06 0.29 -0.75 4.76 4.30 3ig4A1 ASN 164 HB2 -0.05 0.13 0.09 -0.04 2.88 3.01 3ig4A1 ASN 164 HB3 -0.07 0.06 -0.02 -0.04 2.79 2.72 3ig4A1 ASN 164 HD21 -0.10 0.06 -0.03 -0.04 7.03 6.91 3ig4A1 ASN 164 HD22 -0.12 0.05 -0.10 -0.04 7.74 7.53 3ig4A1 ILE 165 H -0.11 0.37 -0.27 -0.55 8.25 7.68 3ig4A1 ILE 165 HA -0.11 0.13 0.32 -0.75 4.18 3.77 3ig4A1 ILE 165 HB -0.17 -0.04 0.07 -0.04 1.89 1.71 3ig4A1 ILE 165 HG12 -0.03 0.06 -0.09 -0.04 1.49 1.39 3ig4A1 ILE 165 HG13 -0.04 0.14 -0.01 -0.04 1.21 1.26 3ig4A1 ILE 165 HG23 -0.13 -0.00 -0.08 -0.04 0.93 0.67 3ig4A1 ILE 165 HD13 0.01 -0.02 -0.15 -0.04 0.88 0.68 3ig4A1 CYS 166 H -0.35 0.51 -0.02 -0.55 8.50 8.10 3ig4A1 CYS 166 HA -0.34 -0.01 0.37 -0.75 4.58 3.85 3ig4A1 CYS 166 HB2 -0.31 0.12 0.12 -0.04 2.97 2.86 3ig4A1 CYS 166 HB3 -0.30 -0.11 -0.06 -0.04 2.97 2.47 3ig4A1 GLU 167 H -0.15 0.58 -0.27 -0.55 8.60 8.22 3ig4A1 GLU 167 HA -0.11 -0.02 0.28 -0.75 4.29 3.68 3ig4A1 GLU 167 HB2 -0.06 -0.05 0.07 -0.04 2.09 2.02 3ig4A1 GLU 167 HB3 -0.04 0.17 0.03 -0.04 1.99 2.11 3ig4A1 GLU 167 HG2 0.02 -0.02 -0.01 -0.04 2.34 2.29 3ig4A1 GLU 167 HG3 0.09 0.04 -0.01 -0.04 2.34 2.41 3ig4A1 LEU 168 H -0.12 0.26 -0.48 -0.55 8.37 7.49 3ig4A1 LEU 168 HA 0.06 0.09 0.65 -0.75 4.35 4.39 3ig4A1 LEU 168 HB2 -0.08 0.11 0.19 -0.04 1.64 1.82 3ig4A1 LEU 168 HB3 0.12 -0.03 -0.01 -0.04 1.64 1.68 3ig4A1 LEU 168 HG 0.00 -0.03 0.00 -0.04 1.64 1.57 3ig4A1 LEU 168 HD13 -0.04 0.03 -0.08 -0.04 0.93 0.80 3ig4A1 LEU 168 HD23 0.03 -0.03 -0.12 -0.04 0.89 0.72 3ig4A1 ARG 169 H -0.31 0.42 -0.03 -0.55 8.46 7.99 3ig4A1 ARG 169 HA -0.21 0.05 0.29 -0.75 4.34 3.72 3ig4A1 ARG 169 HB2 -0.34 0.05 0.08 -0.04 1.90 1.65 3ig4A1 ARG 169 HB3 -0.24 -0.11 0.04 -0.04 1.80 1.45 3ig4A1 ARG 169 HG2 -1.14 -0.02 0.00 -0.04 1.67 0.47 3ig4A1 ARG 169 HG3 -1.26 0.11 -0.01 -0.04 1.67 0.48 3ig4A1 ARG 169 HD2 -0.40 -0.00 -0.16 -0.04 3.22 2.61 3ig4A1 ARG 169 HD3 -0.37 -0.05 -0.19 -0.04 3.22 2.57 3ig4A1 VAL 170 H -0.14 0.18 -0.79 -0.55 8.24 6.93 3ig4A1 VAL 170 HA -0.43 0.07 0.38 -0.75 4.13 3.39 3ig4A1 VAL 170 HB -0.31 0.17 0.01 -0.04 2.12 1.96 3ig4A1 VAL 170 HG13 -0.93 -0.02 -0.13 -0.04 0.97 -0.16 3ig4A1 VAL 170 HG23 -0.67 0.04 -0.04 -0.04 0.95 0.23 3ig4A1 PHE 171 H 0.20 0.40 -0.23 -0.55 8.34 8.16 3ig4A1 PHE 171 HA 0.02 0.15 0.99 -0.75 4.62 5.03 3ig4A1 PHE 171 HB2 0.01 0.02 0.20 -0.04 3.15 3.33 3ig4A1 PHE 171 HB3 0.02 -0.02 0.09 -0.04 3.06 3.11 3ig4A1 PHE 171 HD2 -0.02 0.19 0.07 -0.04 7.28 7.47 3ig4A1 PHE 171 HE2 -0.02 -0.03 -0.02 -0.04 7.38 7.26 3ig4A1 PHE 171 HZ -0.01 -0.06 -0.03 -0.04 7.32 7.18 3ig4A1 LYS 172 H 0.09 0.71 0.24 -0.55 8.42 8.91 3ig4A1 LYS 172 HA 0.19 0.05 0.70 -0.75 4.32 4.50 3ig4A1 LYS 172 HB2 0.07 -0.05 0.10 -0.04 1.87 1.95 3ig4A1 LYS 172 HB3 0.08 -0.19 0.14 -0.04 1.79 1.78 3ig4A1 LYS 172 HG2 0.07 0.28 0.28 -0.04 1.46 2.05 3ig4A1 LYS 172 HG3 0.09 -0.06 0.17 -0.04 1.46 1.62 3ig4A1 LYS 172 HD2 0.23 -0.20 0.06 -0.04 1.69 1.74 3ig4A1 LYS 172 HD3 0.15 0.10 -0.12 -0.04 1.68 1.77 3ig4A1 LYS 172 HE2 0.15 0.06 0.27 -0.04 2.99 3.43 3ig4A1 LYS 172 HE3 0.15 -0.26 0.18 -0.04 2.99 3.01 3ig4A1 THR 173 H 0.13 0.07 0.23 -0.55 8.28 8.16 3ig4A1 THR 173 HA 0.07 0.25 0.81 -0.75 4.39 4.75 3ig4A1 THR 173 HB 0.06 -0.05 0.19 -0.04 4.32 4.47 3ig4A1 THR 173 HG23 0.18 0.07 0.04 -0.04 1.22 1.47 3ig4A1 ASP 174 H 0.01 0.21 0.16 -0.55 8.40 8.23 3ig4A1 ASP 174 HA -0.02 0.11 0.36 -0.75 4.63 4.33 3ig4A1 ASP 174 HB2 -0.02 -0.01 0.13 -0.04 2.71 2.77 3ig4A1 ASP 174 HB3 -0.02 0.04 0.02 -0.04 2.70 2.69 3ig4A1 GLU 175 H -0.07 0.10 -0.14 -0.55 8.60 7.94 3ig4A1 GLU 175 HA -0.12 0.09 0.39 -0.75 4.29 3.90 3ig4A1 GLU 175 HB2 -0.24 -0.04 0.08 -0.04 2.09 1.85 3ig4A1 GLU 175 HB3 -0.29 0.10 -0.04 -0.04 1.99 1.72 3ig4A1 GLU 175 HG2 -0.10 0.02 0.04 -0.04 2.34 2.26 3ig4A1 GLU 175 HG3 -0.08 -0.07 0.05 -0.04 2.34 2.21 3ig4A1 GLU 176 H -0.19 0.07 -0.25 -0.55 8.60 7.67 3ig4A1 GLU 176 HA -0.62 0.09 0.43 -0.75 4.29 3.44 3ig4A1 GLU 176 HB2 -0.07 0.03 0.24 -0.04 2.09 2.25 3ig4A1 GLU 176 HB3 -0.18 0.08 0.03 -0.04 1.99 1.88 3ig4A1 GLU 176 HG2 -0.32 0.05 0.05 -0.04 2.34 2.08 3ig4A1 GLU 176 HG3 -0.37 -0.07 0.07 -0.04 2.34 1.92 3ig4A1 ILE 177 H -0.09 0.49 -0.10 -0.55 8.25 7.99 3ig4A1 ILE 177 HA -0.05 0.05 0.37 -0.75 4.18 3.80 3ig4A1 ILE 177 HB -0.03 0.07 0.08 -0.04 1.89 1.97 3ig4A1 ILE 177 HG12 0.02 0.03 -0.02 -0.04 1.49 1.48 3ig4A1 ILE 177 HG13 -0.00 0.09 -0.02 -0.04 1.21 1.23 3ig4A1 ILE 177 HG23 -0.00 -0.02 -0.08 -0.04 0.93 0.79 3ig4A1 ILE 177 HD13 0.02 -0.02 -0.13 -0.04 0.88 0.71 3ig4A1 GLU 178 H -0.11 0.42 -0.36 -0.55 8.60 8.00 3ig4A1 GLU 178 HA -0.05 0.01 0.51 -0.75 4.29 4.01 3ig4A1 GLU 178 HB2 -0.10 0.17 0.20 -0.04 2.09 2.32 3ig4A1 GLU 178 HB3 -0.07 -0.04 -0.00 -0.04 1.99 1.84 3ig4A1 GLU 178 HG2 -0.05 0.10 0.03 -0.04 2.34 2.38 3ig4A1 GLU 178 HG3 -0.05 -0.04 0.01 -0.04 2.34 2.23 3ig4A1 ILE 179 H -0.20 0.44 -0.09 -0.55 8.25 7.86 3ig4A1 ILE 179 HA -0.07 -0.02 0.36 -0.75 4.18 3.69 3ig4A1 ILE 179 HB -0.40 0.12 0.14 -0.04 1.89 1.71 3ig4A1 ILE 179 HG12 -0.09 -0.07 0.01 -0.04 1.49 1.30 3ig4A1 ILE 179 HG13 -0.21 0.16 0.13 -0.04 1.21 1.25 3ig4A1 ILE 179 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 3ig4A1 ILE 179 HD13 -0.14 -0.00 -0.00 -0.04 0.88 0.69 3ig4A1 ILE 180 H -0.13 0.52 -0.15 -0.55 8.25 7.94 3ig4A1 ILE 180 HA 0.06 0.02 0.30 -0.75 4.18 3.81 3ig4A1 ILE 180 HB 0.01 0.06 0.07 -0.04 1.89 1.99 3ig4A1 ILE 180 HG12 0.19 -0.01 -0.08 -0.04 1.49 1.55 3ig4A1 ILE 180 HG13 -0.07 0.10 0.00 -0.04 1.21 1.21 3ig4A1 ILE 180 HG23 0.08 0.02 -0.14 -0.04 0.93 0.85 3ig4A1 ILE 180 HD13 0.14 -0.01 -0.09 -0.04 0.88 0.88 3ig4A1 LYS 181 H -0.02 0.59 -0.20 -0.55 8.42 8.24 3ig4A1 LYS 181 HA 0.01 -0.01 0.44 -0.75 4.32 4.00 3ig4A1 LYS 181 HB2 -0.02 0.22 0.26 -0.04 1.87 2.28 3ig4A1 LYS 181 HB3 -0.01 -0.08 0.02 -0.04 1.79 1.68 3ig4A1 LYS 181 HG2 0.01 -0.03 0.10 -0.04 1.46 1.50 3ig4A1 LYS 181 HG3 -0.00 0.13 0.09 -0.04 1.46 1.64 3ig4A1 LYS 181 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.58 3ig4A1 LYS 181 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 3ig4A1 LYS 181 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 3ig4A1 LYS 181 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 3ig4A1 GLU 182 H -0.02 0.54 -0.19 -0.55 8.60 8.38 3ig4A1 GLU 182 HA -0.02 -0.01 0.45 -0.75 4.29 3.95 3ig4A1 GLU 182 HB2 -0.03 0.16 0.15 -0.04 2.09 2.33 3ig4A1 GLU 182 HB3 -0.03 -0.05 0.01 -0.04 1.99 1.87 3ig4A1 GLU 182 HG2 -0.03 -0.05 0.02 -0.04 2.34 2.23 3ig4A1 GLU 182 HG3 -0.04 0.21 0.02 -0.04 2.34 2.50 3ig4A1 ALA 183 H 0.01 0.64 -0.14 -0.55 8.40 8.36 3ig4A1 ALA 183 HA -0.01 -0.02 0.33 -0.75 4.34 3.88 3ig4A1 ALA 183 HB3 0.05 0.05 -0.05 -0.04 1.41 1.42 3ig4A1 ILE 184 H 0.02 0.68 -0.17 -0.55 8.25 8.24 3ig4A1 ILE 184 HA 0.04 -0.06 0.50 -0.75 4.18 3.90 3ig4A1 ILE 184 HB 0.02 0.19 0.17 -0.04 1.89 2.23 3ig4A1 ILE 184 HG12 0.06 -0.13 0.02 -0.04 1.49 1.40 3ig4A1 ILE 184 HG13 0.06 0.17 0.04 -0.04 1.21 1.43 3ig4A1 ILE 184 HG23 0.02 -0.02 -0.14 -0.04 0.93 0.75 3ig4A1 ILE 184 HD13 0.05 -0.02 -0.14 -0.04 0.88 0.73 3ig4A1 ALA 185 H -0.01 0.68 -0.08 -0.55 8.40 8.44 3ig4A1 ALA 185 HA -0.04 -0.03 0.40 -0.75 4.34 3.91 3ig4A1 ALA 185 HB3 -0.03 0.05 0.13 -0.04 1.41 1.53 3ig4A1 VAL 186 H -0.04 0.52 -0.20 -0.55 8.24 7.97 3ig4A1 VAL 186 HA -0.08 0.04 0.36 -0.75 4.13 3.69 3ig4A1 VAL 186 HB -0.07 0.06 0.09 -0.04 2.12 2.15 3ig4A1 VAL 186 HG13 -0.16 -0.01 -0.08 -0.04 0.97 0.68 3ig4A1 VAL 186 HG23 -0.07 0.06 0.03 -0.04 0.95 0.93 3ig4A1 THR 187 H -0.01 0.42 -0.29 -0.55 8.28 7.86 3ig4A1 THR 187 HA 0.11 -0.03 0.29 -0.75 4.39 4.01 3ig4A1 THR 187 HB 0.05 0.17 0.15 -0.04 4.32 4.65 3ig4A1 THR 187 HG23 0.17 -0.02 -0.14 -0.04 1.22 1.19 3ig4A1 LYS 188 H -0.07 0.63 -0.17 -0.55 8.42 8.26 3ig4A1 LYS 188 HA -0.28 -0.01 0.45 -0.75 4.32 3.72 3ig4A1 LYS 188 HB2 -0.19 -0.04 0.06 -0.04 1.87 1.65 3ig4A1 LYS 188 HB3 -0.17 0.22 0.18 -0.04 1.79 1.98 3ig4A1 LYS 188 HG2 -0.51 0.04 -0.23 -0.04 1.46 0.71 3ig4A1 LYS 188 HG3 -1.15 -0.08 -0.06 -0.04 1.46 0.13 3ig4A1 LYS 188 HD2 -0.20 0.03 -0.13 -0.04 1.69 1.35 3ig4A1 LYS 188 HD3 -0.16 -0.07 -0.20 -0.04 1.68 1.21 3ig4A1 LYS 188 HE2 -0.02 -0.07 -0.08 -0.04 2.99 2.78 3ig4A1 LYS 188 HE3 -0.09 0.05 -0.01 -0.04 2.99 2.90 3ig4A1 ASP 189 H -0.13 0.52 -0.09 -0.55 8.40 8.15 3ig4A1 ASP 189 HA -0.08 -0.03 0.35 -0.75 4.63 4.12 3ig4A1 ASP 189 HB2 -0.08 0.16 0.18 -0.04 2.71 2.93 3ig4A1 ASP 189 HB3 -0.03 -0.03 0.01 -0.04 2.70 2.61 3ig4A1 GLY 190 H -0.06 0.60 -0.21 -0.55 8.43 8.21 3ig4A1 GLY 190 HA2 -0.03 0.02 0.41 -0.51 4.01 3.90 3ig4A1 GLY 190 HA3 -0.10 0.03 0.30 -0.51 4.01 3.73 3ig4A1 ILE 191 H 0.03 0.57 -0.15 -0.55 8.25 8.15 3ig4A1 ILE 191 HA -0.01 -0.02 0.40 -0.75 4.18 3.80 3ig4A1 ILE 191 HB -0.31 0.10 0.20 -0.04 1.89 1.85 3ig4A1 ILE 191 HG12 -0.14 -0.07 -0.06 -0.04 1.49 1.18 3ig4A1 ILE 191 HG13 0.03 0.15 0.01 -0.04 1.21 1.36 3ig4A1 ILE 191 HG23 -0.71 -0.02 -0.16 -0.04 0.93 0.01 3ig4A1 ILE 191 HD13 -0.10 -0.02 -0.15 -0.04 0.88 0.57 3ig4A1 TYR 192 H -0.15 0.72 0.02 -0.55 8.29 8.33 3ig4A1 TYR 192 HA -0.27 -0.02 0.34 -0.75 4.56 3.85 3ig4A1 TYR 192 HB2 0.01 0.11 0.08 -0.04 3.06 3.21 3ig4A1 TYR 192 HB3 0.17 -0.02 0.01 -0.04 2.98 3.09 3ig4A1 TYR 192 HD2 -0.23 -0.03 -0.06 -0.04 7.15 6.79 3ig4A1 TYR 192 HE2 -0.17 -0.00 -0.00 -0.04 6.85 6.64 3ig4A1 ASN 193 H 0.14 0.44 -0.51 -0.55 8.53 8.05 3ig4A1 ASN 193 HA 0.24 0.02 0.42 -0.75 4.76 4.68 3ig4A1 ASN 193 HB2 0.13 0.08 0.10 -0.04 2.88 3.14 3ig4A1 ASN 193 HB3 0.13 0.13 0.07 -0.04 2.79 3.08 3ig4A1 ASN 193 HD21 0.03 -0.10 -0.00 -0.04 7.03 6.92 3ig4A1 ASN 193 HD22 0.10 0.41 0.03 -0.04 7.74 8.25 3ig4A1 VAL 194 H 0.12 0.52 -0.07 -0.55 8.24 8.25 3ig4A1 VAL 194 HA 0.13 -0.02 0.42 -0.75 4.13 3.90 3ig4A1 VAL 194 HB -0.05 0.20 0.18 -0.04 2.12 2.40 3ig4A1 VAL 194 HG13 0.03 -0.04 -0.20 -0.04 0.97 0.72 3ig4A1 VAL 194 HG23 0.16 0.06 0.00 -0.04 0.95 1.13 3ig4A1 LEU 195 H -0.07 0.61 -0.15 -0.55 8.37 8.22 3ig4A1 LEU 195 HA -0.27 -0.03 0.29 -0.75 4.35 3.59 3ig4A1 LEU 195 HB2 0.02 0.09 0.11 -0.04 1.64 1.81 3ig4A1 LEU 195 HB3 0.10 -0.00 -0.05 -0.04 1.64 1.65 3ig4A1 LEU 195 HG -0.39 0.09 -0.12 -0.04 1.64 1.18 3ig4A1 LEU 195 HD13 -0.29 -0.01 -0.07 -0.04 0.93 0.52 3ig4A1 LEU 195 HD23 -0.77 -0.02 -0.12 -0.04 0.89 -0.05 3ig4A1 LYS 196 H 0.18 0.50 -0.31 -0.55 8.42 8.24 3ig4A1 LYS 196 HA 0.02 0.04 0.30 -0.75 4.32 3.93 3ig4A1 LYS 196 HB2 -0.08 0.01 -0.07 -0.04 1.87 1.68 3ig4A1 LYS 196 HB3 0.15 0.11 0.08 -0.04 1.79 2.10 3ig4A1 LYS 196 HG2 0.12 0.09 -0.02 -0.04 1.46 1.61 3ig4A1 LYS 196 HG3 -0.38 -0.06 -0.18 -0.04 1.46 0.81 3ig4A1 LYS 196 HD2 -0.08 0.06 0.05 -0.04 1.69 1.68 3ig4A1 LYS 196 HD3 0.07 -0.05 -0.01 -0.04 1.68 1.64 3ig4A1 LYS 196 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 3ig4A1 LYS 196 HE3 -0.20 -0.01 0.04 -0.04 2.99 2.78 3ig4A1 HIS 197 H 0.18 0.36 -0.45 -0.55 8.41 7.95 3ig4A1 HIS 197 HA 0.04 0.13 0.98 -0.75 4.63 5.02 3ig4A1 HIS 197 HB2 0.06 0.10 0.06 -0.04 3.26 3.44 3ig4A1 HIS 197 HB3 0.04 -0.11 0.05 -0.04 3.20 3.14 3ig4A1 HIS 197 HD2 0.01 -0.06 0.02 -0.04 6.97 6.90 3ig4A1 HIS 197 HE1 0.04 -0.04 -0.03 -0.04 7.75 7.67 3ig4A1 ALA 198 H 0.13 0.32 -0.05 -0.55 8.40 8.25 3ig4A1 ALA 198 HA 0.15 -0.06 0.41 -0.75 4.34 4.09 3ig4A1 ALA 198 HB3 0.30 -0.01 0.02 -0.04 1.41 1.68 3ig4A1 LYS 199 H 0.08 0.18 0.22 -0.55 8.42 8.35 3ig4A1 LYS 199 HA 0.05 0.22 0.33 -0.75 4.32 4.16 3ig4A1 LYS 199 HB2 0.02 -0.09 0.18 -0.04 1.87 1.94 3ig4A1 LYS 199 HB3 0.04 0.14 0.00 -0.04 1.79 1.93 3ig4A1 LYS 199 HG2 0.05 0.01 -0.07 -0.04 1.46 1.41 3ig4A1 LYS 199 HG3 0.03 0.09 -0.20 -0.04 1.46 1.34 3ig4A1 LYS 199 HD2 0.02 -0.03 0.01 -0.04 1.69 1.64 3ig4A1 LYS 199 HD3 0.03 -0.02 -0.03 -0.04 1.68 1.61 3ig4A1 LYS 199 HE2 0.03 -0.05 -0.02 -0.04 2.99 2.91 3ig4A1 LYS 199 HE3 0.02 0.18 -0.01 -0.04 2.99 3.14 3ig4A1 ALA 200 H 0.01 0.13 0.07 -0.55 8.40 8.06 3ig4A1 ALA 200 HA -0.01 0.07 0.42 -0.75 4.34 4.07 3ig4A1 ALA 200 HB3 -0.01 -0.04 0.04 -0.04 1.41 1.35 3ig4A1 ASP 201 H -0.01 0.42 0.18 -0.55 8.40 8.43 3ig4A1 ASP 201 HA -0.01 -0.00 0.26 -0.75 4.63 4.12 3ig4A1 ASP 201 HB2 -0.00 0.21 -0.29 -0.04 2.71 2.60 3ig4A1 ASP 201 HB3 -0.00 0.01 0.12 -0.04 2.70 2.78 3ig4A1 GLU 204 HA -0.01 -0.05 0.24 -0.75 4.29 3.71 3ig4A1 GLU 204 HB2 0.03 -0.13 -0.17 -0.04 2.09 1.77 3ig4A1 GLU 204 HB3 0.09 0.09 -0.02 -0.04 1.99 2.11 3ig4A1 GLU 204 HG2 0.05 0.03 0.01 -0.04 2.34 2.39 3ig4A1 GLU 204 HG3 0.00 0.07 -0.01 -0.04 2.34 2.36 3ig4A1 TYR 205 H -0.29 0.30 0.24 -0.55 8.29 7.99 3ig4A1 TYR 205 HA 0.05 -0.00 0.59 -0.75 4.56 4.45 3ig4A1 TYR 205 HB2 0.03 -0.06 0.15 -0.04 3.06 3.14 3ig4A1 TYR 205 HB3 0.03 0.27 0.25 -0.04 2.98 3.49 3ig4A1 TYR 205 HD2 0.03 0.05 -0.16 -0.04 7.15 7.03 3ig4A1 TYR 205 HE2 0.02 -0.00 -0.01 -0.04 6.85 6.82 3ig4A1 GLU 206 H -0.19 0.20 -0.20 -0.55 8.60 7.86 3ig4A1 GLU 206 HA 0.18 0.09 0.56 -0.75 4.29 4.37 3ig4A1 GLU 206 HB2 -0.02 0.02 0.07 -0.04 2.09 2.12 3ig4A1 GLU 206 HB3 0.05 0.07 0.02 -0.04 1.99 2.08 3ig4A1 GLU 206 HG2 0.16 0.01 0.04 -0.04 2.34 2.51 3ig4A1 GLU 206 HG3 -0.05 -0.04 0.06 -0.04 2.34 2.27 3ig4A1 LEU 207 H 0.06 0.29 -0.27 -0.55 8.37 7.90 3ig4A1 LEU 207 HA 0.10 0.15 0.57 -0.75 4.35 4.41 3ig4A1 LEU 207 HB2 0.10 0.14 0.09 -0.04 1.64 1.93 3ig4A1 LEU 207 HB3 0.15 -0.02 -0.08 -0.04 1.64 1.65 3ig4A1 LEU 207 HG 0.09 -0.04 -0.09 -0.04 1.64 1.56 3ig4A1 LEU 207 HD13 0.20 -0.01 -0.07 -0.04 0.93 1.01 3ig4A1 LEU 207 HD23 0.16 0.01 -0.10 -0.04 0.89 0.91 3ig4A1 GLU 208 H 0.12 0.41 0.01 -0.55 8.60 8.59 3ig4A1 GLU 208 HA 0.15 0.03 0.45 -0.75 4.29 4.17 3ig4A1 GLU 208 HB2 0.10 0.04 0.07 -0.04 2.09 2.27 3ig4A1 GLU 208 HB3 0.14 0.08 0.15 -0.04 1.99 2.32 3ig4A1 GLU 208 HG2 0.11 -0.04 -0.12 -0.04 2.34 2.24 3ig4A1 GLU 208 HG3 0.09 -0.04 0.02 -0.04 2.34 2.36 3ig4A1 ALA 209 H 0.13 0.47 -0.37 -0.55 8.40 8.08 3ig4A1 ALA 209 HA 0.11 -0.01 0.34 -0.75 4.34 4.02 3ig4A1 ALA 209 HB3 0.08 0.08 0.09 -0.04 1.41 1.61 3ig4A1 GLN 210 H 0.08 0.30 -0.36 -0.55 8.47 7.95 3ig4A1 GLN 210 HA 0.01 0.01 0.35 -0.75 4.36 3.97 3ig4A1 GLN 210 HB2 0.07 0.14 0.06 -0.04 2.15 2.38 3ig4A1 GLN 210 HB3 -0.02 -0.01 -0.13 -0.04 2.02 1.82 3ig4A1 GLN 210 HG2 -0.06 0.08 0.07 -0.04 2.40 2.45 3ig4A1 GLN 210 HG3 -0.07 0.04 -0.01 -0.04 2.39 2.30 3ig4A1 GLN 210 HE21 -0.47 -0.03 -0.02 -0.04 6.97 6.41 3ig4A1 GLN 210 HE22 -0.19 0.03 -0.01 -0.04 7.69 7.47 3ig4A1 PHE 211 H 0.25 0.36 -0.32 -0.55 8.34 8.08 3ig4A1 PHE 211 HA 0.05 0.12 0.54 -0.75 4.62 4.57 3ig4A1 PHE 211 HB2 0.05 0.04 0.03 -0.04 3.15 3.23 3ig4A1 PHE 211 HB3 0.06 0.09 0.15 -0.04 3.06 3.32 3ig4A1 PHE 211 HD2 0.05 0.06 -0.24 -0.04 7.28 7.11 3ig4A1 PHE 211 HE2 0.07 0.06 -0.07 -0.04 7.38 7.39 3ig4A1 PHE 211 HZ -0.01 -0.12 -0.17 -0.04 7.32 6.98 3ig4A1 ASP 212 H 0.23 0.67 0.03 -0.55 8.40 8.79 3ig4A1 ASP 212 HA 0.06 -0.02 0.44 -0.75 4.63 4.35 3ig4A1 ASP 212 HB2 0.13 0.14 0.14 -0.04 2.71 3.07 3ig4A1 ASP 212 HB3 0.11 -0.04 0.00 -0.04 2.70 2.74 3ig4A1 PHE 213 H 0.17 0.59 -0.25 -0.55 8.34 8.29 3ig4A1 PHE 213 HA -0.05 -0.03 0.26 -0.75 4.62 4.05 3ig4A1 PHE 213 HB2 -0.03 0.04 0.08 -0.04 3.15 3.20 3ig4A1 PHE 213 HB3 -0.05 0.13 0.09 -0.04 3.06 3.19 3ig4A1 PHE 213 HD2 -0.04 0.03 -0.08 -0.04 7.28 7.15 3ig4A1 PHE 213 HE2 -0.02 -0.01 -0.04 -0.04 7.38 7.27 3ig4A1 PHE 213 HZ -0.01 -0.02 -0.02 -0.04 7.32 7.23 3ig4A1 THR 214 H -0.01 0.41 -0.27 -0.55 8.28 7.86 3ig4A1 THR 214 HA -0.20 0.02 0.37 -0.75 4.39 3.82 3ig4A1 THR 214 HB -0.21 0.08 0.12 -0.04 4.32 4.26 3ig4A1 THR 214 HG23 -0.10 -0.03 -0.27 -0.04 1.22 0.78 3ig4A1 LEU 215 H -0.36 0.43 -0.16 -0.55 8.37 7.73 3ig4A1 LEU 215 HA -0.27 -0.01 0.44 -0.75 4.35 3.75 3ig4A1 LEU 215 HB2 -0.42 0.11 0.16 -0.04 1.64 1.44 3ig4A1 LEU 215 HB3 -0.38 0.06 -0.09 -0.04 1.64 1.20 3ig4A1 LEU 215 HG -0.32 -0.07 -0.02 -0.04 1.64 1.19 3ig4A1 LEU 215 HD13 -0.77 0.02 -0.11 -0.04 0.93 0.04 3ig4A1 LEU 215 HD23 -0.45 -0.02 -0.10 -0.04 0.89 0.28 3ig4A1 LYS 216 H -0.21 0.73 0.01 -0.55 8.42 8.39 3ig4A1 LYS 216 HA -0.17 0.18 0.34 -0.75 4.32 3.92 3ig4A1 LYS 216 HB2 -0.09 0.04 0.07 -0.04 1.87 1.85 3ig4A1 LYS 216 HB3 -0.17 0.01 0.04 -0.04 1.79 1.63 3ig4A1 LYS 216 HG2 -0.04 -0.05 -0.03 -0.04 1.46 1.29 3ig4A1 LYS 216 HG3 -0.10 -0.04 -0.10 -0.04 1.46 1.18 3ig4A1 LYS 216 HD2 -0.11 0.00 -0.02 -0.04 1.69 1.52 3ig4A1 LYS 216 HD3 -0.09 0.06 0.00 -0.04 1.68 1.61 3ig4A1 LYS 216 HE2 -0.02 -0.04 -0.00 -0.04 2.99 2.88 3ig4A1 LYS 216 HE3 -0.05 -0.05 -0.01 -0.04 2.99 2.83 3ig4A1 SER 217 H -0.41 0.61 -0.18 -0.55 8.46 7.94 3ig4A1 SER 217 HA -0.23 0.03 0.42 -0.75 4.49 3.96 3ig4A1 SER 217 HB2 -0.32 -0.07 0.10 -0.04 3.95 3.62 3ig4A1 SER 217 HB3 -0.59 -0.08 0.09 -0.04 3.93 3.32 3ig4A1 SER 218 H -0.21 0.33 -0.63 -0.55 8.46 7.40 3ig4A1 SER 218 HA -0.12 0.12 0.86 -0.75 4.49 4.60 3ig4A1 SER 218 HB2 -0.16 0.07 0.15 -0.04 3.95 3.97 3ig4A1 SER 218 HB3 -0.11 -0.11 0.19 -0.04 3.93 3.86 3ig4A1 GLY 219 H -0.14 0.49 -0.36 -0.55 8.43 7.87 3ig4A1 GLY 219 HA2 -0.10 0.02 0.30 -0.51 4.01 3.71 3ig4A1 GLY 219 HA3 -0.09 0.02 0.48 -0.51 4.01 3.91 3ig4A1 ILE 220 H -0.16 0.34 -0.28 -0.55 8.25 7.60 3ig4A1 ILE 220 HA -0.14 -0.05 0.47 -0.75 4.18 3.71 3ig4A1 ILE 220 HB -0.20 0.16 0.09 -0.04 1.89 1.90 3ig4A1 ILE 220 HG12 -0.14 -0.09 -0.03 -0.04 1.49 1.19 3ig4A1 ILE 220 HG13 -0.11 0.08 -0.04 -0.04 1.21 1.10 3ig4A1 ILE 220 HG23 -0.24 -0.03 -0.17 -0.04 0.93 0.45 3ig4A1 ILE 220 HD13 -0.10 0.01 -0.10 -0.04 0.88 0.64 3ig4A1 LYS 221 H -0.19 0.07 0.30 -0.55 8.42 8.05 3ig4A1 LYS 221 HA -0.25 0.11 0.35 -0.75 4.32 3.78 3ig4A1 LYS 221 HB2 -0.27 -0.05 0.22 -0.04 1.87 1.74 3ig4A1 LYS 221 HB3 -0.87 -0.01 0.01 -0.04 1.79 0.87 3ig4A1 LYS 221 HG2 -0.21 -0.03 0.06 -0.04 1.46 1.24 3ig4A1 LYS 221 HG3 -0.16 0.09 0.02 -0.04 1.46 1.37 3ig4A1 LYS 221 HD2 -0.08 -0.03 0.05 -0.04 1.69 1.59 3ig4A1 LYS 221 HD3 -0.06 -0.02 0.04 -0.04 1.68 1.60 3ig4A1 LYS 221 HE2 -0.08 0.05 0.07 -0.04 2.99 2.99 3ig4A1 LYS 221 HE3 -0.10 0.01 0.11 -0.04 2.99 2.97 3ig4A1 HIS 222 H -0.14 0.12 0.05 -0.55 8.41 7.90 3ig4A1 HIS 222 HA 0.02 0.23 1.01 -0.75 4.63 5.14 3ig4A1 HIS 222 HB2 -0.00 -0.03 -0.07 -0.04 3.26 3.12 3ig4A1 HIS 222 HB3 0.04 0.08 0.04 -0.04 3.20 3.32 3ig4A1 HIS 222 HD2 -0.02 -0.06 -0.04 -0.04 6.97 6.80 3ig4A1 HIS 222 HE1 0.06 -0.02 -0.04 -0.04 7.75 7.71 3ig4A1 HIS 223 H 0.30 0.14 0.12 -0.55 8.41 8.43 3ig4A1 HIS 223 HA 0.01 0.10 0.93 -0.75 4.63 4.91 3ig4A1 HIS 223 HB2 -0.02 -0.01 0.07 -0.04 3.26 3.26 3ig4A1 HIS 223 HB3 -0.12 0.06 0.18 -0.04 3.20 3.28 3ig4A1 HIS 223 HD2 0.22 -0.05 0.01 -0.04 6.97 7.10 3ig4A1 HIS 223 HE1 -0.01 0.04 -0.03 -0.04 7.75 7.70 3ig4A1 ALA 224 H 0.04 0.58 -0.02 -0.55 8.40 8.46 3ig4A1 ALA 224 HA 0.14 0.04 0.28 -0.75 4.34 4.05 3ig4A1 ALA 224 HB3 0.28 -0.02 -0.07 -0.04 1.41 1.56 3ig4A1 PHE 225 H -0.27 0.23 -0.16 -0.55 8.34 7.59 3ig4A1 PHE 225 HA -0.02 0.13 0.46 -0.75 4.62 4.44 3ig4A1 PHE 225 HB2 -0.10 -0.07 0.02 -0.04 3.15 2.96 3ig4A1 PHE 225 HB3 -0.09 0.08 -0.23 -0.04 3.06 2.77 3ig4A1 PHE 225 HD2 -0.02 0.06 -0.38 -0.04 7.28 6.90 3ig4A1 PHE 225 HE2 0.05 0.15 -0.35 -0.04 7.38 7.19 3ig4A1 PHE 225 HZ 0.06 0.06 -0.34 -0.04 7.32 7.05 3ig4A1 ASN 226 H 0.15 0.13 0.04 -0.55 8.53 8.30 3ig4A1 ASN 226 HA -0.09 0.03 0.56 -0.75 4.76 4.51 3ig4A1 ASN 226 HB2 0.03 -0.02 0.11 -0.04 2.88 2.96 3ig4A1 ASN 226 HB3 -0.01 0.12 -0.02 -0.04 2.79 2.84 3ig4A1 ASN 226 HD21 -0.01 -0.00 -0.03 -0.04 7.03 6.95 3ig4A1 ASN 226 HD22 -0.05 0.03 0.02 -0.04 7.74 7.69 3ig4A1 THR 227 H -0.19 0.08 0.22 -0.55 8.28 7.85 3ig4A1 THR 227 HA -0.19 0.06 0.45 -0.75 4.39 3.96 3ig4A1 THR 227 HB -0.06 -0.03 0.08 -0.04 4.32 4.27 3ig4A1 THR 227 HG23 -0.11 -0.02 -0.20 -0.04 1.22 0.85 3ig4A1 ILE 228 H 0.09 0.78 0.42 -0.55 8.25 8.99 3ig4A1 ILE 228 HA 0.12 0.20 0.95 -0.75 4.18 4.69 3ig4A1 ILE 228 HB 0.20 -0.06 0.29 -0.04 1.89 2.28 3ig4A1 ILE 228 HG12 0.18 0.16 -0.16 -0.04 1.49 1.63 3ig4A1 ILE 228 HG13 0.19 0.13 -0.14 -0.04 1.21 1.36 3ig4A1 ILE 228 HG23 0.22 0.03 -0.14 -0.04 0.93 1.00 3ig4A1 ILE 228 HD13 0.24 0.00 0.01 -0.04 0.88 1.09 3ig4A1 LEU 229 H 0.18 0.17 -0.07 -0.55 8.37 8.10 3ig4A1 LEU 229 HA 0.12 0.30 0.90 -0.75 4.35 4.92 3ig4A1 LEU 229 HB2 0.08 0.00 -0.23 -0.04 1.64 1.45 3ig4A1 LEU 229 HB3 0.13 -0.08 0.11 -0.04 1.64 1.76 3ig4A1 LEU 229 HG 0.10 0.08 -0.05 -0.04 1.64 1.74 3ig4A1 LEU 229 HD13 0.09 -0.00 -0.17 -0.04 0.93 0.80 3ig4A1 LEU 229 HD23 0.10 -0.01 -0.15 -0.04 0.89 0.80 3ig4A1 ALA 230 H 0.12 0.70 0.07 -0.55 8.40 8.75 3ig4A1 ALA 230 HA -0.03 0.02 0.53 -0.75 4.34 4.11 3ig4A1 ALA 230 HB3 -0.01 0.01 -0.23 -0.04 1.41 1.14 3ig4A1 SER 231 H -0.09 0.13 0.19 -0.55 8.46 8.14 3ig4A1 SER 231 HA -0.09 0.38 0.89 -0.75 4.49 4.91 3ig4A1 SER 231 HB2 -0.08 -0.05 0.07 -0.04 3.95 3.86 3ig4A1 SER 231 HB3 -0.05 0.07 -0.01 -0.04 3.93 3.89 3ig4A1 GLY 232 H -0.08 0.37 0.33 -0.55 8.43 8.51 3ig4A1 GLY 232 HA2 -0.04 0.14 0.52 -0.51 4.01 4.11 3ig4A1 GLY 232 HA3 -0.05 -0.06 0.49 -0.51 4.01 3.89 3ig4A1 LYS 233 H -0.04 0.12 0.26 -0.55 8.42 8.21 3ig4A1 LYS 233 HA -0.00 0.03 0.24 -0.75 4.32 3.84 3ig4A1 LYS 233 HB2 -0.01 0.03 0.17 -0.04 1.87 2.02 3ig4A1 LYS 233 HB3 -0.03 -0.00 0.09 -0.04 1.79 1.82 3ig4A1 LYS 233 HG2 0.00 -0.02 -0.06 -0.04 1.46 1.34 3ig4A1 LYS 233 HG3 0.02 0.01 0.12 -0.04 1.46 1.57 3ig4A1 LYS 233 HD2 0.01 0.03 0.04 -0.04 1.69 1.74 3ig4A1 LYS 233 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 3ig4A1 LYS 233 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 3ig4A1 LYS 233 HE3 0.03 0.03 0.03 -0.04 2.99 3.03 3ig4A1 ASN 234 H -0.14 0.37 -0.13 -0.55 8.53 8.08 3ig4A1 ASN 234 HA -0.25 0.01 0.37 -0.75 4.76 4.13 3ig4A1 ASN 234 HB2 -0.45 0.16 0.04 -0.04 2.88 2.58 3ig4A1 ASN 234 HB3 -1.62 -0.05 -0.01 -0.04 2.79 1.07 3ig4A1 ASN 234 HD21 -0.02 -0.03 0.03 -0.04 7.03 6.97 3ig4A1 ASN 234 HD22 -0.15 0.02 0.07 -0.04 7.74 7.63 3ig4A1 ALA 235 H -0.10 0.39 -0.68 -0.55 8.40 7.47 3ig4A1 ALA 235 HA -0.00 0.06 0.13 -0.75 4.34 3.78 3ig4A1 ALA 235 HB3 0.05 0.06 -0.04 -0.04 1.41 1.44 3ig4A1 THR 236 H 0.01 0.32 -1.05 -0.55 8.28 7.01 3ig4A1 THR 236 HA 0.20 0.03 0.37 -0.75 4.39 4.25 3ig4A1 THR 236 HB 0.04 0.32 0.05 -0.04 4.32 4.69 3ig4A1 THR 236 HG23 0.10 -0.03 -0.19 -0.04 1.22 1.06 3ig4A1 VAL 237 H 0.00 0.66 -0.07 -0.55 8.24 8.28 3ig4A1 VAL 237 HA 0.02 0.09 0.75 -0.75 4.13 4.24 3ig4A1 VAL 237 HB 0.16 0.03 0.15 -0.04 2.12 2.42 3ig4A1 VAL 237 HG13 0.10 -0.06 -0.15 -0.04 0.97 0.82 3ig4A1 VAL 237 HG23 0.06 0.00 -0.01 -0.04 0.95 0.97 3ig4A1 LEU 238 H -0.05 0.13 0.08 -0.55 8.37 7.98 3ig4A1 LEU 238 HA -0.16 0.16 0.07 -0.75 4.35 3.66 3ig4A1 LEU 238 HB2 -0.20 -0.07 0.11 -0.04 1.64 1.44 3ig4A1 LEU 238 HB3 -0.45 0.03 -0.09 -0.04 1.64 1.09 3ig4A1 LEU 238 HG -0.34 0.03 -0.07 -0.04 1.64 1.21 3ig4A1 LEU 238 HD13 -0.54 0.02 -0.12 -0.04 0.93 0.25 3ig4A1 LEU 238 HD23 -0.00 -0.02 -0.06 -0.04 0.89 0.77 3ig4A1 HIS 239 H 0.01 0.00 -0.20 -0.55 8.41 7.68 3ig4A1 HIS 239 HA 0.07 0.34 0.85 -0.75 4.63 5.13 3ig4A1 HIS 239 HB2 0.03 -0.07 0.01 -0.04 3.26 3.18 3ig4A1 HIS 239 HB3 0.04 0.02 0.10 -0.04 3.20 3.32 3ig4A1 HIS 239 HD2 0.01 0.21 -0.20 -0.04 6.97 6.95 3ig4A1 HIS 239 HE1 0.03 -0.01 -0.08 -0.04 7.75 7.65 3ig4A1 TYR 240 H 0.24 0.40 -0.49 -0.55 8.29 7.89 3ig4A1 TYR 240 HA 0.06 -0.11 0.43 -0.75 4.56 4.18 3ig4A1 TYR 240 HB2 0.05 0.02 0.09 -0.04 3.06 3.17 3ig4A1 TYR 240 HB3 0.06 0.16 -0.00 -0.04 2.98 3.16 3ig4A1 TYR 240 HD2 0.05 0.05 -0.15 -0.04 7.15 7.06 3ig4A1 TYR 240 HE2 0.04 0.15 -0.07 -0.04 6.85 6.93 3ig4A1 GLU 241 H -0.26 -0.06 0.24 -0.55 8.60 7.97 3ig4A1 GLU 241 HA -0.11 0.31 0.94 -0.75 4.29 4.67 3ig4A1 GLU 241 HB2 -0.06 -0.08 0.04 -0.04 2.09 1.94 3ig4A1 GLU 241 HB3 -0.06 -0.00 0.04 -0.04 1.99 1.93 3ig4A1 GLU 241 HG2 0.02 0.16 -0.17 -0.04 2.34 2.31 3ig4A1 GLU 241 HG3 0.04 0.41 -0.32 -0.04 2.34 2.43 3ig4A1 ASP 242 H -0.62 -0.05 0.12 -0.55 8.40 7.30 3ig4A1 ASP 242 HA -0.14 0.12 0.36 -0.75 4.63 4.22 3ig4A1 ASP 242 HB2 -0.41 -0.09 0.10 -0.04 2.71 2.27 3ig4A1 ASP 242 HB3 -0.06 0.02 0.00 -0.04 2.70 2.62 3ig4A1 ASN 243 H -0.60 0.02 -0.26 -0.55 8.53 7.13 3ig4A1 ASN 243 HA 0.19 0.08 0.26 -0.75 4.76 4.53 3ig4A1 ASN 243 HB2 0.04 0.23 -0.20 -0.04 2.88 2.91 3ig4A1 ASN 243 HB3 0.11 -0.09 0.08 -0.04 2.79 2.85 3ig4A1 ASN 243 HD21 0.02 0.38 -0.09 -0.04 7.03 7.29 3ig4A1 ASN 243 HD22 0.03 -0.07 -0.06 -0.04 7.74 7.59 3ig4A1 ASP 244 H 0.11 -0.07 -0.45 -0.55 8.40 7.45 3ig4A1 ASP 244 HA 0.20 0.20 0.98 -0.75 4.63 5.25 3ig4A1 ASP 244 HB2 0.20 -0.02 0.18 -0.04 2.71 3.03 3ig4A1 ASP 244 HB3 0.18 0.17 -0.05 -0.04 2.70 2.95 3ig4A1 ALA 245 H 0.10 0.11 -0.05 -0.55 8.40 8.02 3ig4A1 ALA 245 HA 0.04 0.19 0.90 -0.75 4.34 4.72 3ig4A1 ALA 245 HB3 0.07 -0.01 0.04 -0.04 1.41 1.47 3ig4A1 GLN 246 H -0.00 0.10 0.14 -0.55 8.47 8.16 3ig4A1 GLN 246 HA -0.07 0.20 0.69 -0.75 4.36 4.42 3ig4A1 GLN 246 HB2 -0.02 0.03 0.06 -0.04 2.15 2.19 3ig4A1 GLN 246 HB3 -0.01 -0.04 0.02 -0.04 2.02 1.94 3ig4A1 GLN 246 HG2 -0.03 0.05 -0.05 -0.04 2.40 2.33 3ig4A1 GLN 246 HG3 -0.04 0.05 -0.02 -0.04 2.39 2.34 3ig4A1 GLN 246 HE21 -0.00 0.03 0.02 -0.04 6.97 6.98 3ig4A1 GLN 246 HE22 -0.01 -0.03 0.04 -0.04 7.69 7.65 3ig4A1 ILE 247 H -0.05 0.21 0.29 -0.55 8.25 8.16 3ig4A1 ILE 247 HA -0.04 0.03 0.66 -0.75 4.18 4.07 3ig4A1 ILE 247 HB -0.03 0.03 0.19 -0.04 1.89 2.04 3ig4A1 ILE 247 HG12 -0.04 -0.07 -0.02 -0.04 1.49 1.32 3ig4A1 ILE 247 HG13 -0.04 0.08 0.02 -0.04 1.21 1.24 3ig4A1 ILE 247 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.66 3ig4A1 ILE 247 HD13 0.00 0.02 -0.05 -0.04 0.88 0.81 3ig4A1 GLN 248 H -0.04 0.15 0.19 -0.55 8.47 8.22 3ig4A1 GLN 248 HA -0.02 0.06 0.64 -0.75 4.36 4.29 3ig4A1 GLN 248 HB2 -0.03 -0.07 0.13 -0.04 2.15 2.15 3ig4A1 GLN 248 HB3 -0.02 0.13 0.05 -0.04 2.02 2.14 3ig4A1 GLN 248 HG2 -0.02 0.06 0.05 -0.04 2.40 2.46 3ig4A1 GLN 248 HG3 -0.02 0.02 0.05 -0.04 2.39 2.41 3ig4A1 GLN 248 HE21 -0.01 0.01 -0.02 -0.04 6.97 6.91 3ig4A1 GLN 248 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.64 3ig4A1 ASN 249 H -0.02 0.15 0.20 -0.55 8.53 8.31 3ig4A1 ASN 249 HA -0.03 0.03 0.52 -0.75 4.76 4.53 3ig4A1 ASN 249 HB2 -0.01 0.03 0.16 -0.04 2.88 3.02 3ig4A1 ASN 249 HB3 -0.01 0.01 0.15 -0.04 2.79 2.90 3ig4A1 ASN 249 HD21 -0.01 0.05 -0.03 -0.04 7.03 7.00 3ig4A1 ASN 249 HD22 -0.01 -0.02 -0.07 -0.04 7.74 7.60 3ig4A1 GLY 250 H -0.05 0.12 0.21 -0.55 8.43 8.16 3ig4A1 GLY 250 HA2 -0.05 0.02 0.39 -0.51 4.01 3.86 3ig4A1 GLY 250 HA3 -0.03 0.16 0.69 -0.51 4.01 4.32 3ig4A1 ASP 251 H -0.06 0.50 -0.34 -0.55 8.40 7.96 3ig4A1 ASP 251 HA -0.07 0.06 0.62 -0.75 4.63 4.49 3ig4A1 ASP 251 HB2 -0.07 0.36 0.20 -0.04 2.71 3.15 3ig4A1 ASP 251 HB3 -0.10 -0.02 0.02 -0.04 2.70 2.55 3ig4A1 LEU 252 H -0.09 0.16 0.35 -0.55 8.37 8.24 3ig4A1 LEU 252 HA -0.27 0.12 0.92 -0.75 4.35 4.37 3ig4A1 LEU 252 HB2 -0.07 -0.03 0.22 -0.04 1.64 1.73 3ig4A1 LEU 252 HB3 -0.07 0.11 0.04 -0.04 1.64 1.67 3ig4A1 LEU 252 HG -0.09 0.09 -0.12 -0.04 1.64 1.48 3ig4A1 LEU 252 HD13 -0.29 -0.01 -0.08 -0.04 0.93 0.51 3ig4A1 LEU 252 HD23 0.08 0.00 -0.05 -0.04 0.89 0.88 3ig4A1 VAL 253 H -0.53 0.99 0.39 -0.55 8.24 8.55 3ig4A1 VAL 253 HA -0.17 0.16 1.06 -0.75 4.13 4.43 3ig4A1 VAL 253 HB -1.52 0.05 0.01 -0.04 2.12 0.62 3ig4A1 VAL 253 HG13 0.09 -0.00 -0.38 -0.04 0.97 0.64 3ig4A1 VAL 253 HG23 -0.27 -0.03 -0.22 -0.04 0.95 0.40 3ig4A1 LEU 254 H 0.00 0.52 0.16 -0.55 8.37 8.51 3ig4A1 LEU 254 HA 0.14 0.14 0.92 -0.75 4.35 4.80 3ig4A1 LEU 254 HB2 0.08 0.07 0.03 -0.04 1.64 1.78 3ig4A1 LEU 254 HB3 0.09 -0.07 0.17 -0.04 1.64 1.79 3ig4A1 LEU 254 HG 0.15 -0.03 -0.08 -0.04 1.64 1.63 3ig4A1 LEU 254 HD13 0.20 0.01 -0.28 -0.04 0.93 0.82 3ig4A1 LEU 254 HD23 0.16 0.00 -0.48 -0.04 0.89 0.54 3ig4A1 LEU 255 H 0.25 0.97 0.39 -0.55 8.37 9.43 3ig4A1 LEU 255 HA 0.12 0.26 1.01 -0.75 4.35 4.98 3ig4A1 LEU 255 HB2 0.22 -0.03 0.22 -0.04 1.64 2.00 3ig4A1 LEU 255 HB3 0.01 -0.03 0.01 -0.04 1.64 1.59 3ig4A1 LEU 255 HG 0.47 0.04 -0.13 -0.04 1.64 1.98 3ig4A1 LEU 255 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.81 3ig4A1 LEU 255 HD23 0.15 0.00 -0.14 -0.04 0.89 0.87 3ig4A1 ASP 256 H 0.11 0.62 0.24 -0.55 8.40 8.82 3ig4A1 ASP 256 HA 0.20 0.27 0.83 -0.75 4.63 5.18 3ig4A1 ASP 256 HB2 0.18 -0.01 -0.08 -0.04 2.71 2.77 3ig4A1 ASP 256 HB3 0.24 -0.03 0.17 -0.04 2.70 3.05 3ig4A1 LEU 257 H 0.23 0.77 0.27 -0.55 8.37 9.09 3ig4A1 LEU 257 HA -0.53 0.11 0.58 -0.75 4.35 3.75 3ig4A1 LEU 257 HB2 -0.41 -0.07 0.04 -0.04 1.64 1.15 3ig4A1 LEU 257 HB3 -0.33 0.04 -0.04 -0.04 1.64 1.27 3ig4A1 LEU 257 HG -0.18 -0.10 -0.41 -0.04 1.64 0.91 3ig4A1 LEU 257 HD13 -0.15 0.03 -0.19 -0.04 0.93 0.59 3ig4A1 LEU 257 HD23 -1.36 0.01 -0.13 -0.04 0.89 -0.63 3ig4A1 GLY 258 H -0.13 0.23 0.11 -0.55 8.43 8.09 3ig4A1 GLY 258 HA2 0.17 -0.02 0.33 -0.51 4.01 3.98 3ig4A1 GLY 258 HA3 0.20 0.30 0.30 -0.51 4.01 4.30 3ig4A1 ALA 259 H 0.10 0.15 0.15 -0.55 8.40 8.25 3ig4A1 ALA 259 HA -0.09 0.15 0.77 -0.75 4.34 4.43 3ig4A1 ALA 259 HB3 -0.07 0.06 0.06 -0.04 1.41 1.42 3ig4A1 GLN 260 H -0.06 0.51 0.22 -0.55 8.47 8.59 3ig4A1 GLN 260 HA 0.06 0.27 0.92 -0.75 4.36 4.86 3ig4A1 GLN 260 HB2 0.08 -0.02 -0.41 -0.04 2.15 1.76 3ig4A1 GLN 260 HB3 0.06 0.02 -0.32 -0.04 2.02 1.74 3ig4A1 GLN 260 HG2 0.02 -0.22 -0.57 -0.04 2.40 1.60 3ig4A1 GLN 260 HG3 0.08 0.18 -0.60 -0.04 2.39 2.00 3ig4A1 GLN 260 HE21 0.04 -0.01 -0.11 -0.04 6.97 6.84 3ig4A1 GLN 260 HE22 0.07 0.03 -0.23 -0.04 7.69 7.52 3ig4A1 LYS 261 H 0.05 0.57 0.11 -0.55 8.42 8.60 3ig4A1 LYS 261 HA -0.06 0.11 0.90 -0.75 4.32 4.53 3ig4A1 LYS 261 HB2 -0.02 -0.02 -0.13 -0.04 1.87 1.67 3ig4A1 LYS 261 HB3 0.02 0.06 0.05 -0.04 1.79 1.88 3ig4A1 LYS 261 HG2 -0.03 -0.01 -0.07 -0.04 1.46 1.31 3ig4A1 LYS 261 HG3 -0.02 -0.00 -0.17 -0.04 1.46 1.23 3ig4A1 LYS 261 HD2 -0.06 -0.04 0.06 -0.04 1.69 1.60 3ig4A1 LYS 261 HD3 -0.06 0.02 -0.06 -0.04 1.68 1.54 3ig4A1 LYS 261 HE2 -0.05 0.08 -0.02 -0.04 2.99 2.96 3ig4A1 LYS 261 HE3 -0.04 -0.01 -0.04 -0.04 2.99 2.85 3ig4A1 ASP 262 H -0.14 0.18 0.13 -0.55 8.40 8.03 3ig4A1 ASP 262 HA -0.35 0.05 0.33 -0.75 4.63 3.91 3ig4A1 ASP 262 HB2 0.08 0.07 -0.17 -0.04 2.71 2.65 3ig4A1 ASP 262 HB3 0.13 0.04 0.19 -0.04 2.70 3.01 3ig4A1 TYR 263 H -0.28 0.05 -0.47 -0.55 8.29 7.05 3ig4A1 TYR 263 HA -0.07 0.01 0.16 -0.75 4.56 3.91 3ig4A1 TYR 263 HB2 -0.23 0.18 0.00 -0.04 3.06 2.97 3ig4A1 TYR 263 HB3 -0.27 -0.01 0.07 -0.04 2.98 2.73 3ig4A1 TYR 263 HD2 -0.36 0.07 -0.14 -0.04 7.15 6.69 3ig4A1 TYR 263 HE2 -0.11 0.02 -0.04 -0.04 6.85 6.68 3ig4A1 TYR 264 H 0.27 0.50 -0.64 -0.55 8.29 7.87 3ig4A1 TYR 264 HA 0.11 0.20 0.71 -0.75 4.56 4.82 3ig4A1 TYR 264 HB2 0.05 0.07 -0.05 -0.04 3.06 3.08 3ig4A1 TYR 264 HB3 0.06 -0.02 -0.12 -0.04 2.98 2.86 3ig4A1 TYR 264 HD2 0.10 0.13 -0.07 -0.04 7.15 7.26 3ig4A1 TYR 264 HE2 0.16 0.02 -0.01 -0.04 6.85 6.97 3ig4A1 ASN 265 H 0.20 0.45 0.12 -0.55 8.53 8.75 3ig4A1 ASN 265 HA 0.13 0.14 0.92 -0.75 4.76 5.20 3ig4A1 ASN 265 HB2 0.15 -0.01 -0.13 -0.04 2.88 2.85 3ig4A1 ASN 265 HB3 0.18 0.07 -0.11 -0.04 2.79 2.89 3ig4A1 ASN 265 HD21 0.04 0.28 -0.37 -0.04 7.03 6.94 3ig4A1 ASN 265 HD22 0.07 0.26 -0.53 -0.04 7.74 7.50 3ig4A1 ALA 266 H 0.13 0.52 0.23 -0.55 8.40 8.74 3ig4A1 ALA 266 HA 0.13 0.15 0.76 -0.75 4.34 4.63 3ig4A1 ALA 266 HB3 0.10 -0.06 -0.08 -0.04 1.41 1.33 3ig4A1 ASP 267 H 0.15 0.15 -0.04 -0.55 8.40 8.11 3ig4A1 ASP 267 HA 0.38 0.16 0.60 -0.75 4.63 5.02 3ig4A1 ASP 267 HB2 0.21 0.06 -0.35 -0.04 2.71 2.60 3ig4A1 ASP 267 HB3 0.16 -0.02 -0.02 -0.04 2.70 2.78 3ig4A1 ILE 268 H 0.26 0.78 0.26 -0.55 8.25 9.00 3ig4A1 ILE 268 HA 0.14 0.25 1.00 -0.75 4.18 4.81 3ig4A1 ILE 268 HB 0.12 -0.04 -0.01 -0.04 1.89 1.92 3ig4A1 ILE 268 HG12 0.12 -0.18 -0.28 -0.04 1.49 1.11 3ig4A1 ILE 268 HG13 0.08 -0.01 -0.09 -0.04 1.21 1.15 3ig4A1 ILE 268 HG23 0.15 0.04 -0.15 -0.04 0.93 0.94 3ig4A1 ILE 268 HD13 0.09 0.07 -0.07 -0.04 0.88 0.94 3ig4A1 SER 269 H 0.14 0.19 0.27 -0.55 8.46 8.51 3ig4A1 SER 269 HA 0.18 0.43 1.10 -0.75 4.49 5.45 3ig4A1 SER 269 HB2 0.12 -0.14 -0.08 -0.04 3.95 3.81 3ig4A1 SER 269 HB3 0.14 0.09 -0.15 -0.04 3.93 3.96 3ig4A1 TYR 270 H 0.25 0.76 0.36 -0.55 8.29 9.10 3ig4A1 TYR 270 HA 0.16 0.09 0.92 -0.75 4.56 4.97 3ig4A1 TYR 270 HB2 0.08 -0.00 -0.29 -0.04 3.06 2.80 3ig4A1 TYR 270 HB3 0.11 -0.06 0.04 -0.04 2.98 3.03 3ig4A1 TYR 270 HD2 0.14 -0.03 -0.22 -0.04 7.15 7.00 3ig4A1 TYR 270 HE2 0.06 0.05 -0.12 -0.04 6.85 6.80 3ig4A1 THR 271 H -0.00 0.20 0.24 -0.55 8.28 8.17 3ig4A1 THR 271 HA 0.26 0.41 1.31 -0.75 4.39 5.62 3ig4A1 THR 271 HB 0.35 -0.05 0.10 -0.04 4.32 4.67 3ig4A1 THR 271 HG23 0.10 -0.00 -0.12 -0.04 1.22 1.16 3ig4A1 PHE 272 H -0.01 0.60 0.36 -0.55 8.34 8.74 3ig4A1 PHE 272 HA -0.17 0.12 0.66 -0.75 4.62 4.47 3ig4A1 PHE 272 HB2 0.01 0.07 0.02 -0.04 3.15 3.21 3ig4A1 PHE 272 HB3 0.25 0.04 -0.25 -0.04 3.06 3.06 3ig4A1 PHE 272 HD2 0.12 0.10 -0.24 -0.04 7.28 7.23 3ig4A1 PHE 272 HE2 0.07 0.04 -0.20 -0.04 7.38 7.24 3ig4A1 PHE 272 HZ 0.06 -0.02 -0.19 -0.04 7.32 7.13 3ig4A1 PRO 273 HA -0.40 0.11 0.69 -0.51 4.44 4.33 3ig4A1 PRO 273 HB2 -0.27 -0.07 -0.27 -0.04 2.28 1.64 3ig4A1 PRO 273 HB3 -0.72 -0.01 -0.22 -0.04 2.02 1.03 3ig4A1 PRO 273 HG2 -0.14 0.03 -0.10 -0.04 2.03 1.77 3ig4A1 PRO 273 HG3 -0.58 -0.00 -0.27 -0.04 2.03 1.14 3ig4A1 PRO 273 HD2 0.02 0.22 0.09 -0.04 3.68 3.97 3ig4A1 PRO 273 HD3 -1.11 0.12 0.09 -0.04 3.65 2.70 3ig4A1 ALA 274 H -0.26 0.67 0.27 -0.55 8.40 8.53 3ig4A1 ALA 274 HA -0.09 0.12 0.13 -0.75 4.34 3.75 3ig4A1 ALA 274 HB3 -0.11 -0.02 -0.08 -0.04 1.41 1.16 3ig4A1 ASN 275 H -0.08 0.01 -0.19 -0.55 8.53 7.73 3ig4A1 ASN 275 HA 0.00 0.26 0.67 -0.75 4.76 4.95 3ig4A1 ASN 275 HB2 -0.01 0.12 0.20 -0.04 2.88 3.15 3ig4A1 ASN 275 HB3 -0.02 -0.14 0.11 -0.04 2.79 2.69 3ig4A1 ASN 275 HD21 -0.04 0.08 0.07 -0.04 7.03 7.09 3ig4A1 ASN 275 HD22 -0.03 -0.11 0.10 -0.04 7.74 7.66 3ig4A1 GLY 276 H 0.00 0.43 -0.60 -0.55 8.43 7.71 3ig4A1 GLY 276 HA2 0.06 0.10 0.22 -0.51 4.01 3.88 3ig4A1 GLY 276 HA3 0.03 0.18 0.38 -0.51 4.01 4.10 3ig4A1 THR 277 H -0.06 0.01 -0.42 -0.55 8.28 7.25 3ig4A1 THR 277 HA 0.05 0.14 0.84 -0.75 4.39 4.66 3ig4A1 THR 277 HB -0.00 -0.09 -0.05 -0.04 4.32 4.14 3ig4A1 THR 277 HG23 0.04 0.03 -0.11 -0.04 1.22 1.14 3ig4A1 PHE 278 H 0.26 0.17 0.08 -0.55 8.34 8.29 3ig4A1 PHE 278 HA -0.05 0.01 0.52 -0.75 4.62 4.36 3ig4A1 PHE 278 HB2 -0.05 -0.00 0.08 -0.04 3.15 3.13 3ig4A1 PHE 278 HB3 -0.05 0.03 -0.08 -0.04 3.06 2.92 3ig4A1 PHE 278 HD2 -0.09 -0.02 -0.10 -0.04 7.28 7.03 3ig4A1 PHE 278 HE2 -0.27 0.04 -0.05 -0.04 7.38 7.06 3ig4A1 PHE 278 HZ -0.70 0.19 -0.00 -0.04 7.32 6.77 3ig4A1 SER 279 H 0.06 0.09 0.18 -0.55 8.46 8.24 3ig4A1 SER 279 HA 0.04 0.24 0.73 -0.75 4.49 4.75 3ig4A1 SER 279 HB2 0.02 0.00 0.19 -0.04 3.95 4.12 3ig4A1 SER 279 HB3 0.01 0.16 0.16 -0.04 3.93 4.22 3ig4A1 SER 280 H 0.02 0.22 0.14 -0.55 8.46 8.30 3ig4A1 SER 280 HA 0.02 0.12 0.37 -0.75 4.49 4.25 3ig4A1 SER 280 HB2 0.01 -0.05 0.14 -0.04 3.95 4.01 3ig4A1 SER 280 HB3 0.00 0.07 -0.01 -0.04 3.93 3.95 3ig4A1 ARG 281 H 0.01 0.10 -0.11 -0.55 8.46 7.91 3ig4A1 ARG 281 HA -0.00 0.14 0.42 -0.75 4.34 4.15 3ig4A1 ARG 281 HB2 0.00 0.05 0.09 -0.04 1.90 1.99 3ig4A1 ARG 281 HB3 0.01 -0.03 0.06 -0.04 1.80 1.81 3ig4A1 ARG 281 HG2 -0.01 0.06 -0.03 -0.04 1.67 1.66 3ig4A1 ARG 281 HG3 -0.00 -0.02 -0.19 -0.04 1.67 1.42 3ig4A1 ARG 281 HD2 -0.02 -0.06 0.07 -0.04 3.22 3.17 3ig4A1 ARG 281 HD3 -0.02 0.04 0.01 -0.04 3.22 3.21 3ig4A1 GLN 282 H 0.05 0.03 -0.26 -0.55 8.47 7.75 3ig4A1 GLN 282 HA 0.08 0.07 0.32 -0.75 4.36 4.08 3ig4A1 GLN 282 HB2 0.16 -0.06 0.15 -0.04 2.15 2.36 3ig4A1 GLN 282 HB3 0.22 0.05 0.01 -0.04 2.02 2.27 3ig4A1 GLN 282 HG2 0.03 0.06 0.03 -0.04 2.40 2.48 3ig4A1 GLN 282 HG3 0.03 -0.07 0.06 -0.04 2.39 2.37 3ig4A1 GLN 282 HE21 -0.07 0.53 0.12 -0.04 6.97 7.51 3ig4A1 GLN 282 HE22 -0.03 -0.04 0.09 -0.04 7.69 7.67 3ig4A1 LYS 283 H 0.07 0.61 -0.34 -0.55 8.42 8.21 3ig4A1 LYS 283 HA -0.19 -0.02 0.41 -0.75 4.32 3.78 3ig4A1 LYS 283 HB2 0.01 0.19 0.01 -0.04 1.87 2.04 3ig4A1 LYS 283 HB3 -0.03 0.11 0.01 -0.04 1.79 1.84 3ig4A1 LYS 283 HG2 -0.11 -0.02 -0.01 -0.04 1.46 1.27 3ig4A1 LYS 283 HG3 -0.33 -0.07 0.05 -0.04 1.46 1.07 3ig4A1 LYS 283 HD2 -0.08 -0.06 -0.03 -0.04 1.69 1.47 3ig4A1 LYS 283 HD3 -0.01 0.05 -0.10 -0.04 1.68 1.58 3ig4A1 LYS 283 HE2 -0.01 0.02 -0.06 -0.04 2.99 2.89 3ig4A1 LYS 283 HE3 -0.03 -0.01 -0.04 -0.04 2.99 2.87 3ig4A1 GLN 284 H 0.00 0.35 -0.32 -0.55 8.47 7.95 3ig4A1 GLN 284 HA -0.03 0.03 0.39 -0.75 4.36 3.99 3ig4A1 GLN 284 HB2 -0.02 0.18 0.25 -0.04 2.15 2.52 3ig4A1 GLN 284 HB3 -0.04 -0.01 -0.03 -0.04 2.02 1.90 3ig4A1 GLN 284 HG2 -0.03 -0.03 0.02 -0.04 2.40 2.32 3ig4A1 GLN 284 HG3 -0.02 0.17 0.07 -0.04 2.39 2.57 3ig4A1 GLN 284 HE21 -0.02 0.04 0.00 -0.04 6.97 6.95 3ig4A1 GLN 284 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.59 3ig4A1 ILE 285 H -0.00 0.47 -0.01 -0.55 8.25 8.16 3ig4A1 ILE 285 HA -0.07 0.04 0.35 -0.75 4.18 3.74 3ig4A1 ILE 285 HB 0.01 0.03 0.01 -0.04 1.89 1.90 3ig4A1 ILE 285 HG12 -0.02 0.20 0.04 -0.04 1.49 1.67 3ig4A1 ILE 285 HG13 -0.04 -0.03 -0.08 -0.04 1.21 1.02 3ig4A1 ILE 285 HG23 -0.09 -0.00 -0.14 -0.04 0.93 0.65 3ig4A1 ILE 285 HD13 -0.10 -0.01 -0.09 -0.04 0.88 0.64 3ig4A1 TYR 286 H 0.12 0.58 -0.25 -0.55 8.29 8.19 3ig4A1 TYR 286 HA -0.05 0.00 0.29 -0.75 4.56 4.05 3ig4A1 TYR 286 HB2 0.04 0.09 0.09 -0.04 3.06 3.24 3ig4A1 TYR 286 HB3 -0.22 0.02 0.14 -0.04 2.98 2.88 3ig4A1 TYR 286 HD2 -0.07 -0.05 -0.10 -0.04 7.15 6.89 3ig4A1 TYR 286 HE2 -0.07 0.04 0.03 -0.04 6.85 6.81 3ig4A1 ASN 287 H 0.02 0.57 -0.11 -0.55 8.53 8.47 3ig4A1 ASN 287 HA -0.10 -0.06 0.35 -0.75 4.76 4.21 3ig4A1 ASN 287 HB2 -0.04 0.20 0.17 -0.04 2.88 3.17 3ig4A1 ASN 287 HB3 -0.05 -0.04 0.02 -0.04 2.79 2.68 3ig4A1 ASN 287 HD21 -0.08 -0.15 0.05 -0.04 7.03 6.81 3ig4A1 ASN 287 HD22 -0.05 0.21 0.05 -0.04 7.74 7.91 3ig4A1 ILE 288 H -0.09 0.48 -0.36 -0.55 8.25 7.72 3ig4A1 ILE 288 HA -0.11 -0.01 0.47 -0.75 4.18 3.78 3ig4A1 ILE 288 HB -0.12 0.19 0.15 -0.04 1.89 2.06 3ig4A1 ILE 288 HG12 -0.09 -0.10 0.01 -0.04 1.49 1.28 3ig4A1 ILE 288 HG13 -0.08 0.27 0.04 -0.04 1.21 1.41 3ig4A1 ILE 288 HG23 -0.14 -0.03 -0.15 -0.04 0.93 0.57 3ig4A1 ILE 288 HD13 -0.09 -0.04 -0.26 -0.04 0.88 0.45 3ig4A1 VAL 289 H -0.19 0.60 -0.07 -0.55 8.24 8.02 3ig4A1 VAL 289 HA -0.21 0.00 0.37 -0.75 4.13 3.54 3ig4A1 VAL 289 HB -0.33 0.11 0.05 -0.04 2.12 1.92 3ig4A1 VAL 289 HG13 -0.19 -0.04 -0.35 -0.04 0.97 0.34 3ig4A1 VAL 289 HG23 -0.21 0.04 -0.13 -0.04 0.95 0.61 3ig4A1 LEU 290 H -0.35 0.71 -0.03 -0.55 8.37 8.15 3ig4A1 LEU 290 HA -0.22 0.02 0.34 -0.75 4.35 3.73 3ig4A1 LEU 290 HB2 -0.50 0.05 0.02 -0.04 1.64 1.17 3ig4A1 LEU 290 HB3 -0.19 0.03 0.08 -0.04 1.64 1.52 3ig4A1 LEU 290 HG -0.08 -0.01 -0.17 -0.04 1.64 1.34 3ig4A1 LEU 290 HD13 -0.09 -0.01 0.02 -0.04 0.93 0.81 3ig4A1 LEU 290 HD23 0.03 0.00 -0.11 -0.04 0.89 0.77 3ig4A1 ASN 291 H -0.14 0.74 -0.23 -0.55 8.53 8.36 3ig4A1 ASN 291 HA -0.07 -0.05 0.48 -0.75 4.76 4.37 3ig4A1 ASN 291 HB2 -0.10 0.21 0.18 -0.04 2.88 3.13 3ig4A1 ASN 291 HB3 -0.08 -0.08 0.01 -0.04 2.79 2.60 3ig4A1 ASN 291 HD21 -0.06 -0.08 -0.06 -0.04 7.03 6.80 3ig4A1 ASN 291 HD22 -0.07 -0.01 -0.00 -0.04 7.74 7.61 3ig4A1 ALA 292 H -0.14 0.50 -0.20 -0.55 8.40 8.01 3ig4A1 ALA 292 HA -0.11 -0.04 0.38 -0.75 4.34 3.81 3ig4A1 ALA 292 HB3 -0.19 0.05 0.09 -0.04 1.41 1.32 3ig4A1 LEU 293 H -0.12 0.46 -0.26 -0.55 8.37 7.91 3ig4A1 LEU 293 HA -0.07 0.02 0.44 -0.75 4.35 3.99 3ig4A1 LEU 293 HB2 -0.10 0.09 0.07 -0.04 1.64 1.66 3ig4A1 LEU 293 HB3 -0.09 0.09 0.17 -0.04 1.64 1.77 3ig4A1 LEU 293 HG -0.04 -0.06 -0.28 -0.04 1.64 1.22 3ig4A1 LEU 293 HD13 -0.04 0.02 0.04 -0.04 0.93 0.91 3ig4A1 LEU 293 HD23 -0.04 -0.00 -0.14 -0.04 0.89 0.67 3ig4A1 LYS 294 H -0.06 0.56 0.02 -0.55 8.42 8.39 3ig4A1 LYS 294 HA -0.03 -0.01 0.42 -0.75 4.32 3.95 3ig4A1 LYS 294 HB2 -0.03 0.10 0.19 -0.04 1.87 2.08 3ig4A1 LYS 294 HB3 -0.01 -0.05 0.02 -0.04 1.79 1.71 3ig4A1 LYS 294 HG2 -0.02 -0.05 0.04 -0.04 1.46 1.40 3ig4A1 LYS 294 HG3 -0.04 0.21 0.10 -0.04 1.46 1.69 3ig4A1 LYS 294 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.62 3ig4A1 LYS 294 HD3 -0.01 -0.02 0.00 -0.04 1.68 1.61 3ig4A1 LYS 294 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.92 3ig4A1 LYS 294 HE3 -0.02 0.02 -0.05 -0.04 2.99 2.89 3ig4A1 GLU 295 H -0.03 0.73 -0.09 -0.55 8.60 8.67 3ig4A1 GLU 295 HA 0.03 -0.01 0.31 -0.75 4.29 3.86 3ig4A1 GLU 295 HB2 -0.00 0.11 0.12 -0.04 2.09 2.27 3ig4A1 GLU 295 HB3 0.19 -0.05 -0.08 -0.04 1.99 2.02 3ig4A1 GLU 295 HG2 -0.00 -0.00 0.05 -0.04 2.34 2.34 3ig4A1 GLU 295 HG3 -0.02 -0.03 -0.04 -0.04 2.34 2.21 3ig4A1 THR 296 H -0.01 0.57 -0.21 -0.55 8.28 8.09 3ig4A1 THR 296 HA 0.02 -0.00 0.46 -0.75 4.39 4.12 3ig4A1 THR 296 HB -0.06 0.06 0.11 -0.04 4.32 4.39 3ig4A1 THR 296 HG23 -0.07 -0.03 -0.02 -0.04 1.22 1.07 3ig4A1 THR 297 H -0.08 0.72 -0.04 -0.55 8.28 8.32 3ig4A1 THR 297 HA -0.22 -0.02 0.43 -0.75 4.39 3.83 3ig4A1 THR 297 HB -0.11 0.09 0.10 -0.04 4.32 4.35 3ig4A1 THR 297 HG23 -0.30 -0.04 -0.10 -0.04 1.22 0.74 3ig4A1 GLU 298 H -0.08 0.53 -0.29 -0.55 8.60 8.21 3ig4A1 GLU 298 HA 0.10 -0.05 0.22 -0.75 4.29 3.80 3ig4A1 GLU 298 HB2 0.03 -0.08 0.06 -0.04 2.09 2.06 3ig4A1 GLU 298 HB3 -0.02 0.18 0.15 -0.04 1.99 2.26 3ig4A1 GLU 298 HG2 -0.00 -0.08 -0.05 -0.04 2.34 2.17 3ig4A1 GLU 298 HG3 -0.03 0.04 -0.40 -0.04 2.34 1.91 3ig4A1 ILE 299 H -0.13 0.30 -0.37 -0.55 8.25 7.50 3ig4A1 ILE 299 HA -0.05 0.07 0.32 -0.75 4.18 3.76 3ig4A1 ILE 299 HB -0.15 -0.08 0.07 -0.04 1.89 1.69 3ig4A1 ILE 299 HG12 -0.18 0.29 0.06 -0.04 1.49 1.62 3ig4A1 ILE 299 HG13 -0.13 -0.02 -0.33 -0.04 1.21 0.69 3ig4A1 ILE 299 HG23 -0.39 0.04 0.01 -0.04 0.93 0.55 3ig4A1 ILE 299 HD13 -0.24 -0.06 -0.09 -0.04 0.88 0.45 3ig4A1 ILE 300 H -0.14 0.45 -0.35 -0.55 8.25 7.66 3ig4A1 ILE 300 HA -0.02 -0.08 0.31 -0.75 4.18 3.62 3ig4A1 ILE 300 HB -0.23 0.08 0.05 -0.04 1.89 1.75 3ig4A1 ILE 300 HG12 -0.10 -0.10 -0.05 -0.04 1.49 1.21 3ig4A1 ILE 300 HG13 -0.18 0.23 0.09 -0.04 1.21 1.31 3ig4A1 ILE 300 HG23 0.04 -0.02 -0.29 -0.04 0.93 0.62 3ig4A1 ILE 300 HD13 -0.14 -0.04 -0.08 -0.04 0.88 0.58 3ig4A1 LYS 301 H 0.04 0.20 0.20 -0.55 8.42 8.29 3ig4A1 LYS 301 HA 0.08 0.17 0.25 -0.75 4.32 4.06 3ig4A1 LYS 301 HB2 0.04 0.01 -0.09 -0.04 1.87 1.78 3ig4A1 LYS 301 HB3 0.07 0.13 -0.02 -0.04 1.79 1.93 3ig4A1 LYS 301 HG2 0.03 0.12 -0.18 -0.04 1.46 1.39 3ig4A1 LYS 301 HG3 0.03 0.07 -0.23 -0.04 1.46 1.29 3ig4A1 LYS 301 HD2 0.02 0.01 -0.05 -0.04 1.69 1.62 3ig4A1 LYS 301 HD3 0.02 0.01 -0.07 -0.04 1.68 1.60 3ig4A1 LYS 301 HE2 0.00 0.00 -0.04 -0.04 2.99 2.91 3ig4A1 LYS 301 HE3 0.01 -0.01 -0.05 -0.04 2.99 2.89 3ig4A1 PRO 302 HA 0.07 0.09 0.14 -0.51 4.44 4.23 3ig4A1 PRO 302 HB2 0.04 0.03 0.04 -0.04 2.28 2.36 3ig4A1 PRO 302 HB3 0.06 -0.04 0.12 -0.04 2.02 2.13 3ig4A1 PRO 302 HG2 0.05 0.25 0.02 -0.04 2.03 2.31 3ig4A1 PRO 302 HG3 0.07 -0.11 -0.07 -0.04 2.03 1.88 3ig4A1 PRO 302 HD2 0.04 0.04 -0.03 -0.04 3.68 3.69 3ig4A1 PRO 302 HD3 0.06 0.22 0.09 -0.04 3.65 3.98 3ig4A1 GLY 303 H 0.06 0.56 0.22 -0.55 8.43 8.73 3ig4A1 GLY 303 HA2 0.05 -0.03 0.35 -0.51 4.01 3.87 3ig4A1 GLY 303 HA3 0.04 0.14 0.66 -0.51 4.01 4.34 3ig4A1 LEU 304 H 0.04 0.50 -0.18 -0.55 8.37 8.19 3ig4A1 LEU 304 HA 0.02 0.03 0.54 -0.75 4.35 4.19 3ig4A1 LEU 304 HB2 0.01 0.17 0.10 -0.04 1.64 1.87 3ig4A1 LEU 304 HB3 0.02 -0.07 0.10 -0.04 1.64 1.65 3ig4A1 LEU 304 HG -0.02 0.08 -0.24 -0.04 1.64 1.42 3ig4A1 LEU 304 HD13 -0.03 -0.01 0.03 -0.04 0.93 0.87 3ig4A1 LEU 304 HD23 -0.06 0.04 -0.21 -0.04 0.89 0.62 3ig4A1 LYS 305 H 0.03 0.13 0.23 -0.55 8.42 8.26 3ig4A1 LYS 305 HA 0.09 0.22 0.74 -0.75 4.32 4.62 3ig4A1 LYS 305 HB2 0.03 -0.04 0.19 -0.04 1.87 2.02 3ig4A1 LYS 305 HB3 0.07 -0.15 0.04 -0.04 1.79 1.71 3ig4A1 LYS 305 HG2 0.06 0.10 0.02 -0.04 1.46 1.60 3ig4A1 LYS 305 HG3 0.04 0.09 0.09 -0.04 1.46 1.65 3ig4A1 LYS 305 HD2 0.03 -0.03 0.04 -0.04 1.69 1.69 3ig4A1 LYS 305 HD3 0.05 -0.05 0.02 -0.04 1.68 1.66 3ig4A1 LYS 305 HE2 0.04 0.04 0.01 -0.04 2.99 3.04 3ig4A1 LYS 305 HE3 0.03 0.04 0.03 -0.04 2.99 3.06 3ig4A1 PHE 306 H 0.23 0.82 0.30 -0.55 8.34 9.14 3ig4A1 PHE 306 HA -0.00 0.08 0.29 -0.75 4.62 4.23 3ig4A1 PHE 306 HB2 0.04 0.06 -0.01 -0.04 3.15 3.20 3ig4A1 PHE 306 HB3 0.06 0.04 0.12 -0.04 3.06 3.25 3ig4A1 PHE 306 HD2 -0.04 0.01 -0.17 -0.04 7.28 7.04 3ig4A1 PHE 306 HE2 -0.22 -0.01 -0.12 -0.04 7.38 7.00 3ig4A1 PHE 306 HZ -0.29 0.29 -0.12 -0.04 7.32 7.16 3ig4A1 ALA 307 H 0.15 0.15 -0.27 -0.55 8.40 7.88 3ig4A1 ALA 307 HA 0.02 0.06 0.41 -0.75 4.34 4.07 3ig4A1 ALA 307 HB3 0.07 0.01 0.06 -0.04 1.41 1.51 3ig4A1 ALA 308 H -0.04 0.62 -0.45 -0.55 8.40 7.98 3ig4A1 ALA 308 HA -0.02 0.01 0.37 -0.75 4.34 3.95 3ig4A1 ALA 308 HB3 -0.03 0.04 0.07 -0.04 1.41 1.45 3ig4A1 LEU 309 H -0.24 0.41 -0.27 -0.55 8.37 7.73 3ig4A1 LEU 309 HA -0.12 0.11 0.37 -0.75 4.35 3.96 3ig4A1 LEU 309 HB2 -0.51 0.02 0.13 -0.04 1.64 1.24 3ig4A1 LEU 309 HB3 -0.24 -0.00 -0.04 -0.04 1.64 1.32 3ig4A1 LEU 309 HG -0.30 0.01 0.03 -0.04 1.64 1.34 3ig4A1 LEU 309 HD13 -0.46 0.02 -0.04 -0.04 0.93 0.40 3ig4A1 LEU 309 HD23 -0.14 0.00 -0.08 -0.04 0.89 0.63 3ig4A1 ASN 310 H -0.20 0.26 -0.07 -0.55 8.53 7.97 3ig4A1 ASN 310 HA -0.03 0.05 0.48 -0.75 4.76 4.51 3ig4A1 ASN 310 HB2 -0.09 -0.05 0.17 -0.04 2.88 2.87 3ig4A1 ASN 310 HB3 -0.04 0.10 0.08 -0.04 2.79 2.89 3ig4A1 ASN 310 HD21 0.03 0.11 0.01 -0.04 7.03 7.14 3ig4A1 ASN 310 HD22 0.01 0.02 -0.07 -0.04 7.74 7.66 3ig4A1 GLU 311 H -0.04 0.33 -0.26 -0.55 8.60 8.08 3ig4A1 GLU 311 HA 0.00 0.03 0.51 -0.75 4.29 4.07 3ig4A1 GLU 311 HB2 0.00 0.11 0.17 -0.04 2.09 2.33 3ig4A1 GLU 311 HB3 0.01 -0.03 -0.00 -0.04 1.99 1.94 3ig4A1 GLU 311 HG2 0.01 -0.04 0.04 -0.04 2.34 2.30 3ig4A1 GLU 311 HG3 -0.00 0.03 0.06 -0.04 2.34 2.39 3ig4A1 HIS 312 H 0.06 0.61 -0.12 -0.55 8.41 8.42 3ig4A1 HIS 312 HA -0.05 -0.01 0.47 -0.75 4.63 4.29 3ig4A1 HIS 312 HB2 -0.06 0.08 0.13 -0.04 3.26 3.37 3ig4A1 HIS 312 HB3 -0.08 0.11 0.11 -0.04 3.20 3.30 3ig4A1 HIS 312 HD2 -0.07 -0.00 -0.40 -0.04 6.97 6.46 3ig4A1 HIS 312 HE1 -0.03 -0.02 -0.02 -0.04 7.75 7.63 3ig4A1 ALA 313 H -0.01 0.63 -0.00 -0.55 8.40 8.47 3ig4A1 ALA 313 HA -0.13 0.05 0.48 -0.75 4.34 3.99 3ig4A1 ALA 313 HB3 -0.10 0.01 0.11 -0.04 1.41 1.39 3ig4A1 LYS 314 H -0.04 0.64 -0.11 -0.55 8.42 8.35 3ig4A1 LYS 314 HA -0.11 0.01 0.42 -0.75 4.32 3.89 3ig4A1 LYS 314 HB2 0.00 0.17 0.22 -0.04 1.87 2.22 3ig4A1 LYS 314 HB3 0.01 -0.07 -0.00 -0.04 1.79 1.68 3ig4A1 LYS 314 HG2 0.23 -0.02 0.06 -0.04 1.46 1.68 3ig4A1 LYS 314 HG3 0.19 0.07 0.09 -0.04 1.46 1.77 3ig4A1 LYS 314 HD2 0.05 -0.06 0.01 -0.04 1.69 1.65 3ig4A1 LYS 314 HD3 0.07 0.02 0.01 -0.04 1.68 1.73 3ig4A1 LYS 314 HE2 0.04 -0.02 -0.07 -0.04 2.99 2.90 3ig4A1 LYS 314 HE3 0.02 0.05 0.03 -0.04 2.99 3.05 3ig4A1 LYS 315 H -0.10 0.58 -0.14 -0.55 8.42 8.20 3ig4A1 LYS 315 HA -0.09 -0.06 0.39 -0.75 4.32 3.80 3ig4A1 LYS 315 HB2 -0.11 0.14 0.19 -0.04 1.87 2.05 3ig4A1 LYS 315 HB3 -0.31 0.13 0.19 -0.04 1.79 1.75 3ig4A1 LYS 315 HG2 -0.13 -0.04 -0.07 -0.04 1.46 1.18 3ig4A1 LYS 315 HG3 -0.07 -0.06 0.05 -0.04 1.46 1.33 3ig4A1 LYS 315 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 3ig4A1 LYS 315 HD3 -0.19 0.04 0.00 -0.04 1.68 1.49 3ig4A1 LYS 315 HE2 0.01 0.01 -0.02 -0.04 2.99 2.96 3ig4A1 LYS 315 HE3 -0.05 -0.01 -0.03 -0.04 2.99 2.86 3ig4A1 VAL 316 H -0.27 0.70 -0.10 -0.55 8.24 8.01 3ig4A1 VAL 316 HA -0.17 -0.02 0.33 -0.75 4.13 3.51 3ig4A1 VAL 316 HB -0.21 0.11 0.12 -0.04 2.12 2.11 3ig4A1 VAL 316 HG13 -0.12 -0.00 -0.18 -0.04 0.97 0.63 3ig4A1 VAL 316 HG23 -0.39 0.02 0.01 -0.04 0.95 0.55 3ig4A1 LEU 317 H -0.20 0.63 -0.12 -0.55 8.37 8.14 3ig4A1 LEU 317 HA -0.17 0.06 0.59 -0.75 4.35 4.07 3ig4A1 LEU 317 HB2 -0.25 0.10 0.18 -0.04 1.64 1.63 3ig4A1 LEU 317 HB3 -0.22 -0.06 -0.01 -0.04 1.64 1.31 3ig4A1 LEU 317 HG -0.33 0.07 0.06 -0.04 1.64 1.40 3ig4A1 LEU 317 HD13 -0.93 -0.02 -0.04 -0.04 0.93 -0.10 3ig4A1 LEU 317 HD23 -0.28 0.00 -0.09 -0.04 0.89 0.48 3ig4A1 ALA 318 H -0.10 0.74 -0.02 -0.55 8.40 8.47 3ig4A1 ALA 318 HA -0.04 -0.03 0.39 -0.75 4.34 3.90 3ig4A1 ALA 318 HB3 -0.04 0.03 0.10 -0.04 1.41 1.47 3ig4A1 GLU 319 H -0.09 0.52 -0.17 -0.55 8.60 8.31 3ig4A1 GLU 319 HA -0.05 -0.02 0.36 -0.75 4.29 3.83 3ig4A1 GLU 319 HB2 -0.09 0.15 0.14 -0.04 2.09 2.24 3ig4A1 GLU 319 HB3 -0.07 -0.03 -0.04 -0.04 1.99 1.82 3ig4A1 GLU 319 HG2 -0.05 -0.05 0.02 -0.04 2.34 2.21 3ig4A1 GLU 319 HG3 -0.07 0.08 0.06 -0.04 2.34 2.36 3ig4A1 GLY 320 H -0.09 0.47 -0.20 -0.55 8.43 8.06 3ig4A1 GLY 320 HA2 -0.07 0.02 0.51 -0.51 4.01 3.96 3ig4A1 GLY 320 HA3 -0.09 0.07 0.33 -0.51 4.01 3.81 3ig4A1 CYS 321 H -0.08 0.61 -0.17 -0.55 8.50 8.31 3ig4A1 CYS 321 HA -0.09 -0.01 0.42 -0.75 4.58 4.15 3ig4A1 CYS 321 HB2 -0.05 0.11 0.11 -0.04 2.97 3.10 3ig4A1 CYS 321 HB3 -0.07 -0.13 -0.10 -0.04 2.97 2.63 3ig4A1 LYS 322 H -0.04 0.85 -0.02 -0.55 8.42 8.65 3ig4A1 LYS 322 HA -0.02 0.21 0.50 -0.75 4.32 4.25 3ig4A1 LYS 322 HB2 -0.03 0.06 0.12 -0.04 1.87 1.98 3ig4A1 LYS 322 HB3 -0.02 -0.02 -0.03 -0.04 1.79 1.67 3ig4A1 LYS 322 HG2 -0.01 -0.01 -0.26 -0.04 1.46 1.14 3ig4A1 LYS 322 HG3 -0.02 0.10 -0.17 -0.04 1.46 1.33 3ig4A1 LYS 322 HD2 -0.02 -0.01 -0.06 -0.04 1.69 1.55 3ig4A1 LYS 322 HD3 -0.01 0.06 -0.02 -0.04 1.68 1.66 3ig4A1 LYS 322 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.90 3ig4A1 LYS 322 HE3 -0.01 -0.12 -0.20 -0.04 2.99 2.62 3ig4A1 ALA 323 H -0.04 0.55 -0.18 -0.55 8.40 8.18 3ig4A1 ALA 323 HA -0.03 -0.01 0.34 -0.75 4.34 3.88 3ig4A1 ALA 323 HB3 -0.04 0.01 0.12 -0.04 1.41 1.46 3ig4A1 VAL 324 H -0.05 0.34 -0.33 -0.55 8.24 7.65 3ig4A1 VAL 324 HA -0.04 0.08 0.57 -0.75 4.13 3.98 3ig4A1 VAL 324 HB -0.07 0.09 0.11 -0.04 2.12 2.21 3ig4A1 VAL 324 HG13 -0.06 -0.04 -0.14 -0.04 0.97 0.70 3ig4A1 VAL 324 HG23 -0.05 -0.02 -0.04 -0.04 0.95 0.80 3ig4A1 GLY 325 H -0.04 0.37 -0.25 -0.55 8.43 7.96 3ig4A1 GLY 325 HA2 -0.02 0.09 0.30 -0.51 4.01 3.88 3ig4A1 GLY 325 HA3 -0.02 0.07 0.65 -0.51 4.01 4.20 3ig4A1 LEU 326 H -0.06 0.40 0.08 -0.55 8.37 8.23 3ig4A1 LEU 326 HA -0.07 0.07 0.49 -0.75 4.35 4.08 3ig4A1 LEU 326 HB2 -0.16 -0.01 0.01 -0.04 1.64 1.44 3ig4A1 LEU 326 HB3 -0.16 -0.03 0.05 -0.04 1.64 1.46 3ig4A1 LEU 326 HG -0.59 -0.01 -0.13 -0.04 1.64 0.86 3ig4A1 LEU 326 HD13 -0.32 -0.01 0.01 -0.04 0.93 0.57 3ig4A1 LEU 326 HD23 -0.52 -0.01 -0.08 -0.04 0.89 0.24 3ig4A1 ILE 327 H -0.02 0.31 -0.21 -0.55 8.25 7.78 3ig4A1 ILE 327 HA 0.06 0.19 0.68 -0.75 4.18 4.36 3ig4A1 ILE 327 HB 0.06 -0.12 -0.01 -0.04 1.89 1.78 3ig4A1 ILE 327 HG12 -0.00 -0.09 -0.34 -0.04 1.49 1.02 3ig4A1 ILE 327 HG13 0.01 0.04 -0.52 -0.04 1.21 0.70 3ig4A1 ILE 327 HG23 0.18 -0.00 -0.36 -0.04 0.93 0.70 3ig4A1 ILE 327 HD13 0.03 0.06 -0.20 -0.04 0.88 0.73 3ig4A1 GLN 328 H 0.03 0.01 0.12 -0.55 8.47 8.09 3ig4A1 GLN 328 HA 0.00 0.25 0.81 -0.75 4.36 4.68 3ig4A1 GLN 328 HB2 0.02 0.02 0.04 -0.04 2.15 2.18 3ig4A1 GLN 328 HB3 0.01 -0.08 0.08 -0.04 2.02 2.00 3ig4A1 GLN 328 HG2 0.01 -0.02 -0.02 -0.04 2.40 2.32 3ig4A1 GLN 328 HG3 0.00 0.00 0.01 -0.04 2.39 2.36 3ig4A1 GLN 328 HE21 -0.00 0.03 -0.01 -0.04 6.97 6.95 3ig4A1 GLN 328 HE22 -0.00 -0.03 0.01 -0.04 7.69 7.62 3ig4A1 GLU 329 H 0.02 0.02 0.17 -0.55 8.60 8.26 3ig4A1 GLU 329 HA 0.00 0.31 0.93 -0.75 4.29 4.77 3ig4A1 GLU 329 HB2 0.01 -0.03 0.08 -0.04 2.09 2.11 3ig4A1 GLU 329 HB3 0.01 -0.09 0.11 -0.04 1.99 1.98 3ig4A1 GLU 329 HG2 0.00 0.06 0.01 -0.04 2.34 2.36 3ig4A1 GLU 329 HG3 0.00 0.04 -0.33 -0.04 2.34 2.01 3ig4A1 ASP 330 H 0.00 0.22 0.14 -0.55 8.40 8.21 3ig4A1 ASP 330 HA 0.01 0.12 0.34 -0.75 4.63 4.35 3ig4A1 ASP 330 HB2 -0.00 -0.02 0.11 -0.04 2.71 2.76 3ig4A1 ASP 330 HB3 -0.00 0.06 0.02 -0.04 2.70 2.74 3ig4A1 GLU 331 H 0.01 0.07 -0.18 -0.55 8.60 7.95 3ig4A1 GLU 331 HA 0.01 0.10 0.36 -0.75 4.29 4.01 3ig4A1 GLU 331 HB2 0.01 0.01 0.09 -0.04 2.09 2.16 3ig4A1 GLU 331 HB3 0.01 -0.02 0.02 -0.04 1.99 1.96 3ig4A1 GLU 331 HG2 0.00 0.01 -0.06 -0.04 2.34 2.25 3ig4A1 GLU 331 HG3 0.00 0.02 0.05 -0.04 2.34 2.38 3ig4A1 GLU 332 H 0.03 0.25 -0.42 -0.55 8.60 7.92 3ig4A1 GLU 332 HA 0.01 0.06 0.31 -0.75 4.29 3.92 3ig4A1 GLU 332 HB2 0.07 0.13 0.04 -0.04 2.09 2.29 3ig4A1 GLU 332 HB3 0.09 0.05 0.10 -0.04 1.99 2.19 3ig4A1 GLU 332 HG2 0.02 0.06 0.05 -0.04 2.34 2.43 3ig4A1 GLU 332 HG3 0.03 -0.10 0.06 -0.04 2.34 2.29 3ig4A1 LEU 333 H 0.06 0.53 -0.43 -0.55 8.37 7.98 3ig4A1 LEU 333 HA 0.19 0.04 0.31 -0.75 4.35 4.12 3ig4A1 LEU 333 HB2 0.06 -0.02 0.11 -0.04 1.64 1.74 3ig4A1 LEU 333 HB3 0.07 0.09 0.12 -0.04 1.64 1.87 3ig4A1 LEU 333 HG 0.18 0.01 -0.10 -0.04 1.64 1.69 3ig4A1 LEU 333 HD13 0.04 -0.01 -0.09 -0.04 0.93 0.83 3ig4A1 LEU 333 HD23 0.03 0.00 0.04 -0.04 0.89 0.93 3ig4A1 SER 334 H 0.05 0.31 -0.14 -0.55 8.46 8.12 3ig4A1 SER 334 HA 0.07 0.28 0.38 -0.75 4.49 4.47 3ig4A1 SER 334 HB2 0.01 -0.00 0.09 -0.04 3.95 4.01 3ig4A1 SER 334 HB3 0.02 -0.01 0.14 -0.04 3.93 4.05 3ig4A1 LYS 335 H -0.04 0.30 -0.49 -0.55 8.42 7.64 3ig4A1 LYS 335 HA -0.10 0.04 0.48 -0.75 4.32 4.00 3ig4A1 LYS 335 HB2 -0.18 -0.08 0.10 -0.04 1.87 1.67 3ig4A1 LYS 335 HB3 -0.39 0.26 0.12 -0.04 1.79 1.73 3ig4A1 LYS 335 HG2 -1.13 0.01 -0.07 -0.04 1.46 0.23 3ig4A1 LYS 335 HG3 -0.31 -0.04 0.14 -0.04 1.46 1.21 3ig4A1 LYS 335 HD2 -0.16 -0.04 0.04 -0.04 1.69 1.50 3ig4A1 LYS 335 HD3 -0.24 0.04 0.04 -0.04 1.68 1.48 3ig4A1 LYS 335 HE2 -0.04 -0.01 0.03 -0.04 2.99 2.94 3ig4A1 LYS 335 HE3 -0.19 0.01 0.02 -0.04 2.99 2.79 3ig4A1 TYR 336 H 0.14 0.67 -0.18 -0.55 8.29 8.37 3ig4A1 TYR 336 HA 0.22 0.35 1.07 -0.75 4.56 5.44 3ig4A1 TYR 336 HB2 0.05 0.06 0.06 -0.04 3.06 3.19 3ig4A1 TYR 336 HB3 0.03 -0.15 0.07 -0.04 2.98 2.89 3ig4A1 TYR 336 HD2 0.06 0.15 0.01 -0.04 7.15 7.33 3ig4A1 TYR 336 HE2 0.03 -0.07 -0.01 -0.04 6.85 6.77 3ig4A1 TYR 337 H 0.22 0.36 0.04 -0.55 8.29 8.36 3ig4A1 TYR 337 HA -0.18 0.08 0.73 -0.75 4.56 4.44 3ig4A1 TYR 337 HB2 -0.11 0.16 0.03 -0.04 3.06 3.10 3ig4A1 TYR 337 HB3 -0.05 -0.04 0.10 -0.04 2.98 2.94 3ig4A1 TYR 337 HD2 -0.20 0.03 0.02 -0.04 7.15 6.96 3ig4A1 TYR 337 HE2 -0.33 0.02 -0.05 -0.04 6.85 6.45 3ig4A1 TYR 338 H -0.82 0.16 -0.04 -0.55 8.29 7.04 3ig4A1 TYR 338 HA -0.28 0.18 0.93 -0.75 4.56 4.64 3ig4A1 TYR 338 HB2 -0.10 -0.05 0.21 -0.04 3.06 3.07 3ig4A1 TYR 338 HB3 -0.09 0.19 -0.01 -0.04 2.98 3.03 3ig4A1 TYR 338 HD2 -0.05 0.07 -0.19 -0.04 7.15 6.95 3ig4A1 TYR 338 HE2 -0.06 0.05 -0.06 -0.04 6.85 6.74 3ig4A1 HIS 339 H -1.14 0.23 -0.03 -0.55 8.41 6.92 3ig4A1 HIS 339 HA -0.15 0.10 0.36 -0.75 4.63 4.18 3ig4A1 HIS 339 HB2 -0.09 -0.05 0.16 -0.04 3.26 3.25 3ig4A1 HIS 339 HB3 -0.12 0.06 0.04 -0.04 3.20 3.14 3ig4A1 HIS 339 HD2 -0.28 -0.05 -0.19 -0.04 6.97 6.41 3ig4A1 HIS 339 HE1 0.24 0.49 -0.01 -0.04 7.75 8.43 3ig4A1 GLY 340 H 0.06 0.12 0.10 -0.55 8.43 8.17 3ig4A1 GLY 340 HA2 0.01 0.07 0.70 -0.51 4.01 4.28 3ig4A1 GLY 340 HA3 0.02 0.05 0.32 -0.51 4.01 3.89 3ig4A1 VAL 341 H 0.05 0.06 0.14 -0.55 8.24 7.93 3ig4A1 VAL 341 HA 0.23 0.31 0.45 -0.75 4.13 4.38 3ig4A1 VAL 341 HB 0.10 -0.00 -0.00 -0.04 2.12 2.17 3ig4A1 VAL 341 HG13 -0.08 0.02 -0.24 -0.04 0.97 0.62 3ig4A1 VAL 341 HG23 0.00 -0.03 -0.08 -0.04 0.95 0.80 3ig4A1 SER 342 H 0.02 0.05 -0.08 -0.55 8.46 7.91 3ig4A1 SER 342 HA -0.04 0.33 0.92 -0.75 4.49 4.95 3ig4A1 SER 342 HB2 -0.13 0.02 -0.13 -0.04 3.95 3.67 3ig4A1 SER 342 HB3 -0.26 -0.17 -0.00 -0.04 3.93 3.46 3ig4A1 HIS 343 H -0.26 0.26 0.27 -0.55 8.41 8.13 3ig4A1 HIS 343 HA 0.01 0.07 0.55 -0.75 4.63 4.50 3ig4A1 HIS 343 HB2 0.10 0.03 0.12 -0.04 3.26 3.48 3ig4A1 HIS 343 HB3 -0.08 -0.02 -0.10 -0.04 3.20 2.96 3ig4A1 HIS 343 HD2 0.03 -0.03 -0.24 -0.04 6.97 6.67 3ig4A1 HIS 343 HE1 0.13 0.11 -0.05 -0.04 7.75 7.90 3ig4A1 PHE 344 H 0.35 0.11 0.10 -0.55 8.34 8.35 3ig4A1 PHE 344 HA 0.12 0.23 0.69 -0.75 4.62 4.91 3ig4A1 PHE 344 HB2 0.08 0.05 -0.06 -0.04 3.15 3.18 3ig4A1 PHE 344 HB3 0.03 0.09 0.03 -0.04 3.06 3.16 3ig4A1 PHE 344 HD2 -0.27 0.16 -0.07 -0.04 7.28 7.06 3ig4A1 PHE 344 HE2 -0.57 0.03 -0.20 -0.04 7.38 6.60 3ig4A1 PHE 344 HZ -0.29 -0.04 -0.07 -0.04 7.32 6.87 3ig4A1 LEU 345 H 0.28 0.66 0.35 -0.55 8.37 9.10 3ig4A1 LEU 345 HA 0.26 0.23 0.80 -0.75 4.35 4.88 3ig4A1 LEU 345 HB2 0.14 0.00 -0.18 -0.04 1.64 1.56 3ig4A1 LEU 345 HB3 0.14 -0.02 -0.08 -0.04 1.64 1.64 3ig4A1 LEU 345 HG 0.17 0.05 -0.11 -0.04 1.64 1.71 3ig4A1 LEU 345 HD13 0.20 -0.00 -0.11 -0.04 0.93 0.98 3ig4A1 LEU 345 HD23 0.12 -0.03 -0.08 -0.04 0.89 0.86 3ig4A1 GLY 346 H 0.16 0.40 0.05 -0.55 8.43 8.49 3ig4A1 GLY 346 HA2 0.26 0.07 0.39 -0.51 4.01 4.22 3ig4A1 GLY 346 HA3 0.14 0.05 0.50 -0.51 4.01 4.19 3ig4A1 LEU 347 H -0.01 0.17 0.13 -0.55 8.37 8.11 3ig4A1 LEU 347 HA -0.28 0.28 0.55 -0.75 4.35 4.15 3ig4A1 LEU 347 HB2 -0.06 -0.08 0.07 -0.04 1.64 1.52 3ig4A1 LEU 347 HB3 -0.08 -0.01 0.04 -0.04 1.64 1.55 3ig4A1 LEU 347 HG -0.50 -0.02 0.01 -0.04 1.64 1.09 3ig4A1 LEU 347 HD13 0.25 -0.01 -0.01 -0.04 0.93 1.12 3ig4A1 LEU 347 HD23 -0.36 0.04 -0.14 -0.04 0.89 0.39 3ig4A1 ASP 348 H 0.02 0.03 -0.30 -0.55 8.40 7.60 3ig4A1 ASP 348 HA 0.02 0.24 0.70 -0.75 4.63 4.83 3ig4A1 ASP 348 HB2 0.04 -0.14 -0.13 -0.04 2.71 2.43 3ig4A1 ASP 348 HB3 0.04 0.08 -0.31 -0.04 2.70 2.48 3ig4A1 THR 349 H 0.02 0.20 -0.02 -0.55 8.28 7.92 3ig4A1 THR 349 HA 0.11 0.07 0.26 -0.75 4.39 4.08 3ig4A1 THR 349 HB -0.25 -0.10 -0.03 -0.04 4.32 3.91 3ig4A1 THR 349 HG23 -0.23 0.01 -0.25 -0.04 1.22 0.70 3ig4A1 HIS 350 H -0.11 0.04 -0.19 -0.55 8.41 7.60 3ig4A1 HIS 350 HA -0.04 0.28 0.75 -0.75 4.63 4.86 3ig4A1 HIS 350 HB2 -0.05 -0.09 0.10 -0.04 3.26 3.18 3ig4A1 HIS 350 HB3 -0.03 0.03 0.02 -0.04 3.20 3.18 3ig4A1 HIS 350 HD2 -0.10 -0.04 -0.04 -0.04 6.97 6.75 3ig4A1 HIS 350 HE1 -0.36 0.02 -0.15 -0.04 7.75 7.21 3ig4A1 ASP 351 H 0.34 0.64 -0.42 -0.55 8.40 8.41 3ig4A1 ASP 351 HA 0.10 -0.15 -0.11 -0.75 4.63 3.71 3ig4A1 ASP 351 HB2 0.19 0.01 -0.46 -0.04 2.71 2.41 3ig4A1 ASP 351 HB3 0.15 0.12 -0.29 -0.04 2.70 2.64 3ig4A1 VAL 352 H -0.03 -0.03 0.04 -0.55 8.24 7.67 3ig4A1 VAL 352 HA 0.01 0.09 0.40 -0.75 4.13 3.88 3ig4A1 VAL 352 HB -0.19 -0.10 0.06 -0.04 2.12 1.85 3ig4A1 VAL 352 HG13 -0.00 -0.02 -0.01 -0.04 0.97 0.90 3ig4A1 VAL 352 HG23 -0.21 0.02 -0.10 -0.04 0.95 0.62 3ig4A1 GLY 353 H -0.14 -0.02 -0.00 -0.55 8.43 7.72 3ig4A1 GLY 353 HA2 -0.30 -0.07 0.24 -0.51 4.01 3.37 3ig4A1 GLY 353 HA3 -0.63 0.31 0.70 -0.51 4.01 3.87 3ig4A1 THR 354 H -0.16 0.12 0.08 -0.55 8.28 7.77 3ig4A1 THR 354 HA -0.08 0.06 0.64 -0.75 4.39 4.26 3ig4A1 THR 354 HB 0.00 -0.09 0.08 -0.04 4.32 4.27 3ig4A1 THR 354 HG23 -0.00 0.00 0.03 -0.04 1.22 1.21 3ig4A1 TYR 355 H 0.07 -0.00 0.19 -0.55 8.29 8.00 3ig4A1 TYR 355 HA -0.20 0.26 0.85 -0.75 4.56 4.72 3ig4A1 TYR 355 HB2 -0.08 -0.04 0.07 -0.04 3.06 2.97 3ig4A1 TYR 355 HB3 -0.25 -0.05 0.02 -0.04 2.98 2.65 3ig4A1 TYR 355 HD2 -0.90 -0.06 -0.02 -0.04 7.15 6.12 3ig4A1 TYR 355 HE2 -0.64 0.00 -0.06 -0.04 6.85 6.11 3ig4A1 LYS 356 H 0.09 -0.02 0.11 -0.55 8.42 8.05 3ig4A1 LYS 356 HA 0.09 0.01 0.44 -0.75 4.32 4.10 3ig4A1 LYS 356 HB2 0.07 0.01 0.13 -0.04 1.87 2.03 3ig4A1 LYS 356 HB3 0.06 -0.01 0.16 -0.04 1.79 1.96 3ig4A1 LYS 356 HG2 0.04 0.02 -0.04 -0.04 1.46 1.45 3ig4A1 LYS 356 HG3 0.05 0.07 -0.38 -0.04 1.46 1.16 3ig4A1 LYS 356 HD2 0.05 -0.03 0.02 -0.04 1.69 1.69 3ig4A1 LYS 356 HD3 0.04 0.00 0.01 -0.04 1.68 1.70 3ig4A1 LYS 356 HE2 0.04 0.02 -0.04 -0.04 2.99 2.97 3ig4A1 LYS 356 HE3 0.04 0.00 -0.04 -0.04 2.99 2.95 3ig4A1 ASP 357 H 0.09 0.09 0.24 -0.55 8.40 8.27 3ig4A1 ASP 357 HA 0.08 -0.03 0.34 -0.75 4.63 4.26 3ig4A1 ASP 357 HB2 0.05 0.27 0.06 -0.04 2.71 3.05 3ig4A1 ASP 357 HB3 0.05 -0.00 0.19 -0.04 2.70 2.90 3ig4A1 ARG 358 H 0.10 0.42 -0.37 -0.55 8.46 8.06 3ig4A1 ARG 358 HA 0.08 0.09 0.25 -0.75 4.34 4.01 3ig4A1 ARG 358 HB2 0.03 0.07 -0.12 -0.04 1.90 1.84 3ig4A1 ARG 358 HB3 0.08 -0.07 0.12 -0.04 1.80 1.88 3ig4A1 ARG 358 HG2 0.06 0.01 -0.09 -0.04 1.67 1.61 3ig4A1 ARG 358 HG3 0.16 -0.11 -0.47 -0.04 1.67 1.21 3ig4A1 ARG 358 HD2 0.12 0.05 -0.10 -0.04 3.22 3.25 3ig4A1 ARG 358 HD3 0.09 -0.05 0.02 -0.04 3.22 3.25 3ig4A1 VAL 359 H 0.10 0.23 0.20 -0.55 8.24 8.22 3ig4A1 VAL 359 HA 0.12 0.07 0.95 -0.75 4.13 4.51 3ig4A1 VAL 359 HB 0.07 0.04 -0.15 -0.04 2.12 2.04 3ig4A1 VAL 359 HG13 0.07 0.00 -0.08 -0.04 0.97 0.92 3ig4A1 VAL 359 HG23 0.08 0.03 -0.12 -0.04 0.95 0.89 3ig4A1 LEU 360 H 0.10 0.69 0.16 -0.55 8.37 8.78 3ig4A1 LEU 360 HA 0.12 0.09 0.32 -0.75 4.35 4.12 3ig4A1 LEU 360 HB2 0.08 0.06 0.10 -0.04 1.64 1.84 3ig4A1 LEU 360 HB3 0.08 0.01 -0.16 -0.04 1.64 1.52 3ig4A1 LEU 360 HG 0.12 0.05 -0.06 -0.04 1.64 1.71 3ig4A1 LEU 360 HD13 0.24 0.02 -0.16 -0.04 0.93 0.99 3ig4A1 LEU 360 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.76 3ig4A1 GLU 361 H 0.08 0.31 0.19 -0.55 8.60 8.63 3ig4A1 GLU 361 HA 0.11 0.04 0.68 -0.75 4.29 4.36 3ig4A1 GLU 361 HB2 0.29 0.04 -0.01 -0.04 2.09 2.38 3ig4A1 GLU 361 HB3 0.27 0.04 0.06 -0.04 1.99 2.32 3ig4A1 GLU 361 HG2 0.13 -0.05 0.06 -0.04 2.34 2.43 3ig4A1 GLU 361 HG3 0.14 0.11 -0.48 -0.04 2.34 2.07 3ig4A1 GLU 362 H 0.11 0.09 0.08 -0.55 8.60 8.34 3ig4A1 GLU 362 HA 0.09 0.09 0.11 -0.75 4.29 3.82 3ig4A1 GLU 362 HB2 0.07 0.05 -0.16 -0.04 2.09 2.01 3ig4A1 GLU 362 HB3 0.09 -0.01 0.08 -0.04 1.99 2.11 3ig4A1 GLU 362 HG2 0.08 0.08 -0.26 -0.04 2.34 2.20 3ig4A1 GLU 362 HG3 0.06 -0.06 -0.05 -0.04 2.34 2.26 3ig4A1 GLY 363 H 0.09 0.53 0.30 -0.55 8.43 8.80 3ig4A1 GLY 363 HA2 0.10 -0.02 0.28 -0.51 4.01 3.85 3ig4A1 GLY 363 HA3 0.19 0.20 0.70 -0.51 4.01 4.59 3ig4A1 VAL 365 HA 0.09 -0.02 0.49 -0.75 4.13 3.94 3ig4A1 VAL 365 HB 0.12 0.15 0.26 -0.04 2.12 2.62 3ig4A1 VAL 365 HG13 0.09 -0.03 -0.16 -0.04 0.97 0.83 3ig4A1 VAL 365 HG23 0.08 -0.02 -0.00 -0.04 0.95 0.96 3ig4A1 ILE 366 H 0.07 0.55 0.39 -0.55 8.25 8.71 3ig4A1 ILE 366 HA 0.07 0.25 1.04 -0.75 4.18 4.79 3ig4A1 ILE 366 HB 0.02 -0.02 0.02 -0.04 1.89 1.87 3ig4A1 ILE 366 HG12 0.05 0.02 0.01 -0.04 1.49 1.53 3ig4A1 ILE 366 HG13 -0.00 -0.04 -0.22 -0.04 1.21 0.91 3ig4A1 ILE 366 HG23 0.07 -0.01 -0.24 -0.04 0.93 0.71 3ig4A1 ILE 366 HD13 0.02 -0.02 -0.12 -0.04 0.88 0.73 3ig4A1 THR 367 H -0.17 0.41 0.37 -0.55 8.28 8.33 3ig4A1 THR 367 HA -0.05 0.23 1.18 -0.75 4.39 4.99 3ig4A1 THR 367 HB -0.11 0.04 0.05 -0.04 4.32 4.26 3ig4A1 THR 367 HG23 -0.15 0.02 -0.09 -0.04 1.22 0.96 3ig4A1 ILE 368 H -0.03 0.51 0.36 -0.55 8.25 8.54 3ig4A1 ILE 368 HA -0.04 0.27 0.96 -0.75 4.18 4.61 3ig4A1 ILE 368 HB -0.04 -0.09 0.20 -0.04 1.89 1.91 3ig4A1 ILE 368 HG12 -0.06 -0.05 -0.66 -0.04 1.49 0.67 3ig4A1 ILE 368 HG13 -0.09 -0.03 -0.14 -0.04 1.21 0.91 3ig4A1 ILE 368 HG23 -0.06 -0.00 -0.05 -0.04 0.93 0.78 3ig4A1 ILE 368 HD13 -0.10 0.01 -0.13 -0.04 0.88 0.61 3ig4A1 GLU 369 H 0.04 0.47 0.19 -0.55 8.60 8.75 3ig4A1 GLU 369 HA 0.05 0.37 0.98 -0.75 4.29 4.93 3ig4A1 GLU 369 HB2 0.13 -0.02 -0.01 -0.04 2.09 2.15 3ig4A1 GLU 369 HB3 0.08 -0.05 -0.23 -0.04 1.99 1.75 3ig4A1 GLU 369 HG2 0.06 0.05 -0.25 -0.04 2.34 2.17 3ig4A1 GLU 369 HG3 0.18 0.01 -0.03 -0.04 2.34 2.46 3ig4A1 PRO 370 HA -0.06 0.03 0.52 -0.51 4.44 4.43 3ig4A1 PRO 370 HB2 -0.23 0.03 -0.01 -0.04 2.28 2.03 3ig4A1 PRO 370 HB3 -0.20 -0.02 0.05 -0.04 2.02 1.80 3ig4A1 PRO 370 HG2 -0.11 0.02 0.01 -0.04 2.03 1.91 3ig4A1 PRO 370 HG3 -0.11 -0.02 -0.17 -0.04 2.03 1.69 3ig4A1 PRO 370 HD2 -0.02 0.45 0.16 -0.04 3.68 4.23 3ig4A1 PRO 370 HD3 -0.04 0.02 -0.04 -0.04 3.65 3.54 3ig4A1 GLY 371 H -0.24 0.26 0.24 -0.55 8.43 8.14 3ig4A1 GLY 371 HA2 -0.19 0.07 0.49 -0.51 4.01 3.87 3ig4A1 GLY 371 HA3 -0.06 0.07 0.43 -0.51 4.01 3.94 3ig4A1 LEU 372 H -0.58 0.52 0.31 -0.55 8.37 8.09 3ig4A1 LEU 372 HA -0.28 0.32 0.75 -0.75 4.35 4.39 3ig4A1 LEU 372 HB2 -0.22 -0.07 0.01 -0.04 1.64 1.32 3ig4A1 LEU 372 HB3 -0.17 -0.03 -0.08 -0.04 1.64 1.32 3ig4A1 LEU 372 HG -0.22 0.02 -0.32 -0.04 1.64 1.07 3ig4A1 LEU 372 HD13 -0.16 -0.01 -0.09 -0.04 0.93 0.63 3ig4A1 LEU 372 HD23 -0.06 0.03 -0.03 -0.04 0.89 0.78 3ig4A1 TYR 373 H 0.07 0.70 0.29 -0.55 8.29 8.80 3ig4A1 TYR 373 HA 0.07 0.17 1.04 -0.75 4.56 5.09 3ig4A1 TYR 373 HB2 0.13 0.01 0.13 -0.04 3.06 3.29 3ig4A1 TYR 373 HB3 0.13 -0.01 0.06 -0.04 2.98 3.12 3ig4A1 TYR 373 HD2 -0.21 0.09 -0.09 -0.04 7.15 6.90 3ig4A1 TYR 373 HE2 0.01 -0.03 -0.21 -0.04 6.85 6.58 3ig4A1 ILE 374 H 0.14 0.87 0.23 -0.55 8.25 8.94 3ig4A1 ILE 374 HA 0.38 0.21 1.00 -0.75 4.18 5.02 3ig4A1 ILE 374 HB 0.04 -0.02 0.15 -0.04 1.89 2.02 3ig4A1 ILE 374 HG12 -0.31 0.07 -0.11 -0.04 1.49 1.09 3ig4A1 ILE 374 HG13 -0.01 -0.03 -0.43 -0.04 1.21 0.69 3ig4A1 ILE 374 HG23 0.09 -0.06 -0.09 -0.04 0.93 0.83 3ig4A1 ILE 374 HD13 -0.15 0.00 -0.11 -0.04 0.88 0.58 3ig4A1 GLU 375 H 0.19 0.32 0.13 -0.55 8.60 8.69 3ig4A1 GLU 375 HA 0.09 0.09 0.30 -0.75 4.29 4.02 3ig4A1 GLU 375 HB2 0.09 0.11 0.10 -0.04 2.09 2.35 3ig4A1 GLU 375 HB3 0.07 -0.01 0.16 -0.04 1.99 2.16 3ig4A1 GLU 375 HG2 0.04 -0.01 -0.18 -0.04 2.34 2.15 3ig4A1 GLU 375 HG3 0.04 0.01 0.03 -0.04 2.34 2.38 3ig4A1 GLU 376 H 0.10 0.14 -0.02 -0.55 8.60 8.27 3ig4A1 GLU 376 HA 0.04 0.12 0.39 -0.75 4.29 4.09 3ig4A1 GLU 376 HB2 0.04 0.04 0.13 -0.04 2.09 2.26 3ig4A1 GLU 376 HB3 0.05 0.00 0.10 -0.04 1.99 2.10 3ig4A1 GLU 376 HG2 0.08 0.03 -0.16 -0.04 2.34 2.25 3ig4A1 GLU 376 HG3 0.07 0.05 -0.01 -0.04 2.34 2.40 3ig4A1 GLU 377 H 0.07 0.17 -0.69 -0.55 8.60 7.60 3ig4A1 GLU 377 HA 0.02 0.22 0.91 -0.75 4.29 4.69 3ig4A1 GLU 377 HB2 0.02 0.01 -0.03 -0.04 2.09 2.05 3ig4A1 GLU 377 HB3 0.01 -0.03 0.03 -0.04 1.99 1.96 3ig4A1 GLU 377 HG2 0.01 0.07 -0.09 -0.04 2.34 2.30 3ig4A1 GLU 377 HG3 0.03 -0.07 -0.22 -0.04 2.34 2.04 3ig4A1 SER 378 H 0.04 0.34 -0.08 -0.55 8.46 8.21 3ig4A1 SER 378 HA 0.03 0.02 0.29 -0.75 4.49 4.08 3ig4A1 SER 378 HB2 0.00 0.21 -0.19 -0.04 3.95 3.93 3ig4A1 SER 378 HB3 -0.00 -0.19 0.20 -0.04 3.93 3.89 3ig4A1 ILE 379 H 0.05 0.44 -0.06 -0.55 8.25 8.13 3ig4A1 ILE 379 HA 0.01 0.15 0.86 -0.75 4.18 4.45 3ig4A1 ILE 379 HB 0.01 -0.07 -0.03 -0.04 1.89 1.76 3ig4A1 ILE 379 HG12 0.00 -0.00 -0.05 -0.04 1.49 1.40 3ig4A1 ILE 379 HG13 0.01 0.23 -0.54 -0.04 1.21 0.86 3ig4A1 ILE 379 HG23 0.01 -0.00 -0.27 -0.04 0.93 0.62 3ig4A1 ILE 379 HD13 0.00 -0.03 -0.13 -0.04 0.88 0.68 3ig4A1 GLY 380 H 0.04 0.29 0.05 -0.55 8.43 8.26 3ig4A1 GLY 380 HA2 0.09 0.24 0.82 -0.51 4.01 4.65 3ig4A1 GLY 380 HA3 0.18 0.06 0.03 -0.51 4.01 3.78 3ig4A1 ILE 381 H -0.22 0.64 0.21 -0.55 8.25 8.33 3ig4A1 ILE 381 HA 0.05 0.14 0.82 -0.75 4.18 4.43 3ig4A1 ILE 381 HB -0.11 -0.03 0.01 -0.04 1.89 1.72 3ig4A1 ILE 381 HG12 0.10 0.09 -0.17 -0.04 1.49 1.48 3ig4A1 ILE 381 HG13 0.01 -0.10 -0.57 -0.04 1.21 0.51 3ig4A1 ILE 381 HG23 -0.02 -0.00 -0.21 -0.04 0.93 0.66 3ig4A1 ILE 381 HD13 0.13 -0.03 -0.20 -0.04 0.88 0.75 3ig4A1 ARG 382 H 0.08 0.26 0.08 -0.55 8.46 8.32 3ig4A1 ARG 382 HA 0.00 0.26 0.68 -0.75 4.34 4.52 3ig4A1 ARG 382 HB2 0.26 0.01 -0.17 -0.04 1.90 1.95 3ig4A1 ARG 382 HB3 0.16 -0.05 -0.07 -0.04 1.80 1.80 3ig4A1 ARG 382 HG2 0.13 -0.10 -0.27 -0.04 1.67 1.38 3ig4A1 ARG 382 HG3 0.16 0.32 -0.13 -0.04 1.67 1.98 3ig4A1 ARG 382 HD2 0.12 0.08 -0.14 -0.04 3.22 3.24 3ig4A1 ARG 382 HD3 0.30 -0.04 -0.15 -0.04 3.22 3.28 3ig4A1 ILE 383 H -0.01 0.55 0.08 -0.55 8.25 8.32 3ig4A1 ILE 383 HA 0.02 0.24 0.78 -0.75 4.18 4.47 3ig4A1 ILE 383 HB -0.13 -0.02 0.02 -0.04 1.89 1.71 3ig4A1 ILE 383 HG12 -0.13 0.06 -0.21 -0.04 1.49 1.18 3ig4A1 ILE 383 HG13 -0.20 -0.12 -0.49 -0.04 1.21 0.36 3ig4A1 ILE 383 HG23 -0.07 0.00 -0.04 -0.04 0.93 0.78 3ig4A1 ILE 383 HD13 -0.77 -0.01 -0.10 -0.04 0.88 -0.05 3ig4A1 GLU 384 H 0.08 0.58 0.33 -0.55 8.60 9.04 3ig4A1 GLU 384 HA 0.03 0.55 1.33 -0.75 4.29 5.45 3ig4A1 GLU 384 HB2 0.09 0.02 -0.16 -0.04 2.09 1.99 3ig4A1 GLU 384 HB3 0.11 -0.50 0.19 -0.04 1.99 1.75 3ig4A1 GLU 384 HG2 0.07 0.10 -0.25 -0.04 2.34 2.22 3ig4A1 GLU 384 HG3 0.04 0.02 -0.18 -0.04 2.34 2.18 3ig4A1 ASP 385 H 0.01 0.46 0.42 -0.55 8.40 8.74 3ig4A1 ASP 385 HA 0.05 0.20 1.02 -0.75 4.63 5.15 3ig4A1 ASP 385 HB2 0.00 0.03 0.08 -0.04 2.71 2.78 3ig4A1 ASP 385 HB3 0.02 -0.09 -0.04 -0.04 2.70 2.55 3ig4A1 ASP 386 H 0.04 0.08 0.17 -0.55 8.40 8.14 3ig4A1 ASP 386 HA 0.02 0.29 1.02 -0.75 4.63 5.20 3ig4A1 ASP 386 HB2 0.06 -0.12 0.15 -0.04 2.71 2.75 3ig4A1 ASP 386 HB3 0.06 0.10 0.00 -0.04 2.70 2.83 3ig4A1 ILE 387 H 0.02 0.96 0.41 -0.55 8.25 9.09 3ig4A1 ILE 387 HA 0.04 0.01 1.01 -0.75 4.18 4.49 3ig4A1 ILE 387 HB -0.01 0.06 0.03 -0.04 1.89 1.93 3ig4A1 ILE 387 HG12 -0.03 0.06 -0.16 -0.04 1.49 1.32 3ig4A1 ILE 387 HG13 -0.09 0.04 -0.10 -0.04 1.21 1.02 3ig4A1 ILE 387 HG23 0.01 0.00 -0.22 -0.04 0.93 0.68 3ig4A1 ILE 387 HD13 0.01 -0.03 -0.34 -0.04 0.88 0.48 3ig4A1 LEU 388 H 0.07 0.66 0.43 -0.55 8.37 8.98 3ig4A1 LEU 388 HA 0.07 0.23 0.98 -0.75 4.35 4.87 3ig4A1 LEU 388 HB2 0.05 0.04 0.07 -0.04 1.64 1.75 3ig4A1 LEU 388 HB3 0.06 -0.02 0.21 -0.04 1.64 1.84 3ig4A1 LEU 388 HG 0.06 -0.07 -0.58 -0.04 1.64 1.00 3ig4A1 LEU 388 HD13 0.06 -0.02 0.03 -0.04 0.93 0.96 3ig4A1 LEU 388 HD23 0.03 -0.02 -0.08 -0.04 0.89 0.78 3ig4A1 VAL 389 H 0.07 0.26 0.21 -0.55 8.24 8.24 3ig4A1 VAL 389 HA 0.10 0.21 0.91 -0.75 4.13 4.60 3ig4A1 VAL 389 HB 0.08 0.06 0.17 -0.04 2.12 2.38 3ig4A1 VAL 389 HG13 0.08 0.00 -0.35 -0.04 0.97 0.66 3ig4A1 VAL 389 HG23 0.08 -0.00 -0.07 -0.04 0.95 0.92 3ig4A1 THR 390 H 0.07 0.64 0.11 -0.55 8.28 8.55 3ig4A1 THR 390 HA 0.05 0.19 0.79 -0.75 4.39 4.66 3ig4A1 THR 390 HB 0.02 -0.12 0.05 -0.04 4.32 4.22 3ig4A1 THR 390 HG23 0.03 0.03 -0.27 -0.04 1.22 0.97 3ig4A1 LYS 391 H 0.03 0.14 0.12 -0.55 8.42 8.15 3ig4A1 LYS 391 HA 0.04 0.07 0.37 -0.75 4.32 4.04 3ig4A1 LYS 391 HB2 0.02 0.00 0.15 -0.04 1.87 2.00 3ig4A1 LYS 391 HB3 0.01 -0.04 0.11 -0.04 1.79 1.83 3ig4A1 LYS 391 HG2 0.01 0.04 -0.12 -0.04 1.46 1.36 3ig4A1 LYS 391 HG3 0.02 0.02 0.08 -0.04 1.46 1.53 3ig4A1 LYS 391 HD2 0.01 -0.01 0.03 -0.04 1.69 1.68 3ig4A1 LYS 391 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.62 3ig4A1 LYS 391 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 3ig4A1 LYS 391 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 3ig4A1 ASP 392 H 0.01 -0.08 -0.26 -0.55 8.40 7.52 3ig4A1 ASP 392 HA 0.01 0.27 0.94 -0.75 4.63 5.10 3ig4A1 ASP 392 HB2 -0.00 0.04 0.14 -0.04 2.71 2.84 3ig4A1 ASP 392 HB3 0.00 0.04 -0.08 -0.04 2.70 2.62 3ig4A1 GLY 393 H 0.01 -0.02 -0.21 -0.55 8.43 7.67 3ig4A1 GLY 393 HA2 0.03 0.23 0.47 -0.51 4.01 4.23 3ig4A1 GLY 393 HA3 -0.08 0.00 0.52 -0.51 4.01 3.94 3ig4A1 HIS 394 H -0.37 0.26 0.23 -0.55 8.41 7.98 3ig4A1 HIS 394 HA 0.02 0.11 0.93 -0.75 4.63 4.93 3ig4A1 HIS 394 HB2 0.01 -0.04 0.03 -0.04 3.26 3.21 3ig4A1 HIS 394 HB3 0.01 0.10 -0.18 -0.04 3.20 3.09 3ig4A1 HIS 394 HD2 0.00 -0.18 -0.29 -0.04 6.97 6.46 3ig4A1 HIS 394 HE1 -0.02 0.17 0.05 -0.04 7.75 7.91 3ig4A1 GLU 395 H 0.13 0.66 0.28 -0.55 8.60 9.12 3ig4A1 GLU 395 HA 0.05 0.14 0.74 -0.75 4.29 4.46 3ig4A1 GLU 395 HB2 0.02 0.01 -0.07 -0.04 2.09 2.01 3ig4A1 GLU 395 HB3 0.05 -0.03 0.10 -0.04 1.99 2.06 3ig4A1 GLU 395 HG2 0.04 0.01 -0.35 -0.04 2.34 2.00 3ig4A1 GLU 395 HG3 0.02 0.02 0.00 -0.04 2.34 2.34 3ig4A1 ASN 396 H 0.11 0.20 0.05 -0.55 8.53 8.35 3ig4A1 ASN 396 HA 0.07 0.12 0.72 -0.75 4.76 4.91 3ig4A1 ASN 396 HB2 0.09 0.08 0.05 -0.04 2.88 3.06 3ig4A1 ASN 396 HB3 0.07 0.00 0.19 -0.04 2.79 3.01 3ig4A1 ASN 396 HD21 0.04 0.10 -0.17 -0.04 7.03 6.95 3ig4A1 ASN 396 HD22 0.04 0.04 -0.04 -0.04 7.74 7.74 3ig4A1 LEU 397 H 0.05 0.52 0.46 -0.55 8.37 8.85 3ig4A1 LEU 397 HA 0.03 0.02 0.32 -0.75 4.35 3.97 3ig4A1 LEU 397 HB2 0.04 0.16 0.15 -0.04 1.64 1.96 3ig4A1 LEU 397 HB3 0.03 -0.04 0.08 -0.04 1.64 1.67 3ig4A1 LEU 397 HG 0.05 0.02 0.10 -0.04 1.64 1.77 3ig4A1 LEU 397 HD13 0.04 0.00 -0.11 -0.04 0.93 0.82 3ig4A1 LEU 397 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.81 3ig4A1 SER 398 H 0.04 0.09 -0.35 -0.55 8.46 7.69 3ig4A1 SER 398 HA 0.03 0.23 0.90 -0.75 4.49 4.90 3ig4A1 SER 398 HB2 0.05 0.06 0.23 -0.04 3.95 4.25 3ig4A1 SER 398 HB3 0.05 0.04 0.03 -0.04 3.93 4.00 3ig4A1 LYS 399 H 0.04 0.42 -0.24 -0.55 8.42 8.09 3ig4A1 LYS 399 HA 0.05 0.10 0.35 -0.75 4.32 4.07 3ig4A1 LYS 399 HB2 0.04 -0.01 0.06 -0.04 1.87 1.92 3ig4A1 LYS 399 HB3 0.05 -0.01 0.12 -0.04 1.79 1.91 3ig4A1 LYS 399 HG2 0.04 0.07 0.05 -0.04 1.46 1.57 3ig4A1 LYS 399 HG3 0.04 0.00 -0.17 -0.04 1.46 1.29 3ig4A1 LYS 399 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.63 3ig4A1 LYS 399 HD3 0.04 -0.03 0.04 -0.04 1.68 1.69 3ig4A1 LYS 399 HE2 0.02 0.04 -0.01 -0.04 2.99 3.01 3ig4A1 LYS 399 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 3ig4A1 ASP 400 H 0.04 0.10 -0.25 -0.55 8.40 7.74 3ig4A1 ASP 400 HA 0.06 0.05 0.30 -0.75 4.63 4.28 3ig4A1 ASP 400 HB2 0.02 0.01 0.00 -0.04 2.71 2.70 3ig4A1 ASP 400 HB3 0.05 0.01 -0.01 -0.04 2.70 2.71 3ig4A1 ILE 401 H 0.06 0.26 -0.54 -0.55 8.25 7.48 3ig4A1 ILE 401 HA 0.11 0.01 0.52 -0.75 4.18 4.06 3ig4A1 ILE 401 HB 0.12 0.11 0.11 -0.04 1.89 2.18 3ig4A1 ILE 401 HG12 -0.13 -0.03 -0.02 -0.04 1.49 1.28 3ig4A1 ILE 401 HG13 -0.00 -0.10 -0.03 -0.04 1.21 1.04 3ig4A1 ILE 401 HG23 0.22 0.02 -0.13 -0.04 0.93 1.00 3ig4A1 ILE 401 HD13 0.02 0.01 0.00 -0.04 0.88 0.87 3ig4A1 ILE 402 H 0.27 0.11 0.18 -0.55 8.25 8.26 3ig4A1 ILE 402 HA 0.12 0.02 0.37 -0.75 4.18 3.94 3ig4A1 ILE 402 HB 0.09 -0.14 -0.06 -0.04 1.89 1.74 3ig4A1 ILE 402 HG12 0.06 0.01 0.12 -0.04 1.49 1.64 3ig4A1 ILE 402 HG13 0.17 0.01 -0.01 -0.04 1.21 1.34 3ig4A1 ILE 402 HG23 0.08 0.03 0.05 -0.04 0.93 1.06 3ig4A1 ILE 402 HD13 -0.20 0.00 -0.14 -0.04 0.88 0.50 3ig4A1 ARG 403 H 0.10 -0.06 0.23 -0.55 8.46 8.17 3ig4A1 ARG 403 HA 0.08 0.30 0.96 -0.75 4.34 4.93 3ig4A1 ARG 403 HB2 0.06 -0.07 0.05 -0.04 1.90 1.89 3ig4A1 ARG 403 HB3 0.05 -0.04 0.03 -0.04 1.80 1.80 3ig4A1 ARG 403 HG2 0.10 0.29 -0.13 -0.04 1.67 1.88 3ig4A1 ARG 403 HG3 0.05 -0.05 -0.05 -0.04 1.67 1.58 3ig4A1 ARG 403 HD2 -0.00 -0.08 -0.01 -0.04 3.22 3.09 3ig4A1 ARG 403 HD3 0.14 0.15 -0.29 -0.04 3.22 3.18 3ig4A1 GLU 404 H 0.07 -0.03 0.15 -0.55 8.60 8.24 3ig4A1 GLU 404 HA 0.07 0.13 0.36 -0.75 4.29 4.09 3ig4A1 GLU 404 HB2 0.03 -0.08 0.12 -0.04 2.09 2.13 3ig4A1 GLU 404 HB3 0.01 -0.07 0.12 -0.04 1.99 2.01 3ig4A1 GLU 404 HG2 0.04 -0.00 0.13 -0.04 2.34 2.46 3ig4A1 GLU 404 HG3 0.02 0.06 0.07 -0.04 2.34 2.45 3ig4A1 VAL 405 H -0.07 0.18 0.20 -0.55 8.24 8.00 3ig4A1 VAL 405 HA -0.35 0.20 0.45 -0.75 4.13 3.68 3ig4A1 VAL 405 HB -0.18 -0.05 0.16 -0.04 2.12 2.01 3ig4A1 VAL 405 HG13 -0.35 0.01 -0.09 -0.04 0.97 0.51 3ig4A1 VAL 405 HG23 -0.61 0.03 0.10 -0.04 0.95 0.43 3ig4A1 GLU 406 H -0.03 0.06 -0.08 -0.55 8.60 8.01 3ig4A1 GLU 406 HA 0.02 0.00 0.44 -0.75 4.29 4.00 3ig4A1 GLU 406 HB2 0.01 -0.00 -0.01 -0.04 2.09 2.05 3ig4A1 GLU 406 HB3 0.01 0.00 0.04 -0.04 1.99 2.00 3ig4A1 GLU 406 HG2 -0.00 0.00 0.02 -0.04 2.34 2.32 3ig4A1 GLU 406 HG3 -0.02 0.01 0.03 -0.04 2.34 2.32 3ig4A1 GLU 407 H 0.03 0.01 -0.36 -0.55 8.60 7.73 3ig4A1 GLU 407 HA 0.06 0.10 0.34 -0.75 4.29 4.04 3ig4A1 GLU 407 HB2 0.07 0.06 0.00 -0.04 2.09 2.18 3ig4A1 GLU 407 HB3 0.07 0.08 -0.02 -0.04 1.99 2.07 3ig4A1 GLU 407 HG2 0.05 0.08 0.01 -0.04 2.34 2.43 3ig4A1 GLU 407 HG3 0.04 -0.13 0.02 -0.04 2.34 2.23 3ig4A1 ILE 408 H 0.09 0.38 -0.29 -0.55 8.25 7.88 3ig4A1 ILE 408 HA 0.13 0.09 0.44 -0.75 4.18 4.09 3ig4A1 ILE 408 HB 0.23 -0.03 0.11 -0.04 1.89 2.16 3ig4A1 ILE 408 HG12 0.24 0.03 -0.09 -0.04 1.49 1.62 3ig4A1 ILE 408 HG13 0.12 -0.05 -0.24 -0.04 1.21 1.00 3ig4A1 ILE 408 HG23 0.22 0.01 -0.15 -0.04 0.93 0.97 3ig4A1 ILE 408 HD13 0.02 -0.00 -0.06 -0.04 0.88 0.80 3ig4A1 GLU 409 H 0.15 0.36 -0.00 -0.55 8.60 8.56 3ig4A1 GLU 409 HA 0.11 0.18 0.44 -0.75 4.29 4.27 3ig4A1 GLU 409 HB2 0.09 -0.07 0.19 -0.04 2.09 2.26 3ig4A1 GLU 409 HB3 0.08 0.03 0.10 -0.04 1.99 2.16 3ig4A1 GLU 409 HG2 0.16 0.16 0.10 -0.04 2.34 2.72 3ig4A1 GLU 409 HG3 0.30 0.02 0.14 -0.04 2.34 2.76 3ig4A1 GLU 410 H 0.09 0.28 -0.41 -0.55 8.60 8.01 3ig4A1 GLU 410 HA 0.03 0.02 0.43 -0.75 4.29 4.02 3ig4A1 GLU 410 HB2 0.04 -0.09 0.08 -0.04 2.09 2.08 3ig4A1 GLU 410 HB3 0.07 0.03 0.16 -0.04 1.99 2.20 3ig4A1 GLU 410 HG2 0.04 -0.09 -0.05 -0.04 2.34 2.19 3ig4A1 GLU 410 HG3 0.03 0.06 -0.36 -0.04 2.34 2.03 3ig4A1 PHE 411 H 0.19 0.48 -0.13 -0.55 8.34 8.33 3ig4A1 PHE 411 HA -0.06 -0.05 0.26 -0.75 4.62 4.01 3ig4A1 PHE 411 HB2 -0.10 -0.04 0.14 -0.04 3.15 3.11 3ig4A1 PHE 411 HB3 -0.06 0.14 0.20 -0.04 3.06 3.30 3ig4A1 PHE 411 HD2 -0.18 0.04 0.00 -0.04 7.28 7.10 3ig4A1 PHE 411 HE2 -0.26 0.01 -0.04 -0.04 7.38 7.05 3ig4A1 PHE 411 HZ -0.17 0.02 -0.00 -0.04 7.32 7.12 3ig4A1 ARG 413 HA -0.02 -0.10 0.36 -0.75 4.34 3.82 3ig4A1 ARG 413 HB2 0.01 0.19 0.23 -0.04 1.90 2.29 3ig4A1 ARG 413 HB3 -0.02 0.01 0.14 -0.04 1.80 1.89 3ig4A1 ARG 413 HG2 -0.02 -0.04 -0.09 -0.04 1.67 1.49 3ig4A1 ARG 413 HG3 -0.01 -0.04 0.07 -0.04 1.67 1.65 3ig4A1 ARG 413 HD2 -0.00 -0.06 -0.00 -0.04 3.22 3.11 3ig4A1 ARG 413 HD3 0.01 -0.00 0.03 -0.04 3.22 3.21 3ig4A1 GLU 414 H -0.10 0.64 -0.39 -0.55 8.60 8.21 3ig4A1 GLU 414 HA -0.09 -0.03 0.46 -0.75 4.29 3.87 3ig4A1 GLU 414 HB2 -0.19 0.11 0.09 -0.04 2.09 2.06 3ig4A1 GLU 414 HB3 -0.18 -0.08 -0.02 -0.04 1.99 1.67 3ig4A1 GLU 414 HG2 -0.07 -0.07 0.03 -0.04 2.34 2.20 3ig4A1 GLU 414 HG3 -0.06 0.02 0.01 -0.04 2.34 2.27 3ig4A1 ASN 415 H -0.29 0.45 0.29 -0.55 8.53 8.43 3ig4A1 ASN 415 HA -0.22 0.14 0.90 -0.75 4.76 4.82 3ig4A1 ASN 415 HB2 -0.86 0.16 0.07 -0.04 2.88 2.20 3ig4A1 ASN 415 HB3 -0.38 -0.08 0.05 -0.04 2.79 2.34 3ig4A1 ASN 415 HD21 -0.25 -0.08 -0.06 -0.04 7.03 6.60 3ig4A1 ASN 415 HD22 -0.23 0.01 0.01 -0.04 7.74 7.49 3ig4A1 ASN 416 H -0.12 0.16 -0.11 -0.55 8.53 7.91 3ig4A1 ASN 416 HA -0.10 0.32 0.78 -0.75 4.76 5.01 3ig4A1 ASN 416 HB2 0.00 0.09 -0.02 -0.04 2.88 2.91 3ig4A1 ASN 416 HB3 -0.01 -0.05 -0.01 -0.04 2.79 2.68 3ig4A1 ASN 416 HD21 0.06 0.37 -0.24 -0.04 7.03 7.18 3ig4A1 ASN 416 HD22 0.07 0.32 0.01 -0.04 7.74 8.09 3ig4A1 VAL 417 H -0.13 0.35 0.27 -0.55 8.24 8.18 3ig4A1 VAL 417 HA -0.06 0.01 0.34 -0.75 4.13 3.67 3ig4A1 VAL 417 HB -0.06 -0.01 0.05 -0.04 2.12 2.07 3ig4A1 VAL 417 HG13 -0.04 -0.03 0.00 -0.04 0.97 0.86 3ig4A1 VAL 417 HG23 -0.15 0.05 0.16 -0.04 0.95 0.98 3ig4A1 ASN 418 H -0.03 0.17 -0.44 -0.55 8.53 7.68 3ig4A1 ASN 418 HA -0.01 0.17 0.95 -0.75 4.76 5.11 3ig4A1 ASN 418 HB2 0.00 -0.04 0.17 -0.04 2.88 2.98 3ig4A1 ASN 418 HB3 -0.00 -0.04 -0.01 -0.04 2.79 2.69 3ig4A1 ASN 418 HD21 0.03 0.09 -0.08 -0.04 7.03 7.02 3ig4A1 ASN 418 HD22 0.01 -0.07 -0.04 -0.04 7.74 7.60 3ig4A1 VAL 419 H -0.02 0.33 -0.22 -0.55 8.24 7.78 3ig4A1 VAL 419 HA -0.00 0.12 0.52 -0.75 4.13 4.02 3ig4A1 VAL 419 HB -0.01 0.15 0.06 -0.04 2.12 2.28 3ig4A1 VAL 419 HG13 0.00 -0.01 0.09 -0.04 0.97 1.02 3ig4A1 VAL 419 HG23 0.01 -0.01 -0.24 -0.04 0.95 0.67